#DEFINITION	Reference Metabolome for Taraxacum mongolicum
#IDENTTFIER	RefMeta-Taraxacum mongolicum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Taraxacum mongolicum
#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 Taraxacum mongolicum 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	999.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57163	0.7
71.01256	32.5
71.58298	0.8
71.58667	0.8
72.99187	3.6
73.02821	5.8
75.00754	13.0
82.51619	1.0
83.01266	4.0
85.02821	21.2
85.99975	2.5
87.00756	10.9
87.04386	2.1
89.02324	7.0
95.01254	5.5
96.95882	4.3
97.02814	1.7
97.97056	0.7
99.00759	14.2
99.04362	0.8
101.02324	12.7
103.03922	2.7
112.01553	1.0
113.02332	18.1
115.03923	2.5
119.03432	1.5
125.02302	0.8
125.65416	0.7
131.03387	6.2
133.02882	1.8
139.00296	1.9
143.03384	6.7
145.04973	0.9
149.55859	0.9
156.82747	0.8
157.01277	1.8
161.04407	1.3
163.06049	2.6
175.35564	0.8
177.01831	0.9
191.05521	1.0
205.07143	3.8
320.77377	0.8
391.30164	4.0
435.29053	0.8
464.21982	0.8
570.22638	0.9
640.29602	0.9
949.43506	1.5
967.45441	100.0
968.45544	14.5
999.48230	23.2
1000.48187	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	997.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	0.2
70.04969	0.2
70.05313	0.6
71.01256	21.8
72.01599	0.3
72.99183	2.6
73.02818	2.5
73.36006	0.1
75.00749	14.9
83.01265	2.4
85.02826	8.1
85.99967	0.4
86.03187	0.2
87.00760	2.0
89.02319	8.6
95.01265	4.2
95.01882	0.2
96.95892	0.4
97.02835	0.4
98.20521	0.2
99.00760	14.5
100.01096	0.2
101.02325	9.8
111.00748	0.4
112.01542	0.6
113.02332	7.0
114.02668	0.2
115.00267	0.6
119.03392	2.2
129.01842	0.3
131.03398	0.4
139.00269	0.7
143.03400	0.4
149.04536	0.2
151.03949	0.1
157.01343	1.3
161.04492	0.9
179.05513	0.4
264.24008	0.1
279.07101	0.1
337.08047	0.1
349.43588	0.1
405.31631	0.1
407.33078	0.4
423.32587	0.4
437.34402	0.7
453.33829	2.1
454.34064	0.2
455.35321	5.4
456.35663	0.4
467.35410	0.2
467.62122	0.2
481.36737	0.2
483.34601	0.2
497.36313	2.5
523.37903	5.5
524.37860	0.7
537.36432	0.2
551.37433	0.9
569.38452	9.3
570.38843	1.2
583.40466	0.4
587.39642	1.7
588.39746	0.3
595.35925	0.2
613.37500	3.2
614.37488	0.4
659.41553	0.6
725.29974	0.2
731.43811	2.5
732.45233	0.2
749.44916	0.5
789.84650	0.2
793.43750	9.3
794.43945	1.2
817.43262	0.8
835.45154	1.3
953.46521	0.7
954.48120	0.2
997.50177	100.0
998.50476	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	997.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	18.5
71.57405	0.8
72.99176	2.0
73.02813	1.6
75.00745	12.1
83.01256	1.9
85.02815	6.6
87.00758	0.9
89.02315	7.2
91.18156	0.5
95.01260	2.6
96.95870	1.1
99.00747	12.3
101.02322	8.7
111.00748	0.5
113.02322	5.2
115.00186	0.5
119.03353	1.6
133.02805	0.5
139.00298	0.7
157.01343	0.9
161.04489	0.6
210.56851	0.5
211.13284	0.6
229.14476	0.5
236.03218	0.5
285.19003	0.5
329.23334	2.1
453.33786	1.8
455.35162	4.6
497.36523	2.4
523.38080	4.8
551.37054	1.4
569.38464	8.4
570.38867	1.1
587.39313	1.8
613.28442	0.6
613.37024	2.6
659.42102	0.8
731.43555	1.6
793.43945	5.4
794.44269	1.1
817.44043	1.0
835.44861	0.8
883.60706	0.6
997.50079	100.0
998.50330	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	997.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25981	19.6
71.01250	5.6
85.02780	2.1
87.00745	3.8
89.02310	4.6
96.95879	5.8
98.20546	4.0
101.02303	4.9
110.76669	1.7
113.02275	2.4
121.02885	2.0
132.04434	3.2
200.09462	3.2
211.08627	6.0
213.10240	2.6
214.10966	2.6
215.11867	21.5
222.07933	2.1
223.08636	2.3
224.09483	12.1
225.06673	2.8
226.10931	2.5
227.11827	7.8
229.13402	10.1
237.06654	4.7
237.10318	4.8
238.07304	2.2
239.08223	14.7
239.11879	24.6
241.06332	2.0
241.09583	2.2
243.11296	3.8
247.08640	2.4
249.10385	4.1
251.08156	5.2
252.09009	17.1
253.06171	2.0
253.09741	3.6
256.12109	5.3
257.12936	48.3
258.13275	3.0
262.07336	2.4
263.08157	4.1
265.06589	3.2
265.09772	21.3
267.07840	3.2
267.11404	47.3
268.11664	2.2
269.12924	6.4
275.08124	10.4
276.09082	2.1
277.06686	2.3
277.09729	12.8
278.07053	3.3
279.07703	9.4
280.08365	4.6
281.05814	3.5
285.12494	2.4
289.06284	1.8
291.07755	8.8
292.08401	3.4
293.09308	39.9
294.09485	3.0
295.10858	32.0
296.10873	2.0
297.08636	2.0
306.06436	3.2
311.10440	20.8
313.11676	4.4
319.07214	3.7
321.08875	11.4
337.08066	3.4
353.11459	2.3
401.08725	2.4
429.13376	2.0
501.15161	3.3
533.18951	2.0
535.19556	3.7
563.19208	3.4
577.20880	2.0
730.24353	2.5
741.27356	2.8
743.25598	5.5
757.26361	2.6
759.28900	22.9
760.30072	2.6
767.25079	2.6
775.28503	4.6
785.26990	28.5
786.26093	3.2
803.28204	7.9
817.29340	7.5
835.30267	32.3
836.30725	3.8
921.33698	2.1
947.32446	8.9
965.33075	100.0
966.33099	20.6
979.33783	2.3
997.35736	33.9
998.35663	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	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31049	1.2
78.95772	26.2
84.16575	0.1
96.95892	0.2
96.96821	1.4
98.19774	0.3
119.42783	0.1
122.00011	0.3
131.33652	0.1
136.74940	0.1
140.01079	2.2
152.98296	0.2
152.99493	4.4
171.00546	4.4
183.53828	0.2
196.03641	1.1
214.04790	3.0
261.22220	0.5
279.23264	100.0
280.23605	5.4
280.26743	0.2
402.24207	1.0
403.24753	0.1
476.27786	69.7
477.28143	5.1
477.35028	0.3
557.14172	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29692	8.5
69.30116	6.7
70.63295	1.6
71.01258	5.2
72.35950	1.4
79.56924	1.4
87.00748	7.3
89.02317	3.6
96.95883	2.6
98.20549	3.1
101.02282	4.7
113.02305	3.9
119.03350	1.8
127.33353	1.4
127.39271	1.5
127.48575	1.8
132.04390	1.8
133.16583	1.8
133.20282	1.5
136.07510	1.7
143.15446	1.5
156.83263	1.5
161.04538	1.7
200.09413	3.4
210.33093	1.4
211.08633	2.0
213.10133	1.9
214.11136	2.4
215.11855	12.8
224.09450	6.7
227.11923	3.8
229.13411	9.4
237.10281	2.7
239.08194	8.2
239.11870	12.1
242.10522	2.1
243.11278	2.3
248.35062	1.6
249.06581	1.9
249.10320	3.9
251.08226	4.5
252.08948	11.9
257.12933	34.1
258.13333	1.9
263.08167	2.4
265.09830	10.9
267.11362	31.0
268.11630	2.9
275.08215	6.3
277.07050	1.5
277.09750	7.8
278.08014	6.1
279.07700	10.2
280.08420	3.5
281.05820	5.3
285.12360	2.7
291.07700	6.5
292.08209	1.6
293.09268	38.9
294.09543	2.0
295.10870	30.0
296.11011	2.2
309.05206	1.7
311.10306	6.4
321.08832	7.6
426.14847	3.7
454.13461	3.2
496.73383	1.8
498.52054	1.7
514.02002	1.8
519.20782	2.2
522.21014	1.8
537.21405	10.5
543.20459	1.6
547.19702	2.2
561.21283	2.8
563.19025	2.1
607.11035	1.7
613.22925	5.7
650.06219	1.7
658.61151	1.7
903.32935	18.7
921.34149	100.0
922.34882	13.5
965.32947	7.8
997.35547	17.2
998.36536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57944	0.3
78.95773	24.4
84.45306	0.2
87.12515	0.2
108.52616	0.2
122.00008	0.9
129.23676	0.2
134.98398	0.3
140.01076	5.7
152.99487	2.1
166.02652	0.3
177.57475	0.2
185.28336	0.2
196.03716	10.5
214.04793	2.0
254.16827	0.2
261.22223	0.6
279.23264	100.0
280.23615	5.9
280.26733	0.4
408.00436	0.2
476.27798	89.0
477.28143	5.9
599.57861	0.2
776.20117	0.2
815.64105	0.2
921.38409	0.2
949.13446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.251
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07135	1.1
71.01246	7.8
72.99168	0.8
73.02810	0.8
79.95602	3.0
80.96380	1.0
82.23729	0.2
83.01254	0.8
85.02816	2.6
87.00748	0.8
89.02303	6.1
89.20400	0.2
95.01270	0.4
96.95883	51.3
101.02312	6.5
113.02322	3.1
114.38747	0.2
119.03388	2.8
131.03195	0.2
138.96953	0.8
143.03375	0.4
159.11729	0.4
179.05566	0.4
217.12236	1.5
235.13321	1.4
236.13622	0.3
241.00171	2.7
245.11703	0.4
285.21417	0.2
325.07462	0.7
397.18796	1.3
505.13821	100.0
506.14117	7.2
595.02087	0.3
915.85803	0.3
925.76892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.5
70.30112	1.2
71.01254	46.4
72.01597	0.9
72.46191	0.4
72.99184	2.2
73.02818	33.1
74.03157	0.4
75.00739	1.6
81.03331	0.5
83.01257	14.3
84.01591	0.3
85.02823	12.9
86.92803	0.3
87.00752	2.0
89.02316	20.9
92.40779	0.3
95.01263	4.5
96.95898	1.4
97.02827	1.3
99.00768	1.1
101.02320	60.9
102.02629	0.5
113.02328	39.7
114.02634	0.6
117.31292	0.4
117.32217	0.3
119.03383	12.7
119.04240	0.6
121.06503	0.7
123.34077	0.3
125.02324	2.2
131.03394	6.7
137.09615	8.0
143.03398	8.4
143.04535	0.4
147.02863	1.0
149.04454	14.9
149.09589	0.4
150.04785	0.4
155.03386	1.0
161.04463	25.8
162.04723	0.5
166.02551	0.6
168.23520	0.3
171.78287	0.3
179.05534	2.2
189.12740	3.5
191.05519	0.4
195.13844	5.5
196.14116	0.4
197.71490	0.3
203.05556	4.0
207.13882	1.3
213.14903	2.0
221.06595	9.0
222.06989	0.4
357.19177	1.8
369.19028	0.6
375.20209	100.0
376.20633	5.0
399.20251	0.5
411.15598	0.5
411.20349	4.3
417.15469	0.5
417.20743	0.7
455.15668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	4.1
69.39161	2.8
69.39574	0.8
71.01254	100.0
72.01586	0.8
72.99187	4.4
73.02820	88.5
74.03164	0.7
75.00388	0.4
75.00742	2.2
81.03330	1.0
83.01257	37.4
83.04865	0.5
84.01585	0.6
84.02029	0.4
85.02820	13.4
87.00751	19.8
89.02316	26.2
90.33718	0.4
95.01257	4.3
96.95879	3.0
97.02842	2.3
99.00765	1.4
101.02322	91.0
102.02676	1.1
111.00761	0.6
113.02332	39.0
114.02676	0.8
115.03842	0.6
117.01822	0.5
119.03390	12.8
125.02348	4.8
125.06033	0.6
129.01831	1.2
131.03401	10.1
141.01866	1.0
143.03403	11.0
147.02908	0.6
149.04462	17.5
155.03374	2.4
161.04463	31.9
162.04823	0.6
167.14401	1.4
177.12752	0.5
179.05530	5.5
179.14384	0.9
180.68542	0.6
181.12526	0.5
183.13850	5.7
189.12889	0.6
191.14395	1.3
193.15829	0.6
195.13860	7.5
196.14267	0.4
197.04659	0.4
197.15358	1.3
203.05542	4.8
207.13815	0.8
209.15446	2.6
213.14905	63.3
214.15279	2.5
221.06610	9.2
227.16463	6.1
237.14978	2.9
249.14870	1.4
255.15981	5.6
267.16049	1.9
315.18051	0.6
323.09836	15.1
340.01126	0.4
341.10876	53.4
342.11160	2.1
375.20163	0.7
411.20410	1.1
505.13754	0.8
529.33130	0.5
537.25525	31.0
538.26135	2.7
870.91669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99679	1.1
69.03336	0.5
71.01252	18.5
72.99170	2.6
73.02819	5.2
75.00745	8.5
80.71085	0.3
81.03326	0.4
83.01247	1.8
84.49376	0.4
85.02818	15.3
85.99950	1.4
87.00752	6.0
87.04375	1.4
89.02316	5.0
91.60514	0.3
95.01253	3.9
96.95888	1.2
97.02817	0.6
99.00751	9.1
99.01409	0.5
99.04353	0.4
101.02313	8.2
103.03879	2.2
112.01537	1.2
113.01508	0.5
113.02320	10.0
114.32430	0.4
115.00370	0.3
115.03883	1.5
119.03378	1.6
123.63506	0.3
125.02351	0.4
127.03903	0.4
131.03404	4.3
135.04364	0.4
139.00252	0.9
143.03391	5.1
145.04913	0.9
155.03404	0.3
157.01288	1.1
161.04454	1.0
163.06007	2.0
191.95102	0.3
205.07095	3.9
238.76678	0.4
258.50064	0.4
269.04523	1.4
513.37213	0.3
539.17902	0.4
579.96600	0.3
744.57886	0.4
955.48987	100.0
956.49280	16.1
956.69098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99722	1.2
69.03319	0.7
71.01253	19.6
72.01574	0.5
72.99175	2.4
73.02818	5.1
75.00743	9.7
83.01251	3.1
85.02824	17.2
85.99984	1.0
87.00746	7.9
87.04383	1.2
89.02316	6.9
95.01267	3.7
96.95898	2.5
97.02856	0.9
99.00756	11.9
101.02325	9.3
103.03861	2.4
111.83163	0.6
112.01562	1.4
113.02330	11.3
115.03880	1.7
119.03417	1.2
125.02309	0.8
131.03423	4.3
135.04442	0.5
139.00226	1.0
143.03392	6.5
145.04962	1.1
157.01276	1.3
161.04507	1.5
163.06010	1.2
165.01825	0.5
175.03912	0.6
191.03404	0.5
191.05440	0.7
192.22925	0.5
204.99432	0.6
205.07103	4.3
257.06842	0.6
373.05597	0.6
423.32724	1.2
471.34882	0.9
649.39203	3.5
650.39783	0.6
740.75415	0.6
845.31531	0.6
937.47424	0.9
946.03741	0.6
955.49084	100.0
956.49249	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	991.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94616	0.4
68.99673	1.3
69.03327	0.6
69.85990	1.1
69.86396	1.1
71.01247	18.7
72.99172	2.8
73.02818	5.4
75.00742	9.3
77.81106	0.3
83.01259	2.4
85.02820	16.1
85.99957	1.1
87.00746	7.6
87.04378	1.7
89.02312	5.9
95.01250	3.5
96.95866	2.2
97.02835	0.8
99.00748	11.0
101.02319	8.6
103.03908	2.1
112.01536	0.7
113.02329	11.6
115.03860	2.2
119.03344	1.2
125.02299	0.7
125.96136	0.4
128.08609	0.4
131.03368	3.9
139.00261	1.3
143.03392	5.1
145.04964	0.5
157.01297	1.1
161.04419	1.0
163.06032	2.2
191.05487	0.7
205.07104	3.9
205.29778	0.4
251.90491	0.4
279.76199	0.4
297.82608	0.4
405.12543	0.4
423.32617	1.7
424.32574	0.5
471.34634	0.6
543.06110	0.4
649.39368	2.8
708.08673	0.6
915.47705	0.5
937.47430	0.7
955.48987	100.0
956.49078	14.8
956.68811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	5.9
71.58124	0.9
73.02828	2.2
81.03342	1.0
83.01264	1.7
85.02806	2.5
89.02298	1.1
93.03334	2.7
96.95889	11.3
96.96545	0.9
96.96755	0.7
97.02809	0.9
99.00735	1.0
101.02316	6.3
106.03574	0.5
106.04118	22.4
107.04907	64.3
108.02043	9.4
108.05251	2.2
113.02296	3.6
117.03327	1.1
119.04913	3.4
119.65975	0.6
121.02822	2.2
123.04394	9.1
125.02332	2.9
129.02776	0.7
130.04105	1.0
131.04909	6.0
132.02080	0.8
133.02844	39.4
134.03207	1.1
135.01753	0.7
135.04401	2.2
138.03114	3.0
143.04907	1.2
145.02898	0.9
147.04404	3.3
149.02357	1.0
149.05972	1.7
150.03156	1.5
151.03909	30.0
161.04494	2.0
161.06006	2.6
163.03912	1.9
165.04094	1.5
165.05484	28.3
166.05820	1.3
173.05942	1.1
174.03139	2.8
175.03925	18.2
187.03912	1.1
193.04985	100.0
194.05336	3.8
203.05540	2.1
205.05002	8.2
217.05011	1.0
223.06081	5.2
235.05952	0.7
253.07124	4.2
277.06625	0.9
295.08319	0.9
311.11172	0.8
313.09320	4.8
314.97366	0.7
317.45386	0.8
355.05472	2.1
355.10306	35.7
356.10681	2.1
379.10312	2.1
397.11368	46.2
398.11606	1.5
409.11536	1.3
426.88486	0.9
427.12622	4.1
437.14160	0.7
457.13477	36.8
458.13840	2.1
517.15240	1.2
661.80066	0.9
664.14752	0.9
730.62830	0.8
746.81335	0.7
807.62714	0.9
973.24237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	4.6
71.58649	0.9
73.02821	1.8
79.95612	4.8
80.96413	0.6
83.01261	1.5
85.02837	4.0
86.22993	0.5
95.95099	1.0
96.95890	100.0
101.02327	1.5
112.98687	1.0
113.02339	2.8
118.94077	2.2
119.08541	0.6
123.04401	0.7
133.02861	1.1
145.59244	0.5
148.39627	0.6
151.03902	0.6
154.33009	0.6
165.05463	1.0
175.03796	0.6
178.96225	1.5
235.13310	1.6
245.11847	1.0
251.06929	5.2
271.09485	5.8
314.15390	0.5
325.07477	1.2
327.21762	1.6
335.05667	4.6
343.04681	0.9
343.08557	9.1
344.09009	0.6
353.06729	1.0
487.12787	85.4
488.13226	5.3
509.11063	4.3
527.12030	31.5
528.12189	1.9
639.17633	5.7
661.15680	45.5
662.16187	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	989.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	1.0
69.27732	1.1
69.28149	0.9
71.01249	9.5
72.99175	0.8
73.02824	1.6
75.00748	0.6
83.01266	1.4
83.04883	0.5
85.02814	2.1
87.00742	2.6
89.02313	7.8
95.01258	0.9
95.04900	1.1
97.02829	1.8
97.05872	0.3
97.06464	5.4
98.19746	0.4
99.00751	0.6
99.08038	2.3
101.02316	7.9
102.02699	0.2
103.03877	0.2
109.02849	0.2
109.06463	0.5
111.04404	0.3
111.08018	0.6
113.02327	3.4
113.09604	0.5
117.14044	0.2
119.03384	2.6
120.19633	0.2
125.02331	3.3
125.05975	2.9
127.07536	0.9
129.09091	0.5
131.03374	0.4
133.04900	0.3
137.05951	1.6
139.03917	0.4
141.01709	0.2
141.12674	0.3
143.03380	1.3
143.07033	24.0
144.07343	0.5
155.07011	1.5
161.04475	2.1
167.14340	0.9
169.15878	3.4
170.16136	0.2
173.08122	2.6
179.05499	1.8
179.14313	0.4
199.16931	0.2
221.06577	0.7
233.22649	0.4
235.08171	3.8
245.06660	0.2
249.22200	0.6
251.23679	0.4
253.09312	0.8
259.20743	0.2
263.07529	0.3
275.20200	0.3
277.21707	31.3
278.22034	1.8
287.07697	1.5
293.21167	0.2
295.22763	6.9
296.23074	0.4
305.08780	1.4
309.48315	0.2
311.22311	0.7
312.22684	0.3
313.23822	100.0
314.24161	4.8
323.09879	0.5
379.12622	0.4
397.13477	41.9
398.13882	2.0
415.14557	13.9
416.14859	0.8
492.28177	0.2
675.35986	1.9
676.36621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67181	1.4
71.01272	8.6
71.13415	2.7
72.99190	4.4
73.02828	12.4
81.03365	1.4
83.01271	2.3
84.43181	1.3
85.02834	5.0
89.02322	4.6
95.01290	4.2
95.04893	1.9
96.95913	1.8
97.02837	1.4
101.02323	24.6
103.00252	54.3
106.04142	5.2
107.04903	11.5
108.02059	3.8
113.02340	6.1
119.04937	2.8
119.08545	1.5
121.06495	5.9
123.04404	3.9
133.02856	17.5
135.08063	25.3
145.01323	10.5
145.06519	3.3
147.04459	6.7
147.08076	13.0
151.03902	20.5
157.06523	2.6
159.08102	2.5
161.04669	1.8
161.05951	6.4
161.09647	17.0
161.46384	1.4
163.04001	1.6
163.07530	6.7
163.63451	1.2
165.05511	23.9
169.10194	2.0
170.07288	2.6
171.08064	35.7
172.05257	2.2
173.06018	11.6
173.09641	5.9
175.03920	59.2
179.05522	5.7
183.08087	3.3
185.06061	1.4
185.09644	22.9
187.07585	5.6
188.04755	3.9
189.09180	11.5
193.04997	26.4
195.08086	20.6
198.06889	7.5
199.07506	2.2
201.09227	6.9
203.10802	3.3
205.05029	7.5
213.09158	100.0
214.09497	4.4
215.07117	3.5
216.07877	4.1
223.06082	19.3
229.08632	4.5
231.10222	75.9
232.10503	3.1
235.06102	3.6
245.08473	1.5
247.09758	4.8
253.07146	33.6
257.08188	16.4
271.02359	1.7
275.06226	2.2
275.09244	62.7
276.09552	4.1
293.10318	74.2
294.10611	3.9
300.02676	3.2
301.03604	2.7
313.09311	19.0
335.11359	77.1
336.11707	4.5
465.13828	2.2
501.11298	1.5
609.14526	7.0
837.17273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99656	0.3
69.03321	0.9
70.20126	0.9
71.01249	20.1
72.01572	0.4
72.99176	1.3
73.02811	3.7
75.00751	0.4
78.58221	0.3
81.03320	1.1
83.01252	2.1
83.04881	1.0
85.02823	4.7
87.00739	4.9
89.02312	17.9
93.03333	0.6
95.01251	1.5
97.02821	4.1
99.00741	1.3
101.02314	16.1
107.09414	0.3
107.58382	0.3
109.02875	0.3
109.06481	0.4
111.04403	0.5
111.08032	2.6
113.02316	9.6
113.09602	2.0
115.03844	0.6
119.03378	5.7
121.02852	0.5
123.00745	0.4
123.08048	0.4
125.02326	8.5
125.09587	0.4
127.11156	0.4
131.03372	0.9
133.04961	0.5
135.11714	1.5
139.03937	0.5
139.07545	0.7
141.01878	0.4
143.03418	4.0
149.04474	0.5
153.09137	0.7
153.12750	8.5
157.08598	38.0
158.08928	0.5
161.04454	4.3
167.03453	0.5
171.10168	2.3
179.05527	4.4
185.04414	0.3
187.09647	3.4
193.40921	0.3
197.11737	0.3
199.06084	0.3
211.13348	0.4
217.07111	0.7
219.05043	0.4
221.06612	1.5
235.08189	10.0
236.08478	0.4
245.06523	0.6
247.16838	0.3
253.09224	2.0
260.38745	0.3
263.07617	0.8
275.20074	3.9
277.21701	55.9
278.22067	3.4
287.07724	3.4
291.19656	0.6
291.22992	0.4
292.19910	0.8
293.21207	6.3
305.08755	4.1
309.20642	5.2
310.20984	4.1
311.13123	0.9
311.22247	50.1
312.22610	2.3
319.22610	0.3
323.09894	1.4
361.11353	0.4
379.12433	0.7
397.13461	100.0
398.13800	5.5
399.14127	0.5
415.14532	33.9
416.14890	1.6
675.36060	3.5
917.59363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.5
71.01253	14.2
71.04898	0.7
71.06837	0.3
72.99200	1.6
73.02802	2.3
78.95754	0.7
81.03312	0.8
83.01246	1.8
83.04888	0.6
84.02048	0.5
85.02825	9.4
85.06439	0.6
87.00755	2.7
87.04440	0.4
89.02316	12.0
95.01280	0.9
95.04888	0.4
96.95873	1.2
97.02816	3.0
97.06470	2.5
97.30492	0.3
99.00776	0.8
101.02320	11.0
106.06445	0.4
109.02831	0.4
113.02335	6.2
119.03388	3.3
125.02321	4.5
125.05975	0.6
125.09577	0.4
127.11205	0.6
131.03369	0.8
132.12044	0.4
137.02350	0.4
137.09613	1.5
139.03944	0.5
143.03384	2.1
155.10689	0.5
161.04442	2.1
165.12732	0.3
171.10182	14.8
172.10593	0.3
177.12785	0.5
179.05577	3.0
183.13834	9.2
186.88589	0.3
192.44707	0.4
195.13821	1.0
197.11839	0.8
201.11247	0.8
209.11705	0.5
211.13342	9.2
212.13553	0.6
217.07176	0.5
221.06688	1.0
221.11806	1.1
223.16968	0.4
229.14403	3.2
233.15533	0.5
235.08209	3.8
239.12885	0.5
247.77495	0.3
251.16504	2.0
253.09241	0.7
256.84427	0.4
263.07693	0.4
269.17636	0.9
277.21713	26.8
278.22012	1.7
287.07767	1.3
291.19577	3.4
305.08838	1.8
309.20682	8.4
310.21021	0.7
323.09915	1.1
327.21756	100.0
328.22095	6.4
379.12271	0.7
397.13504	41.9
398.13879	2.5
415.14575	14.2
416.14951	0.6
587.43311	1.9
675.35846	2.2
707.35095	4.4
725.35828	2.5
960.91705	0.4
985.58655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	2.2
69.03321	0.9
69.30463	2.8
71.01250	21.2
72.01571	0.2
72.99178	2.9
73.02818	4.8
75.00742	7.2
81.03318	0.3
83.01257	3.3
84.02026	0.3
85.02818	17.3
85.99975	1.9
87.00746	7.7
87.04372	1.9
89.01816	0.4
89.02319	5.8
91.51890	0.3
95.01255	4.0
96.95873	1.5
97.02824	0.9
98.19770	0.6
99.00750	14.6
101.02312	7.5
103.03887	2.5
105.14753	0.3
111.00768	0.5
112.01530	1.1
113.02322	10.8
114.02664	0.3
115.00175	0.6
115.03893	1.5
119.03379	1.0
125.02290	0.3
127.00249	0.3
127.03821	0.4
129.79686	0.3
131.03400	3.9
139.00246	1.1
143.03381	4.6
145.04980	0.6
157.01299	1.3
161.04463	0.7
163.06030	1.8
165.01849	0.5
191.05606	0.3
193.64142	0.3
205.07077	2.6
225.07607	0.6
250.53519	0.3
407.29349	0.4
425.30603	1.8
455.31543	1.1
471.30713	0.5
473.32608	3.6
541.15656	0.3
555.33124	1.2
569.34851	0.7
587.35773	3.1
605.36914	0.8
631.34662	4.3
632.35046	0.6
659.34290	1.5
749.41553	0.5
923.46655	0.8
967.45593	5.0
968.45477	1.2
985.46429	100.0
986.46753	16.6
986.67340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87420	0.6
68.99691	3.2
68.99998	0.6
69.03310	2.4
71.01249	46.9
72.99184	6.7
73.02814	9.8
75.00743	18.8
75.98818	0.7
83.01252	6.5
85.02817	36.8
85.99976	3.3
87.00745	19.2
87.04376	4.0
87.26811	0.6
89.02315	15.1
95.01260	8.2
96.95872	4.6
97.02777	1.5
99.00747	23.8
100.01125	0.7
101.02316	19.7
101.02981	1.1
103.03886	5.1
109.02852	0.7
111.00739	1.5
112.01527	2.0
113.02325	24.7
115.00278	0.8
115.03920	3.1
119.03376	3.3
125.02326	1.5
131.03384	10.2
139.00261	2.6
141.50632	0.7
141.63824	0.6
143.03372	10.3
145.04907	2.2
146.86436	0.7
157.01329	2.6
161.04466	1.7
163.06009	3.7
205.07095	5.6
380.63220	0.6
391.30127	5.1
392.30753	0.7
435.28897	1.2
463.28021	0.9
483.30792	1.3
677.56122	0.7
811.45154	0.9
949.43951	1.8
967.45398	100.0
968.45612	19.5
968.64496	1.3
985.46423	61.9
986.46741	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	976.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73321	1.1
71.60199	0.4
78.95776	31.0
81.03355	0.3
96.96854	2.1
150.97952	0.5
152.99493	43.0
171.00560	11.9
209.11803	2.0
227.03255	3.0
245.04289	55.8
246.04651	1.6
253.21704	24.5
254.22023	0.8
255.23158	0.5
277.21655	1.5
397.13504	1.1
481.25717	100.0
482.26086	8.0
590.91235	0.5
603.80847	0.5
768.04346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.6
69.92732	2.1
71.01256	38.8
72.99188	1.5
73.02820	39.9
75.00736	0.5
81.03325	1.3
83.01260	11.6
85.02828	4.6
87.00748	1.1
89.02322	7.9
90.68583	0.4
93.03338	0.9
95.01276	1.1
96.95906	1.7
97.02830	2.6
99.00751	1.3
99.04408	0.5
101.02326	24.1
106.04134	2.6
107.04914	6.8
108.02030	1.2
111.00761	0.6
113.02328	11.6
117.03362	0.9
119.03416	2.3
119.04919	2.7
121.02847	100.0
122.03196	1.9
123.04350	1.8
125.02341	6.5
126.93138	0.4
129.01759	0.4
131.03380	0.9
131.04929	0.8
133.02858	8.1
135.04417	29.1
136.04761	0.9
138.03152	0.4
141.01799	0.8
143.03406	6.8
145.06487	0.9
147.04428	4.1
149.04451	0.8
149.05896	0.4
151.03918	18.6
155.03394	3.9
161.04474	5.2
161.05994	2.1
163.03926	19.2
164.04271	0.6
165.05476	8.9
173.06009	1.4
175.03923	29.3
176.04277	1.0
179.05536	11.3
189.03958	1.0
189.05603	0.5
193.04994	13.9
194.05380	0.4
203.05539	6.6
203.07233	0.7
205.05023	3.7
209.04663	0.4
217.05025	4.8
223.06062	9.6
223.08067	0.7
235.06088	1.8
243.02908	0.9
253.07173	15.1
254.07635	0.4
265.07220	1.1
271.02512	0.7
285.03961	0.6
295.08221	1.5
299.01920	1.6
313.09302	7.0
314.04349	1.7
325.09253	0.6
331.10403	1.4
411.10800	1.0
505.22012	0.4
609.14398	2.7
609.23627	0.4
822.91357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	2.3
70.35356	0.6
71.01251	8.6
71.98888	0.7
72.99176	1.1
73.02832	1.4
81.03320	1.0
83.01241	1.2
85.02820	2.4
87.00748	1.5
89.02313	8.4
96.95880	1.6
97.02810	1.0
97.06472	1.0
101.02333	6.9
104.92603	0.7
113.02306	3.4
114.94688	0.8
119.03395	2.2
119.08556	6.2
121.10062	0.8
125.02332	2.7
125.09631	3.5
127.11171	2.1
133.50822	0.6
136.02763	0.6
137.09615	11.1
139.11206	0.8
143.03403	1.8
151.11215	0.7
155.10667	1.5
157.08578	0.8
161.04477	1.6
167.10632	2.0
171.10173	30.4
179.05516	2.3
183.10121	1.4
185.04826	0.6
185.11749	9.2
195.10104	0.7
197.11763	1.3
201.11249	1.7
211.13388	0.8
213.11244	2.7
221.06610	0.9
225.14940	2.0
229.19583	1.6
231.21024	0.8
235.08220	3.8
253.09222	0.8
273.18610	4.5
275.20135	20.9
276.20377	1.5
287.07687	1.6
291.19656	10.5
305.09006	1.0
307.19159	1.6
308.19455	1.0
309.20691	100.0
310.21033	4.5
323.09973	0.7
397.13492	34.6
398.13864	1.2
415.14526	13.5
483.04648	0.7
595.09454	0.7
668.47156	0.7
673.34247	1.0
727.27045	1.4
734.27313	0.8
946.62329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99720	1.0
69.03331	1.7
69.24260	1.3
69.24569	12.4
71.01250	50.3
72.99173	3.5
73.02815	10.4
73.98180	1.1
78.85045	0.9
81.03318	1.3
83.01254	7.6
85.02819	20.4
87.00751	4.4
89.02311	50.3
93.03341	3.0
95.01262	5.0
96.95888	3.0
97.02832	2.9
99.00745	5.0
101.02316	42.5
101.02997	1.9
106.04128	3.3
107.03401	1.4
107.04903	28.2
108.02061	3.5
113.02320	30.9
115.17675	1.0
119.03375	21.8
119.04836	1.2
121.02825	4.0
125.02347	6.1
131.03395	4.5
131.04919	1.6
133.02841	3.3
143.03391	10.9
143.04472	1.2
143.04893	0.9
145.06480	4.7
147.04414	2.0
149.04475	3.6
151.03906	99.6
152.04247	2.1
159.02904	2.4
159.04306	1.0
161.04459	20.6
165.05400	1.3
173.05959	7.1
175.03906	5.0
179.05518	100.0
180.05898	1.5
187.03923	2.1
193.05037	1.5
197.27049	1.2
203.07008	1.1
205.05035	3.2
217.04984	29.3
223.06047	3.5
277.07147	4.1
279.07965	1.1
279.14444	33.6
280.14929	1.1
285.07828	1.3
287.14960	2.3
295.08237	10.9
297.76440	1.1
321.15567	21.1
331.10324	13.4
339.09122	1.8
357.09860	1.3
411.10889	7.3
449.19916	1.2
798.16333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.7
71.58334	1.5
73.02818	1.5
75.00749	8.5
78.00100	1.0
83.01272	1.5
85.02818	8.1
87.00750	1.5
89.02322	6.3
95.01266	2.9
96.95885	2.8
99.00757	6.9
101.02323	7.1
103.45172	1.0
108.85291	1.0
113.02351	8.4
119.03384	1.4
178.88348	3.0
184.96968	1.0
272.07910	1.0
291.44403	1.1
326.85809	1.1
795.45313	100.0
796.45850	19.4
817.42957	2.9
877.45398	3.0
915.40338	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	973.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	1.7
69.03336	0.8
69.98093	2.8
71.01250	26.7
72.01586	0.6
72.99178	3.3
73.02816	7.3
75.00740	12.5
81.03340	0.6
83.01254	3.3
83.04866	0.8
85.02818	22.4
85.99961	2.2
87.00746	9.9
87.04383	2.4
89.02322	10.1
95.01251	4.5
96.95891	4.8
97.02828	1.1
98.19876	1.0
99.00752	12.9
99.04359	0.7
101.02311	10.5
103.03866	3.6
111.00761	1.0
112.01569	0.9
113.01522	0.7
113.02319	14.5
115.03891	3.1
116.97713	0.6
119.03376	2.4
120.99565	0.7
125.02343	0.7
131.03394	5.1
131.56918	0.6
139.00278	1.5
143.03392	7.2
145.04947	1.6
157.01338	0.6
161.04466	1.1
163.05974	3.2
183.32010	0.6
205.07076	4.5
285.04001	2.0
286.04376	0.7
379.30078	0.6
409.31274	0.6
955.48535	0.9
973.50073	100.0
974.50409	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	971.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.4
70.07543	1.1
71.01254	14.9
72.01586	0.2
72.99175	1.4
73.02823	2.4
75.00758	0.3
81.03304	0.8
83.01261	2.0
85.02335	0.4
85.02815	3.4
85.99973	0.3
87.00746	3.7
89.02315	13.5
91.03949	0.3
93.03324	0.4
95.01243	1.5
96.80707	0.2
96.86763	0.3
96.95864	0.4
97.02827	2.8
98.20587	0.3
99.00739	1.0
99.04409	0.3
101.02322	14.2
107.15485	0.2
111.04401	0.5
113.02335	6.4
113.09573	0.5
115.03918	0.4
119.02570	0.3
119.03387	4.3
125.02335	5.9
127.42902	0.2
131.03403	0.7
133.04929	0.6
137.02312	0.3
139.03896	0.5
141.09036	0.3
143.03395	2.7
149.04445	0.4
154.63609	0.2
161.04469	2.4
167.03369	0.4
167.10670	0.7
167.19301	0.2
177.12778	0.3
179.05548	3.1
179.14294	1.1
181.12225	0.3
185.04675	0.2
195.13818	8.0
196.14424	0.6
205.12245	0.9
210.86499	0.2
211.13333	0.6
217.07150	0.4
219.05138	0.3
221.06541	1.3
221.15271	0.4
223.13330	5.9
224.13800	0.4
228.13631	1.0
231.21103	0.5
235.08203	7.1
236.08484	0.5
236.10614	0.4
245.06587	0.5
253.09196	1.3
256.13150	1.1
263.07703	0.5
265.14954	0.3
265.21637	0.5
275.20193	3.7
276.20618	0.2
277.09265	0.5
279.23279	48.7
280.23627	2.9
286.23111	0.2
287.07819	1.8
293.21222	100.0
294.21585	5.3
305.08783	3.1
323.09857	0.8
379.12369	0.6
397.13504	70.0
398.13788	3.2
415.14563	22.4
416.14893	1.3
677.37494	3.7
678.38458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	2.2
69.03325	1.0
69.40227	2.1
71.01254	30.2
72.99181	4.6
73.02818	8.2
75.00745	12.3
81.03337	0.6
83.01265	3.8
83.04897	1.0
84.02048	0.5
85.02824	24.3
85.99975	1.9
87.00754	11.1
87.04391	2.8
89.02319	9.5
89.02884	0.3
95.01270	5.3
96.95889	1.8
97.02833	0.9
99.00760	14.3
99.04395	0.6
101.02322	12.2
103.03893	3.7
111.00739	0.8
112.01546	1.1
113.02332	15.2
115.00269	0.5
115.03902	3.0
119.03397	2.2
125.02341	0.8
127.03851	0.3
131.03401	6.0
139.00261	1.7
143.02333	0.5
143.03406	7.3
145.04967	1.4
157.01352	1.7
161.04431	1.2
163.06012	2.3
179.29315	0.3
205.07111	4.2
231.04962	0.3
233.06729	0.3
262.94754	0.2
409.30966	0.3
441.34076	1.4
457.33392	0.3
469.33286	0.3
470.12454	0.3
487.34293	0.5
489.35849	1.5
571.36975	0.3
603.38904	0.5
643.02466	0.3
647.38123	0.7
955.48877	1.0
973.50128	100.0
974.50452	13.0
974.70526	0.6
1006.97638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.8
71.01252	10.0
71.58733	0.9
72.99167	2.0
73.02807	2.6
75.25053	0.6
83.01250	2.5
85.02817	7.4
87.00761	1.0
89.02298	4.5
95.01250	1.3
96.95912	1.5
97.02826	1.2
99.00780	0.8
101.01752	0.8
101.02327	7.0
113.02332	4.1
119.03420	0.8
131.03384	1.9
143.03473	0.7
177.49669	0.8
211.52722	0.8
411.32358	0.9
453.33951	1.3
471.34665	10.6
472.35193	1.0
477.58670	0.8
585.37769	3.2
603.39032	5.9
604.39355	0.8
749.44641	28.1
750.45129	5.1
765.43921	1.9
911.50024	100.0
912.50531	14.2
971.45355	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35554	5.0
71.01254	10.5
71.04877	0.8
72.99174	1.0
73.02808	2.5
83.01251	2.0
85.02825	7.1
85.99943	0.5
87.00746	1.1
89.02311	4.5
95.01238	0.9
96.95890	2.9
97.02839	0.8
98.19825	1.1
101.02320	9.2
103.03902	0.8
113.02332	4.5
118.13838	0.6
119.03391	1.2
131.03406	2.7
382.24396	0.5
453.33493	3.1
471.34671	8.9
472.35052	1.2
475.20984	0.7
567.36621	1.0
585.37848	3.1
603.38977	3.5
705.45465	0.6
731.43781	0.6
749.44763	25.9
750.45215	2.9
765.44550	1.4
798.31195	0.6
911.50049	100.0
912.50409	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	971.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	2.4
69.03325	1.1
71.01255	29.8
71.58548	0.6
72.01599	0.6
72.99181	4.6
73.02434	0.5
73.02821	7.1
75.00749	11.3
75.73252	0.3
76.01091	0.3
78.95811	0.3
83.01260	4.1
84.02048	0.3
85.02826	22.8
85.99964	2.3
86.03170	0.4
87.00751	10.7
87.04390	2.9
88.98663	0.3
89.02320	7.1
93.03327	0.4
95.01266	4.7
96.95885	2.0
97.02835	0.8
99.00757	15.6
99.04440	0.3
100.01067	0.5
101.02325	10.3
101.02997	0.6
103.03880	2.2
111.00777	0.7
112.01554	1.4
113.02338	13.2
114.02678	0.3
115.00287	0.4
115.03918	2.1
118.63091	0.3
119.03410	1.6
121.02914	0.3
125.02298	0.7
129.01799	0.4
131.03407	5.2
139.00252	1.7
140.22675	0.3
143.03406	5.3
145.04987	1.3
149.02405	0.3
157.01315	1.7
161.04486	1.1
163.05997	2.4
191.05592	0.4
197.36128	0.3
205.07106	3.7
247.08194	0.4
264.82904	0.3
295.09259	0.3
299.15753	0.3
377.28867	0.3
487.33423	0.4
600.36090	0.4
645.35986	0.6
818.19611	0.4
909.48126	0.7
953.47906	1.6
970.47632	1.1
971.48431	100.0
972.48804	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	971.486
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	1.9
69.03304	1.3
71.01255	29.4
71.58757	0.4
72.01564	0.3
72.99179	3.8
73.02818	7.8
75.00748	11.6
81.03332	0.4
83.01254	3.9
84.02065	0.6
85.02824	23.9
85.99947	1.8
86.03151	0.4
87.00755	10.3
87.04388	4.0
89.02321	8.3
95.01257	4.9
96.22153	0.3
96.95876	1.0
97.02834	1.0
99.00759	16.2
99.04417	1.1
101.02324	11.2
103.03904	3.1
111.00760	0.7
112.01559	0.8
113.02332	13.6
115.00241	0.3
115.03910	2.5
119.03395	2.3
125.02345	0.8
127.03889	0.4
129.01866	0.4
131.03409	6.2
139.00299	2.1
143.02344	0.5
143.03412	6.6
145.04988	1.1
157.01321	1.5
161.04468	1.7
163.06038	2.5
166.58969	0.3
175.66953	0.3
205.07130	4.0
227.03801	0.3
247.08035	0.5
263.12903	1.0
266.43607	0.4
284.03201	0.6
299.05676	0.8
379.29996	1.0
409.31125	2.3
437.29672	0.4
457.33041	0.5
627.35052	0.3
645.36908	0.7
653.37457	0.3
953.47571	1.7
971.48572	100.0
972.48785	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	971.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	2.7
69.03316	1.8
70.29647	0.8
70.30057	0.5
71.01254	34.2
72.99182	4.0
73.02434	0.6
73.02820	8.8
75.00749	15.5
77.10273	0.3
81.03326	0.7
83.01259	5.2
85.02822	26.2
85.99953	2.6
86.03149	0.6
87.00755	12.8
87.04391	3.4
89.02320	9.6
95.01261	6.3
96.95885	1.2
97.02809	1.0
99.00757	17.4
99.04392	0.5
99.35480	0.4
101.02325	14.0
103.03889	2.9
111.00753	1.0
112.01540	1.5
113.02329	16.0
115.00285	0.7
115.03910	2.9
119.03385	2.3
125.02357	0.7
129.01852	0.5
131.03380	6.0
133.02841	0.4
139.00253	1.6
143.03409	6.4
145.04971	1.2
157.01314	1.5
161.04434	1.5
163.06012	2.9
191.05472	0.4
205.07112	4.2
247.08205	0.5
360.32477	0.3
487.34076	0.4
601.23676	0.3
645.36078	0.8
909.47900	0.6
953.47144	1.7
955.49158	0.5
956.49512	1.6
957.49438	1.7
958.50665	1.0
971.48523	100.0
972.48761	16.7
984.44739	1.3
985.44568	0.6
986.45526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	1.6
69.03313	1.4
71.01253	28.8
71.45744	1.0
72.99187	3.3
73.02817	7.3
75.00747	11.7
81.03326	0.6
82.06591	0.4
83.01270	3.8
85.02823	22.4
85.99970	2.3
86.00427	0.4
87.00748	9.3
87.04400	2.6
89.02312	8.9
92.87274	0.5
95.01256	4.5
97.02796	0.6
99.00758	13.9
101.02316	10.9
103.03891	2.9
112.01562	1.1
113.02330	13.5
115.00239	0.5
115.03909	3.9
119.03372	1.7
125.02299	0.8
131.03394	5.4
139.00288	1.2
143.03381	6.7
145.04967	0.9
150.03093	1.5
157.01288	1.4
161.04462	1.5
163.05966	2.2
165.05437	0.9
181.04968	0.5
195.06531	0.7
205.07083	3.7
247.08136	0.5
391.29620	0.6
392.36969	0.6
409.30783	0.9
457.33203	0.6
521.27576	0.5
527.67920	0.7
953.47351	1.2
971.48541	100.0
972.48926	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	969.47
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	0.7
68.99686	3.1
69.03305	1.0
71.01253	36.3
72.99188	3.7
73.02817	7.3
75.00749	12.1
83.01257	5.6
85.02822	31.3
85.99971	1.7
87.00748	10.3
87.04382	1.3
89.02318	12.8
95.01255	7.2
96.95902	1.3
97.02831	1.2
99.00757	15.9
100.93304	0.5
101.02321	17.8
103.03909	1.0
111.00780	0.7
112.01559	1.2
113.02329	19.3
115.00251	0.5
115.03926	0.9
119.03401	3.6
125.02364	1.0
131.03400	5.9
139.00270	2.9
143.03394	4.1
157.01320	1.3
159.02881	1.1
161.04480	6.1
163.06123	0.7
179.05544	2.5
184.63852	0.4
205.07114	1.5
221.06593	7.1
229.64314	0.6
255.02954	0.6
263.07733	1.1
283.02545	0.9
323.67508	0.5
469.33426	0.6
539.63586	0.5
554.60413	0.5
609.35046	0.7
951.45764	1.4
963.74823	0.5
969.46960	100.0
970.47131	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	969.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	0.8
68.99684	2.1
69.03312	1.1
69.80544	3.5
71.01255	30.4
72.99181	3.0
73.02818	8.8
75.00750	13.8
81.03334	0.7
83.01255	4.3
85.02825	23.5
85.99965	2.2
87.00753	10.7
87.04411	2.6
89.02319	8.5
95.01268	5.8
97.02823	1.1
98.20404	0.9
99.00761	14.6
101.02326	12.7
103.03852	3.0
111.00725	0.7
112.01548	1.3
113.02342	13.7
115.03917	3.5
116.78326	0.6
119.03383	1.7
131.03395	6.0
139.00250	1.2
143.03407	5.8
145.04956	1.5
157.01337	1.5
161.04503	1.5
163.05998	2.0
205.07123	5.1
230.91159	0.7
247.08261	0.8
287.90497	0.6
342.90323	0.6
407.29709	0.9
552.58997	0.7
848.16309	0.9
946.92224	0.6
951.45374	1.4
969.46967	100.0
970.47375	16.9
970.67261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	2.4
69.03318	1.7
70.34058	1.5
70.34459	1.4
71.01250	30.7
72.99178	4.7
73.02811	6.8
75.00742	15.4
79.51932	0.6
83.01263	3.8
84.30892	0.6
85.02821	26.9
85.99963	2.2
87.00748	12.9
87.04388	3.3
89.02311	8.9
95.01251	5.6
96.95881	2.4
99.00750	17.7
101.02321	11.7
103.03878	2.1
105.57710	0.6
106.89442	0.6
112.01549	1.4
113.02322	17.6
115.03868	2.4
119.03362	1.2
120.97757	0.6
125.02383	0.9
127.03907	0.7
131.03395	6.1
131.92349	0.6
133.02744	0.8
139.00201	1.2
143.03391	6.4
144.80305	0.8
145.04938	1.1
157.01303	1.9
161.04482	1.1
163.06012	2.7
171.15494	0.6
175.03915	0.9
205.07071	3.0
222.08530	0.6
276.78210	0.6
312.57660	0.6
335.48047	0.6
377.15967	1.9
442.49997	0.8
485.33032	1.0
571.55646	0.7
643.35040	1.0
861.46332	0.8
883.46436	1.2
951.45630	2.3
969.46924	100.0
970.47333	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	968.5995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31099	0.5
69.31512	1.9
78.95768	5.8
95.26746	0.2
95.87669	0.3
98.20538	0.6
99.79561	0.2
110.06600	0.2
110.97643	0.3
110.98403	4.5
112.60226	0.3
116.96334	0.3
122.14660	0.2
131.98665	0.2
152.99477	0.6
167.01059	2.5
185.02121	3.1
193.63158	0.3
224.90326	0.2
238.55421	0.3
255.23257	1.0
256.23627	0.6
261.22177	0.5
263.62787	0.2
279.23270	100.0
280.23633	6.3
281.24634	0.4
378.07544	0.3
433.07361	0.3
447.25146	44.1
448.25510	3.5
459.10919	0.2
483.27246	0.7
484.27197	0.5
507.49973	0.3
675.68347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	0.4
69.03336	1.3
70.32620	0.6
70.33012	0.4
71.01251	23.6
72.99175	2.3
73.02818	3.9
75.00741	0.6
81.03341	1.3
83.01261	3.0
83.04914	0.4
85.02340	0.4
85.02818	5.5
87.00748	5.5
89.02314	20.8
91.03879	0.6
93.03326	0.4
93.27544	0.2
94.46884	0.2
95.01272	1.8
95.04885	0.4
96.95872	0.4
97.02827	5.0
99.00755	1.5
101.02317	19.1
109.02809	0.5
111.00738	0.4
111.04379	1.0
113.02327	10.7
115.03887	0.6
119.03383	6.0
119.04807	0.3
121.02815	0.7
123.00779	0.3
123.04386	0.3
124.01511	0.3
125.02338	8.2
125.05922	0.3
127.03884	0.4
129.01791	0.3
131.03378	0.8
133.04922	0.5
139.03918	0.7
141.01794	0.8
142.02638	0.2
143.03384	3.8
149.04445	0.5
150.10458	0.4
151.11101	0.3
161.03185	0.3
161.04460	4.7
163.11176	0.6
165.12764	10.2
166.13129	0.3
167.03392	0.4
168.91185	0.2
169.04942	0.5
176.12000	0.3
177.12766	0.3
179.05510	4.7
185.04471	0.5
186.35397	0.3
191.14325	0.3
217.07167	0.7
219.04944	0.3
221.06616	1.9
227.78621	0.2
233.22772	0.3
235.05768	0.5
235.08183	9.7
236.08479	0.3
245.06606	0.5
247.20647	4.6
248.21140	0.3
253.09229	2.2
259.20602	0.4
263.07620	1.0
270.34546	0.3
273.18616	3.0
275.19983	0.3
277.09613	0.6
277.21704	59.9
278.22028	3.8
287.07745	3.5
291.19650	31.4
292.20084	1.9
305.08755	3.4
323.09888	1.1
361.11182	0.3
379.12515	0.9
397.13483	100.0
398.13882	4.6
415.14557	32.0
416.14761	1.9
675.36139	3.5
742.65881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	7.8
71.57570	0.5
72.20501	0.4
72.99173	0.9
73.02821	0.8
75.42443	0.4
78.95779	1.8
81.03362	0.4
83.01257	0.9
85.02822	1.8
87.00755	1.9
89.02314	6.0
95.01283	0.5
96.95882	0.8
97.02829	0.9
99.00751	0.7
101.02326	6.4
111.08080	0.4
113.02318	2.9
113.09575	0.4
115.03876	0.4
115.78759	0.4
119.03382	1.3
125.02348	2.6
143.03398	1.0
148.55232	0.4
152.99472	3.0
157.60049	0.4
161.04469	1.3
168.76276	0.4
171.10185	1.0
179.05537	2.1
179.14336	0.5
185.71741	0.4
195.13837	7.1
196.14479	0.4
205.12234	0.7
209.11752	0.4
211.13466	0.7
221.06589	1.1
223.13341	5.7
224.13892	0.4
227.03145	0.4
228.13489	0.7
231.21103	0.6
235.08170	2.2
253.09198	0.5
255.23264	17.0
256.13104	1.1
256.23526	1.1
265.21906	0.4
275.20129	6.2
277.21762	1.4
291.19632	0.6
293.21222	100.0
294.21567	5.1
309.20718	1.8
323.09732	0.6
379.12732	0.8
397.13470	18.7
398.13892	1.0
415.14502	9.7
416.14569	0.6
483.27252	13.0
484.27658	1.5
569.42365	1.3
673.34125	0.6
691.35345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29059	2.1
79.91429	0.2
83.04906	0.2
95.41700	0.2
96.95889	6.9
97.06464	0.3
98.19696	0.3
98.95441	0.3
99.04372	0.8
133.02841	0.2
135.04388	0.3
165.12724	1.0
167.10626	0.3
179.03535	0.4
191.08958	0.2
207.13806	1.6
209.11771	3.9
210.12106	0.2
225.14882	2.6
227.12839	22.0
228.13177	1.1
251.12834	0.8
269.13913	5.4
270.14288	0.3
273.54837	0.2
275.09369	0.2
287.14984	100.0
288.15323	6.0
290.25729	0.2
339.05194	0.4
405.49695	0.2
529.26385	0.3
543.72522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	4.8
69.93874	1.4
71.01252	100.0
72.99170	5.5
73.02819	59.7
75.00740	1.6
79.39063	1.3
80.02562	1.5
81.03348	1.7
83.01264	23.7
83.04861	1.8
85.02819	14.2
87.00732	7.9
89.02314	63.6
95.01276	4.3
96.95897	10.3
97.02826	2.1
98.20619	3.8
99.00716	2.0
99.63110	1.4
101.02316	90.5
107.04916	8.2
107.34264	1.3
113.02330	48.5
119.03382	31.8
125.02341	3.3
128.36821	1.7
131.03413	11.4
133.02856	2.5
135.08046	2.0
137.02310	2.9
137.05948	1.7
143.03415	15.7
145.02837	1.7
149.01007	1.5
149.02344	5.2
149.04457	11.8
149.05887	7.3
151.00267	6.1
155.03372	5.3
161.04460	24.5
163.11194	9.9
166.02623	18.2
167.03233	1.5
175.03893	4.5
177.01846	25.2
179.05540	27.9
179.07001	1.2
181.04970	18.9
187.11171	4.6
188.52985	1.3
190.82358	1.4
191.03342	1.7
192.04242	16.1
195.06503	1.8
203.05553	4.2
205.12274	75.3
206.12616	5.8
207.06586	16.2
209.11778	36.7
210.12172	1.6
217.12161	1.7
221.06731	2.0
223.13304	4.4
225.07602	2.7
227.12874	4.3
229.67709	1.6
253.09290	5.2
261.05734	1.3
261.11227	1.9
287.12424	3.7
288.12875	1.6
333.63406	1.5
365.72226	1.6
387.13208	9.4
388.12515	1.6
417.15500	6.9
445.20804	2.0
607.21674	13.7
805.29700	7.9
977.44977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25253	0.5
69.25670	0.9
71.01232	0.3
78.95779	5.5
83.04893	0.3
100.37939	0.1
104.97346	0.2
110.98420	4.5
127.07554	0.2
152.99503	0.5
167.01096	1.3
185.02127	4.1
205.19481	0.2
233.22806	0.3
259.20560	0.5
275.20248	0.5
277.21719	100.0
278.22064	6.6
279.23123	0.3
285.02750	0.1
317.71552	0.2
327.17105	0.1
406.13400	0.1
431.21582	0.1
445.23602	47.7
446.23923	3.5
545.75903	0.1
659.77197	0.1
804.33405	0.1
808.37872	0.2
938.55444	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01739	0.4
69.03323	2.6
69.51060	2.7
71.01251	16.6
71.04867	0.8
71.60596	0.4
71.62196	0.5
72.99169	0.7
73.02814	17.1
75.00735	1.7
79.05384	2.6
81.03321	1.4
83.01257	4.8
83.04893	6.3
84.02050	0.9
85.02805	2.9
87.00742	0.8
87.38980	0.4
89.39898	0.4
91.05390	0.4
93.03317	0.8
93.06981	1.7
95.04882	2.3
96.95852	0.7
97.02813	3.3
99.04414	2.2
101.02318	15.0
105.06972	0.7
105.81901	0.5
106.04044	0.4
107.04911	1.8
107.08549	0.5
108.02041	0.8
109.02839	2.3
109.06462	1.6
110.03597	0.4
111.00719	0.5
111.04403	25.1
111.08040	0.4
113.02312	3.1
117.06994	1.2
119.04904	0.9
119.08527	1.5
120.05688	0.9
121.02830	1.0
121.06479	2.7
122.03582	1.1
122.65523	0.4
123.04415	5.4
123.08041	0.7
124.01528	1.3
125.02331	2.6
125.05949	1.0
127.03890	0.6
131.03348	0.7
131.08527	0.5
133.06468	0.7
133.10118	1.3
135.04402	0.8
135.08035	2.0
137.02357	1.1
137.05971	1.3
137.09596	1.0
138.03119	1.0
139.03905	3.1
139.07547	0.9
143.03387	1.4
143.08589	0.5
145.06509	0.7
145.10120	1.3
147.08070	1.4
147.11708	0.9
148.05144	0.6
149.05919	0.8
149.09644	2.3
150.06662	0.5
151.07500	2.8
155.03368	1.4
155.08643	0.6
157.06450	0.8
157.10114	1.4
159.08078	1.9
159.11644	0.8
160.05168	0.4
161.04480	1.6
161.05951	1.3
161.09621	0.9
163.07533	9.3
165.07716	0.8
165.09113	13.8
166.09436	0.5
169.10085	0.4
171.07996	1.0
171.11722	1.3
173.05910	0.4
173.09604	1.3
173.13269	10.4
174.13724	0.9
175.07581	5.1
175.11212	1.8
176.08171	0.5
177.05531	0.7
177.09111	1.0
183.08084	0.6
184.08815	0.6
185.09653	1.3
185.13222	1.5
187.07542	0.5
187.11209	2.3
189.09122	3.2
189.12766	1.8
192.11490	2.3
195.11688	0.7
197.09628	1.0
197.13297	2.3
198.10428	0.6
199.11223	5.5
201.09109	1.4
201.12814	2.3
202.09807	0.6
203.05551	8.9
203.07437	0.6
203.10710	1.0
203.14334	7.6
205.04990	0.5
207.13837	15.2
208.14273	0.5
211.11230	0.6
213.09265	0.8
213.12776	8.7
215.10750	1.6
215.14319	3.6
217.12279	47.9
218.12587	2.0
223.11215	0.9
225.08983	0.5
226.10036	0.5
229.12303	1.8
231.13861	9.5
239.10655	0.6
241.12305	8.1
242.12640	0.5
243.10242	3.5
245.11716	0.7
247.13344	6.0
257.11774	4.2
259.13388	9.1
260.13849	0.7
261.11298	100.0
262.11642	5.5
271.13367	0.9
275.12878	37.3
276.13187	1.9
285.11346	8.5
289.14471	0.8
301.10568	0.4
303.12366	80.9
304.12720	5.6
315.12311	0.5
321.13217	0.6
329.33569	0.5
333.13358	4.1
345.13382	1.3
375.14432	0.6
405.15536	1.4
465.17755	0.7
744.95856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32232	0.3
69.32620	1.3
78.95782	5.0
104.97341	0.2
110.98418	3.7
152.99500	0.4
167.01074	1.4
185.02127	3.5
193.10129	0.1
255.23315	0.1
261.22290	0.3
277.21713	0.5
278.22101	0.2
279.23288	100.0
280.23624	5.4
305.17627	0.3
447.25162	44.2
448.25488	2.3
481.25757	0.2
565.20978	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19315	0.7
81.03326	7.8
81.85473	0.2
83.04890	18.1
84.05213	0.3
87.78289	0.2
88.32976	0.2
96.95865	0.9
100.07559	0.5
101.02243	0.2
107.06008	0.3
108.04445	0.7
112.00204	0.2
125.07076	1.2
126.05447	0.5
143.08174	0.6
157.13365	0.4
207.14969	1.3
208.24640	0.2
222.16055	0.3
224.17606	3.1
225.16025	12.5
242.18631	0.8
291.20728	0.3
309.21829	1.3
324.26416	0.6
333.22870	0.8
341.29114	1.1
356.23108	0.3
367.27048	0.9
385.28394	0.3
433.32007	1.3
450.34256	1.4
451.32846	9.7
452.33197	0.8
465.90106	0.3
539.05884	0.3
550.43500	0.8
567.46100	0.8
593.43243	0.5
659.48871	0.3
661.21735	0.3
676.52106	0.4
677.49835	2.1
678.49438	0.4
776.60382	0.5
885.64917	0.7
903.66431	100.0
904.66803	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	963.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71551	0.2
70.01567	0.4
70.01968	0.6
71.87392	0.2
78.95777	4.9
98.19856	0.3
108.85488	0.2
110.97726	0.4
110.98419	4.3
132.98314	0.2
152.99510	0.4
167.01060	1.9
182.76579	0.2
185.02151	3.2
255.23282	0.4
261.22375	0.3
279.23285	100.0
280.23630	6.0
388.52658	0.2
447.25171	40.2
448.25558	2.4
483.26624	0.3
612.21674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33150	1.8
71.01231	0.3
78.95777	5.6
82.77309	0.2
83.04893	0.3
98.19691	0.3
104.91768	0.1
110.98414	4.6
126.56275	0.2
127.07581	0.3
152.99454	0.6
167.01106	1.4
185.02129	3.9
233.22685	0.5
259.20630	0.5
275.20148	0.5
277.21716	100.0
278.22067	6.1
445.23608	41.5
446.24002	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	959.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	0.3
78.95776	5.6
83.04867	0.2
94.98936	0.2
97.06468	0.1
106.45899	0.1
110.98412	4.4
127.07562	0.2
152.99518	0.4
156.26823	0.1
167.01082	1.7
185.02133	4.0
211.14870	0.1
212.89667	0.1
233.22702	0.6
259.20679	0.5
275.20169	0.3
277.21710	100.0
278.22049	5.3
285.19672	0.1
445.23602	50.8
446.23895	2.9
808.22070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.521
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	1.4
71.58607	1.0
71.58987	0.6
78.95771	46.6
83.01202	0.7
85.42390	0.5
89.02324	1.3
90.11866	0.5
96.96833	4.1
101.02363	1.0
113.02240	0.7
128.60733	0.6
135.08023	0.6
139.01848	0.6
150.97961	1.0
152.99484	66.3
171.00549	17.0
183.65395	0.6
205.03490	0.5
209.11734	4.5
220.48119	0.6
227.03188	2.2
245.04280	72.4
246.04568	1.1
249.14667	0.7
253.21686	27.3
267.78961	0.6
277.21832	4.2
287.16547	0.8
305.17606	5.5
315.63171	0.6
397.13382	2.1
415.14600	0.7
448.24350	0.5
481.25687	100.0
482.25989	6.9
685.30603	0.9
877.44568	0.7
963.53082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01754	0.6
68.99693	2.7
69.03305	0.8
70.66865	0.9
70.67200	0.8
71.01250	40.1
72.01583	0.7
72.99181	3.2
73.02818	6.7
74.48238	0.5
75.00745	11.1
78.95779	0.8
82.93301	0.6
83.01260	4.7
83.92513	0.6
85.02820	36.4
85.99947	1.5
86.03153	0.9
86.26491	0.5
87.00752	8.9
89.02315	16.9
95.00693	0.9
95.01264	9.4
95.31301	0.6
96.95885	1.3
97.02874	0.8
99.00751	13.6
101.02319	20.5
103.03931	0.6
111.00765	0.9
112.01574	0.8
113.02328	20.7
114.02674	0.7
119.03400	5.4
125.02278	0.9
129.01767	0.7
131.03400	7.2
139.00310	3.1
143.03371	2.1
153.22681	0.5
157.01321	1.0
159.02892	1.6
161.04460	11.7
179.05452	2.9
221.06636	10.8
226.93866	0.6
263.07602	1.4
339.81723	0.6
354.95703	0.6
437.34265	0.7
597.37939	1.0
615.38867	0.7
733.91821	0.6
911.50366	0.8
939.49420	1.7
956.48822	1.9
957.50439	100.0
958.50836	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.3
69.03304	1.1
70.68159	2.5
71.01256	34.8
72.99183	3.0
73.02813	5.7
75.00750	14.4
79.80238	0.8
83.01274	4.1
85.02825	24.7
85.99998	1.2
87.00748	8.3
89.02322	20.1
95.01261	7.2
96.95893	3.7
97.02831	1.6
98.20539	0.9
99.00763	19.0
100.99227	1.0
101.02325	20.5
111.00790	0.9
113.02333	17.2
119.03402	6.7
123.19666	0.8
125.02338	3.4
129.92751	0.7
131.03375	4.3
139.00246	1.5
143.03391	1.9
157.01355	1.9
161.04478	6.4
177.02205	0.9
179.05527	1.8
180.76573	1.0
221.06619	4.1
434.81082	0.9
446.36935	0.9
956.49310	1.6
957.50562	100.0
958.50946	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.3
69.03304	1.1
70.68159	2.5
71.01256	34.8
72.99183	3.0
73.02813	5.7
75.00750	14.4
79.80238	0.8
83.01274	4.1
85.02825	24.7
85.99998	1.2
87.00748	8.3
89.02322	20.1
95.01261	7.2
96.95893	3.7
97.02831	1.6
98.20539	0.9
99.00763	19.0
100.99227	1.0
101.02325	20.5
111.00790	0.9
113.02333	17.2
119.03402	6.7
123.19666	0.8
125.02338	3.4
129.92751	0.7
131.03375	4.3
139.00246	1.5
143.03391	1.9
157.01355	1.9
161.04478	6.4
177.02205	0.9
179.05527	1.8
180.76573	1.0
221.06619	4.1
434.81082	0.9
446.36935	0.9
956.49310	1.6
957.50562	100.0
958.50946	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	957.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.4
68.99693	2.2
69.03321	1.1
69.91618	1.1
71.01250	31.9
72.01583	0.3
72.99180	3.3
73.02815	9.3
74.03117	0.3
75.00743	14.3
81.03333	0.4
83.01252	4.6
84.02023	0.6
85.02818	26.6
85.99967	2.0
86.03156	0.5
87.00748	10.9
87.04387	3.2
89.02311	11.3
95.01259	6.5
95.78543	0.3
96.95865	0.6
97.02827	0.8
99.00753	16.0
99.04388	0.7
101.02319	13.8
103.03888	3.2
111.00732	0.6
112.01569	1.6
113.02327	16.9
115.00267	0.6
115.03896	4.0
119.03380	2.4
125.02334	1.1
129.01804	0.3
131.03391	7.0
139.00258	1.6
143.03387	7.4
143.52133	0.3
145.05002	1.3
157.01285	1.3
161.04491	1.8
163.06006	2.2
205.07103	5.3
247.08249	0.4
302.93164	0.3
386.91357	0.3
409.31042	0.3
425.34229	1.2
451.20169	0.3
453.33844	0.6
471.35199	0.3
473.36325	0.8
631.38580	0.6
633.48956	0.3
939.49316	1.3
957.50549	100.0
958.50916	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	957.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	1.2
69.03303	0.8
71.01251	19.5
71.30046	1.2
72.99160	1.7
73.02821	5.3
75.00742	7.9
83.01262	2.5
85.02826	15.8
85.99973	1.2
86.19939	0.7
87.00748	8.2
87.04392	2.4
89.02307	5.7
95.01279	3.5
99.00758	9.1
101.02326	8.6
103.03883	2.8
112.01540	0.9
113.02335	9.7
115.00234	0.6
115.03905	2.6
119.03364	2.1
121.67468	0.6
131.03397	4.2
139.00232	0.9
143.03409	5.2
145.04984	0.8
157.01350	1.1
161.04437	1.0
163.06012	2.2
205.07155	3.3
282.52936	0.7
292.43790	0.6
425.34140	0.8
939.50476	0.7
957.50604	100.0
958.50861	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	957.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	0.4
68.99693	2.2
69.03321	1.1
69.91618	1.1
71.01250	31.9
72.01583	0.3
72.99180	3.3
73.02815	9.3
74.03117	0.3
75.00743	14.3
81.03333	0.4
83.01252	4.6
84.02023	0.6
85.02818	26.6
85.99967	2.0
86.03156	0.5
87.00748	10.9
87.04387	3.2
89.02311	11.3
95.01259	6.5
95.78543	0.3
96.95865	0.6
97.02827	0.8
99.00753	16.0
99.04388	0.7
101.02319	13.8
103.03888	3.2
111.00732	0.6
112.01569	1.6
113.02327	16.9
115.00267	0.6
115.03896	4.0
119.03380	2.4
125.02334	1.1
129.01804	0.3
131.03391	7.0
139.00258	1.6
143.03387	7.4
143.52133	0.3
145.05002	1.3
157.01285	1.3
161.04491	1.8
163.06006	2.2
205.07103	5.3
247.08249	0.4
302.93164	0.3
386.91357	0.3
409.31042	0.3
425.34229	1.2
451.20169	0.3
453.33844	0.6
471.35199	0.3
473.36325	0.8
631.38580	0.6
633.48956	0.3
939.49316	1.3
957.50549	100.0
958.50916	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	955.49
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	1.9
69.03310	1.6
69.41153	3.5
69.41551	1.0
71.01249	31.1
72.98885	0.4
72.99184	4.2
73.02431	0.8
73.02814	10.1
75.00740	13.2
83.01263	4.2
85.02818	27.0
85.99947	1.8
86.03112	0.5
87.00746	12.3
87.04395	3.2
89.01817	0.7
89.02316	11.0
95.01260	6.8
97.02809	1.3
98.20587	1.0
99.00751	15.8
99.04367	0.5
101.02313	15.7
103.03880	3.5
107.53915	0.4
108.16706	0.5
111.00739	0.8
112.01503	1.4
113.02322	18.6
114.02626	0.5
115.03899	4.9
119.03362	3.0
125.02314	0.8
126.75255	0.4
129.01904	0.5
131.03386	8.3
139.00233	1.9
140.52658	0.6
141.99544	0.4
143.02351	0.6
143.03404	8.3
145.04929	1.3
157.01309	1.6
161.04430	1.7
163.05966	2.6
181.20262	0.5
183.30998	0.5
205.07094	5.3
243.87787	0.5
451.31866	0.5
471.34772	0.8
629.36743	0.7
937.47955	1.5
955.48950	100.0
956.49255	25.6
956.69165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	1.8
69.03342	1.0
71.01250	29.7
72.99165	4.2
73.02817	8.2
75.00742	13.8
81.03321	0.8
83.01234	3.5
84.02022	0.6
85.02819	23.9
85.99953	2.1
87.00752	9.7
87.04388	2.8
89.02312	10.4
95.01247	5.1
97.02827	1.0
98.20547	2.0
99.00747	16.0
101.02323	11.5
102.02672	0.6
103.03887	3.2
105.18118	0.6
112.01576	0.8
113.02323	15.7
115.00256	0.9
115.03883	2.7
119.03381	2.2
129.01755	0.9
131.03395	6.4
139.00230	1.9
143.03395	6.2
145.04945	0.9
147.23375	0.6
157.01308	1.9
161.04494	1.3
163.05968	1.9
205.07053	4.6
220.61879	0.7
229.63676	0.8
246.78311	0.6
307.60385	0.6
377.10956	1.2
405.56647	0.7
407.29514	0.9
423.32690	2.2
427.10162	0.7
453.39600	0.8
817.57721	0.8
893.48096	0.8
937.48401	1.2
955.48981	100.0
956.49286	22.9
956.68909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	2.6
69.03300	0.7
71.01249	35.8
71.57400	0.8
72.99181	4.5
73.02812	7.7
75.00742	16.1
83.01247	4.5
85.02824	28.0
85.99972	2.1
87.00749	12.4
87.04386	3.0
89.02312	11.0
95.01254	6.7
96.95887	10.8
97.02836	1.4
99.00751	18.1
101.02322	12.4
103.03879	2.8
110.48017	0.7
112.01500	1.4
112.98767	0.7
113.02323	20.3
115.03886	2.1
119.03376	2.2
125.02306	1.1
131.03391	6.9
139.00244	2.0
143.03368	6.4
145.04913	0.8
152.60303	0.6
157.01369	1.4
161.04448	2.0
163.06007	2.0
172.17738	0.7
193.71587	0.6
200.00591	0.7
205.07072	4.7
377.28357	1.2
421.31042	2.4
449.30508	0.8
469.32654	1.2
496.02826	0.7
663.37567	4.3
935.27277	0.8
935.46790	1.8
953.47388	100.0
954.47681	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	953.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61160	0.4
72.61637	0.1
73.35069	0.1
73.57354	0.2
78.95776	22.2
93.17515	0.2
122.00013	0.7
134.98433	0.3
140.01077	6.1
152.99492	1.8
166.02629	0.2
196.03728	10.0
197.04057	0.2
214.04805	2.6
261.22195	0.5
277.21732	0.3
279.23276	100.0
280.23618	6.0
415.22220	0.2
476.27808	98.0
477.28101	7.2
477.35013	0.3
507.27441	0.4
953.49182	0.2
968.15729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45391	0.4
68.99693	2.3
69.03318	1.3
69.76855	1.5
69.77270	1.3
71.01256	31.8
71.04897	0.5
72.01597	0.5
72.99178	4.2
73.02824	10.2
75.00749	14.7
81.03287	0.6
83.01258	3.5
85.02826	28.5
85.99964	2.4
87.00750	12.6
87.04396	3.8
89.01822	0.7
89.02326	7.3
92.44221	0.4
95.01273	6.0
96.95909	2.8
97.02803	1.3
99.00763	16.7
99.04391	0.6
101.02327	11.8
101.02995	0.6
103.03883	2.3
111.00739	1.3
112.01583	0.7
113.02337	19.3
115.00240	0.6
115.03903	2.8
119.03394	2.1
125.02357	1.3
131.03397	5.4
139.00282	2.1
143.03394	6.2
145.04971	1.4
147.82526	0.4
151.03949	0.5
157.01355	2.2
161.04422	0.7
163.06020	2.3
205.07118	3.5
218.19402	0.4
320.77332	0.4
377.28665	0.5
423.32870	0.8
471.34854	0.8
491.50452	0.4
629.36108	0.6
656.47455	0.6
670.01288	0.5
811.45422	0.5
937.48340	1.2
955.49030	100.0
956.49347	19.5
956.69135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	0.9
68.99677	2.3
69.00035	0.7
69.03334	1.0
69.91914	3.5
71.01253	32.7
72.99185	4.3
73.02815	10.8
74.65469	0.7
75.00742	13.4
81.03361	0.7
83.01253	5.1
85.02818	23.2
85.99962	2.4
87.00748	11.5
87.04383	2.7
89.02312	13.2
94.88677	0.6
95.01257	6.3
97.02853	0.8
99.00754	18.6
101.02318	15.2
103.03905	4.7
103.04503	0.9
111.00809	0.8
112.01524	1.7
113.02322	17.1
115.03898	4.9
117.76932	0.6
119.03372	2.7
125.02320	0.9
131.03400	8.5
139.00284	1.5
143.03400	10.6
145.04939	1.5
152.30801	1.0
155.17163	0.6
157.01305	1.9
161.04443	1.4
163.06010	2.7
205.07091	5.3
300.99042	0.7
333.39017	0.7
545.02075	0.7
550.56335	0.7
574.69482	0.7
627.35834	0.9
953.47461	100.0
954.47638	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	953.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	0.7
68.99686	3.4
69.03333	2.0
70.92508	0.4
71.01256	42.2
71.21664	0.6
72.01588	0.5
72.99180	4.6
73.02821	12.4
75.00750	17.5
75.85500	0.3
81.03341	0.8
81.16140	0.4
83.01260	4.8
84.02037	0.3
84.51025	0.3
85.02827	35.4
85.99978	2.7
86.03144	0.5
87.00755	14.7
87.04378	4.2
88.01139	0.4
89.02316	10.6
95.01261	7.2
96.95921	0.7
97.02836	1.2
99.00760	20.6
99.04392	0.5
101.02326	15.7
101.03000	0.8
103.03887	2.8
111.00778	1.8
112.01531	1.5
113.02336	23.3
115.00240	0.5
115.03892	3.5
119.03389	3.0
125.02328	1.4
127.03882	0.4
129.01788	0.4
131.03400	8.3
135.65787	0.3
139.00279	2.4
143.03404	8.3
143.04507	0.5
145.04994	1.7
157.01376	2.0
159.02933	0.5
161.04439	1.2
163.06003	1.9
180.57280	0.3
191.05518	0.8
205.07121	4.6
247.08229	0.7
327.75464	0.3
405.27982	0.4
421.31207	0.6
441.73151	0.4
449.30359	0.6
469.33148	1.4
589.29474	0.4
935.46277	1.9
953.47510	100.0
954.47699	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	951.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	3.3
71.72167	0.7
73.02792	1.1
83.04884	1.3
87.00749	33.9
96.95879	2.8
98.19761	1.6
101.02346	1.0
111.04351	0.7
119.08516	1.6
133.02834	0.7
146.14061	0.7
155.27716	0.8
165.70256	0.7
173.09546	1.0
177.38670	0.8
189.12723	4.6
191.10709	1.1
215.10634	1.2
216.03886	0.7
217.12354	4.5
233.11827	1.5
235.13301	6.2
259.13351	0.9
261.11304	2.3
279.12360	100.0
280.12680	4.3
293.13925	6.9
321.13419	27.5
322.13708	1.4
423.16022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	1.0
68.83026	0.6
68.99692	2.7
69.03330	1.6
70.73672	0.8
70.74034	1.8
71.01256	36.6
71.89772	0.6
72.99190	4.8
73.02831	9.9
75.00749	14.4
81.03328	0.9
83.01256	4.9
85.02831	27.7
85.03349	1.4
85.99973	2.3
87.00761	14.5
87.04402	3.1
89.02316	11.3
93.03340	0.7
95.01269	6.2
96.95868	2.0
97.02824	1.7
99.00764	17.5
101.01686	1.2
101.02323	13.7
103.03886	3.4
111.00746	0.8
112.01563	1.6
113.02335	18.6
115.00252	1.1
115.03898	2.3
119.03397	3.1
125.02316	0.8
131.03404	7.2
139.00284	2.5
143.03418	7.8
145.04993	1.6
157.01300	1.6
161.04436	2.0
163.06081	3.0
164.17609	0.6
177.05394	0.8
205.07103	4.6
377.28336	1.3
421.31094	2.6
469.33148	1.0
663.39410	1.0
745.90002	0.9
761.87714	0.7
935.46490	1.1
953.47504	100.0
954.47797	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	949.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01748	0.3
69.03326	0.4
71.01250	3.8
72.99182	2.1
73.02814	0.6
75.00746	18.0
83.01228	0.7
84.02057	0.4
85.02824	19.8
86.03191	0.3
87.00755	1.3
95.01264	1.3
96.95889	1.6
98.96001	0.3
99.00789	1.8
112.01586	0.5
113.02329	11.6
115.00244	0.7
116.01031	2.1
117.01825	0.4
119.04920	0.7
121.05122	0.5
129.01820	0.6
157.01299	1.2
175.02402	0.6
180.71516	0.3
191.05498	0.3
256.03738	1.1
284.03256	2.8
299.05655	2.8
473.36658	0.4
649.39557	100.0
650.39929	14.3
695.30750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57679	0.5
78.95774	53.5
85.07748	0.3
96.95860	0.3
96.96835	6.3
96.97411	0.6
150.97903	1.9
152.99483	100.0
153.99831	1.1
171.00551	4.1
209.16029	0.3
231.52905	0.3
236.42265	0.3
265.21698	0.4
279.23215	1.3
433.23575	34.9
434.24054	2.4
486.30942	0.4
899.46924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35508	5.1
68.57058	5.3
69.45112	5.3
71.01261	8.6
71.56747	5.7
80.96357	8.3
96.95905	7.6
98.53986	5.9
101.02311	10.6
104.09140	6.6
163.53928	6.0
276.96808	6.9
298.85504	6.7
304.21613	6.1
341.23199	8.9
347.14975	5.6
478.21683	6.4
523.17108	7.3
569.46045	6.3
587.61847	5.5
603.39410	8.1
660.63446	7.0
749.44928	13.0
761.18878	7.2
911.49957	39.5
945.76300	6.9
947.47662	100.0
948.48352	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	945.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90765	1.4
71.01276	3.3
72.99194	2.0
73.02834	0.7
75.00747	19.0
75.61761	0.5
77.04704	0.6
83.01250	0.9
85.02825	18.9
87.00754	2.1
89.02332	0.8
89.91096	0.5
95.01257	1.5
99.00760	1.5
112.01540	0.9
113.02339	14.1
116.01064	1.6
157.01268	1.7
175.02382	1.2
241.38045	0.6
296.10367	0.6
323.24539	0.6
396.43579	0.6
397.14035	0.7
410.79208	0.5
608.67145	0.6
633.40094	100.0
634.40405	16.8
635.40674	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	947.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97266	0.4
70.24775	0.4
93.03323	2.3
96.95880	0.9
100.17263	0.4
108.91386	0.4
117.03343	10.4
119.04909	100.0
120.05247	3.2
121.99706	0.4
132.05763	0.5
143.04883	0.4
145.02847	63.4
146.03148	1.9
159.06900	0.5
159.07996	2.1
197.16176	0.4
202.08626	1.1
260.19617	0.4
285.04114	0.7
285.15921	0.6
313.19244	1.6
353.18704	1.8
356.19711	3.7
373.22311	0.7
396.19098	1.3
398.56302	0.4
399.15500	0.7
399.20367	10.7
400.20563	1.4
459.23001	2.7
502.23434	5.8
503.24213	0.9
519.25800	1.1
545.15656	0.7
545.24036	12.6
546.24493	1.8
639.31842	1.1
665.29700	15.0
666.29993	2.4
785.35492	66.1
786.35797	16.4
804.85608	0.4
947.40466	2.9
948.40906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	53.9
82.26070	0.2
89.53429	0.3
96.95893	0.2
96.96841	5.7
149.49959	0.2
150.97899	1.6
152.99487	100.0
153.99800	0.7
171.00554	3.7
171.10329	0.3
209.11682	0.5
225.46606	0.2
226.93236	0.2
227.12857	0.3
234.27011	0.3
238.87202	0.3
244.71602	0.2
277.21744	1.4
287.18704	0.7
431.22025	32.0
432.22354	2.3
642.48944	0.2
657.77277	0.3
929.83795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.5
70.23043	0.8
71.01253	18.3
71.04905	2.2
71.59474	1.5
72.99169	1.4
73.02819	3.9
75.00739	1.1
81.03339	1.2
83.01252	2.1
83.04871	1.0
85.02801	4.3
87.00754	8.4
89.02306	9.8
93.80489	0.9
95.01281	1.9
95.04922	1.3
97.02814	12.4
97.06476	3.8
99.00752	26.1
101.02322	12.3
109.06448	1.7
110.03632	1.7
111.04375	1.2
113.02310	5.3
119.03355	2.3
123.07993	1.8
125.02341	7.4
125.09606	7.4
135.08012	1.3
136.05196	2.0
142.02603	2.9
143.03419	1.4
150.07715	0.9
161.04466	1.7
163.11183	10.1
164.11444	1.3
179.05487	2.0
179.10701	1.3
181.12247	21.4
182.12584	1.3
199.13333	4.4
207.10197	58.0
208.10493	3.3
221.06560	1.3
225.11266	90.2
226.11612	3.3
235.08200	4.3
243.12340	30.8
263.07706	1.8
277.21707	65.8
277.46405	1.0
278.21964	5.5
379.12451	2.7
397.13559	11.0
415.14609	1.8
605.24481	21.1
606.24731	1.6
623.25549	10.0
624.25482	1.2
675.36115	1.2
726.77856	1.1
883.46899	100.0
884.47052	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	945.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	0.9
69.57555	5.3
71.01248	29.9
72.01589	1.1
72.99153	1.1
73.02815	18.0
80.37978	0.9
83.01247	6.1
83.04910	1.0
85.02822	9.0
87.00751	1.9
89.02291	6.1
94.39876	0.8
95.01295	2.0
95.04893	2.5
96.48942	0.9
96.95872	1.2
97.02841	4.4
98.20535	1.1
99.00750	2.0
99.23073	0.9
101.02314	16.8
101.77400	0.8
108.05694	2.1
109.02870	1.0
109.06455	1.2
113.02319	13.0
113.05942	2.8
119.03413	2.2
123.08048	2.2
125.02360	1.1
125.05952	2.4
131.03397	1.0
136.05170	3.0
138.06772	20.1
139.07555	7.5
143.03387	1.6
149.04463	2.1
149.05898	0.9
151.07541	15.0
152.04688	1.2
152.08331	25.9
153.09108	100.0
154.09427	3.5
154.34094	0.9
161.04451	6.9
161.09720	0.9
163.11188	2.5
165.09102	3.1
167.07047	2.5
190.09993	1.4
203.05533	3.7
205.10298	1.1
205.12268	38.8
206.12560	2.4
223.13336	41.4
224.13666	1.9
289.57468	0.8
361.82748	0.9
367.17560	41.0
368.17819	3.5
369.19180	1.3
385.18637	10.3
386.18860	1.4
387.20151	5.0
427.19678	78.1
428.20099	7.3
429.21457	6.0
471.18591	2.6
513.28516	0.9
518.87476	0.9
527.49048	1.0
553.25909	0.9
763.28082	1.0
973.30243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.5
68.99678	2.1
69.03321	1.2
70.91787	1.5
71.01247	35.1
71.78377	0.5
72.99168	4.8
73.02816	10.3
75.00740	15.5
81.86031	0.5
83.01250	4.1
85.02817	26.5
85.99946	2.4
87.00740	12.4
87.04375	3.4
89.02311	10.5
89.02832	1.0
95.01258	6.8
96.95884	4.5
97.02809	1.2
99.00748	15.7
99.04395	0.6
101.02312	13.1
103.03901	2.6
112.01550	1.8
113.02319	17.1
115.00274	0.5
115.03291	0.4
115.03915	3.9
117.86524	0.4
119.03388	1.8
120.66373	0.5
125.02316	0.8
127.03896	0.6
131.03383	6.9
133.04701	0.5
139.00252	1.6
143.03378	7.8
145.04901	1.7
151.03862	0.5
157.01288	1.7
161.04472	2.1
162.03172	1.1
163.05994	2.8
177.05524	0.8
195.06659	0.6
205.07106	4.2
247.08209	0.6
459.34860	0.8
479.07565	0.6
547.74152	0.6
925.47449	1.7
943.48962	100.0
944.49237	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	2.0
69.55569	0.9
71.01254	17.1
71.04882	2.3
71.57783	1.2
72.99171	1.6
73.02834	2.7
75.00732	1.5
81.03331	1.0
83.04876	1.1
85.02832	4.6
87.00750	6.9
89.02318	7.6
95.01271	1.2
97.02835	11.9
97.06459	2.0
99.00758	21.9
101.02309	11.0
109.06477	1.9
110.03606	1.6
113.02325	5.7
119.03363	2.1
123.08051	1.8
125.02357	8.0
125.09591	6.0
136.05156	2.1
137.02390	1.0
137.63284	1.0
142.02647	3.0
143.03426	1.7
149.21548	0.9
161.09518	1.4
163.11180	12.3
179.05589	1.2
181.12253	23.8
182.12590	1.3
192.09570	0.9
193.28180	1.1
197.11719	1.5
199.13347	4.1
200.44997	1.1
207.10205	69.0
208.10463	2.2
221.06549	1.3
223.13271	1.2
225.11276	100.0
226.11481	5.1
235.08221	2.6
243.12360	37.9
253.09404	1.2
263.07739	1.6
267.12256	1.5
277.21719	50.4
278.22070	3.6
317.16058	2.6
335.17636	1.5
379.12524	1.6
397.13434	8.5
415.14795	1.6
605.24493	28.6
606.24847	3.7
623.25623	28.2
623.65430	1.1
624.25732	4.5
700.17426	1.2
754.92249	1.3
883.46991	94.3
884.47473	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	943.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.5
70.52210	1.2
71.01254	23.8
72.01616	0.5
72.99191	0.7
73.02821	15.8
75.00742	0.6
83.01256	5.3
83.04923	0.9
85.02827	6.8
87.00738	1.0
89.02309	4.5
95.01290	1.6
95.04922	1.6
96.10693	0.5
96.95877	2.2
97.02831	3.9
99.00765	1.4
101.02328	13.2
101.02993	0.7
107.04912	0.9
108.05710	1.5
109.02849	0.7
109.06460	2.1
111.04405	0.8
113.02328	10.3
113.05962	2.2
119.03381	1.1
119.04901	0.7
121.06495	0.5
122.03671	1.2
123.08044	2.8
125.02364	1.1
125.06010	1.8
131.03403	0.8
133.41806	0.6
135.08081	0.8
136.05205	3.3
137.05920	1.1
138.06773	19.3
139.07571	7.3
143.03391	1.1
149.04527	0.6
149.05978	0.8
151.03922	0.7
151.07558	16.8
152.04706	1.3
152.08342	25.7
153.09120	100.0
154.09439	2.9
159.02859	0.6
161.04431	4.9
161.09627	0.9
163.11206	1.3
165.09128	2.8
167.07071	1.6
169.39258	0.6
187.11229	0.8
189.09215	1.2
190.09908	1.4
199.33501	0.4
203.05553	3.4
205.12276	34.8
206.12671	1.6
223.13351	30.2
224.13765	1.1
237.29103	0.5
267.64890	0.6
292.24411	0.5
339.04944	0.6
367.17618	34.3
368.17975	2.0
377.75446	0.6
385.18680	9.7
386.19785	0.5
427.19714	61.2
428.20004	5.0
436.37952	0.5
471.18848	1.3
476.03995	0.6
616.76410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97467	0.6
69.03320	4.0
70.42950	0.6
70.98091	1.3
71.01248	86.2
72.01593	0.6
72.99162	3.9
73.02814	86.2
74.03152	1.0
75.00747	1.1
81.03329	1.1
83.01250	31.9
83.04878	0.7
85.02808	10.8
85.06467	1.5
86.01518	0.7
87.00723	3.6
89.02312	12.9
95.01252	4.6
95.04906	0.5
96.95882	8.4
97.02841	2.2
97.04586	0.5
98.95442	1.5
99.00796	1.4
99.04369	0.8
101.02314	80.6
102.02636	0.9
103.03934	0.6
106.04116	1.1
107.04906	15.5
108.05293	0.7
109.06483	1.0
111.04452	1.2
113.02321	34.1
114.02673	0.6
117.01786	0.7
119.03388	7.3
119.04889	1.9
121.06474	1.0
123.04371	1.8
123.08091	1.5
125.02308	4.2
131.03375	7.8
133.02866	1.4
135.08046	2.9
137.05971	2.4
137.09590	0.6
143.03383	8.1
147.08038	2.0
149.04459	9.7
149.05977	11.2
151.03911	2.7
155.03387	2.5
161.04448	18.9
161.09607	1.2
162.06769	0.8
163.11189	13.2
165.05420	0.9
165.09088	1.1
167.07115	0.7
175.03925	1.7
175.05525	0.6
175.07503	1.4
177.12753	2.3
187.11179	7.3
190.09930	1.9
191.05614	0.8
193.04929	2.2
194.05295	0.7
203.05533	2.4
205.12262	100.0
206.12598	5.2
221.06566	3.4
221.97975	0.6
223.13358	5.6
260.89700	0.6
306.85321	0.7
313.09293	2.8
341.42361	0.6
355.10358	1.4
415.12408	1.7
427.19623	1.6
471.20889	0.6
589.71735	0.7
671.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
74.64890	0.2
78.95777	4.3
93.51854	0.2
98.19796	0.4
110.98407	3.6
137.00067	0.2
152.99495	0.5
167.01083	1.8
185.02150	3.4
255.23222	0.2
261.22211	0.5
277.21701	1.7
277.26526	0.2
278.22095	1.6
279.23285	100.0
280.23624	6.5
289.82407	0.2
364.51401	0.2
420.88974	0.2
445.23550	1.1
446.23853	1.0
447.25146	42.7
448.25494	3.2
480.31332	0.2
638.35699	0.2
973.47076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38758	5.7
71.01237	1.7
73.02857	0.9
79.95622	1.4
85.02827	1.1
89.02309	1.0
96.95889	38.7
97.95831	0.8
98.95467	10.0
98.96291	1.4
101.02329	1.4
104.36145	0.6
107.01273	1.0
113.02325	1.3
117.03352	2.3
135.04404	1.0
147.50514	0.7
151.00279	0.9
159.04407	1.5
161.02425	1.3
162.03152	0.8
165.05499	0.8
177.05492	0.9
180.64063	0.7
183.04539	0.9
191.05557	1.0
212.33832	0.7
215.10603	0.7
221.52533	0.7
225.05537	1.3
268.03778	10.8
269.04544	100.0
270.04846	5.6
299.17627	0.7
311.05597	3.2
318.10898	0.8
473.10800	10.6
474.11218	0.9
676.65778	0.8
701.28058	0.9
863.33746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.6
68.99693	1.7
69.03334	1.5
70.50174	0.4
70.50568	0.7
71.01255	37.2
71.04905	0.2
72.01600	0.5
72.99183	4.2
73.02819	10.5
73.22640	0.2
73.99588	0.2
75.00748	16.4
81.03336	0.4
83.00794	0.3
83.01263	4.2
84.02058	0.6
85.02824	31.6
85.99966	3.0
86.03170	0.5
87.00753	12.8
87.04395	3.5
89.02323	7.1
89.02879	0.3
95.01263	6.8
97.02838	1.0
99.00758	17.2
99.04403	0.5
100.01080	0.2
101.02325	13.7
101.99496	0.2
103.03880	2.8
109.02841	0.3
111.00750	0.8
112.01545	1.2
113.02332	17.7
114.02673	0.4
115.00266	0.5
115.03899	4.6
119.03409	1.8
125.02356	0.8
127.03902	0.5
129.01825	0.4
131.03400	7.0
132.03709	0.2
139.00264	1.9
143.03404	7.6
145.04948	1.1
157.01335	1.5
159.02939	0.4
161.04482	1.4
163.06047	2.0
182.02864	0.2
202.16516	0.2
205.07117	4.6
218.70381	0.2
247.08139	0.4
278.36899	0.2
391.30038	0.4
407.33157	0.5
437.34286	0.9
457.36942	0.8
477.25531	0.2
501.35666	0.3
597.38220	0.4
615.38971	0.5
745.92615	0.2
795.45892	0.3
879.50842	0.4
923.50018	1.3
941.51154	100.0
942.51440	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	941.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.5
68.99683	2.0
69.03316	1.6
69.39458	3.8
71.01248	33.0
72.99176	3.7
73.02812	10.6
73.14204	0.4
75.00744	14.1
83.01246	3.5
84.02027	0.6
85.02818	29.2
85.99954	3.3
87.00739	12.4
87.04387	3.1
89.02309	7.6
93.03307	0.7
95.01250	5.5
96.95894	3.2
97.02822	0.9
99.00748	17.0
99.04350	0.9
101.02317	12.2
103.03856	2.3
111.00752	0.8
112.01514	0.5
113.02319	17.6
115.00208	0.5
115.03876	3.3
119.03381	1.9
125.02338	1.6
131.03375	6.0
139.00262	1.8
143.03412	7.1
145.04955	1.2
149.02325	0.5
150.03107	0.5
157.01323	1.3
159.02870	0.6
161.04486	0.5
163.06075	2.3
191.05531	1.0
205.07108	3.5
230.30614	0.5
274.99701	0.5
285.27191	0.5
358.44098	0.5
437.30396	0.8
449.14322	1.3
457.33029	0.8
480.50250	0.5
615.35095	1.1
827.90356	0.6
879.46265	0.6
884.92371	0.6
923.46716	1.3
941.47400	100.0
942.47711	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	939.642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.8
71.58649	0.7
79.01340	0.4
81.03295	0.5
83.04890	0.8
89.02285	0.4
96.95884	1.1
128.18878	0.4
133.02852	0.7
135.04401	0.5
161.02321	1.3
161.04536	0.4
175.93005	0.4
179.03348	0.7
225.16068	0.9
347.14926	0.4
451.32959	0.6
454.02216	0.4
625.91968	0.5
903.66254	2.6
904.66956	0.6
938.04352	0.5
939.64105	100.0
940.64429	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	941.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	0.7
68.99685	2.6
69.03313	1.7
69.50423	2.8
71.01251	36.3
72.99178	4.8
73.02814	9.6
75.00745	15.4
75.01176	0.6
79.81812	0.4
81.03322	0.6
83.01257	4.7
83.04861	0.4
84.02035	0.6
84.97588	0.4
85.02822	29.7
85.99951	2.6
86.03184	0.7
87.00747	11.1
87.04386	3.9
89.02314	9.3
94.05679	0.4
95.01258	5.9
96.95881	7.5
97.02820	1.2
99.00748	17.0
99.04388	0.9
101.01686	0.8
101.02323	13.5
103.03883	3.5
111.00732	1.0
112.01542	1.0
113.02330	17.5
115.00240	0.9
115.03880	4.0
119.03378	2.6
120.73667	0.4
125.02290	0.9
127.03883	0.4
131.03389	6.8
135.04411	0.4
139.00255	2.0
143.03404	6.1
145.04906	1.0
157.01314	1.5
161.04448	1.6
163.06032	2.5
205.07092	5.2
233.06668	0.4
247.08124	0.6
391.30029	0.5
407.29388	0.7
409.31152	1.2
437.30481	0.6
457.32990	0.9
473.16751	0.4
537.68872	0.4
615.35413	1.3
753.39642	0.5
861.79913	0.4
923.46564	1.2
941.47424	100.0
942.47882	16.8
942.67291	0.7
951.91608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88034	0.8
68.24645	0.9
68.99667	2.5
69.03316	1.5
70.05441	3.4
70.05862	1.9
71.01250	34.4
72.99169	3.7
73.02815	8.1
75.00744	11.8
82.90628	0.9
83.01248	4.1
85.02820	25.6
85.99974	1.6
87.00749	11.6
87.04378	2.7
89.02316	8.5
89.32288	0.9
95.01258	6.9
96.95890	4.4
97.02826	1.0
97.99767	1.0
98.95448	1.0
99.00755	17.3
101.02320	12.5
102.95358	1.0
103.03862	2.7
105.38714	0.8
106.46329	1.1
111.00681	1.3
112.01527	1.1
113.01608	1.3
113.02325	15.8
115.00242	1.1
115.03886	2.2
116.47845	1.0
119.03352	3.9
131.03391	6.3
139.00217	2.7
143.03355	7.7
145.04964	1.0
150.91479	1.0
163.06013	2.9
175.50038	1.0
184.01219	1.0
191.05399	1.0
205.07121	5.1
211.05867	1.0
261.89743	1.0
306.06018	0.9
941.47406	100.0
942.47607	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	933.6949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58491	1.4
74.15987	1.0
77.30195	0.9
78.91121	1.0
109.64752	0.9
110.55184	0.9
127.79430	0.9
133.48625	0.9
145.76251	0.9
246.12918	1.0
368.82687	1.1
407.33356	2.5
418.08633	1.2
455.35275	100.0
456.35693	9.2
880.50580	1.1
933.69434	67.4
934.69788	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	935.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.2
70.72700	4.0
71.01251	84.3
72.01608	1.5
72.47018	1.2
72.99166	2.9
73.02818	80.1
75.00733	1.8
75.12537	1.2
81.03317	1.9
83.00797	2.2
83.01258	28.0
83.04867	2.8
85.02808	10.5
87.00742	3.7
89.02322	12.4
95.01256	3.7
96.95885	8.8
97.02824	3.5
99.00741	1.9
101.02322	78.6
107.04920	11.7
109.02842	2.5
113.02335	33.4
119.03403	9.3
123.04365	2.1
123.07998	1.9
125.02332	4.1
131.03401	8.1
134.03644	1.5
135.04373	1.9
135.08006	2.0
137.05962	3.1
143.03407	8.5
147.08069	2.2
149.00757	1.4
149.04468	11.1
149.05997	7.6
155.03343	3.4
158.92220	1.3
161.04459	18.6
163.11209	14.1
165.09177	1.8
165.12718	2.0
177.12740	2.7
179.05457	1.5
187.11221	5.8
203.05521	2.3
205.12276	93.0
206.12628	3.9
208.91443	1.2
209.11768	100.0
210.12047	2.9
220.91019	1.2
221.06573	3.7
223.13356	6.9
227.12842	11.6
253.09242	15.5
298.27637	1.3
427.19751	2.5
436.98849	1.3
445.20767	2.8
452.99768	1.3
466.22235	1.5
697.82355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	2.3
69.03313	1.4
70.55565	2.0
71.01253	36.5
72.01583	0.6
72.99178	5.7
73.02438	0.7
73.02819	8.9
75.00748	16.1
75.95737	0.5
83.01250	5.2
85.02825	29.1
85.99947	2.2
87.00755	15.2
87.04398	3.3
89.02319	9.8
95.01266	7.2
96.95876	0.9
97.02834	1.6
99.00759	20.4
101.02325	15.1
103.03885	2.7
111.00773	0.9
112.01551	1.7
113.02329	20.2
115.00243	1.2
115.03881	3.7
119.03368	2.9
125.02348	1.5
131.03415	7.0
139.00279	1.6
143.03395	7.2
145.04956	1.8
145.37180	0.6
151.98083	0.5
157.01305	1.6
158.54303	0.6
161.04472	2.3
163.06013	2.3
205.07076	5.0
239.96495	0.8
247.08084	0.9
250.87775	0.5
274.14233	0.6
341.70062	0.6
391.26190	0.8
455.31555	0.9
613.33551	0.9
646.62170	0.6
891.69147	0.7
921.45245	1.2
939.45990	100.0
940.46234	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	939.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01729	0.4
68.99693	1.8
69.03322	1.2
70.60617	0.6
70.60965	0.7
71.01254	33.7
72.01592	0.4
72.99181	4.6
73.02818	8.3
75.00747	13.8
83.01261	4.8
84.02019	0.5
85.02823	28.2
85.99972	2.4
86.03185	0.4
87.00753	11.6
87.04387	2.5
89.01817	0.7
89.02322	8.5
95.01261	6.8
97.02810	0.7
98.20496	0.4
99.00756	16.5
99.04372	0.9
101.02323	12.7
103.03885	3.3
111.00762	0.9
112.01539	1.4
113.02332	17.7
114.02629	0.4
115.00224	0.8
115.03902	3.6
119.03396	1.9
125.02306	0.8
125.57555	0.3
127.03887	0.5
129.01823	0.3
131.03392	6.5
139.00266	1.4
143.03407	6.8
145.04968	1.4
157.01328	1.5
161.04485	1.1
163.06064	2.3
205.07100	4.2
216.64940	0.4
287.22302	0.4
391.30063	2.0
407.33157	2.4
435.32480	1.0
455.35364	0.8
613.37488	0.7
921.48151	1.3
939.49597	100.0
940.49866	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	929.512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	25.1
71.57379	2.0
71.57839	3.2
72.99194	4.1
73.02834	5.3
83.01292	2.5
85.02818	4.6
87.00756	8.2
89.02309	22.9
95.01238	2.7
96.95867	4.1
97.02821	3.8
101.02319	26.5
113.02327	9.1
119.03404	6.1
125.02309	9.9
135.49785	2.1
143.03351	4.4
154.66737	1.9
161.04439	6.7
179.05545	5.5
195.13857	4.5
221.06624	2.0
231.21014	3.6
235.08163	9.0
243.99432	1.8
275.20157	61.4
276.20474	4.7
287.07904	4.2
305.08438	2.2
366.53018	2.2
397.13516	100.0
398.13904	4.6
415.14575	38.4
416.14819	3.2
473.39392	2.8
655.50342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	17.8
72.10314	1.0
72.99178	2.0
73.02818	2.3
83.01247	2.3
85.02806	5.0
89.02316	11.4
91.74831	0.8
93.03348	1.6
95.01277	2.2
96.95863	1.7
101.02306	9.2
113.02327	5.8
117.29139	0.8
119.03394	3.9
132.18726	1.1
132.42049	0.8
143.03395	1.2
145.02818	1.4
149.04413	1.1
161.04453	2.2
179.05511	6.1
267.06573	1.5
280.07312	1.3
282.08765	1.6
283.09665	1.1
293.07944	1.6
295.09650	1.5
309.11380	1.1
311.09097	1.6
314.07928	1.8
326.11566	7.5
327.12329	6.8
341.14011	8.2
346.60452	1.1
355.11823	3.7
378.85352	1.3
473.14572	1.8
485.18051	2.7
488.16937	6.6
503.19214	100.0
504.19434	6.4
545.20319	15.5
550.62823	0.9
571.82953	1.0
595.03949	1.1
609.98975	1.1
681.42133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	12.3
72.99166	2.0
73.02808	2.3
75.00758	1.3
78.95764	1.1
85.02802	2.6
87.00748	2.4
89.02306	7.8
96.95866	2.9
97.02810	1.7
101.02326	7.8
113.02301	6.5
119.03404	2.3
125.02304	4.2
161.04501	2.4
179.05540	2.8
183.13797	10.0
195.13826	9.1
197.85162	1.0
211.40593	1.2
213.14893	100.0
214.15202	3.6
221.06467	1.2
235.08173	4.4
246.45862	1.2
267.15427	1.1
277.21722	41.3
278.22049	3.1
287.07605	3.0
305.08801	2.2
323.09692	1.3
379.12512	7.3
397.13480	36.8
398.13873	1.5
403.46729	1.2
415.14584	10.5
473.36389	1.3
506.83984	1.3
593.27960	2.1
611.28857	3.0
657.35309	1.2
675.35858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88837	3.6
71.01255	12.5
71.01615	1.6
73.02792	1.5
83.01279	2.2
85.02824	3.9
87.00747	2.4
89.02314	7.8
91.91645	1.4
96.95860	1.9
97.02793	2.8
101.02316	10.9
113.02353	6.3
119.03393	3.7
125.02347	4.3
143.03407	1.8
161.04466	2.9
179.05421	1.5
183.13853	11.6
195.13818	9.3
203.39438	1.2
209.44592	1.2
213.14909	100.0
214.15227	4.2
235.08183	4.0
277.21722	42.3
278.22079	2.7
287.07794	1.8
287.52597	1.1
305.08728	2.1
319.83987	1.3
379.12433	6.8
397.13425	36.8
405.95721	1.5
415.14526	10.1
473.36423	1.4
611.29297	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54272	0.8
71.54617	0.8
78.95782	8.4
96.96864	0.8
104.30280	0.6
110.86666	0.6
152.99495	21.1
154.13737	0.6
170.71461	0.6
171.00543	1.1
227.03322	3.4
229.52791	0.6
245.04350	1.4
255.23270	100.0
256.23593	5.5
279.23456	0.9
483.27301	76.3
484.27530	5.4
520.96735	0.6
529.67664	0.8
555.28723	0.7
758.61377	0.8
900.09967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	4.8
71.01250	60.2
71.58753	1.6
72.01584	0.9
72.99176	2.7
73.02813	35.4
75.00749	1.2
81.03316	1.3
83.01256	14.0
83.04913	1.2
85.02818	22.9
87.00751	7.2
89.02311	10.1
95.01257	4.2
95.04933	1.3
96.95882	3.9
97.02837	3.0
97.44147	1.0
99.00745	6.4
99.04386	1.3
101.02316	41.8
107.04913	3.2
109.29561	0.8
111.08011	3.0
113.02320	24.6
118.39353	0.9
119.03407	3.6
121.06469	0.9
125.02333	3.6
129.01840	1.1
131.03400	1.9
135.04387	1.9
136.05197	1.3
137.09630	1.8
141.01805	1.2
143.03374	4.3
147.08055	1.3
148.05162	2.4
149.04445	2.5
151.11166	2.0
153.12761	2.7
155.03430	2.0
159.02809	3.1
161.04460	12.2
161.05679	1.5
161.09596	1.5
163.11185	39.7
164.11510	1.8
165.09123	5.4
165.12749	2.0
171.08041	2.9
181.12248	100.0
182.12582	5.0
187.11200	15.8
189.12767	20.9
190.09897	22.6
191.10295	1.1
203.05548	7.9
203.10744	1.2
204.11377	4.1
205.12263	32.5
206.12627	2.1
209.15384	2.2
209.20985	0.8
223.13351	11.4
229.12302	6.3
231.13774	1.5
241.14574	1.2
247.13344	10.4
259.13242	1.7
289.14395	1.4
325.16479	1.7
349.16565	17.2
349.35001	0.9
353.19687	11.5
367.12976	1.9
367.17551	23.8
368.18167	1.5
371.20728	15.4
372.20831	2.3
385.18747	4.4
409.18680	4.1
410.19260	1.0
413.21799	40.5
414.21979	4.6
427.19678	49.9
428.19958	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	927.4955
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.79073	1.1
68.99684	1.8
69.53343	8.9
71.01248	31.7
72.99176	3.8
73.02793	1.4
75.00745	12.9
83.01253	4.6
85.02820	24.1
87.00758	5.7
89.02311	13.4
90.14274	1.1
92.05727	1.1
95.01250	5.1
96.95840	1.5
97.02841	1.2
97.76227	1.2
98.20528	2.4
99.00762	17.2
101.02316	17.2
111.00692	1.2
113.02322	19.9
118.77835	1.1
119.03337	2.2
125.13045	1.0
129.01825	1.3
131.03389	18.8
139.00255	3.0
149.04430	2.3
161.04480	2.7
191.05521	6.0
235.18748	1.3
577.58844	1.2
583.26947	1.4
731.85016	1.2
927.49500	100.0
928.31952	0.8
928.50012	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	927.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99698	1.9
69.54485	8.3
71.01254	30.7
72.99175	3.6
73.02811	2.6
75.00748	15.2
83.01265	3.7
85.02337	1.9
85.02825	25.0
85.91334	1.0
85.99936	1.2
87.00738	3.8
89.02322	12.4
95.01275	6.5
96.95892	2.4
99.00750	15.0
101.02314	15.4
103.34257	1.0
103.37542	1.0
113.02332	18.2
115.67136	1.2
119.03371	2.0
129.01804	2.0
131.03391	21.1
139.00330	1.2
149.04416	2.9
161.04494	2.1
161.78387	0.9
163.05618	1.0
191.05528	6.9
202.69191	1.0
277.68320	1.1
309.75558	1.0
547.47095	1.1
909.48859	1.7
927.49536	100.0
928.49725	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	925.6253
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61047	0.6
70.61406	0.5
81.28662	0.2
86.44728	0.3
113.05135	0.2
167.14268	0.3
177.12772	0.6
183.13821	17.1
184.14212	0.4
195.13829	24.8
196.14131	1.5
209.11717	0.4
211.13371	0.6
213.14893	100.0
214.15251	3.5
253.09297	0.2
279.23264	2.6
409.29562	57.9
410.29916	5.5
455.87195	0.2
523.00470	0.3
561.81750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	7.6
71.01250	26.3
72.99184	2.3
73.02807	4.4
83.01257	4.1
83.04893	1.6
85.02834	7.1
85.72202	1.3
87.00748	6.0
89.02316	21.8
97.02830	3.8
99.00741	1.5
101.02316	21.7
107.92933	1.1
113.02328	10.3
119.03415	4.8
125.02354	7.5
133.02864	3.2
141.72571	1.6
143.03380	2.0
161.04428	5.6
165.12735	5.4
179.05508	6.9
181.12219	7.2
191.10732	10.2
209.11758	100.0
209.56587	1.5
210.12140	2.4
221.06548	2.7
229.46556	1.4
235.08191	9.8
269.17624	10.3
277.21701	86.4
278.21994	4.9
287.07629	2.4
305.08768	2.1
310.62604	1.5
323.09811	2.4
379.12344	11.9
397.13498	63.4
398.13510	1.5
415.14548	13.5
525.71112	1.5
589.25043	9.4
607.25934	4.9
657.36108	1.9
675.36084	3.7
873.94849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41928	0.4
69.58797	3.7
78.70148	0.4
78.95774	26.0
110.98439	2.4
121.99998	1.2
129.44402	0.4
140.01093	6.3
148.46964	0.4
152.99467	1.7
185.02145	2.1
195.15063	0.4
196.03726	9.7
214.04730	1.8
259.20636	0.6
277.21704	56.4
278.22028	4.7
279.23273	100.0
280.23642	7.0
422.87180	0.5
445.23553	25.6
446.24014	2.7
465.12057	0.5
476.27817	87.1
477.28104	8.5
720.49097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.413
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67248	0.2
69.03332	0.2
69.29845	1.9
69.96291	0.2
71.01249	3.3
72.65158	0.2
72.99166	0.2
73.02816	2.6
83.01259	0.6
85.02818	0.5
88.41419	0.2
89.02330	0.3
96.95886	0.5
97.02777	0.2
98.20484	0.4
101.02334	1.5
113.02334	0.8
125.02336	0.5
139.07706	0.2
143.03383	0.4
155.03415	0.3
161.04355	0.2
165.19997	0.2
167.14282	0.5
177.12796	0.3
183.13824	10.1
184.14127	0.5
191.14359	0.3
193.15926	0.3
195.13832	10.2
196.14174	0.4
197.15381	0.5
203.05542	0.8
207.13733	0.2
209.15469	0.5
211.13264	0.3
213.14897	100.0
214.15251	3.8
223.16965	0.4
227.16519	1.7
237.14864	1.3
249.14917	0.3
255.15944	2.0
256.16397	0.2
267.16052	0.6
338.55176	0.2
375.20218	0.2
377.47455	0.2
417.21237	0.8
428.19958	0.2
497.91974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10088	1.3
68.99669	1.8
71.01248	32.2
72.99173	4.9
73.02825	7.9
75.00742	13.4
83.01244	3.7
85.02825	28.6
85.99969	2.6
87.00764	12.2
87.04394	2.5
89.02316	8.1
91.47615	1.3
93.84372	1.2
95.01244	5.2
96.95893	5.7
97.02803	1.6
99.00740	13.5
101.02307	11.4
103.03905	1.9
106.30087	1.2
113.02314	15.8
115.03841	3.4
119.03424	1.3
125.02321	1.6
128.78317	1.4
131.03381	4.9
139.00282	1.4
143.03375	8.0
145.04974	1.5
157.01283	2.1
158.43225	1.4
163.06021	2.0
205.07118	4.2
391.30005	5.7
469.68112	1.5
623.00708	1.4
905.43610	1.7
923.46405	100.0
924.46478	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	1.0
69.03297	1.1
71.01250	100.0
71.58593	1.1
72.01603	1.1
72.99176	1.6
73.02808	4.1
79.95560	0.8
80.96400	1.2
81.03308	1.8
83.01250	2.8
85.02821	4.2
87.00772	4.6
89.02312	15.5
89.02831	1.3
95.01294	1.5
97.02814	4.7
99.00746	2.0
99.05197	0.9
101.02316	12.9
109.06476	5.5
113.02337	9.5
119.03381	4.6
125.02349	7.0
125.09613	3.3
127.11183	2.8
137.09607	1.5
143.03400	2.4
153.09119	1.5
155.10594	2.0
161.04474	4.0
163.11172	2.6
169.74289	1.1
171.10176	56.5
172.10480	1.5
179.05527	4.1
181.12254	2.1
199.09677	9.0
199.13393	1.4
200.10059	1.2
201.11250	17.5
207.10191	18.3
221.06570	3.3
225.11292	14.7
235.08157	3.8
243.12332	2.1
260.90503	0.8
277.21707	44.6
278.22064	4.0
287.07837	1.0
305.08859	0.9
323.09793	1.4
348.87787	1.0
379.12518	5.1
397.13483	30.1
397.18591	1.8
398.13834	1.9
415.14487	10.6
577.27020	1.6
579.22675	1.0
597.23993	1.5
605.24945	1.8
623.25415	2.4
883.47119	6.7
884.47845	2.4
919.48895	8.3
920.49377	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	921.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82047	1.4
69.15784	1.5
70.92011	2.8
70.92321	1.9
71.01250	20.4
72.99186	2.5
73.02816	13.6
83.01251	4.6
85.02799	4.5
85.29850	1.8
87.00746	2.8
89.02276	3.1
96.95874	8.2
99.00681	1.8
101.02320	10.9
103.74450	1.6
106.06496	4.8
107.03636	2.3
108.04420	1.9
113.02319	4.9
122.06032	10.2
132.04405	2.6
134.06006	30.2
135.04427	2.0
152.07063	4.7
160.03836	1.9
160.06313	1.6
180.06458	1.8
190.05005	2.6
213.10271	6.1
216.89366	1.7
223.08826	1.9
225.10246	4.7
237.10144	4.0
239.11827	5.4
241.13409	4.7
249.10219	3.1
250.07530	2.3
251.08141	3.0
251.11806	4.1
252.08875	4.0
253.09741	5.7
263.08148	4.1
264.08936	3.8
265.09753	6.1
267.11411	3.9
269.42462	1.9
277.09720	6.7
278.10513	4.3
279.07715	5.0
279.11334	8.5
285.12363	9.2
291.11731	1.8
292.08395	2.7
293.09344	15.7
294.09970	5.1
295.10767	6.3
296.11307	2.9
305.09299	3.9
307.10843	6.0
309.12286	2.1
314.12567	2.3
321.08694	3.8
339.09744	3.5
342.07159	1.8
351.09799	2.3
358.15723	3.7
384.13528	4.2
400.16476	6.2
412.16565	3.5
486.16287	2.9
680.24023	3.6
691.23651	5.0
708.24109	34.5
709.24554	2.9
722.25665	8.2
727.29425	2.3
754.27759	12.6
755.29126	3.3
769.30725	7.7
813.29816	69.6
814.29822	10.5
845.32434	100.0
846.32770	19.9
877.35162	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	919.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87834	1.7
71.01251	100.0
72.99165	3.2
73.02818	3.9
80.96375	1.8
81.03339	1.6
83.01257	2.0
83.04911	1.9
85.02824	7.6
87.00746	4.9
89.02309	19.1
95.01267	1.8
96.95889	3.3
97.02828	5.7
98.61291	1.7
99.00762	3.0
101.02328	13.7
109.06454	5.5
113.02342	8.8
119.03384	5.3
125.02309	5.8
125.09577	3.3
127.11132	3.3
139.03922	1.7
143.03336	1.9
155.10612	2.4
161.04407	4.8
163.11159	6.6
171.10167	60.2
172.10477	2.3
179.05469	5.2
181.12207	4.1
199.09700	16.1
201.11252	25.4
207.10199	24.4
221.06660	4.4
225.11217	21.6
226.11581	2.0
230.66707	2.4
235.08170	6.7
243.12308	3.5
265.14661	2.4
277.21692	54.5
278.21936	4.0
287.07437	1.7
329.45514	1.6
379.12234	4.4
397.13437	32.9
398.13855	2.7
415.14587	9.2
459.01196	1.9
605.24103	2.3
623.25653	6.8
883.46802	9.1
884.47931	2.9
901.47382	3.6
919.49207	19.3
920.49792	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	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99665	1.3
69.03311	1.9
70.61672	0.8
71.01250	100.0
71.59367	1.0
71.59734	1.2
71.67459	0.8
72.01603	1.1
72.99181	2.1
73.02818	3.7
76.92449	0.9
77.42897	1.0
80.96399	1.3
81.03355	1.9
83.01241	2.0
83.04892	1.3
85.02831	6.7
87.00732	5.1
88.00717	1.0
89.02307	15.9
89.02820	1.2
97.02840	4.9
97.03374	0.9
97.06472	1.1
99.00771	3.3
101.02319	17.1
109.06475	5.5
113.02329	8.8
119.03387	5.6
120.96738	0.8
125.02330	6.9
125.09592	2.1
127.11185	1.9
131.03404	1.2
131.57339	0.8
136.77473	0.8
139.03831	1.1
143.03381	3.9
143.15401	0.9
161.04459	3.8
163.11176	3.9
171.10176	52.2
172.10597	1.1
179.05548	4.2
181.12239	2.0
193.18871	1.0
199.09683	8.7
199.13264	2.1
201.11238	13.3
207.10185	16.5
208.10402	1.1
215.12846	1.0
221.06631	1.3
225.11275	11.7
235.08220	5.5
243.12292	2.7
253.09349	1.1
277.21716	68.2
278.22076	2.9
287.07834	1.5
305.08810	1.1
322.02072	1.0
323.10086	1.1
375.90021	0.9
379.12393	4.5
397.13440	41.2
398.13693	1.7
415.14603	10.3
454.82397	1.0
605.24847	1.5
623.25317	2.2
834.89014	1.2
857.45667	1.4
873.00769	1.3
878.22565	1.1
883.47290	8.6
884.47418	2.6
901.47772	1.9
919.49066	15.6
920.48242	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	919.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19086	6.1
71.01258	12.4
73.52254	6.6
78.95811	6.0
80.96386	8.8
83.55196	5.7
88.98671	8.4
89.02339	11.6
96.95883	27.0
98.19779	21.3
99.00689	6.2
101.02319	12.6
125.09521	6.6
128.33015	6.2
136.06793	6.0
143.60738	5.4
181.12297	6.6
207.10185	29.0
225.11267	54.5
229.93867	7.8
243.12422	13.7
255.26524	8.1
277.21698	48.4
397.13583	16.4
578.60901	6.6
605.24548	17.9
623.25153	11.4
634.60144	8.4
883.46967	100.0
884.47705	18.9
919.44788	64.1
920.45367	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.8
70.50248	1.1
71.01249	100.0
71.55103	2.2
72.99192	1.5
73.02820	3.3
75.23508	1.2
78.95763	1.5
80.96352	1.2
83.01266	2.8
85.02839	5.4
87.00750	5.4
89.02322	17.0
95.01253	2.1
97.02828	4.5
99.00767	3.2
101.02328	15.3
109.06467	5.0
113.02303	7.9
119.03416	4.7
119.09348	1.1
125.02354	6.8
125.09582	3.2
127.11161	3.9
143.03391	3.5
148.72458	1.3
150.36975	1.2
152.11055	1.2
161.04431	3.6
163.11226	2.8
171.10172	59.7
179.05499	4.5
181.12285	2.0
199.09653	11.8
201.11240	19.2
207.10175	15.3
215.91800	1.3
221.06630	2.8
225.11292	13.3
235.08186	5.1
243.12346	2.7
253.09221	1.8
274.20261	1.2
277.08786	1.1
277.21713	47.9
278.22055	5.0
287.07486	2.1
305.08688	1.6
379.12366	5.0
397.13492	34.6
398.14038	1.7
415.14590	8.9
605.24731	2.2
612.47736	1.3
623.25568	3.4
883.46613	6.2
884.48242	2.2
901.48895	2.2
919.48822	11.1
920.49298	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	918.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30699	3.1
69.91161	17.6
71.01248	8.2
74.02341	34.5
76.21336	3.6
81.04455	4.4
85.02842	3.2
86.02368	9.5
87.05557	4.4
89.02274	3.3
96.40161	3.3
96.95890	10.4
97.03949	3.7
99.05520	27.5
101.02294	4.1
101.07044	4.3
109.03972	5.1
109.07634	3.8
111.05567	4.3
125.03437	7.6
128.03429	71.6
129.42195	3.1
135.05556	8.4
143.04515	67.9
145.06036	5.0
146.04488	8.9
153.06549	5.4
161.71394	3.3
167.08276	5.2
179.04527	22.8
181.06134	4.2
195.00018	3.5
210.08762	21.0
213.14932	6.2
247.13683	20.4
252.66240	3.8
254.07745	17.7
261.28162	3.4
272.08859	38.7
333.23569	3.3
738.09558	4.4
900.36560	12.3
911.62646	3.9
918.37512	100.0
919.38013	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	919.309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13097	0.4
95.01262	0.7
97.02853	0.3
123.04426	0.3
144.84039	0.2
149.05975	0.3
151.03909	2.0
153.05484	2.6
153.14427	0.2
166.56493	0.2
172.01843	0.2
181.04982	56.4
182.05296	2.1
196.07338	51.9
197.07648	1.9
211.09697	100.0
212.10030	3.2
254.91626	0.2
281.04410	0.2
309.56647	0.3
656.24445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01195	15.9
72.28860	14.5
88.98666	15.9
96.95912	35.3
113.00362	15.3
152.99338	14.1
155.19905	13.2
170.63849	13.8
174.09532	16.4
189.34216	13.7
203.34154	15.4
207.10103	19.8
225.11230	69.0
243.12361	18.8
266.06784	13.4
271.75961	13.2
277.09106	15.4
277.21634	57.7
397.13583	17.5
605.24457	20.0
623.25629	24.8
883.47131	100.0
919.44916	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94229	3.2
69.94643	7.0
71.01246	10.3
73.02792	2.4
78.95796	2.0
80.45481	1.9
80.96396	3.3
83.04896	4.0
83.73334	1.7
85.02835	2.9
87.00768	3.4
89.02325	11.6
91.30466	1.6
95.01245	2.5
96.95856	2.6
97.02840	2.0
101.02308	6.5
108.16807	1.6
108.49377	1.7
109.11401	1.7
112.12706	1.9
113.02345	3.4
119.03415	3.2
122.91907	2.1
125.02305	5.6
152.99373	2.4
163.11180	5.5
165.12805	2.2
179.05513	3.3
192.84425	1.7
209.11758	100.0
210.12105	5.7
227.12862	10.9
235.08200	4.3
245.04408	2.8
252.12988	1.8
255.23235	4.3
264.60571	1.7
277.21704	40.1
278.22015	2.2
287.07800	2.3
379.12430	9.0
397.13464	32.0
398.13651	2.2
415.14594	8.3
481.25653	2.8
482.26059	3.7
483.27063	5.5
607.25665	2.8
917.47278	3.7
939.49860	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	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	3.3
71.01253	84.8
71.58471	0.9
72.01579	0.6
72.99184	3.5
73.02817	100.0
74.03164	1.0
75.00753	1.4
80.01253	0.7
81.03315	1.1
83.01255	37.8
85.02820	7.2
87.00742	3.5
89.02314	15.8
95.01277	3.1
96.95886	26.5
96.96500	1.6
97.02818	2.6
98.95467	2.4
99.00763	1.1
101.02320	90.4
104.92375	0.8
109.80211	0.8
112.39825	0.8
113.02328	32.5
113.90270	0.8
119.03383	10.0
125.02332	4.1
131.03400	9.3
143.03387	10.9
149.04456	19.2
155.03415	2.8
161.04463	30.2
203.05592	4.6
221.06644	11.0
224.74965	0.7
301.30292	0.7
328.18893	0.8
339.05423	0.9
648.45807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68366	0.2
71.58461	0.5
71.58844	0.3
78.95778	6.3
110.98426	5.4
127.99732	0.3
150.70966	0.3
152.99493	0.5
167.01071	2.8
185.02115	3.2
199.13351	0.9
201.11296	0.3
204.42108	0.3
255.23289	0.4
277.21643	0.8
279.23282	100.0
280.23611	7.7
397.13348	0.8
447.25159	38.1
448.25616	3.8
747.49146	0.3
917.49390	4.9
918.49963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66258	8.8
71.01249	15.0
73.02811	3.8
73.63766	1.5
78.95776	3.2
80.96392	3.9
81.03304	2.0
83.01241	2.6
83.04899	3.8
85.02839	3.8
87.00761	3.5
89.02310	11.8
91.04636	1.3
95.75331	1.3
97.02831	3.5
101.02334	12.3
110.33672	1.3
113.02325	6.3
119.03407	2.3
122.78155	1.5
125.02334	3.9
143.03406	1.7
152.99496	3.8
161.04466	3.1
163.11185	4.0
165.12680	3.4
172.62930	1.4
179.05504	3.6
209.11765	100.0
210.12125	4.8
227.12820	12.4
235.08191	6.5
236.06187	1.4
245.04308	3.1
255.23216	7.0
277.21719	56.2
278.22058	2.8
305.08917	2.3
370.05310	1.7
379.12445	6.1
397.13434	38.6
398.13696	1.9
415.14697	8.0
462.86447	1.6
481.25479	2.0
482.26025	2.0
483.26944	5.5
554.70630	1.7
917.48511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99660	1.5
69.03304	1.4
70.79065	1.2
70.79391	2.1
71.01255	35.8
72.01576	1.3
72.99175	4.3
73.02815	7.8
75.00748	16.1
83.01262	3.7
85.02827	24.4
85.99966	2.6
87.00753	14.8
87.04379	3.5
89.02312	7.7
89.92439	2.3
90.93236	4.8
95.01266	4.3
96.95906	1.5
99.00761	15.9
99.04425	1.2
101.01759	0.9
101.02312	5.4
103.03889	2.2
103.91940	1.4
106.92735	2.4
111.00723	1.4
113.02332	18.6
114.93278	5.1
115.00240	0.9
115.03870	2.8
131.03391	11.7
139.00275	1.4
143.03407	8.7
145.04912	1.1
157.01262	1.8
163.06032	2.3
179.30016	1.1
205.07097	3.8
455.36603	1.0
498.66882	1.1
668.76776	1.2
826.69055	1.0
851.37592	11.0
911.50128	100.0
912.50507	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	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	3.3
71.01253	84.8
71.58471	0.9
72.01579	0.6
72.99184	3.5
73.02817	100.0
74.03164	1.0
75.00753	1.4
80.01253	0.7
81.03315	1.1
83.01255	37.8
85.02820	7.2
87.00742	3.5
89.02314	15.8
95.01277	3.1
96.95886	26.5
96.96500	1.6
97.02818	2.6
98.95467	2.4
99.00763	1.1
101.02320	90.4
104.92375	0.8
109.80211	0.8
112.39825	0.8
113.02328	32.5
113.90270	0.8
119.03383	10.0
125.02332	4.1
131.03400	9.3
143.03387	10.9
149.04456	19.2
155.03415	2.8
161.04463	30.2
203.05592	4.6
221.06644	11.0
224.74965	0.7
301.30292	0.7
328.18893	0.8
339.05423	0.9
648.45807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	0.6
71.01251	23.2
71.58512	0.8
72.99169	1.5
73.02821	9.2
75.00751	1.1
79.54308	0.5
79.95624	0.5
80.38575	0.5
82.23560	0.5
83.01241	4.1
83.04899	1.8
85.02826	12.0
87.00741	1.7
89.02321	3.0
95.01259	2.6
96.95885	15.4
97.02834	2.2
98.95464	1.0
99.00755	2.8
100.59540	0.5
101.02320	20.0
111.04391	12.0
113.01519	0.7
113.02327	12.1
119.03381	2.0
129.01831	0.8
135.08061	0.9
137.09645	0.6
142.23148	0.5
143.03375	1.4
149.04486	1.4
151.07498	0.8
159.02922	1.5
161.04453	8.3
163.07561	2.8
165.09048	1.0
173.09648	0.6
173.13274	6.7
175.07579	3.2
189.09154	0.9
199.11194	2.0
202.09843	0.7
215.10785	0.8
217.12282	38.9
218.12663	1.4
261.11295	100.0
262.11630	5.5
274.65771	0.5
275.13031	1.0
297.98837	0.6
303.12378	2.5
337.03775	1.3
383.16977	2.1
383.21143	0.8
401.18109	22.0
401.23184	1.2
402.18335	1.6
423.16220	0.8
429.08505	1.3
429.58603	1.7
430.08301	1.0
443.19095	44.5
444.19510	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	911.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	3.3
71.01247	81.5
71.07738	1.9
72.01564	1.0
72.99191	4.0
73.02812	100.0
74.03171	1.0
75.00737	2.0
81.03313	0.8
83.01251	33.5
85.02823	10.3
87.00738	2.9
89.02306	14.6
89.02824	1.2
95.01248	3.2
96.95869	2.6
97.02827	2.6
99.00745	1.0
99.04366	0.8
101.02314	89.3
102.02619	1.1
113.02320	33.9
116.19508	0.7
119.03375	8.8
125.02321	3.7
127.03912	0.8
131.03371	9.6
133.77501	0.7
143.02304	1.2
143.03377	10.5
147.02962	1.0
149.04460	15.4
155.03387	3.1
161.04448	27.2
189.12692	1.1
193.12292	0.8
203.05536	4.0
221.06599	7.8
307.80698	0.7
315.89240	0.7
373.18558	6.6
451.90106	0.8
556.35461	0.7
589.96423	0.8
650.49084	0.8
800.45978	0.9
935.75000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02846	2.1
78.95771	62.0
79.08680	0.4
79.40092	0.4
83.25793	0.4
87.02198	0.5
93.50748	0.4
93.97496	0.4
96.95906	0.5
96.96825	6.5
105.73317	0.4
108.72153	0.4
124.75461	0.5
140.01114	0.6
150.97934	2.5
152.99481	100.0
153.99831	1.5
171.00554	5.9
214.04788	0.9
239.41389	0.5
277.21729	0.6
279.23273	38.7
280.23615	2.5
391.13058	0.5
402.24115	0.5
431.21973	32.5
432.22534	2.2
476.27814	32.2
477.28165	2.3
494.42441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.9
71.01248	36.0
71.07890	2.6
72.99176	1.4
73.02819	14.8
75.00713	1.5
79.72141	1.0
83.01250	6.3
83.23421	1.1
85.02815	16.4
87.00717	1.8
89.02298	2.7
93.03337	3.7
95.01272	3.1
95.51859	1.1
96.95887	8.4
97.02819	3.7
99.00768	5.1
101.02322	30.0
106.04115	22.3
107.04902	64.5
108.02055	10.5
109.02869	1.6
113.02323	18.4
119.04913	4.4
121.02820	5.7
123.04390	7.0
125.02326	12.8
131.04938	5.5
133.02838	37.7
135.04343	1.7
138.03110	3.7
143.03366	3.3
143.04955	1.7
147.04419	4.9
149.04507	1.2
149.05956	2.2
151.03903	100.0
152.04205	2.4
159.02898	4.3
161.04471	36.0
161.05960	4.3
163.03886	2.1
165.05467	34.8
174.03117	2.2
175.03915	54.3
187.03973	2.5
190.09398	1.1
193.04973	86.5
194.05394	2.7
197.62010	1.4
205.03334	2.1
205.04985	13.8
205.12268	3.1
217.05003	1.2
223.06059	13.9
233.08133	1.7
235.05991	3.6
247.09624	1.6
253.07117	22.6
254.07420	1.5
271.02585	1.4
277.07162	3.7
282.65540	1.1
295.08136	2.9
300.02853	1.4
301.03464	2.6
313.09271	77.1
314.09616	5.3
329.51743	1.1
337.09277	2.2
355.10318	41.2
355.14758	2.3
356.10706	2.9
360.90240	1.2
385.11359	4.5
389.18152	1.4
415.12384	41.4
416.12674	2.7
433.07629	2.6
439.12357	1.7
457.13541	1.4
475.14233	2.9
552.89050	1.2
617.01770	1.1
763.35651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67340	0.5
65.99712	0.5
67.01773	0.6
71.01244	3.6
71.57357	0.6
73.02812	1.5
79.73440	0.5
83.01231	0.6
85.02800	0.7
89.02299	0.7
93.03333	0.6
95.04910	0.8
96.95886	2.3
97.02849	0.5
101.02319	2.6
107.03765	0.5
108.04454	0.6
109.06467	0.6
116.61472	0.5
119.03416	0.6
120.04428	2.0
121.05195	2.5
121.06477	0.5
122.05993	6.7
125.02241	0.6
128.72531	0.5
134.06020	3.9
136.07578	11.7
137.09644	1.4
158.02315	0.8
161.04410	0.8
161.07077	0.9
171.11702	3.1
186.09102	0.8
189.10265	0.7
190.05025	4.2
192.11494	3.3
195.13864	0.6
198.09166	1.5
199.09953	2.3
203.05595	1.6
207.13837	29.4
208.14175	0.6
212.10760	0.6
213.14867	2.3
214.12291	11.4
226.07446	1.1
227.08179	1.7
228.09052	0.9
229.09811	4.2
230.11861	4.2
241.09775	9.0
242.10576	15.2
243.10890	0.8
253.09352	1.0
256.12003	0.6
257.12921	85.1
258.13278	4.3
282.76767	0.5
301.11914	100.0
302.12344	5.4
337.11942	1.7
356.13382	0.6
449.14493	1.0
559.19360	19.7
560.19812	1.5
713.33704	0.5
722.36981	0.5
762.18347	0.7
785.29681	0.8
829.28674	0.8
861.31970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24608	6.1
71.01247	29.5
73.02813	5.7
79.95587	1.7
80.96398	3.4
81.03342	1.2
83.01257	3.3
84.71723	1.5
85.02812	7.2
87.00737	7.2
89.02324	20.7
94.04981	1.2
95.01286	2.2
95.04859	1.7
97.02828	5.4
99.00763	2.1
101.02321	16.1
109.06461	3.4
110.03656	1.3
113.02325	9.9
119.03376	7.0
125.02332	10.2
125.09613	1.5
127.11179	2.5
128.64925	1.3
131.06964	1.4
138.71080	1.4
143.03398	2.6
161.04451	5.6
163.11189	4.9
171.10167	100.0
172.10448	4.0
179.05502	6.3
181.12268	2.6
185.11726	1.8
189.09132	1.4
201.11261	11.7
207.10219	14.9
217.06953	2.3
221.06644	3.2
225.11266	45.7
226.11551	3.2
235.08205	7.5
243.12361	8.6
253.09322	1.6
277.21686	75.2
278.22046	4.9
305.08850	3.3
379.12515	16.1
397.13489	54.1
398.13788	2.3
415.14600	11.2
439.14172	2.0
463.67581	1.4
496.22012	1.3
551.23352	3.9
569.24438	4.5
605.24469	4.5
622.99255	1.3
623.25146	9.7
657.35388	1.9
675.35913	2.4
831.70068	1.6
883.46686	9.1
884.47845	1.5
901.46460	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29782	1.7
71.01250	28.1
71.01610	2.6
72.99192	2.3
73.02825	5.3
80.13411	1.5
80.96372	3.9
83.01257	3.7
83.24187	1.6
85.02821	7.2
87.00730	9.0
89.02317	20.8
95.01249	2.1
95.04872	3.1
97.02827	6.0
98.34605	1.5
101.02324	21.6
113.02333	10.4
119.03378	5.0
125.02290	9.1
125.14021	2.0
143.03435	2.8
161.04448	4.3
163.11200	3.5
171.10176	100.0
172.10555	2.6
179.05496	4.8
189.09122	3.0
201.11072	2.4
207.10167	7.0
224.82085	1.9
225.11275	33.3
226.11563	2.4
229.26836	1.9
235.08134	9.6
243.12355	9.7
277.21710	96.5
278.22006	5.9
287.07727	2.7
305.08667	3.5
308.77451	1.6
323.09775	3.6
379.12421	22.4
397.08325	3.8
397.13470	67.0
398.13843	4.3
415.14505	13.1
551.23627	5.0
569.24268	3.5
605.24121	2.3
623.25256	3.9
657.34753	3.1
675.35962	5.0
883.46570	5.9
901.46619	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	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99679	0.6
69.03321	2.4
71.01252	32.8
71.04897	3.0
72.99177	1.7
73.02821	3.5
73.52444	0.5
75.00735	1.3
78.95766	0.7
79.95601	1.0
80.96389	1.6
81.03318	1.0
83.01249	1.4
83.04903	1.5
85.02825	4.7
85.81922	0.5
87.00751	4.9
89.02316	12.7
95.01248	2.0
95.04892	2.3
97.02829	6.3
97.06467	3.6
98.19849	1.7
99.00754	19.1
99.04388	0.8
101.02320	10.5
109.06505	3.0
110.03589	0.8
111.04373	0.9
113.02303	5.5
119.03401	3.4
121.06387	0.6
123.08042	1.9
125.02319	3.9
125.09626	8.4
127.11154	0.9
136.05147	0.9
142.02556	0.9
143.03357	2.1
149.04408	0.6
151.11243	0.6
153.12746	0.8
161.04460	2.8
161.09660	0.8
163.11201	12.1
164.11414	0.7
171.10175	23.1
172.10623	0.8
179.05499	2.7
179.10666	1.2
181.10774	1.0
181.12268	12.1
182.12590	0.6
185.11827	0.8
191.46521	0.6
197.11748	2.3
199.13322	7.2
201.11232	3.8
205.73837	0.5
207.10199	28.8
207.38559	0.6
208.10474	1.3
209.11765	0.6
215.12816	1.2
217.07033	1.2
221.06609	1.6
225.11270	40.0
226.11617	2.5
229.27025	0.8
235.08072	3.3
243.09814	0.8
243.12358	14.5
253.09230	0.8
277.21710	45.5
278.22104	4.1
287.07611	0.9
305.08936	1.4
332.33813	0.6
358.66034	0.6
379.12311	3.9
397.13480	20.8
398.13712	0.8
415.14569	5.0
439.13998	0.7
551.23181	0.7
552.34271	0.7
605.24756	1.1
623.25098	3.6
641.26648	2.5
675.35883	1.7
883.47510	3.7
901.47925	100.0
902.48407	19.7
902.66083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.4
69.56432	0.9
71.01252	25.9
71.04884	3.7
72.64928	0.9
72.99156	3.2
73.02819	4.6
79.95616	2.0
80.96398	4.8
81.03324	1.3
83.01246	3.0
83.04917	1.2
85.02814	6.7
87.00749	5.6
89.02319	14.3
95.01261	2.9
95.04887	1.8
97.02824	8.2
97.06459	3.3
98.19735	2.7
99.00761	16.3
101.02320	17.0
109.06486	1.8
110.03622	1.8
113.02335	6.4
119.03386	4.0
123.08039	1.0
125.02361	6.4
125.03119	1.0
125.09610	7.3
141.76306	0.9
142.02682	1.7
143.03381	1.3
156.59012	1.1
161.04439	3.2
163.11191	8.5
164.11772	1.0
168.34686	0.9
171.10179	20.8
179.05478	2.7
179.10602	1.7
181.12267	15.5
185.11679	1.3
190.88083	1.0
197.11784	2.6
199.13359	10.4
201.09593	1.3
201.11205	6.5
207.08328	1.9
207.10197	32.7
208.10588	1.6
215.12857	1.0
221.06607	2.2
225.11266	52.0
226.11594	2.3
230.54149	1.3
235.08185	2.4
243.12337	11.4
253.09262	1.1
277.21704	58.0
278.22067	3.8
305.08658	1.5
379.12323	5.0
397.13483	24.2
415.14651	5.8
439.14694	1.4
605.24622	4.4
623.25677	4.4
675.35736	1.1
735.78503	1.1
883.47168	15.3
884.47528	3.0
901.47949	100.0
902.48145	21.5
932.93628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35753	0.6
69.03325	6.4
71.01253	15.1
71.04867	1.1
72.99182	1.9
73.02814	2.0
79.95609	0.7
80.96397	1.9
83.01245	2.0
85.02827	4.0
87.00758	2.3
89.02318	11.7
89.62075	0.7
95.01299	1.5
95.04906	0.6
97.02824	1.9
97.06455	1.0
98.19711	1.1
99.00761	1.7
101.02323	9.4
111.00826	0.6
111.04356	0.7
113.02339	3.9
114.01762	0.7
119.03382	2.5
123.08038	1.4
125.02336	2.3
125.09612	2.9
127.03844	0.6
143.03358	1.2
151.11148	2.5
153.12767	1.3
161.04471	1.7
161.09639	2.8
171.10162	0.7
175.45773	0.7
179.05312	0.6
179.10684	6.6
197.11758	40.9
198.12094	1.3
205.08548	0.7
213.14941	0.9
221.06610	1.8
221.43718	0.6
223.09648	2.3
230.13969	1.6
230.84630	0.9
235.08151	1.4
241.10687	1.6
262.00943	0.6
277.21710	35.7
278.22137	3.0
293.99506	0.8
397.13602	3.9
621.24146	1.0
899.46442	100.0
900.46649	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	899.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02856	4.6
71.01230	0.4
72.00784	1.4
72.04409	1.0
74.02343	32.1
74.43207	0.2
81.82956	0.2
89.02325	0.5
98.02354	6.3
106.04121	0.3
107.04885	0.3
113.02316	0.4
116.03429	8.3
116.04938	11.7
130.06516	1.1
133.02821	0.7
142.06528	2.7
151.03938	1.1
159.09196	2.7
161.06027	0.3
165.05467	0.7
169.72733	0.3
175.03903	3.3
179.05542	0.7
183.09216	0.7
186.05515	0.7
193.05052	1.2
201.10278	2.9
203.08192	35.0
204.08421	1.4
205.05060	0.4
223.06029	1.4
226.62132	0.2
245.09273	100.0
246.09621	4.6
253.07129	2.5
289.08194	0.4
295.08221	0.3
306.08026	0.2
313.09222	1.6
494.73114	0.3
838.28125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	4.3
69.27101	4.5
71.01250	17.7
71.04891	1.1
72.99159	2.1
73.02815	2.2
79.95589	0.9
80.96384	1.8
81.03322	0.5
83.01265	2.1
83.04903	0.7
85.02841	4.1
87.00758	2.4
89.02311	10.3
90.87267	0.4
94.97926	0.5
95.01262	1.3
95.04932	0.5
96.56908	0.4
97.02856	2.3
99.00763	1.6
101.02316	9.3
113.02316	4.9
119.03398	2.4
123.08064	1.1
125.02354	2.5
125.09619	2.3
131.03403	0.7
136.37065	0.5
139.03877	0.4
141.01762	0.5
143.03372	0.9
149.40076	0.4
151.11191	1.5
153.12726	1.5
161.04442	1.7
161.09615	3.2
169.12234	0.7
171.10141	0.7
179.05492	1.0
179.10692	5.8
197.11754	68.6
198.12120	2.3
205.08633	1.2
215.12831	0.5
221.06607	2.6
223.09706	2.4
225.00937	0.5
235.08195	1.6
241.10796	4.7
253.09399	0.6
263.92432	0.4
277.21710	23.6
278.22128	1.4
298.89194	0.5
397.13577	4.2
415.14417	1.2
470.96042	0.5
472.25153	0.5
500.97385	0.6
516.98883	0.6
621.23730	0.7
639.24756	1.0
855.38501	0.6
881.46252	0.8
899.46393	100.0
900.46765	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	895.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89751	0.6
78.95776	5.0
81.74187	0.2
104.97301	0.2
110.98421	3.6
152.99496	0.4
167.01042	2.0
185.02106	2.9
261.22311	0.4
279.23267	100.0
280.23608	5.5
322.64853	0.2
447.25131	40.9
448.25504	2.8
472.57254	0.2
552.49316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81055	0.7
71.58212	1.6
78.95771	24.2
78.96209	1.5
97.73323	0.8
110.98423	3.7
131.86369	1.0
140.01083	5.0
152.99432	1.9
163.02771	0.9
167.01054	5.3
185.02071	1.4
190.12372	0.8
196.03677	7.2
214.04861	1.6
250.89552	1.0
255.23256	100.0
256.23590	5.2
277.21689	38.2
278.22095	3.1
424.47644	0.9
445.23584	33.0
446.23965	3.3
452.27786	77.1
453.28305	5.8
619.11639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.27
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	0.1
71.58347	0.1
76.59984	0.1
79.95612	1.7
96.95889	100.0
97.95823	0.3
179.33588	0.1
181.78825	0.1
259.71100	0.1
339.05399	3.5
340.05792	0.2
395.26715	0.1
720.03748	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45728	2.9
69.03335	5.8
71.01253	81.4
72.99175	2.9
73.02815	96.7
77.46076	3.2
81.03328	6.7
83.01256	35.5
85.02829	13.5
85.13789	2.7
87.00770	8.4
89.02330	5.0
90.39747	3.1
95.01273	7.8
95.04924	8.7
96.95889	22.5
97.02838	10.0
99.04440	3.0
101.02319	71.3
101.45438	2.9
107.04893	5.4
109.02837	44.4
109.06485	9.6
111.04401	23.3
111.08040	2.9
113.02315	32.8
119.03384	5.2
122.03645	4.5
123.04422	9.0
123.08022	6.9
125.02328	14.5
131.03426	6.5
137.05991	7.1
137.09636	16.1
141.09084	9.6
143.03433	10.5
147.08136	7.7
149.04498	7.4
149.05959	7.1
149.09631	6.1
151.11159	9.6
155.03371	6.5
161.04396	18.2
161.09618	5.5
163.07558	3.5
163.11162	7.4
165.09120	94.8
166.09355	3.4
167.10625	3.6
173.05943	4.5
173.13298	5.6
175.07552	4.6
175.11209	18.8
176.04662	5.2
179.10687	3.9
187.11195	35.3
189.09068	5.7
189.12756	4.5
193.12253	21.0
203.05518	12.3
203.10611	5.6
205.12268	80.3
206.12486	3.3
207.10167	11.9
217.12289	52.5
219.13989	6.1
221.06671	3.3
221.11804	8.2
223.13316	31.6
229.12291	11.1
233.11884	5.6
235.13338	8.8
247.13353	77.9
259.13318	12.1
261.11285	100.0
265.14429	74.6
277.11237	4.5
277.14465	15.2
295.15512	5.4
427.14670	3.4
427.19794	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33784	0.0
71.01244	0.3
75.00735	0.1
77.77520	0.1
79.95609	2.8
83.09243	0.1
83.84766	0.1
85.02818	0.2
89.02316	0.2
93.50494	0.1
95.01264	0.1
96.95890	100.0
97.95821	0.3
97.96353	0.1
98.19812	0.1
99.00774	0.2
101.02348	0.1
113.02296	0.2
114.93246	0.1
117.15036	0.1
124.09929	0.1
278.79303	0.1
358.51160	0.1
484.35214	0.1
795.45349	1.4
796.45636	0.4
833.39948	0.4
893.44849	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96087	0.5
71.01250	4.5
71.57724	0.6
73.02821	1.0
78.98470	3.5
79.95608	5.4
80.96390	40.3
81.03297	0.7
85.02805	1.6
87.00741	2.1
94.97370	0.7
94.97957	9.8
96.95879	1.0
97.02821	1.1
101.02312	1.5
106.97943	1.5
112.98650	1.3
113.02303	0.5
122.97499	2.6
125.02343	2.2
127.03897	0.5
133.02835	0.6
134.97508	2.4
134.98390	0.6
136.32410	0.4
136.99014	1.2
148.99036	4.0
152.98547	3.6
164.98535	8.0
177.01811	0.6
206.99504	2.0
211.13371	0.4
225.00684	11.6
277.21640	1.3
299.04401	10.0
300.04803	0.5
388.43930	0.4
527.51044	0.5
577.26843	100.0
578.18597	0.8
578.27246	11.1
584.78888	0.4
599.24774	1.1
615.23248	0.8
625.83051	0.4
893.45557	1.1
895.39514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.6
69.03326	1.0
70.68919	0.8
70.69269	1.0
71.01253	16.9
72.99181	1.4
73.02834	3.0
80.96386	1.7
81.03330	0.8
83.01269	2.4
85.02825	5.0
87.00742	4.9
89.02317	13.9
94.97959	0.6
95.01263	1.5
97.02828	2.7
99.00758	1.0
101.02323	12.7
109.02761	0.6
111.04421	0.5
113.02332	7.7
119.03397	3.7
121.02834	0.7
125.02328	6.2
125.09630	1.0
127.11185	2.0
131.03430	0.6
133.04956	0.6
139.03897	0.9
141.01820	0.6
143.03419	2.2
149.04500	0.5
161.04491	3.8
167.03394	0.7
169.30174	0.4
171.10176	100.0
172.10501	3.1
179.05511	3.3
185.47385	0.5
185.49036	0.5
199.05952	0.5
209.17279	0.4
217.07114	1.3
221.06607	1.4
235.08170	5.9
245.06392	0.6
246.67204	0.4
253.09222	0.9
259.08203	0.9
259.20776	0.5
277.21710	66.9
278.22058	3.9
281.16870	0.5
287.07733	2.0
291.23285	0.7
302.29984	0.5
305.08841	1.5
323.09903	1.2
361.11343	0.5
379.12442	13.1
387.11267	0.5
397.13504	45.2
398.13821	2.3
415.14441	7.9
416.14877	0.5
498.83939	0.5
519.56104	0.5
551.23340	3.0
565.30463	0.6
569.24457	2.2
657.34747	1.2
675.35980	2.3
706.35834	0.5
889.48016	1.9
890.46643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	0.4
75.00732	0.3
78.95778	0.2
79.95603	2.8
85.52334	0.1
89.02327	0.2
96.95884	100.0
97.95835	0.2
99.00747	0.2
101.02334	0.1
103.10824	0.1
110.35632	0.1
126.54474	0.1
172.37996	0.1
229.43481	0.2
239.38506	0.1
375.85382	0.1
613.37610	0.2
793.43549	1.9
794.44684	0.3
831.39545	0.3
891.41718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24792	0.6
69.03292	0.9
70.60851	1.5
70.61208	0.6
71.01251	15.6
72.99162	1.1
73.02815	2.7
78.95763	0.9
80.96363	1.0
81.03324	1.4
83.01251	1.4
85.02827	4.3
87.00739	4.0
89.02313	13.4
95.01281	1.4
97.02837	2.5
99.00754	0.9
101.02322	13.5
106.80390	0.5
111.00787	0.7
113.02329	8.4
116.92725	2.3
118.13856	0.6
119.03349	3.7
125.02317	7.2
125.09566	0.8
127.11172	2.0
131.03380	0.6
143.03401	2.3
152.99464	1.1
153.09140	0.6
160.28976	0.6
161.04477	4.0
167.03329	0.8
171.00514	0.7
171.10179	100.0
172.10536	3.1
179.05545	2.7
180.80908	0.7
182.11317	0.6
199.06044	0.6
201.41183	0.5
217.07095	1.6
221.06601	1.5
222.58601	0.5
235.08138	5.5
245.04460	1.2
253.09296	0.9
259.08182	0.7
274.11121	0.6
277.21710	55.6
278.22000	4.3
287.07669	1.7
305.08823	1.8
323.09860	1.5
375.03128	0.6
379.12454	13.9
397.13486	39.6
398.13968	1.9
415.14572	7.4
452.67715	0.8
481.25720	3.3
551.23450	4.4
569.24359	3.9
575.29742	0.7
657.35663	0.8
675.36047	1.4
888.49280	0.9
889.48291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4637
Annotation	Nostophycin
Peak:m/z	Relative Intensity
66.20932	1.4
69.03311	1.7
69.07066	1.2
71.01249	16.0
71.58695	1.3
71.59043	2.0
72.99168	2.4
73.02805	2.1
75.00732	4.4
80.96349	2.0
81.03307	1.6
83.01245	2.2
85.02821	5.1
87.00732	2.7
89.02306	10.9
95.01225	1.4
97.02845	2.4
99.00749	3.2
101.02338	11.4
113.02312	5.4
116.92713	1.4
119.03296	1.2
125.02304	3.2
125.09589	3.3
139.11206	1.4
141.12769	2.1
142.06961	1.2
143.03407	2.3
167.10719	3.3
171.10150	3.7
185.11751	69.2
186.12044	3.2
198.70222	1.4
201.11110	1.3
209.11674	4.1
221.06578	2.6
229.10756	3.1
235.08136	2.7
277.21750	26.6
278.21957	2.8
335.60095	1.4
379.12109	1.7
391.60031	1.5
397.13385	7.9
415.14438	2.8
510.61411	1.4
887.46429	100.0
888.47107	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	889.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74968	0.6
70.54786	0.7
71.01250	13.7
72.99165	1.3
73.02816	9.8
73.03202	1.3
78.00407	0.6
80.04911	2.1
81.17562	0.6
83.01243	2.5
85.02801	3.0
87.00764	1.3
89.02312	3.1
89.88036	0.6
95.01269	1.0
96.95864	2.7
97.02786	0.7
99.00788	0.8
101.01704	0.7
101.02327	9.2
106.06480	2.9
113.02322	4.6
119.03358	1.5
120.08054	0.9
121.05221	1.3
122.06012	7.9
132.04431	2.2
134.04996	1.1
134.06013	21.1
143.03416	0.9
148.03995	0.9
152.07042	2.5
160.03917	1.2
160.06308	2.9
161.04428	1.1
174.05511	1.6
176.06987	0.7
184.18295	0.6
188.76088	0.9
190.04965	2.8
213.10275	16.5
214.10413	0.7
223.08658	0.8
225.10237	2.4
226.10971	1.5
227.11604	1.0
237.10039	0.8
239.11873	7.6
241.13457	6.2
242.13896	0.9
249.06584	0.8
251.11861	2.6
263.08246	1.5
265.09796	1.5
267.11356	1.6
275.11682	0.7
277.09760	2.1
278.10712	1.0
279.11417	1.0
283.11041	0.8
285.12439	19.2
286.12820	1.4
291.10818	0.9
293.12915	1.6
295.10825	1.0
296.11395	1.5
305.09354	1.2
309.08850	1.0
314.12589	1.2
316.14493	0.9
321.12714	0.7
328.10800	2.1
328.14386	0.9
337.12006	2.3
340.14590	1.8
342.12402	1.4
343.13074	1.9
344.13870	0.9
355.13403	1.4
356.13922	3.1
356.17871	1.1
357.15033	0.9
358.15491	6.3
359.16040	1.4
368.10291	1.1
369.14697	1.5
371.16348	0.7
372.17249	1.0
382.11517	1.1
382.15787	1.2
384.13239	6.1
384.17569	0.9
385.13812	1.2
390.52451	0.7
396.13486	1.8
397.14203	2.5
398.14850	3.7
400.16641	7.8
401.16690	0.8
410.15277	1.0
412.16559	5.4
426.13947	1.6
444.15414	2.0
475.17444	0.8
517.18005	1.0
559.19336	2.1
727.29565	1.9
753.28174	1.1
769.30731	5.6
770.32086	1.2
772.30585	1.1
778.35425	1.6
785.30621	2.6
795.29260	1.6
803.30890	1.0
813.29852	100.0
814.30109	19.7
845.32349	14.9
846.33325	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	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32407	0.3
68.99695	0.4
69.03312	1.1
71.01251	17.2
71.04887	0.3
71.08839	0.6
72.01575	0.3
72.99180	1.4
73.02484	0.3
73.02820	2.7
75.00758	0.4
79.95630	0.3
80.02534	0.6
80.96375	1.4
81.03319	2.0
83.01247	2.2
83.04894	4.8
84.02047	0.9
85.02809	4.3
87.00755	3.7
89.02309	12.9
93.03337	0.4
95.01241	1.0
95.04893	0.9
97.02829	2.7
99.00735	0.7
101.02316	12.1
102.02638	0.4
102.65013	0.3
106.69682	0.2
109.02852	0.5
109.06487	0.3
111.00752	0.3
111.04416	0.3
113.02325	7.0
117.16325	0.2
119.03393	4.0
121.02864	0.3
123.04404	0.3
125.02325	5.9
125.06000	0.4
127.03896	0.4
131.03366	0.5
133.02856	0.4
135.08051	0.3
137.02393	0.3
139.03914	0.6
141.01804	0.7
143.03426	2.4
149.04469	0.5
151.03860	0.4
161.04465	2.7
163.11192	3.9
165.12793	2.3
167.03387	0.4
177.01830	0.3
179.05519	3.5
181.12299	0.5
185.04485	0.3
191.10712	1.2
199.06027	0.4
209.11758	100.0
210.12094	4.4
217.07109	0.8
217.83781	0.3
221.06659	1.3
225.00635	0.5
227.12831	11.8
228.13220	0.9
233.22762	0.3
235.08180	5.6
236.08360	0.3
244.15506	0.3
245.06688	0.3
251.12946	0.6
253.09280	0.6
259.08295	0.5
263.07568	0.4
277.21701	51.1
278.22058	4.8
287.07623	2.0
305.08884	1.7
323.09750	1.0
379.12436	5.7
380.13028	0.3
397.13461	37.6
398.13821	2.7
415.14557	9.3
416.14795	0.4
589.24628	0.3
607.26099	0.5
675.36176	0.4
885.46637	1.6
886.47388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.1
70.09711	1.0
70.10118	0.4
71.01254	13.1
72.88972	0.3
72.99185	1.0
73.02817	2.1
75.00766	0.3
78.33259	0.2
79.95605	0.3
80.02544	0.8
80.96389	0.8
81.03323	1.8
83.01245	1.4
83.04895	5.1
84.02045	0.7
85.02820	3.1
85.99992	0.3
87.00760	3.8
89.02318	12.0
95.01255	1.1
95.04921	0.6
97.02851	2.2
99.00754	0.9
99.04400	0.3
101.02322	9.9
109.06482	0.3
111.00784	0.4
111.04416	0.4
113.02325	7.2
119.03396	2.9
121.02869	0.3
124.01547	0.3
125.02326	5.4
125.05976	0.6
127.84601	0.3
131.03442	0.3
133.04959	0.4
135.08080	0.7
139.03903	0.4
141.01799	0.8
143.03401	2.3
149.04517	0.3
156.13895	0.3
161.04485	3.0
163.11189	4.5
165.12721	2.0
167.03468	0.3
177.01839	0.3
179.05544	4.0
181.12302	0.6
191.10719	0.8
199.06252	0.2
209.11768	100.0
210.12099	4.9
217.07159	0.8
221.06573	1.2
225.00793	0.3
227.12846	10.7
228.13058	0.5
235.08185	5.0
251.12817	0.6
253.09241	0.3
259.08301	0.6
277.21710	43.5
278.22110	2.9
287.07764	1.4
305.08774	2.1
323.09805	1.1
379.12439	5.4
380.12558	0.5
397.13495	31.8
398.13977	1.7
415.14575	7.8
416.14847	0.6
547.23138	0.3
589.25189	0.4
607.26324	0.9
675.36298	0.4
885.46759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06898	0.5
71.01253	4.0
71.57197	1.0
72.99175	0.5
75.00745	1.9
85.02824	2.0
85.80988	0.5
88.98673	100.0
89.02322	1.2
89.98994	0.8
95.01257	0.8
96.95879	1.0
99.00765	2.2
101.02323	2.7
103.91889	2.0
104.92680	1.0
113.02324	1.7
119.03391	0.8
122.89269	1.4
130.94237	0.6
148.90858	2.2
166.81439	0.6
176.90466	0.7
184.95419	0.7
186.73888	0.6
189.51089	0.5
257.95407	0.6
588.73102	0.7
756.68158	0.7
795.45209	26.5
796.45465	3.4
885.35126	7.3
886.35632	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51651	0.1
61.92392	0.2
69.03316	0.8
71.01251	14.6
71.04882	0.2
72.99171	1.2
73.02813	2.3
75.00737	0.4
79.95594	0.2
80.02551	1.1
80.96388	0.6
81.03329	2.0
83.01263	1.6
83.04891	5.7
84.02037	0.7
85.02818	3.0
85.99972	0.3
87.00747	3.9
88.88678	0.2
89.02313	11.8
93.03324	0.3
94.97968	0.2
95.01264	1.0
95.04895	0.7
97.02825	2.7
97.06498	0.2
97.33677	0.2
99.00745	1.0
100.25434	0.2
101.02319	10.7
106.04041	0.2
107.04928	0.2
109.02796	0.4
109.06435	0.4
111.00753	0.3
111.04385	0.6
113.02322	5.8
114.02609	0.2
115.03873	0.3
119.03381	3.2
125.02336	5.6
125.05937	0.7
126.02680	0.2
131.03384	0.7
133.02840	0.4
135.04382	0.3
135.08049	0.7
137.02261	0.3
139.03891	0.5
141.01849	0.5
143.03412	2.2
147.11673	0.4
149.02322	0.2
149.04477	0.3
161.03186	0.3
161.04459	2.9
163.11195	3.9
164.11487	0.3
165.12753	2.7
167.03351	0.3
177.01881	0.2
179.05521	3.4
181.12257	0.6
185.04533	0.3
191.10663	1.1
197.04416	0.2
199.06020	0.6
199.13361	0.2
203.05569	0.2
207.10170	0.5
208.10555	0.3
209.11760	100.0
210.12103	3.9
217.07121	0.6
221.06526	1.4
223.13220	0.2
225.00581	0.2
225.11296	0.7
226.11543	0.3
227.12831	9.6
228.13174	0.3
233.11789	0.2
235.08186	4.4
251.12862	0.6
253.09239	0.7
259.08218	0.4
263.07581	0.4
277.21710	39.8
278.22089	2.6
279.22305	0.3
287.07678	1.8
291.23474	0.2
294.44437	0.2
305.08771	1.7
309.14975	0.2
323.09674	0.8
334.00342	0.2
361.11444	0.2
379.12421	5.2
380.12802	0.3
397.13474	28.4
398.13791	1.6
399.14236	0.3
403.45120	0.2
415.14557	7.1
416.15152	0.4
589.24500	0.4
607.26294	0.9
885.47272	1.4
886.45746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98656	0.2
69.03318	0.9
71.01250	1.3
71.04883	0.2
73.01331	0.2
73.02813	0.5
83.04891	1.0
84.88025	0.2
85.02824	3.6
93.03310	0.2
95.04916	0.6
96.95869	1.1
97.02840	0.8
97.06461	2.5
97.33563	0.2
98.95589	0.2
99.00732	0.3
101.02334	0.2
106.04143	1.3
107.04912	0.7
108.02051	0.7
110.03589	0.2
111.04389	3.3
111.08013	0.3
117.03380	0.3
117.06955	0.3
119.04875	0.5
121.06441	0.3
123.04398	1.5
125.09588	0.7
127.07468	0.2
127.11180	1.0
131.04944	0.2
133.02843	4.1
134.03198	0.4
137.05928	0.2
137.09601	0.9
147.04404	1.0
151.03889	1.6
155.10654	0.5
155.14313	0.5
161.05983	0.7
163.07550	0.7
165.05505	3.5
165.12697	0.5
166.05698	0.4
167.14294	0.4
171.10165	10.3
172.10481	0.4
173.13263	1.8
175.03917	9.1
175.07567	0.9
175.11105	0.4
176.04288	0.4
177.12727	0.8
183.13817	3.0
185.11765	1.1
189.09058	0.3
189.12769	0.4
193.04980	5.8
193.12225	1.0
197.11664	0.4
199.11234	0.5
199.13213	0.2
205.04976	1.0
209.11823	1.5
211.13327	14.8
212.13681	0.7
217.12273	10.8
218.12607	0.3
221.11775	3.3
223.06142	0.4
227.12744	0.3
229.14398	12.3
230.14693	0.6
235.06145	0.4
239.12897	1.8
247.20697	0.3
253.07158	1.2
261.11285	24.6
262.11575	1.7
291.19666	2.9
303.12283	0.4
309.20709	0.8
327.21738	100.0
328.22046	6.9
355.68344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64881	1.8
69.03298	2.6
70.82613	5.3
71.01250	18.0
73.02811	21.5
75.00718	1.7
79.05417	1.7
83.01250	6.5
83.04887	7.3
85.02823	2.9
87.00759	1.9
90.34024	1.6
94.12366	1.6
95.04904	4.2
96.95881	14.0
97.02805	2.0
100.49974	1.6
101.02323	16.4
109.02837	2.6
111.04389	20.5
113.02325	2.7
121.06490	3.3
122.03640	2.3
123.04375	7.8
125.02312	2.3
139.03871	3.0
143.03323	2.8
143.08615	2.1
147.08005	3.2
151.07469	2.5
163.07555	7.6
165.09111	10.6
170.74590	1.9
171.11739	2.4
173.13226	7.8
175.07553	4.6
185.09560	2.1
189.09152	3.7
191.79848	2.0
197.09659	1.8
197.13277	2.5
199.11174	5.5
203.05493	3.4
203.14336	9.4
211.13313	2.1
213.12802	12.2
215.14220	3.6
217.12277	46.7
218.12808	2.3
231.13898	8.8
241.12215	7.4
243.10020	2.5
247.13434	4.9
257.11774	5.2
259.13364	10.9
261.11292	100.0
262.11499	5.7
275.12891	44.8
276.13364	3.6
285.11142	9.2
303.12369	86.1
304.12640	7.4
333.13245	4.1
339.75211	2.0
373.13275	2.1
453.43427	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	883.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	18.1
73.02818	10.2
75.26457	2.3
83.04922	3.0
85.02813	4.4
87.00740	2.5
89.02322	5.7
96.95900	6.2
101.02325	14.7
111.04388	13.2
113.02312	9.8
119.03378	3.3
161.04439	5.5
169.30373	2.1
173.13260	8.0
197.69354	2.4
217.12262	43.8
218.12737	3.4
219.10159	6.3
261.11304	100.0
261.14090	5.2
262.11612	6.9
263.09216	20.6
295.11853	4.5
352.16617	2.2
425.14523	9.3
459.14511	10.8
669.75024	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	881.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83727	1.3
78.95778	50.7
96.96842	6.2
98.20441	0.3
110.98414	0.4
116.41144	0.2
126.98283	0.2
129.70309	0.2
150.97925	2.1
152.99492	100.0
153.99823	1.5
171.00586	3.7
185.02016	0.3
194.31284	0.2
211.13199	0.2
255.23344	0.4
279.23294	17.5
280.23697	1.1
293.21286	0.5
433.23590	37.4
434.23843	2.7
447.25180	6.9
448.25540	0.7
896.65515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11507	0.4
69.03336	2.1
70.11436	1.4
71.01235	0.5
71.04890	0.7
83.04862	0.8
92.38425	0.4
96.95869	0.9
97.02814	0.7
97.06445	0.8
106.06136	0.4
107.08566	0.7
111.08047	3.3
113.09596	0.4
114.33212	0.4
119.08555	5.3
121.10112	0.8
123.08077	0.5
125.09593	2.1
127.11161	1.0
129.34796	0.4
133.10107	0.8
135.08051	0.8
137.09618	9.4
139.07408	0.4
139.11163	0.8
147.11537	0.5
149.09567	0.8
151.07507	1.3
151.11182	1.6
152.08261	1.1
155.10654	1.4
157.08597	6.1
162.05202	0.4
162.10350	1.4
163.11087	0.5
167.10687	2.0
169.12225	1.0
171.10182	35.2
172.10530	1.7
181.12245	0.7
183.10181	1.7
183.13754	2.2
185.11755	9.9
187.09634	2.2
190.80098	0.5
195.10181	0.5
195.13829	1.6
197.11760	11.6
199.13350	0.5
201.11226	2.8
207.13809	0.5
209.15363	2.1
211.13248	2.7
213.11464	2.3
213.14903	11.5
213.16998	0.6
214.15359	0.6
219.17448	1.0
223.16917	0.7
225.14920	2.3
229.19588	1.3
237.14949	1.0
251.16466	1.1
255.15886	0.4
263.20129	0.8
265.18082	1.0
268.16315	0.4
273.18622	4.8
291.19662	19.5
292.20117	1.0
309.17169	7.5
309.20673	100.0
310.21082	8.0
554.13458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.6
71.01255	62.0
71.88088	0.4
72.01582	0.6
72.99182	1.9
73.02820	100.0
74.03149	0.8
75.00741	1.0
78.89758	0.4
79.95609	0.5
80.96401	1.2
81.03325	0.7
83.01256	23.9
85.02827	6.2
87.00758	1.6
87.14446	0.5
89.02320	11.1
95.01261	2.6
96.95894	23.4
97.02840	1.7
98.19730	1.0
99.00741	1.3
101.02325	69.8
102.02667	1.0
103.03943	0.5
113.02335	23.0
119.03391	6.7
125.02362	3.2
131.03391	6.4
139.07544	0.7
143.03406	7.3
147.02930	0.6
149.04463	14.9
155.03419	2.9
161.04465	23.9
162.04871	0.5
171.08136	0.6
173.09656	0.5
179.16833	0.4
189.12784	2.5
191.05437	0.5
203.05539	3.1
219.13864	10.6
221.06630	7.5
245.11800	1.1
257.08148	1.2
263.12872	76.0
264.13193	3.4
299.02078	0.4
305.14014	1.1
333.20667	0.5
337.03918	4.1
355.05139	0.5
361.28925	0.4
367.19720	0.7
455.20969	1.5
456.98764	5.8
457.99188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	3.7
71.01250	71.7
71.31815	1.1
72.99178	3.3
73.02817	100.0
75.00719	2.2
83.01254	28.8
85.02825	8.5
86.28483	1.1
87.00772	2.7
89.02309	14.6
89.60625	1.1
95.01256	2.7
96.95895	4.5
97.02824	2.3
101.02320	82.2
102.02642	1.4
111.04385	5.6
113.02322	27.9
119.03381	9.4
125.02317	2.7
131.03426	7.9
143.03435	7.3
149.04453	14.6
155.03456	1.9
161.04459	30.9
163.07503	2.7
163.78531	1.3
173.13322	4.0
175.07555	2.2
189.12790	4.8
203.05580	3.6
217.12270	20.4
221.06590	7.0
229.69312	1.1
247.66028	1.1
261.11310	44.1
262.11740	2.8
443.93765	1.3
454.62732	1.2
751.48596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.7
71.58714	0.4
79.95627	2.3
80.20349	0.3
80.96401	3.3
87.00745	0.4
89.02339	0.3
96.95893	100.0
98.95487	0.6
118.94109	0.6
170.07288	0.4
171.08073	4.8
173.09654	0.4
185.09683	1.0
195.08139	0.3
197.06053	0.5
198.06808	1.8
213.07347	0.3
213.09129	1.8
241.00148	0.4
257.08157	3.4
337.03873	17.4
338.04214	1.0
355.05106	1.5
355.55673	0.3
411.96359	0.3
456.98822	33.2
457.99014	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	879.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	8.6
71.01247	90.9
72.50966	1.0
72.99176	3.0
73.02813	75.7
74.03150	1.4
75.00743	5.7
83.01246	20.4
83.04891	2.7
85.02818	37.2
85.03344	1.8
87.00751	2.6
89.02310	28.5
95.01250	12.7
96.95884	3.5
97.02831	3.2
99.00742	2.0
99.79746	1.1
101.02315	100.0
102.02684	2.3
111.04395	14.4
113.02323	84.5
114.02691	1.8
119.03374	17.4
121.06441	1.8
125.02341	4.2
131.03380	15.8
135.04387	4.8
137.09612	14.8
143.03391	11.5
147.02943	1.5
149.04453	22.7
151.07520	1.2
155.03375	2.6
161.04453	42.4
163.07535	2.6
173.13293	9.0
175.07567	2.9
189.12746	4.1
199.11220	2.6
203.05553	4.5
217.12267	40.3
218.12627	2.8
221.06613	13.6
242.49802	1.1
261.11282	81.2
262.11627	5.0
411.20053	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	877.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	6.5
70.95877	3.1
71.01255	16.6
71.04895	1.7
72.99171	2.2
73.02798	1.8
83.01244	1.7
84.18198	1.0
85.02817	4.1
87.00752	3.9
89.02318	10.6
95.04912	1.0
96.95872	1.2
97.02810	3.0
101.02335	8.9
113.02316	4.9
113.18828	1.0
114.99657	1.1
116.92731	1.4
119.03374	2.9
121.02855	1.4
124.21236	1.1
125.02329	2.2
125.09594	2.0
151.11139	2.0
153.12677	1.4
161.04298	1.0
161.09615	4.2
179.10667	6.2
189.17688	1.0
197.11765	37.6
198.12115	1.6
209.11758	1.5
221.06596	1.6
223.09830	1.4
235.08162	1.8
241.10800	2.7
250.29796	1.0
255.23277	48.3
256.23599	3.2
277.21783	1.2
379.50101	1.1
397.13614	3.6
742.07074	1.2
839.80585	1.2
877.48004	100.0
878.48499	18.7
903.31030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52479	0.8
64.40993	0.8
67.01772	1.1
68.99674	3.2
71.01255	56.0
72.99180	14.3
73.02834	2.7
75.00746	23.9
78.47179	1.1
80.91550	1.4
81.22929	0.9
83.01269	5.7
85.02827	24.5
85.99982	1.3
87.00755	8.4
89.02315	20.5
91.67750	0.8
95.01260	8.5
96.95898	3.5
97.02832	1.8
98.19761	2.4
99.00758	22.3
101.02325	22.6
111.00738	2.2
112.01529	6.4
113.02330	23.1
115.00290	1.3
119.03413	4.6
125.02415	1.0
131.03476	1.4
133.01334	2.8
135.00433	0.9
139.00266	2.8
143.03421	2.4
151.82817	0.8
153.00377	1.1
153.01605	3.4
154.99550	7.4
157.01344	4.3
161.04448	2.1
166.99544	2.6
168.67664	0.8
197.00641	7.0
208.99370	1.2
234.75946	0.8
336.58255	1.0
428.06104	1.0
429.14124	0.9
437.34201	0.9
473.49948	0.9
615.39594	1.1
629.36279	1.0
637.36737	3.3
795.45325	96.2
796.45471	20.5
817.43500	100.0
818.43756	20.9
824.41974	1.2
861.42480	4.1
877.45667	19.9
878.47034	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	877.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.7
69.93063	0.8
69.93474	1.3
71.01252	3.2
73.02808	0.6
75.00742	0.8
81.03308	0.3
83.01228	0.6
85.02813	2.8
93.03326	3.0
95.04922	0.5
96.95870	2.1
97.02813	1.0
99.00733	1.0
101.02330	1.4
106.04114	6.6
107.04903	13.0
108.02045	3.6
113.02329	4.4
117.03355	1.1
119.04907	9.8
119.79662	0.4
121.02831	2.1
123.04397	5.2
125.02328	1.3
127.30473	0.4
130.04112	1.9
131.04919	11.2
132.02071	0.5
133.02841	20.1
133.06543	0.4
134.03226	0.4
135.04405	0.8
138.03120	0.9
143.03415	1.6
143.04898	0.9
145.02859	1.3
145.06499	2.3
147.04416	12.5
147.66696	0.4
148.04797	0.7
149.02335	0.5
149.05974	1.6
151.03905	35.7
159.04422	1.2
159.19144	0.3
161.04587	0.6
161.05925	3.7
163.03876	1.2
165.05478	16.7
173.05928	4.1
175.03911	100.0
176.04262	3.1
177.05496	0.4
185.05954	0.7
187.03944	3.0
189.05460	0.7
191.05380	0.4
191.07051	0.5
193.04977	19.3
194.05312	0.5
203.03545	0.7
203.06961	0.7
205.04990	9.1
217.04985	13.8
218.05342	0.5
223.06042	13.0
224.06351	0.7
235.06041	2.0
247.06065	1.0
253.07115	8.1
277.07065	2.3
279.29630	0.4
295.08179	11.2
357.09521	0.7
369.09659	5.2
375.10938	0.4
387.05896	0.6
387.10785	7.5
411.10834	1.7
429.11868	1.3
447.12891	6.6
448.13284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.9
71.01256	1.6
71.12769	0.5
71.13099	0.3
73.02800	0.6
78.95823	0.3
81.03323	1.2
83.01266	1.0
85.02803	1.7
85.41028	0.3
85.98125	0.3
87.00735	0.3
91.01767	0.8
93.03343	2.5
95.01272	0.9
96.95894	0.9
97.02813	0.8
101.02301	1.2
106.04130	4.1
107.04903	25.1
108.02064	2.7
108.05245	0.7
109.02833	0.3
113.02329	2.9
119.04917	1.8
121.02840	2.8
123.04390	2.2
125.02333	4.8
131.04858	1.5
132.02010	0.6
133.02849	4.7
135.04419	0.7
138.03104	0.9
143.03400	0.8
143.04958	0.7
145.06503	0.7
147.04390	1.4
151.03908	100.0
152.04247	2.7
157.06479	0.5
159.04352	0.5
161.05972	1.4
165.05461	3.6
169.06482	1.9
171.04372	0.6
173.05972	0.9
175.03914	9.1
176.04289	0.3
185.05995	1.3
187.03911	1.0
189.05457	0.6
193.04982	4.3
197.06006	4.2
201.05511	1.1
203.03520	0.3
203.07089	2.0
205.04962	2.9
215.07132	0.8
217.05017	2.4
223.06055	2.0
233.08134	1.1
235.06154	0.4
241.05058	2.8
241.08694	1.3
242.05756	1.0
243.06465	0.7
247.06090	0.9
250.58292	0.3
253.07123	2.7
259.06073	4.0
260.06561	0.4
277.07144	9.9
278.07391	0.4
285.07687	1.6
295.08179	1.2
307.09671	0.6
313.09204	1.2
367.11823	1.0
393.09772	7.5
394.10300	0.7
411.10834	1.3
429.11716	0.4
521.84473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	8.7
68.99673	1.7
69.03326	69.9
71.01251	37.1
71.57497	1.4
83.04902	4.1
83.53246	1.5
84.32465	1.5
85.02821	38.3
93.03326	3.8
95.04899	13.3
96.95905	9.7
97.02816	21.5
97.06447	10.3
109.06471	13.5
111.04395	10.6
119.04896	2.9
121.02827	1.8
135.08025	1.8
137.05991	4.2
139.03914	3.2
167.14407	3.2
168.87637	1.6
185.19148	1.5
191.05466	1.8
209.11601	1.4
211.16991	1.5
249.16789	1.5
251.20032	2.6
303.59845	1.5
317.24823	4.0
333.24060	2.6
333.45596	1.5
342.01291	1.6
349.27628	4.0
354.47855	1.8
359.26041	2.1
375.28937	17.0
377.26862	9.5
385.27420	8.9
399.28885	1.6
403.28522	42.3
404.28711	2.5
411.28915	1.9
413.26846	2.2
429.30267	8.3
431.27933	2.7
439.28458	2.7
443.31607	5.7
457.29736	3.0
469.33713	1.7
471.31235	3.0
472.31747	1.6
475.30835	1.7
489.32309	5.8
497.32968	2.1
501.32166	2.6
515.33655	6.8
519.33301	3.0
523.35303	1.6
541.35352	7.6
542.35260	1.9
559.36407	11.0
577.37311	17.3
578.37897	2.0
603.35193	6.5
621.36383	100.0
622.36487	11.2
682.75769	1.7
796.82538	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	875.441
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	2.6
71.01256	50.7
71.58155	2.5
71.58568	2.4
72.99190	7.1
75.00749	16.7
78.95773	2.1
80.91606	2.6
83.01259	6.0
85.02821	21.7
87.00747	5.9
89.02309	16.2
89.35429	1.8
95.01258	6.0
96.95888	5.0
99.00748	19.4
101.02345	19.6
112.01530	3.2
113.02344	21.1
119.03371	3.4
211.67323	2.0
453.34064	3.4
455.35239	4.5
494.50644	2.7
497.36447	3.4
569.39081	4.1
613.37524	3.7
793.43713	92.6
794.44482	15.9
815.41956	100.0
816.42529	19.0
875.44159	17.4
876.43817	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	865.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79705	7.4
70.96247	21.9
71.01260	25.2
80.78117	6.6
87.00727	6.9
89.02332	19.4
95.80675	8.1
101.02341	18.7
113.02380	10.5
125.02362	7.3
147.01276	6.5
148.72385	7.1
171.10205	100.0
179.05417	16.2
209.11734	32.5
210.12120	12.0
235.08278	7.9
255.23259	15.7
277.21738	54.1
379.12442	20.1
397.13541	61.2
398.13965	9.4
415.14584	10.7
865.43427	35.9
865.99213	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	865.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07552	10.5
71.01241	31.6
78.95760	11.2
84.04979	11.7
84.73775	11.3
89.02312	23.7
101.02319	20.0
104.01849	11.5
113.02312	12.8
125.02351	13.4
171.10118	82.4
209.11725	48.6
210.12141	15.1
236.97252	12.0
240.15836	11.0
255.23376	19.1
277.21649	98.3
310.53748	12.7
379.12216	36.2
382.27872	13.0
397.13382	100.0
398.13855	19.6
415.14642	18.0
482.88953	11.4
865.43292	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40738	9.7
71.01250	34.5
71.04909	6.1
71.28885	1.0
73.02817	10.9
83.01250	3.8
85.02818	11.3
87.00729	1.8
89.02313	16.9
95.01263	3.2
96.95901	7.0
97.02787	1.8
98.20550	2.1
99.00751	1.5
101.02312	21.4
111.04389	5.3
112.98663	2.1
113.02331	11.6
119.03402	6.0
121.06445	2.9
145.10127	7.7
147.08044	1.7
149.04356	1.4
161.04465	7.3
161.05627	1.3
176.03474	1.2
179.05547	2.4
183.11739	2.0
189.09175	1.7
195.13918	5.6
201.12759	14.9
203.05531	2.0
213.14920	10.6
245.11783	36.4
246.12144	2.7
375.20197	100.0
376.20612	4.3
389.16116	1.4
397.18344	1.7
407.17273	8.8
449.18100	15.9
514.74005	1.3
884.65216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39303	0.7
71.01251	0.2
79.95608	1.5
87.00745	0.1
89.40644	0.1
96.95882	100.0
97.95821	0.3
98.20491	0.1
98.95465	0.3
109.40835	0.1
109.41631	0.1
116.14302	0.1
135.04320	0.1
179.03397	0.2
212.98199	0.1
241.00195	0.1
339.05377	3.4
340.05649	0.2
375.20401	0.1
397.13574	0.1
415.14594	0.2
416.14999	0.1
825.14618	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67715	0.5
69.03328	1.4
71.01255	16.6
71.01654	0.9
71.57094	0.6
71.57611	0.7
72.99181	1.5
73.02808	2.2
80.02543	1.3
80.96377	1.2
81.03333	1.9
83.01280	2.4
83.04890	3.9
84.02048	0.9
85.02824	4.8
87.00752	4.7
89.02314	14.2
93.03322	0.6
95.01279	1.0
95.04913	0.8
97.02821	2.2
99.00738	0.9
101.02321	12.5
101.02988	0.7
112.89709	0.6
113.02332	7.1
119.03387	4.4
125.02348	6.3
131.03377	0.8
135.08058	0.7
139.03932	0.7
141.01593	20.5
143.03404	2.7
150.21997	0.6
161.04463	3.0
163.11246	4.0
165.12732	1.6
179.05527	3.4
181.12259	0.8
191.10741	1.2
199.06015	0.7
209.11769	100.0
210.12128	5.5
217.07130	1.2
220.85452	0.5
221.06592	1.9
225.11273	0.9
227.12839	14.0
228.13287	0.8
235.08202	5.4
253.09373	0.6
255.23260	56.4
256.23666	4.0
257.68607	0.5
259.08115	0.7
263.07635	0.6
269.24808	0.6
277.21765	0.8
287.07724	1.2
305.08798	1.6
308.80637	0.5
377.72391	0.5
379.12476	7.9
380.12689	0.7
381.98810	0.6
397.13495	38.1
398.13867	2.2
415.14581	8.8
415.19846	0.9
455.69565	0.6
607.26031	0.9
653.37579	0.8
863.48358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22051	1.1
69.03324	1.1
71.01260	13.3
71.58214	1.9
72.15853	1.0
72.50378	1.0
72.99212	1.3
73.02808	3.3
73.41093	1.0
78.03220	1.0
78.95782	1.1
80.02525	1.1
80.96399	1.5
81.03291	2.4
83.01262	1.8
83.04912	5.5
84.02036	1.1
85.02837	3.4
87.00754	4.2
89.02325	15.0
97.02842	2.1
101.02332	10.9
113.02338	7.1
119.03380	2.9
125.02336	6.5
126.45262	0.9
131.66501	1.0
143.03363	2.5
161.04468	1.8
162.06238	1.4
163.11195	3.5
165.12781	2.6
179.05559	4.1
181.12544	1.0
209.11765	100.0
210.12065	4.7
227.12822	9.9
235.08141	4.1
253.09261	1.5
255.23274	55.6
256.23495	3.1
379.12509	7.4
386.92587	1.1
397.08359	1.9
397.13513	37.9
398.13589	1.6
415.14386	8.3
450.07562	1.2
695.67737	1.1
719.97510	1.2
863.49561	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	863.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.9
63.06288	0.4
69.84867	0.3
69.91176	0.3
71.01246	0.6
71.53695	0.5
73.02842	0.4
79.82453	0.3
89.02289	0.3
93.40611	0.3
95.74792	0.3
97.06487	0.4
113.02313	1.0
148.08801	0.9
150.10432	0.9
154.23979	0.3
163.11154	0.8
165.12756	14.9
166.13092	0.6
175.11198	0.7
177.12732	0.5
183.13820	1.1
191.14293	0.5
191.22081	0.4
193.12254	1.0
195.13838	2.2
213.14893	8.7
217.15939	0.5
223.01187	0.3
247.20619	8.0
248.20959	0.8
273.18564	6.2
274.18866	0.4
291.19641	100.0
292.19952	6.9
409.29514	9.9
410.29935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01581	3.4
62.31102	1.3
69.03327	1.9
71.01254	70.9
72.99178	3.9
73.02814	27.1
75.00739	3.4
83.01258	10.5
85.02824	26.8
87.00748	5.7
89.01756	1.8
89.02312	31.8
95.01257	5.1
96.95898	5.3
97.02837	1.7
98.20587	4.9
99.00749	6.5
101.02322	53.1
111.00797	2.6
113.02323	33.0
119.03394	10.2
125.02325	1.9
143.03389	4.0
149.04469	2.3
153.09148	2.6
159.02914	4.8
161.04466	23.2
163.11253	1.6
167.14322	1.4
177.12730	1.4
179.05585	4.8
181.12277	2.0
189.12804	9.7
193.85486	1.5
203.05614	2.7
205.12236	1.7
207.13831	6.5
209.11800	2.1
211.13351	5.6
225.14876	2.9
229.14412	90.4
230.14842	3.4
253.14470	1.9
325.16586	1.9
351.18033	3.6
369.19135	33.0
370.19385	2.7
387.15207	3.2
387.20218	66.1
388.20682	5.4
411.35040	1.5
429.21277	100.0
430.21616	7.8
763.99799	1.6
859.29425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34296	0.6
67.01730	0.6
69.03311	1.9
69.25434	1.1
69.25847	5.0
71.01248	14.2
72.99174	1.7
73.02814	23.7
75.00739	1.8
79.05408	3.2
79.95634	0.5
81.03329	2.0
83.01249	6.1
83.04892	6.6
85.02815	2.6
85.99969	0.6
93.03310	1.1
93.06953	1.5
95.01240	0.7
95.04889	2.5
96.95892	2.5
97.02829	3.3
97.06444	0.6
98.19762	1.3
99.04368	1.7
101.02322	16.6
101.02989	1.0
105.06993	0.8
107.04897	1.4
109.02817	3.2
109.06454	0.9
110.03600	0.8
111.04397	28.5
113.02322	3.3
117.06950	1.0
119.04885	0.7
119.08521	1.1
120.01449	0.5
121.02911	0.9
121.06478	2.4
122.03602	1.1
123.04408	5.5
123.07980	0.6
124.01527	1.4
125.02316	2.9
125.05930	1.3
131.03377	1.3
133.06487	1.5
133.10114	0.7
135.08026	1.9
137.02310	0.9
137.05971	1.2
138.03117	1.1
139.03918	3.1
139.07449	0.8
143.03397	0.9
145.10107	1.2
147.04327	0.6
147.08034	1.6
148.05157	1.0
149.06013	1.0
149.09624	1.7
151.07553	1.9
155.03375	1.2
157.06416	0.7
157.10133	0.8
159.07996	1.3
159.11671	1.3
161.04472	1.7
161.05916	1.1
161.09650	1.0
163.07542	9.8
165.09103	12.9
169.10036	0.7
171.11685	1.3
173.06120	0.7
173.09615	1.9
173.13254	11.9
175.07555	5.0
175.11189	1.2
177.09103	1.1
183.08118	0.7
185.09601	1.2
185.13280	1.2
187.07481	0.9
187.11211	1.5
189.09145	5.2
189.12769	1.8
191.07115	0.7
195.11668	0.8
197.09564	1.1
197.13274	2.5
198.10359	0.8
199.11194	6.6
201.09120	1.0
201.12762	2.3
203.05545	1.9
203.10713	1.2
203.14345	9.0
204.07747	0.7
211.11229	1.2
213.12782	11.4
214.12999	0.6
215.10725	1.8
215.14323	3.4
216.11552	0.8
217.12268	50.5
218.12599	2.0
223.11230	0.7
229.12297	2.5
231.13835	10.3
241.12267	7.3
241.97533	0.6
243.10202	4.4
247.13350	6.2
257.11807	5.4
259.13345	10.9
260.13937	0.7
261.11285	100.0
262.11627	5.5
263.14948	1.5
271.13348	0.8
275.12860	42.4
276.13147	2.1
285.11301	9.2
287.52594	0.6
289.14496	0.6
292.79977	0.6
303.12354	89.6
304.12711	5.3
333.13397	3.4
345.13254	0.8
375.14386	0.7
405.15466	1.5
724.95288	0.7
854.48187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01588	2.3
68.99725	1.2
69.79419	5.0
69.79830	3.1
71.01251	79.1
72.99179	4.4
73.02823	22.3
83.01246	10.1
84.46371	1.3
85.02818	27.5
87.00748	4.6
89.02312	28.0
95.01263	6.2
96.95900	3.5
97.02803	3.1
97.50890	1.3
99.00763	6.8
101.02319	52.9
108.02058	2.0
111.00729	2.2
113.02332	30.5
118.60055	1.3
119.03379	14.5
119.87077	1.3
125.02299	2.5
127.83517	1.3
131.03345	1.8
138.01855	27.2
143.03380	6.0
149.04390	2.3
151.03821	1.4
159.02876	5.6
161.04449	21.5
163.11151	1.8
179.05508	4.5
181.12305	3.1
186.26497	1.3
189.12755	4.9
203.05522	2.7
205.12276	4.5
207.13814	6.2
225.14900	4.3
260.23129	1.5
325.16757	1.9
349.06665	1.7
351.17926	7.5
369.19174	35.7
370.19495	3.7
387.20233	90.8
388.20602	7.0
429.21249	100.0
430.21576	10.2
504.44373	1.6
504.99377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
60.01575	0.8
60.18926	0.4
68.24966	0.4
69.03330	1.1
71.01247	26.8
72.99187	1.2
73.02811	27.3
74.03131	0.6
75.00745	0.8
82.29916	0.4
83.01252	9.7
85.02811	3.9
87.00771	1.2
89.02308	11.1
90.39879	0.4
93.62140	0.4
95.01276	1.2
96.95882	4.1
97.02852	0.4
99.00777	1.2
101.02314	31.4
113.02321	12.3
119.03373	4.8
122.77931	0.4
125.02358	1.7
131.03386	2.7
143.03407	3.6
149.00868	0.4
149.04443	8.6
150.04846	0.6
155.03436	0.8
161.04453	13.7
161.05812	0.7
179.05487	0.6
203.05574	1.7
221.06573	4.8
261.13348	0.7
303.14569	2.3
371.20734	2.8
503.24918	20.1
504.25577	2.6
536.37579	0.5
572.43958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44585	1.5
68.99681	2.3
71.00893	2.3
71.01251	32.2
72.99188	2.7
73.02792	1.9
75.00748	19.0
75.12804	1.8
83.01256	3.6
84.28554	1.8
85.02816	21.4
87.00747	3.0
89.02304	14.1
95.01240	7.2
96.77462	1.8
96.95895	2.5
99.00747	18.6
101.02327	16.5
113.02339	16.4
119.03392	4.1
139.00281	2.6
278.46725	1.9
795.44885	17.4
853.41052	100.0
854.41077	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	857.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
76.75595	0.3
79.95599	5.5
87.00748	10.8
90.10571	0.4
96.95885	100.0
97.95817	0.4
98.20542	1.1
133.78441	0.3
159.04356	0.6
173.09636	3.9
174.09991	0.4
191.05522	0.6
199.11223	0.7
221.48064	0.4
229.34204	0.4
243.10225	0.8
261.11249	0.6
341.06952	34.2
342.07321	2.7
586.03851	0.4
743.90088	0.4
859.34271	0.4
880.15271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	57.4
68.99669	1.1
71.01250	19.5
72.99191	2.5
73.02799	0.9
73.37339	0.8
73.39750	0.9
75.00749	11.3
79.23849	0.7
81.90936	0.8
83.01259	1.4
85.02811	10.7
87.00740	2.9
89.02324	10.3
95.01274	3.6
96.95853	1.6
99.00744	12.4
101.02324	12.2
113.02319	7.9
119.03364	1.5
139.00348	1.1
157.01361	1.0
161.04451	1.0
218.80481	0.8
229.73740	1.0
269.07468	1.0
462.03397	0.9
610.32471	1.0
777.86633	1.0
795.45331	100.0
796.45630	15.6
796.59741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44865	4.0
71.01263	1.1
73.02778	0.5
78.68935	0.5
79.76825	0.5
79.95609	4.2
80.96396	4.9
83.04882	0.6
87.00761	1.4
93.84626	0.5
96.95893	81.9
101.02342	0.6
103.00273	1.5
111.04401	0.9
111.72588	0.4
125.54744	0.4
135.04410	0.7
138.96962	0.8
141.95686	0.4
157.06500	0.7
158.07184	0.5
161.09639	1.4
166.96553	0.9
171.08049	1.3
173.09644	32.8
174.09990	1.3
188.08408	0.9
189.09132	1.9
201.09157	8.2
217.12299	3.0
222.99237	0.5
229.08661	2.1
241.00209	42.6
242.00507	1.2
245.08174	10.2
246.08412	0.7
247.09741	18.3
248.10141	0.6
261.11328	1.9
272.60361	0.5
321.15598	0.9
355.04941	100.0
356.05237	7.2
454.61758	0.5
486.26837	0.5
503.12320	28.8
504.12488	2.7
617.16479	0.5
779.22198	11.5
780.22858	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	847.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98691	2.6
69.03337	4.1
70.93514	6.7
70.93862	3.2
71.01254	61.1
72.99173	5.3
73.02805	11.9
75.00739	3.9
83.01246	11.1
85.02814	33.8
87.00751	9.0
89.02311	8.2
90.62350	2.3
92.44891	2.8
95.01241	4.9
96.95874	14.3
97.02817	5.4
99.00757	4.8
101.02308	23.6
102.58568	2.6
112.01545	4.7
113.02333	36.4
124.01563	5.4
125.02364	14.8
141.01581	47.6
143.03456	4.4
161.04416	4.7
183.02701	3.5
289.21475	5.1
305.24719	3.6
329.30405	4.3
351.28592	3.4
473.34912	9.3
491.35773	3.5
495.33136	3.2
513.33630	4.8
617.38922	44.6
635.40070	89.7
636.39691	13.8
639.36816	13.2
657.38440	36.9
658.38690	3.8
675.38983	13.9
677.41174	46.8
678.41479	11.3
699.38568	7.0
717.40442	14.3
759.40924	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	851.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
63.87710	1.4
69.39163	3.3
69.39581	8.7
71.01257	5.9
73.02815	10.9
75.26632	1.2
79.19434	1.3
85.02800	1.6
89.02351	1.6
95.01257	2.4
96.95874	4.7
97.02835	1.8
98.19789	2.8
99.00745	1.6
101.02314	10.2
103.00246	20.0
113.02333	3.4
121.06504	2.2
135.08046	7.6
138.06685	1.6
145.01323	4.2
147.08076	3.2
151.07611	2.2
152.08281	3.3
152.29947	1.4
153.09122	12.3
157.06506	1.5
161.09602	6.1
163.07568	2.7
171.08012	12.9
173.05983	5.1
173.09625	3.6
185.09698	7.0
187.07532	1.6
189.09174	5.0
195.08067	7.2
198.06798	1.3
201.09219	2.2
205.12265	6.6
213.09155	34.3
217.03430	2.4
223.13303	4.4
231.10225	32.3
232.10553	1.8
245.08275	1.4
257.08102	7.1
275.09274	32.7
293.10300	31.6
294.10678	1.8
328.92368	1.6
335.11349	35.5
367.17514	5.6
388.51059	1.4
427.19641	7.9
468.08212	1.4
616.96198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.2
67.73577	1.4
70.97807	2.1
71.01252	20.6
72.99183	1.5
73.02817	6.5
80.05663	1.4
83.01261	5.4
85.02819	11.2
87.00752	2.7
89.02315	3.9
93.03276	1.7
95.01263	2.7
96.95864	5.2
99.00757	2.8
101.02322	18.6
113.02330	6.1
119.01289	1.4
136.01579	2.6
137.02335	13.4
147.00681	1.7
148.01555	5.4
149.02315	3.5
151.03909	1.9
153.05484	1.8
163.03867	6.8
164.01044	2.2
164.04724	4.9
165.01842	91.5
166.02235	2.8
177.01863	2.9
179.03416	25.2
179.06961	3.2
180.04193	53.4
181.04987	8.2
188.26259	1.6
192.48225	1.5
194.05716	5.7
195.02887	2.6
195.06557	55.2
196.07295	9.4
210.05312	9.1
211.09708	12.5
225.07642	28.5
355.14114	2.0
358.12653	1.9
359.11362	3.4
373.14978	25.3
374.13654	3.3
389.15860	8.8
470.94955	1.4
533.20343	5.3
551.21326	82.6
552.21600	8.9
581.22137	4.1
585.74475	1.5
593.22369	4.1
599.23444	100.0
600.23907	10.7
618.38245	1.7
641.24457	13.7
642.25513	1.5
737.22498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.5
69.92183	15.7
69.92599	7.4
70.85050	3.3
71.01253	19.9
73.02836	8.3
83.01260	9.6
85.02806	12.4
87.00783	3.5
89.02322	3.9
96.95899	6.5
101.02305	20.3
113.02317	9.5
137.02316	12.4
159.52319	3.4
163.03957	6.4
164.00989	4.4
165.01852	100.0
173.08522	4.2
179.03433	27.1
180.04210	62.8
181.04832	8.3
194.05757	4.3
195.06578	69.1
196.07245	14.7
210.05273	10.3
211.09668	17.1
225.07680	29.1
271.93716	4.2
347.62857	3.5
373.15118	24.0
389.16223	8.1
434.96298	3.8
533.19952	5.0
551.21375	82.6
551.29559	5.4
552.21783	5.8
581.22778	8.8
593.22333	4.1
594.28333	4.3
599.23425	99.6
600.23700	13.9
641.24542	12.1
785.33911	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	847.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.4
61.98696	0.9
69.03327	1.1
69.48356	5.6
71.01255	10.7
71.13871	0.8
72.99160	1.1
73.02818	2.8
83.01279	1.1
83.04861	3.5
85.02821	4.2
87.00740	2.1
89.02316	4.3
91.05386	0.8
93.03325	1.6
95.04896	1.2
96.95879	5.0
97.02828	2.2
99.00744	1.2
101.02312	5.2
105.07014	1.0
111.04390	22.1
113.02324	4.5
117.06977	1.1
119.03387	1.6
121.06456	1.1
122.03594	0.9
123.04363	1.3
125.02302	1.8
130.99854	0.7
131.08517	1.1
135.04372	0.8
135.08061	1.1
137.02344	0.8
143.08551	1.0
145.10059	1.0
147.04321	0.9
147.08040	1.2
148.05199	1.0
149.00800	1.0
149.05942	0.9
151.07594	1.4
151.19664	0.7
157.10106	0.8
161.04388	0.9
161.09554	0.9
163.07545	4.7
169.04401	0.9
169.10043	1.0
171.11676	1.8
173.13289	13.6
175.07570	6.6
175.11174	1.8
187.11224	1.4
189.08997	1.2
189.12811	1.9
199.11165	4.8
201.12790	0.7
213.12787	1.0
215.14302	1.0
217.12276	84.0
218.12669	3.9
231.13809	1.1
235.13322	1.5
241.12233	1.4
243.10233	1.5
259.13361	2.1
261.11288	100.0
262.11600	4.8
279.12305	1.1
298.50894	0.9
303.12338	3.7
312.71027	0.8
321.13464	2.1
335.15060	1.0
363.14423	5.5
369.45435	0.7
375.20605	1.1
393.58777	0.8
423.16580	70.5
424.17053	4.1
465.17563	0.9
585.21808	18.8
586.21674	1.9
623.89771	0.8
685.28558	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	845.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00982	1.4
59.01250	14.3
61.98691	2.0
63.86626	0.8
69.03330	1.5
70.86594	0.8
71.00892	1.0
71.01256	13.3
71.59533	0.9
73.02807	1.9
75.00731	1.4
78.95775	1.3
83.04917	1.4
85.02818	3.2
87.00748	3.9
89.02312	9.9
95.04922	1.3
97.02817	1.9
97.06461	16.2
99.05643	0.8
101.02319	9.3
113.02326	4.1
119.03365	2.8
123.08046	7.9
125.02325	2.5
125.09608	100.0
126.09935	3.4
143.10704	1.9
149.17215	0.8
152.99463	1.3
156.29771	0.8
169.08595	2.0
179.05496	1.2
187.09677	72.2
188.10020	2.5
211.09717	1.1
221.06654	4.8
277.21747	10.5
278.21851	1.3
363.67676	0.9
397.13437	2.1
567.22693	2.7
585.23798	5.9
586.24603	1.2
845.45337	94.9
846.45709	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	845.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.1
69.52929	3.6
69.53362	3.6
71.01251	16.0
72.99209	1.4
73.02815	2.7
78.95760	0.9
83.01263	1.5
83.04888	1.7
85.02830	3.9
87.00734	3.7
89.02311	10.4
94.38937	1.0
95.04876	1.6
97.02814	2.1
97.06464	13.5
101.02324	10.0
102.55048	0.9
113.02341	4.1
119.03373	2.2
119.24478	0.9
123.08047	8.4
125.02327	3.0
125.09610	61.1
126.09956	2.0
127.55732	1.0
161.04523	1.0
187.09669	36.3
209.11859	1.2
235.08394	1.7
271.23926	1.1
277.21719	28.1
278.21942	2.2
282.49316	1.0
397.13196	5.3
567.23016	2.9
585.23785	2.3
692.76196	1.0
845.45392	100.0
846.45807	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	845.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.3
59.06318	0.2
69.03310	0.2
71.01252	1.7
71.56515	0.3
72.99181	0.3
83.04894	0.2
85.02824	0.4
89.02328	1.9
95.01266	0.6
96.95909	0.3
97.02849	0.3
101.02328	0.9
104.14988	0.2
106.93558	0.2
113.02326	0.7
119.03384	0.9
125.50564	0.2
133.12144	0.2
137.02318	0.4
138.91286	0.2
149.05968	0.2
151.03908	2.5
152.04318	0.2
153.05496	3.0
161.04439	0.3
162.88629	0.2
179.05586	0.8
181.04985	63.0
182.05327	2.3
195.06639	0.3
196.07341	63.0
197.07674	2.7
211.09698	100.0
212.10023	4.1
245.77179	0.2
390.35535	0.2
415.16122	0.5
419.33142	0.2
463.12167	0.2
800.70221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.1
61.98695	1.5
68.99677	2.6
70.90856	1.4
71.01257	15.4
71.58235	1.5
72.99175	5.4
73.02827	2.2
75.00744	2.7
76.42539	1.3
83.01254	2.0
85.02824	8.9
87.00743	2.1
88.98691	1.5
89.02307	2.2
95.01272	4.5
96.95882	21.1
97.02847	1.5
98.70261	1.6
99.00760	9.5
101.02342	3.8
101.72335	1.5
113.02311	6.3
113.03036	1.5
118.64339	1.4
123.67285	1.4
126.60365	1.5
133.01404	1.7
163.03926	1.5
268.61398	1.5
390.27661	1.7
845.39398	100.0
845.89337	2.7
846.40045	17.1
864.59198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
69.67847	0.4
69.68249	1.2
71.01260	0.2
78.95768	0.2
79.95606	1.7
87.00735	0.2
96.95883	100.0
101.97770	0.2
128.03381	0.2
143.04494	0.2
143.45360	0.2
150.03178	0.2
165.05487	0.4
179.03386	0.2
191.05551	0.3
195.06491	0.4
225.85260	0.2
251.03328	0.2
306.07693	0.3
339.05392	10.6
340.05774	0.7
355.04926	0.5
379.21976	0.2
489.56668	0.2
525.26941	0.2
735.44556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
69.67847	0.4
69.68249	1.2
71.01260	0.2
78.95768	0.2
79.95606	1.7
87.00735	0.2
96.95883	100.0
101.97770	0.2
128.03381	0.2
143.04494	0.2
143.45360	0.2
150.03178	0.2
165.05487	0.4
179.03386	0.2
191.05551	0.3
195.06491	0.4
225.85260	0.2
251.03328	0.2
306.07693	0.3
339.05392	10.6
340.05774	0.7
355.04926	0.5
379.21976	0.2
489.56668	0.2
525.26941	0.2
735.44556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01589	0.9
69.03326	1.2
69.33401	0.4
71.01250	28.9
71.58740	0.4
72.01622	0.6
72.99182	1.3
73.02814	22.5
75.00776	0.4
79.75317	0.4
81.03327	0.4
83.01258	8.1
83.04900	0.6
84.02024	0.4
85.02814	2.9
87.00754	1.5
89.02308	9.2
95.01276	1.0
96.95878	9.4
97.02833	0.5
98.20497	0.4
99.00756	0.6
99.91081	0.3
99.92043	0.3
101.02317	27.4
102.02689	0.7
113.02322	11.3
119.03368	5.1
125.02325	1.7
126.54749	0.4
131.03369	3.6
135.04399	0.6
141.01627	1.8
143.03384	3.6
149.04451	7.8
153.01462	0.4
155.03416	1.1
161.04462	10.5
163.11261	0.6
165.12697	0.5
179.05548	0.9
203.05513	1.4
209.11758	20.6
210.12099	1.1
221.06662	3.9
227.12801	3.6
253.09297	3.6
261.13559	1.0
271.10919	0.7
285.04080	0.5
295.94449	0.4
303.14481	2.3
327.10641	0.4
343.13776	0.6
445.21033	0.6
451.19446	0.7
495.17603	0.4
681.25610	0.5
830.62598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.33585	0.8
69.03331	2.6
71.01253	29.9
72.99181	2.8
73.02823	8.6
73.92287	0.9
74.29702	0.7
81.03331	1.1
83.01255	8.5
85.02827	17.0
85.99969	1.1
87.00742	5.0
89.02322	5.6
95.01246	5.1
96.95911	1.4
97.02815	5.7
99.00771	4.4
101.02319	16.8
103.59016	0.7
111.00787	2.8
112.01559	2.5
113.02331	20.0
115.03981	0.8
119.03413	1.4
124.01579	2.4
124.14653	0.7
125.02341	12.6
129.01889	0.9
143.03410	5.8
143.10699	1.3
157.29259	0.7
159.02951	1.6
161.04500	2.5
176.95502	0.7
197.15436	1.3
229.55353	0.8
299.26068	2.3
321.04160	0.8
345.30081	8.2
346.30624	0.9
403.61478	0.8
454.88754	0.9
489.34372	8.2
507.35172	5.8
585.36859	1.5
597.36719	2.1
603.37756	1.0
615.37701	1.5
633.38464	30.6
634.38916	3.6
651.39587	62.3
652.39716	6.0
669.40680	16.8
670.41046	1.7
693.40729	17.8
694.30542	1.0
694.40521	3.4
711.41638	27.7
712.41718	4.1
753.43390	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	841.5812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.98695	0.3
67.57381	0.3
69.63681	2.1
71.01227	0.6
78.95748	0.6
82.95268	0.5
85.02816	0.3
96.95901	0.6
98.19874	0.5
99.00767	0.4
101.02335	0.4
148.18568	0.3
161.84433	0.3
165.12730	0.3
166.16846	0.3
177.12738	0.6
181.12181	0.3
183.10303	2.0
183.13828	21.1
184.14230	0.7
195.13829	29.4
196.14163	1.2
203.10352	0.3
211.13278	0.5
213.14896	100.0
214.15213	4.0
223.13074	2.4
233.11551	0.7
235.13094	3.8
237.11121	0.8
262.70975	0.3
267.12149	3.7
277.21814	2.1
279.12152	4.0
325.18546	0.9
344.21426	0.4
397.13425	0.8
409.29575	59.2
410.29861	4.8
478.53635	0.4
510.03842	0.3
632.50427	0.3
813.52826	0.3
841.58069	10.3
842.57916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
71.01266	0.1
71.07395	0.2
76.76342	0.1
78.95768	1.9
79.95604	3.1
96.95884	100.0
97.95818	0.3
107.04969	0.1
107.94309	0.1
115.89704	0.1
131.04967	0.1
133.02850	0.1
147.04567	0.1
151.03903	0.2
165.05455	0.2
175.03951	0.6
193.05006	0.3
206.99535	0.1
207.13622	0.1
223.06003	0.2
235.05989	0.1
249.00841	0.1
253.07077	0.4
303.01801	0.1
313.09341	0.3
341.03204	0.1
355.79898	0.1
508.81052	0.1
521.94226	0.1
595.89398	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
69.52605	0.1
69.52867	1.3
71.01266	0.2
79.95601	1.6
89.78148	0.2
96.95882	100.0
97.95782	0.3
98.31381	0.2
98.95467	0.2
142.30707	0.2
199.79225	0.2
338.79794	0.2
339.05426	3.4
340.05670	0.3
410.56039	0.2
473.98868	0.2
594.52582	0.2
810.17084	0.2
825.10602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01586	1.1
69.48563	2.8
71.01248	14.2
72.99169	0.6
73.02814	9.1
78.84106	0.3
83.01245	4.1
83.04899	0.4
85.02811	2.8
87.00756	0.9
89.02307	4.2
89.02732	0.4
91.73584	0.3
96.95888	6.4
99.00768	1.0
101.02316	13.0
110.50956	0.3
111.04388	2.9
113.02326	5.2
118.14603	0.4
119.03407	1.9
125.02315	0.5
126.08717	0.4
131.03377	0.8
135.04417	0.6
135.42238	0.4
143.03406	1.5
149.04466	2.3
155.03394	0.5
159.02930	0.5
161.02422	0.4
161.04460	5.1
163.07634	0.8
163.81265	0.4
173.13301	1.6
175.07643	1.0
179.05545	0.8
198.92500	0.3
203.05605	0.6
217.12294	8.5
217.14415	0.5
218.12733	0.7
221.06670	1.3
251.11180	1.5
261.11279	19.0
262.11746	1.3
268.77106	0.4
279.97586	0.4
303.12189	0.4
313.16562	1.0
322.93069	0.4
331.17670	4.5
373.18631	7.0
374.19250	0.7
385.13425	1.0
497.71140	0.3
532.27625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01563	1.2
67.00512	0.8
69.03310	2.3
71.01252	36.3
71.01634	1.4
71.02066	1.9
71.04752	0.7
71.27950	0.9
72.99177	3.1
73.02810	8.5
78.95779	1.8
79.95638	1.1
81.03321	1.2
83.01248	6.6
85.02818	20.4
85.06473	1.3
85.99972	1.2
87.00750	5.0
89.02303	9.4
95.01250	4.4
96.95881	25.6
97.02816	4.6
98.95473	1.5
99.00759	4.5
101.02320	21.4
111.00740	2.2
112.01527	1.6
113.02329	25.8
114.02657	0.9
119.03409	2.6
119.54581	0.8
123.00700	0.9
124.01530	3.4
125.02338	11.2
135.04384	0.9
142.02568	0.9
143.03377	6.4
161.04462	4.4
197.15508	1.3
299.25955	2.5
345.30099	7.1
346.30557	1.5
489.34210	9.2
507.35229	6.6
577.35565	1.1
585.36487	1.0
597.36102	2.0
615.37518	2.0
633.38550	35.4
634.38647	5.7
651.39502	62.5
652.39948	11.0
669.40552	15.0
670.40967	3.3
693.40613	19.3
694.40826	3.9
711.41663	29.7
712.41351	5.4
753.42963	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	839.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	1.1
66.62225	0.7
71.01250	11.9
71.57468	1.0
73.02817	4.9
83.01273	2.9
85.02818	7.2
87.00737	0.7
89.02312	5.8
90.36392	0.8
96.95879	0.8
97.02840	0.9
99.00745	4.6
101.02329	12.2
113.02325	4.7
116.30477	0.7
125.02320	1.6
131.03381	1.1
149.04501	2.2
152.08354	1.0
153.09088	1.1
161.04489	4.1
161.98869	0.8
163.54440	0.8
205.12340	2.2
235.11801	18.7
238.45633	0.7
277.12952	9.7
293.08942	1.0
444.83423	0.7
517.22913	14.7
518.23236	2.4
535.59094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
66.18550	1.9
69.03333	2.2
69.15079	1.9
69.25888	22.0
69.56895	2.0
71.01254	39.4
72.99162	4.1
73.02806	11.8
83.01251	7.8
85.02812	19.0
87.00742	7.0
87.28756	2.1
89.02326	16.6
93.03320	3.1
95.01277	4.8
96.95341	1.9
96.95892	10.6
97.02832	6.9
98.19804	3.0
99.00784	4.5
101.02319	27.8
111.00776	3.7
112.98656	3.3
113.02323	29.6
116.92762	3.6
119.03378	4.5
124.01467	3.2
125.02312	16.1
135.04404	2.0
141.01663	2.2
143.03374	6.7
143.10696	5.5
151.03851	3.2
155.99274	1.9
161.04489	2.4
165.05457	3.5
180.82755	1.8
181.87190	1.9
192.41306	2.0
195.06511	2.2
313.78983	2.3
343.28595	3.5
398.66141	2.0
469.31439	2.2
487.32715	13.5
505.33835	7.1
631.36993	34.5
632.37213	6.0
634.09528	2.2
649.38110	78.7
650.38092	7.4
667.38873	24.0
691.39117	18.0
709.40295	31.5
710.40369	2.7
751.41321	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	839.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98671	2.2
69.03329	4.1
71.01253	66.1
71.29605	3.9
72.99188	3.0
73.02819	22.2
83.01256	9.6
83.04900	2.3
84.02013	2.0
85.02824	26.2
87.00771	7.3
89.01849	2.4
89.02319	16.2
95.01292	5.8
96.95890	11.2
97.02832	2.8
99.00754	6.1
101.02323	36.9
105.41698	2.1
110.98138	1.8
111.00832	1.8
113.02329	35.1
113.05994	3.7
119.03384	7.5
125.02342	8.3
143.03407	7.7
149.87315	1.8
159.02959	2.7
161.04500	8.2
165.12715	1.9
177.01851	2.7
179.05551	2.5
232.95406	2.3
237.11450	2.0
241.21790	2.8
256.59683	2.1
310.75995	2.2
403.26910	2.1
469.31934	2.6
487.32602	6.5
505.33951	4.1
613.35840	2.6
631.36932	35.2
632.37476	4.9
649.38055	55.1
650.38617	7.1
667.39063	14.7
691.38995	19.4
692.39362	4.1
709.40112	29.8
710.40570	3.3
751.40283	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	837.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	2.5
59.01247	53.9
61.98708	2.4
69.03333	2.1
71.01250	53.0
71.22932	1.2
71.58996	2.4
72.99171	3.6
73.02810	9.3
73.06685	1.3
80.96387	2.6
81.03344	2.0
83.00810	1.6
83.01230	8.9
85.02818	10.7
87.00742	17.3
89.02311	39.6
94.99564	1.2
95.01274	4.4
96.95874	2.4
97.02822	5.6
99.00753	2.4
101.02316	43.2
102.02646	1.4
107.69079	1.6
109.02779	1.4
111.00764	1.7
113.02325	26.1
119.03429	7.0
120.89207	1.6
125.02332	17.2
131.03365	6.9
143.03429	8.4
159.71841	1.3
161.04440	16.1
179.05559	11.9
203.05510	2.0
205.24628	1.5
221.06612	3.4
235.08226	8.0
253.09204	12.3
263.07574	2.0
272.73526	1.3
277.21707	28.9
278.22058	1.6
283.30551	1.5
323.09930	2.9
379.12622	2.9
381.47803	1.4
383.11835	2.0
388.27313	1.4
397.08310	3.3
397.13449	55.7
398.13678	2.4
415.14569	22.2
485.15021	2.4
541.18103	1.8
559.18738	100.0
560.18988	6.7
577.19794	36.9
578.19983	2.9
589.93469	1.6
680.68195	1.7
837.41718	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	837.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38793	0.7
59.01233	0.7
60.35294	0.8
63.96086	1.9
70.01191	3.9
71.01261	9.0
72.49577	0.8
73.02805	1.9
78.98467	6.6
79.95610	13.5
80.96392	89.8
81.03349	0.7
85.02827	4.5
87.00729	3.6
94.97961	18.1
96.95871	1.8
97.02830	1.2
101.02301	3.1
106.97961	3.4
122.97437	3.2
125.02309	2.4
126.57507	0.7
127.03915	0.9
132.21011	0.8
134.97488	7.0
136.99016	1.8
148.99036	7.2
152.98557	7.0
158.02237	0.7
164.98560	12.9
180.01984	0.8
206.99590	2.3
210.72630	0.8
225.00685	16.0
258.54095	0.8
277.21805	1.8
400.08627	0.7
559.25677	2.6
577.26410	0.8
711.08936	1.0
837.48273	100.0
838.48560	16.5
860.97003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57548	1.3
70.09139	1.6
70.09411	6.4
71.01247	7.5
71.41003	1.4
78.98473	6.6
79.95600	16.7
80.96387	96.0
81.03339	1.5
85.02840	2.1
87.00749	2.6
88.72958	1.3
89.25608	1.3
90.43668	1.7
94.97953	18.0
98.20471	1.6
101.02303	2.7
106.97946	3.8
122.97462	2.5
125.02332	2.3
134.97461	5.7
136.99026	1.9
148.99017	7.6
152.98541	5.9
164.98534	12.8
198.16899	1.3
206.99551	1.4
214.13374	1.3
225.00705	16.3
277.21707	2.2
559.25702	3.1
756.09338	1.4
804.37872	1.5
837.48230	100.0
838.48346	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	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57937	39.9
80.96384	84.1
94.97974	26.9
111.99763	30.6
121.59801	21.4
133.79810	23.4
135.98978	23.0
239.89081	30.1
286.19342	30.2
307.58893	30.7
494.37277	26.3
561.25439	25.2
770.64099	32.9
780.42169	38.8
837.48132	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	839.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
69.55499	1.7
69.55905	5.3
71.01237	2.9
83.04906	1.3
85.02819	2.3
87.92397	3.2
91.16766	0.9
93.03302	1.2
96.95904	2.0
97.02821	3.3
99.00776	1.6
103.91919	8.9
104.92688	3.9
111.04381	4.0
113.02298	0.9
117.06973	1.8
119.04922	2.7
121.06440	1.5
123.94535	3.0
133.02838	1.2
140.38676	1.0
148.05171	1.3
150.03142	1.4
163.07549	6.0
165.01837	3.1
165.05447	1.5
169.10208	1.5
171.11688	3.3
173.13271	10.6
175.03911	1.2
175.07544	1.1
180.04182	1.9
195.06477	1.1
199.11194	1.1
215.10883	1.1
216.99263	1.0
217.12300	17.3
219.01237	1.1
224.37296	1.0
225.07626	1.9
256.01831	1.1
257.02734	1.5
261.11270	4.4
268.01981	2.2
270.03568	1.2
273.05713	1.5
312.71930	1.1
317.04938	1.8
534.16827	3.0
578.15948	6.4
707.30408	2.2
751.29681	2.3
795.28278	17.9
796.29126	2.0
839.27356	100.0
839.40100	3.6
840.27386	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	835.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	1.5
59.01249	31.0
62.67616	1.1
71.01250	22.2
72.99165	2.9
73.02800	2.8
78.95770	1.2
80.04929	1.2
85.02825	5.4
87.00719	2.2
88.70421	1.0
89.02306	16.2
95.01225	1.5
96.50149	1.2
96.95872	9.4
97.69357	1.1
99.00719	1.4
101.02314	13.1
106.06493	7.0
113.02327	8.7
119.03381	4.6
120.04401	1.4
122.06001	8.1
125.02341	1.8
130.06525	1.9
132.04395	1.5
134.06004	28.3
146.08109	3.9
152.07091	6.8
160.06377	1.5
161.04456	2.3
165.01790	1.8
180.06561	1.4
188.07097	3.8
195.06487	2.6
209.11815	16.7
209.13828	1.9
210.12059	1.2
211.08797	1.2
213.10236	4.6
217.11911	1.9
225.07666	2.1
225.10147	2.9
227.12910	2.1
233.08151	1.5
237.10307	1.9
239.11792	8.1
241.13467	4.1
249.10297	4.1
250.07190	1.6
251.08139	3.8
251.11865	3.0
252.08870	2.6
253.09724	4.5
263.08224	4.8
264.09064	2.2
265.09729	5.4
267.11365	6.0
277.06787	1.9
277.09760	7.4
277.12421	2.4
278.06851	2.6
278.10587	4.9
279.07681	6.2
279.11325	7.9
285.12402	9.3
291.11325	1.4
292.08536	3.1
293.09335	11.6
294.10059	3.9
295.10803	8.0
305.09143	2.6
307.10565	6.2
321.08636	5.1
337.08282	3.5
337.12079	1.8
339.09787	5.3
340.14655	1.9
351.09906	4.0
358.15540	3.7
368.10248	1.6
370.11523	1.9
371.16324	1.5
382.15543	1.5
384.13361	2.0
397.13501	4.1
398.14999	2.4
400.16580	7.6
411.15854	2.9
412.16708	3.3
415.14664	2.3
440.78860	1.3
458.17270	1.7
468.15506	2.0
486.16943	2.7
604.22546	1.8
605.24371	1.3
620.23462	2.2
629.03436	1.4
638.23553	5.3
648.21503	3.5
649.22565	3.7
666.23047	31.9
667.23663	3.7
673.27631	2.0
680.24335	3.8
712.27252	11.7
713.27118	1.9
727.29834	7.9
759.32196	2.3
771.28839	57.7
772.29095	12.7
803.31378	100.0
804.31750	22.8
835.33685	17.7
836.34375	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	835.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.85752	1.3
65.75609	1.7
67.58472	1.7
101.05953	19.5
103.01292	1.8
115.07522	4.8
116.92767	2.0
123.50335	1.5
153.39536	1.9
277.21698	5.3
279.23233	5.1
289.19321	1.6
406.02945	1.7
509.22449	3.3
593.28748	2.4
867.41724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90775	1.7
59.01243	21.4
60.44108	1.8
60.56094	1.8
63.06512	1.5
68.99686	5.6
69.03288	1.9
71.01255	28.5
73.02824	4.2
75.00735	7.9
83.01250	2.6
85.02821	22.9
87.00765	3.1
89.02305	9.0
95.01266	8.5
96.95879	26.3
97.02809	6.4
98.95435	3.0
99.00750	23.5
101.02309	13.4
110.53076	1.8
113.02325	19.7
119.03397	2.3
125.02318	2.3
131.12703	1.8
133.02783	1.9
136.01559	3.4
138.03128	5.4
144.02879	1.9
151.03836	2.9
153.05466	6.1
165.01863	4.4
168.04181	5.7
168.05927	1.7
176.01079	3.5
177.01837	4.6
178.02689	1.9
179.03369	1.7
180.04160	4.4
181.04884	2.1
191.03436	3.7
191.05511	2.9
192.04205	4.3
193.01372	3.6
193.04872	3.5
195.06570	3.3
207.06554	6.9
208.03729	4.8
223.06085	10.1
225.07600	1.9
229.59845	2.2
255.02852	2.4
283.02460	3.4
284.03180	2.7
285.03952	6.2
373.13229	2.2
407.29364	1.8
449.14432	4.6
455.31531	3.8
613.33942	3.0
837.39185	100.0
838.39697	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	835.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.3
59.01242	6.7
60.99173	12.0
69.62685	7.5
71.01244	4.1
72.99186	8.2
85.02821	2.5
88.24110	0.9
88.98669	57.3
89.99016	4.0
90.99098	5.0
91.00246	2.4
93.03313	2.3
96.95899	11.6
101.02295	2.0
106.04129	9.3
107.04921	14.5
108.02051	4.8
113.02317	3.8
119.04901	4.2
121.02845	3.0
123.04387	8.4
125.02400	1.3
127.05010	2.8
128.03438	1.2
131.04932	2.2
132.02072	1.9
133.02846	26.2
134.03215	1.4
135.04434	1.5
137.06038	1.8
145.02815	1.7
147.04408	9.1
149.06006	1.4
151.03906	36.6
152.04259	1.4
161.04529	2.1
161.05988	5.3
164.07100	1.7
165.01762	1.4
165.05467	31.8
165.06839	1.8
166.05829	1.6
167.03439	1.4
175.03911	100.0
176.04266	3.6
193.04984	42.2
194.05367	1.4
195.02899	1.1
205.04959	11.4
208.06065	3.0
209.04460	2.6
215.62074	1.0
223.06039	32.6
224.06264	2.3
233.81738	1.1
235.06151	5.3
253.07141	53.0
254.07495	2.6
295.08224	2.4
313.09241	23.2
411.22446	1.6
577.75031	1.1
834.38861	1.4
835.39514	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	835.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.8
59.14550	1.3
60.26784	1.4
61.98693	1.8
71.01251	3.0
71.58286	2.1
74.25578	1.2
85.02823	2.1
87.00735	6.3
88.41343	1.4
89.02333	3.2
96.95882	5.1
101.02309	2.7
112.98595	1.7
124.07476	1.7
124.36703	1.2
132.04445	2.5
136.07562	2.9
200.09383	2.9
208.92322	1.3
209.11720	2.7
211.08696	4.2
214.11032	2.5
215.11839	17.1
224.09494	10.5
227.11760	7.2
229.13370	8.6
237.06627	3.2
237.10387	3.7
239.08221	9.3
239.11842	14.3
241.09723	2.0
243.11224	2.0
247.08694	2.4
249.10393	4.7
251.08252	3.1
252.09000	13.8
255.11261	2.4
256.12106	2.3
257.12927	36.1
265.06207	1.7
265.09796	12.3
266.08206	3.9
267.11359	36.3
268.11633	2.0
275.08279	7.1
277.06009	2.1
277.09836	8.8
278.07986	6.4
279.07681	17.0
280.08383	4.8
281.05768	5.9
291.07745	5.9
293.09348	42.9
295.10873	48.1
296.11136	3.5
307.07010	1.7
309.05035	2.0
310.05807	3.2
311.10364	11.2
321.08731	5.7
337.08023	1.9
339.38147	1.7
353.11435	1.7
388.98477	1.4
426.14386	3.1
454.13937	2.7
492.82129	1.5
537.21600	15.2
538.22119	1.6
579.22772	3.5
613.23584	3.0
741.27765	32.8
742.27887	4.0
759.28772	100.0
760.28839	15.5
775.28088	6.0
803.27448	14.5
817.29004	2.2
835.30133	23.5
836.30872	4.1
859.95660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	9.1
70.60325	6.5
78.95776	54.3
86.31724	2.7
96.96809	11.7
101.30254	2.3
102.90297	2.3
139.73676	2.8
152.99529	14.8
192.95741	13.0
217.00227	8.4
223.00056	6.9
241.01166	28.6
253.21828	3.1
255.23254	41.1
259.02078	4.1
277.21732	26.2
278.21976	3.4
279.23236	5.0
329.03638	2.4
350.94595	4.7
374.99557	3.7
391.22388	10.2
553.27875	9.4
831.50305	100.0
831.66241	6.0
832.50122	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	833.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.99179	18.7
61.90970	0.1
71.01254	0.4
71.07020	0.2
71.07331	0.3
72.99180	0.2
73.50184	0.2
79.95654	0.2
88.98679	100.0
89.99007	0.9
93.03340	0.2
96.95889	1.7
106.04122	0.3
107.04913	0.4
108.02032	0.3
119.04910	0.3
121.02841	0.4
122.89314	0.3
123.04393	0.7
125.02408	0.2
133.02846	1.1
135.04399	0.2
139.03941	0.3
147.04445	0.4
148.90927	0.2
151.03915	1.3
153.16171	0.2
161.05925	0.4
165.01761	0.2
165.05501	1.1
175.03925	3.8
176.04276	0.6
178.77942	0.2
191.05463	0.2
193.05005	1.2
194.05411	0.3
205.04990	0.5
209.04430	0.3
219.06322	0.2
223.06128	1.3
253.07161	2.4
254.07529	0.5
313.09335	1.0
550.20685	0.2
560.36035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.3
59.05970	0.9
59.25101	1.1
59.92395	0.9
62.58915	0.9
63.80157	1.0
71.01241	5.6
71.58699	2.0
73.02798	1.6
83.01249	1.4
85.02839	3.0
87.00729	2.4
89.02324	3.3
96.95869	7.4
98.95487	1.0
99.04366	1.4
101.02309	4.7
112.98681	2.7
113.02277	2.2
119.03432	1.2
125.02237	1.0
135.04424	1.4
135.08002	1.5
136.05142	1.1
137.09625	1.6
149.05966	8.7
150.06764	61.2
151.07425	1.6
154.86453	1.0
162.06773	1.9
163.07545	19.7
163.11165	1.0
164.08315	8.2
171.10158	1.2
176.08319	2.2
177.09064	2.1
178.09949	6.2
179.10681	16.1
197.12093	1.1
205.71646	1.0
209.11697	2.9
212.45767	1.0
225.11305	1.5
241.00824	1.0
254.28476	1.0
277.24908	1.0
283.22656	1.3
285.20673	1.2
315.13345	1.1
327.25366	3.2
329.23358	7.6
430.31012	2.3
445.33173	1.4
448.31912	10.7
449.31567	1.2
462.33231	3.3
463.34293	12.7
490.32877	3.8
491.33441	5.0
502.49649	1.2
508.33917	6.8
509.34778	34.0
510.35031	4.1
833.45343	100.0
834.45740	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	827.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.4
59.01247	29.6
67.01757	0.8
68.99679	2.1
69.46208	1.5
69.46630	2.1
71.01247	29.6
72.99172	3.3
73.02812	2.2
75.00742	18.2
78.86918	0.5
79.95611	0.5
83.01250	2.2
83.04892	1.3
85.02814	19.9
85.99946	0.7
87.00751	4.5
87.04377	1.1
88.25575	0.4
89.02316	13.5
95.01248	6.0
96.95876	6.4
97.02817	0.6
98.19839	0.9
99.00748	17.4
101.02319	13.1
111.00738	0.5
112.01527	1.2
113.02327	13.3
115.00270	0.6
119.03380	2.9
120.85693	0.5
133.02898	0.7
139.00250	1.4
157.01308	1.6
161.04433	1.4
204.63493	0.4
285.04068	2.8
337.24802	0.6
393.04767	0.5
409.31042	1.3
441.33768	0.6
489.35898	0.8
775.60217	0.6
827.44275	100.0
828.44562	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	831.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01043	0.8
59.01253	8.7
71.01250	7.1
73.02808	2.4
78.37844	0.9
78.95777	1.4
82.46057	0.8
83.01228	0.9
85.02822	2.5
87.00767	2.9
89.02296	2.6
91.87350	0.8
93.36419	0.8
96.66604	0.8
96.95897	8.3
98.20590	1.2
99.04367	2.1
101.02306	4.1
111.00831	0.8
112.98692	3.9
113.02320	1.9
119.03392	1.2
134.03610	1.2
135.04445	0.9
135.08052	1.7
136.22896	1.0
137.05946	0.9
140.40071	0.9
148.05228	0.7
149.00784	1.6
149.05980	9.5
149.19897	0.9
150.06767	70.9
150.37933	0.8
151.07123	2.5
151.11151	1.0
152.67276	0.8
155.43318	0.8
157.08530	1.7
161.04471	1.3
161.09612	1.1
162.06636	1.0
163.06223	1.5
163.07541	20.3
164.08365	10.6
166.36661	0.9
169.12227	1.0
171.10226	1.3
174.03204	0.7
176.08319	3.0
177.09096	1.2
178.09912	5.6
179.10681	18.6
198.53703	0.8
279.23282	2.0
281.21259	2.2
283.19025	1.4
325.23898	2.6
327.21820	6.7
428.29089	0.9
444.32651	1.5
445.32980	1.6
446.30334	15.0
447.30612	1.5
460.31665	4.1
461.32700	13.2
462.33191	2.0
488.31238	4.3
489.32047	4.1
506.32626	6.8
507.33194	32.2
508.33798	4.5
549.93018	0.9
572.81677	0.9
831.43805	100.0
832.44177	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	827.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.9
69.03308	1.4
69.65920	5.5
71.01247	7.3
71.04874	1.0
72.99158	0.8
77.89509	0.8
83.04893	1.0
85.02818	1.2
89.02319	5.0
91.06626	0.7
93.06965	1.0
96.95885	1.4
98.20494	1.7
98.55235	0.9
101.02309	3.2
108.63686	0.7
109.06472	1.0
113.02347	2.4
119.03407	1.4
121.10094	3.4
125.05982	1.2
127.05619	0.9
137.05899	1.3
147.08130	1.1
161.04517	1.0
173.13240	2.6
175.11252	4.3
179.05447	1.0
191.14325	8.6
192.14584	1.1
217.12241	7.6
235.13356	35.5
236.13606	2.7
240.43950	0.9
259.13272	0.9
260.02805	0.8
261.11331	3.5
279.12354	100.0
280.12579	6.0
321.13397	2.0
425.16284	0.8
441.17633	70.8
442.17874	7.7
513.55249	1.0
540.12909	0.9
647.45697	0.8
689.07678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.91478	1.3
63.62201	1.4
69.48032	9.6
71.00894	1.7
71.01256	25.7
73.02808	14.3
73.96246	1.4
83.01250	5.1
85.02827	8.4
89.02314	4.9
96.95888	28.9
97.02821	3.8
98.20511	2.1
99.00740	2.3
101.02325	14.6
105.06985	1.9
108.86139	1.4
109.06497	2.3
110.89780	1.5
113.02328	10.2
113.05907	1.7
123.08046	2.3
125.05982	2.3
135.08023	1.6
136.05202	2.4
137.02301	5.6
138.06750	15.6
139.07535	3.5
151.00256	7.3
151.07545	15.4
152.04677	2.5
152.08325	25.3
153.09111	85.8
154.09465	2.0
161.04446	4.0
165.09174	2.7
166.02643	22.9
175.03882	2.1
177.01749	1.3
179.05527	2.2
181.04988	36.5
182.05424	1.7
190.09839	1.3
203.05550	4.0
205.12274	28.0
223.11330	2.5
223.13350	29.6
233.66872	2.0
310.26187	1.4
367.17578	27.2
368.17932	2.9
385.18747	8.0
387.10822	6.9
402.12985	4.9
410.56036	1.7
417.15536	56.6
418.15976	2.8
427.19702	43.9
428.19952	4.0
454.51657	1.5
498.79477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.267
Annotation	Verbascose
Peak:m/z	Relative Intensity
58.00462	4.1
59.01246	73.1
68.76365	2.4
70.92709	6.3
71.01250	95.2
72.99173	8.9
73.02803	6.7
75.00777	2.5
83.01249	5.8
85.02813	23.9
87.00751	7.7
89.02314	100.0
90.02610	2.6
95.01258	6.6
97.02839	4.5
98.36667	2.4
99.00726	3.1
101.02319	60.1
111.00745	7.4
113.02324	62.7
115.03905	2.7
119.03374	9.1
125.02304	4.2
129.01828	2.6
143.03407	12.7
149.04471	3.8
152.45819	2.3
161.04456	12.0
179.05536	64.2
186.12840	2.8
203.05342	2.5
323.09753	5.7
341.10889	9.1
399.01129	2.8
417.67221	2.8
485.15021	9.3
503.16147	6.6
647.20178	18.3
803.31287	3.4
827.26672	51.9
828.26941	9.0
828.62494	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	825.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.1
58.07078	0.4
59.01254	20.9
61.98703	0.5
66.10316	0.4
67.01741	0.5
67.49559	0.4
68.99696	2.7
69.03309	0.5
70.77954	0.4
71.01257	23.3
72.98589	0.4
72.99171	1.5
73.02812	1.5
75.00750	10.1
78.59690	0.4
78.95764	1.6
79.95618	1.0
83.01259	1.8
83.04926	0.4
85.02825	16.2
85.99980	0.5
86.79379	0.4
87.00739	3.2
89.02317	8.8
95.01260	5.1
96.95892	39.3
96.96871	1.8
97.02818	0.6
98.19780	1.3
99.00755	18.1
101.02328	9.6
112.01533	0.8
113.02331	11.2
115.00253	0.7
119.03384	2.1
131.03409	0.8
139.00261	1.5
140.30052	0.4
149.92101	0.4
149.93346	0.5
150.38043	0.4
157.01343	1.4
161.04494	0.4
229.68587	0.5
439.32288	2.8
469.33197	1.3
485.32965	1.7
487.34192	5.3
488.34543	0.6
529.35492	0.5
569.34912	1.9
601.37628	3.5
619.38733	0.9
645.36359	5.0
646.37036	0.7
763.42853	0.9
764.44006	0.6
825.42822	100.0
826.43073	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	825.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.4
59.01250	26.6
61.42287	0.4
68.99677	1.8
69.03309	0.7
69.45989	3.0
71.01252	28.7
72.99173	2.8
73.02817	2.4
75.00745	17.8
83.01253	3.0
85.02822	18.8
85.99966	0.6
87.00738	4.3
87.04371	1.4
89.02313	11.9
95.01261	6.4
96.95893	3.7
97.02816	0.9
98.19839	1.0
99.00751	18.4
99.04376	1.2
101.02321	12.8
112.01527	1.3
113.02330	14.2
115.00245	0.8
119.03391	2.8
123.26307	0.5
131.03366	0.8
135.04346	0.5
139.00226	1.6
157.01303	2.0
161.04417	1.0
189.10823	0.4
261.26669	0.4
285.08179	0.5
327.21631	0.8
349.19824	0.6
379.29974	1.3
409.30954	2.4
457.32535	0.5
479.92490	0.5
488.79736	0.5
645.36768	0.8
647.37994	0.5
647.48724	0.5
668.18054	0.6
825.42773	100.0
826.43024	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	825.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.1
59.01254	22.4
67.01752	0.7
68.99676	2.5
69.03313	1.2
69.29433	5.8
71.01257	28.4
72.99178	3.1
73.02814	3.3
75.00748	15.3
79.95609	0.8
83.01244	3.4
85.02827	20.3
87.00741	4.5
89.02319	11.8
93.03332	1.1
95.01259	6.9
96.95894	12.7
97.02838	0.7
99.00757	16.7
101.02325	13.9
104.13295	0.6
111.00767	0.9
112.01554	0.7
113.02338	14.7
113.19163	0.5
115.00247	0.8
119.03396	3.0
119.04862	0.6
125.02367	0.6
131.03415	0.8
133.02870	1.0
134.62332	0.6
135.04390	0.7
139.00290	1.7
143.03345	0.7
150.03131	0.6
151.03897	1.0
157.01323	2.9
161.02242	0.6
161.04451	0.9
165.05429	1.2
173.04457	0.8
175.03798	0.7
177.05473	0.7
181.05067	0.6
191.05519	0.9
207.06531	1.0
409.30948	1.5
425.84775	0.5
449.14462	0.7
457.33255	0.9
533.28900	0.7
627.41907	0.7
688.49658	0.6
825.42822	100.0
826.43109	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	824.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.5
60.01582	1.1
61.01663	0.7
61.98699	100.0
63.79372	0.4
70.90469	1.4
71.60474	0.5
79.93772	0.4
101.05974	1.9
164.36905	0.4
170.00714	0.5
243.93341	0.4
278.21927	0.6
425.12042	0.5
451.29572	0.5
452.83987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.8
59.01248	100.0
60.01574	0.6
61.98726	0.6
68.99682	0.8
69.03334	2.3
71.01250	32.0
72.99184	1.8
73.02818	8.2
75.00750	0.9
81.03327	1.4
82.46550	0.4
83.01252	6.7
84.96397	0.4
85.02818	19.3
85.99966	1.2
86.03188	0.5
87.00745	3.4
89.02317	6.2
95.01254	5.0
96.95881	1.8
97.02811	4.2
99.00751	3.7
101.02316	15.6
102.61393	0.5
107.04887	0.6
109.02867	0.6
111.00755	1.7
112.01559	2.0
112.98703	0.5
113.02323	21.7
114.02649	0.6
115.03907	0.5
119.03393	2.3
124.01556	4.4
125.02342	12.1
127.11175	1.0
129.01814	0.8
141.00401	0.5
142.02583	0.7
143.03395	6.2
153.05316	0.6
159.02902	1.9
161.04454	4.1
175.03906	1.0
193.04901	0.6
219.35851	0.4
253.07100	0.5
267.23398	0.7
283.26477	2.4
329.30566	3.2
473.34702	7.9
474.35483	0.9
491.35873	4.9
533.36304	0.5
543.35480	0.7
569.36230	0.7
581.36761	2.4
599.38245	2.4
617.39026	30.9
618.39178	3.4
635.40088	62.9
636.40350	9.0
653.30023	0.6
653.41187	19.4
654.41357	2.6
677.41174	14.4
678.41492	2.0
695.42261	22.1
696.42120	3.2
737.43048	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
59.01245	7.2
59.03986	0.3
69.03328	1.1
70.34384	0.7
71.01247	7.9
71.04893	0.2
72.99168	0.6
73.02814	2.2
80.96386	0.6
81.03314	0.3
83.01243	1.8
83.04891	0.7
84.02019	0.8
85.02818	10.7
85.06445	0.6
87.00751	2.4
87.04391	0.4
89.02316	5.1
89.09232	0.2
91.03854	0.4
93.03308	0.4
95.01247	0.8
95.04900	0.4
96.95882	0.6
97.02815	2.1
97.06462	1.8
99.00735	0.8
99.04369	0.4
101.02319	6.4
111.00828	0.3
111.04392	0.3
113.02321	3.8
115.03896	0.3
116.79035	0.2
119.03388	1.7
125.02319	0.5
125.06008	0.4
125.09615	0.7
127.02028	0.3
127.11163	0.7
129.01845	0.3
133.04965	1.1
137.09598	1.5
143.03351	1.0
145.04970	1.5
157.04958	0.6
161.04454	3.4
169.04889	0.2
171.10172	14.9
172.10504	0.5
177.12740	0.4
179.05508	0.9
181.12329	0.4
183.13821	7.8
184.14275	0.5
185.11737	0.3
195.13818	0.7
197.11716	0.3
201.11284	0.7
209.11818	0.6
211.13348	5.5
221.11742	0.7
223.17007	0.8
229.12560	0.3
229.14433	2.9
233.15421	0.3
235.08191	16.2
236.08502	0.7
239.12827	0.4
245.96696	0.3
251.16479	1.8
253.09254	23.2
254.09770	1.1
259.20654	0.3
269.17563	0.6
275.20145	0.7
277.21704	100.0
278.22064	7.9
291.19620	3.5
293.21326	0.4
309.20691	10.0
310.21091	0.7
327.21744	65.4
328.22086	4.8
513.30725	0.5
545.29883	1.6
563.23041	0.3
563.30670	1.3
587.43243	1.3
588.43213	0.3
659.36560	0.3
737.43823	0.2
823.42279	0.4
825.27313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.2
58.59488	0.2
59.01251	17.7
61.98663	0.3
64.49097	0.2
67.01757	0.6
68.99689	2.4
69.03323	0.2
71.01254	22.8
71.19147	0.5
71.85248	0.2
72.01591	0.2
72.99179	2.3
73.02818	2.2
75.00748	7.0
81.34921	0.2
83.01262	2.9
83.04894	0.9
84.02046	0.5
85.02823	15.7
85.99970	0.6
86.03165	0.4
87.00749	3.1
89.02317	7.6
93.03351	0.2
95.01262	5.6
96.95872	1.0
97.02818	0.3
99.00757	23.1
100.01072	0.3
101.02318	6.6
104.14344	0.2
111.00721	0.3
112.01529	0.8
113.02331	11.1
114.02665	0.6
115.00262	0.8
119.03377	1.8
119.04839	0.3
120.70948	0.2
123.08041	0.7
131.03409	0.2
139.00288	1.3
145.02805	0.2
147.21507	0.2
157.01320	1.6
161.04446	0.4
163.03720	0.2
170.38495	0.2
172.77591	0.2
191.05585	0.3
211.13510	0.3
246.50449	0.2
314.98465	0.3
337.25345	0.4
361.25476	0.3
377.28436	0.7
391.29831	0.5
393.31741	0.6
425.30481	0.5
437.30563	2.5
441.33725	0.6
464.48514	0.2
467.31348	1.3
483.30957	0.7
485.32687	3.8
486.32861	0.4
493.40320	0.2
527.34045	0.4
539.34033	0.3
555.37213	0.3
567.33386	1.9
568.33917	0.3
578.64972	0.3
599.35858	3.3
600.35852	0.5
617.36768	1.1
643.34943	4.7
644.35010	1.0
761.41467	0.9
791.05249	0.2
823.41241	100.0
824.41559	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	823.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	0.9
59.01249	100.0
60.01593	0.9
61.98697	1.0
69.03320	2.5
70.95172	2.7
71.01253	48.9
72.01588	0.9
72.99166	2.6
73.02818	10.8
81.03332	1.1
83.01257	8.0
85.02824	22.8
86.00019	1.1
87.00761	5.8
87.87295	1.0
89.02319	14.7
92.47315	0.9
95.01264	5.2
96.95869	4.0
97.02829	5.6
99.00743	3.3
101.02321	25.9
111.00739	3.0
112.01527	2.3
113.02332	27.4
119.03386	4.0
124.01556	2.9
125.02357	12.4
127.11077	1.0
129.01791	1.6
137.02390	1.3
139.03972	1.2
143.03418	5.8
143.31857	1.0
156.55119	1.0
159.02945	1.1
161.04472	3.5
200.13081	0.9
209.46587	0.9
213.14886	1.5
229.14482	1.1
247.76711	1.0
297.28177	1.0
471.33243	10.4
489.34485	5.6
615.37433	31.1
615.47504	1.6
616.37585	3.7
633.38580	63.5
634.39081	6.7
651.39600	22.1
652.39575	2.3
675.39630	12.0
693.40729	25.0
694.40277	2.2
735.41760	1.7
823.42383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.3
63.77595	0.7
68.99696	1.7
71.01257	15.9
71.06785	1.1
71.07130	1.0
72.99180	1.0
73.02814	1.5
75.00742	8.3
83.01262	1.8
85.02821	11.4
87.00732	2.3
89.02309	6.5
91.38438	0.6
93.03349	2.3
95.01268	3.1
96.95886	2.4
99.00753	10.8
101.02303	6.5
109.56063	0.6
113.02331	9.6
117.03345	9.4
119.04919	100.0
120.05260	9.6
121.05503	0.7
127.87518	0.6
134.85207	0.6
139.00313	0.8
145.02861	57.4
146.03177	7.1
151.81430	0.6
157.01347	0.8
159.08095	2.2
168.40616	0.7
174.05464	1.2
202.08647	1.6
313.19302	0.9
353.18607	2.1
356.19846	2.6
392.75290	0.7
399.20340	8.1
400.20834	1.7
459.23087	2.1
479.98322	0.7
502.23795	3.8
503.23694	1.0
519.26459	1.6
541.91888	0.7
545.24097	7.5
546.24463	2.8
553.60425	0.7
639.31573	1.6
665.29840	13.0
666.30048	4.5
667.30609	4.0
704.30328	0.8
785.35596	40.4
786.35809	12.2
787.36169	19.0
788.21143	0.7
788.36682	2.3
823.41608	49.3
824.41772	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	823.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.48864	2.0
61.98697	4.2
69.03340	3.0
70.94160	5.1
71.01250	47.3
73.02811	9.7
75.93355	2.0
75.94207	2.1
83.01255	8.1
85.02816	23.1
86.00024	2.1
87.00768	3.9
88.98661	7.6
89.02309	9.0
91.83826	2.2
95.01253	4.2
96.95867	7.0
97.02814	4.7
98.20377	2.8
99.00735	8.6
101.02327	24.9
113.02317	27.7
121.04073	2.3
124.01542	5.5
125.02310	10.8
139.93248	2.0
141.01680	3.1
143.03383	7.2
143.82559	2.2
157.26181	2.2
159.02885	2.3
161.04477	12.4
195.30063	2.3
205.82240	2.1
242.05750	2.3
407.51120	2.2
471.33072	15.8
489.34186	6.8
557.36823	2.8
615.37482	35.0
616.37897	3.5
633.38501	73.8
634.38501	8.3
651.39764	22.4
652.39496	2.5
675.39734	13.5
693.40741	23.8
694.40912	3.2
735.41791	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	823.3008
Annotation	A 21459B
Peak:m/z	Relative Intensity
59.01235	2.4
65.03825	0.6
69.03298	0.5
70.57516	1.1
70.57874	0.6
71.01237	1.5
79.05428	0.7
81.03291	0.6
83.04883	1.4
89.02324	0.8
90.96972	0.8
91.05399	0.6
95.04852	0.5
96.95876	2.2
97.02831	1.8
101.02280	0.5
105.06969	1.7
111.04384	1.4
117.03332	0.8
117.06982	0.9
119.04903	6.8
119.08558	2.2
120.05247	0.5
121.06457	0.8
123.04431	0.5
133.06467	2.6
135.08020	1.2
143.08524	0.6
144.98077	0.7
145.02846	4.0
145.10135	1.0
147.08058	0.5
148.05185	0.9
149.05989	0.8
157.10103	0.6
159.08075	0.7
163.07553	6.7
167.08542	0.8
169.10121	1.6
170.99657	0.7
171.11673	2.1
173.13257	7.1
174.13818	0.5
189.09099	0.4
197.09673	0.8
199.11218	1.3
205.01657	0.6
217.12270	9.4
218.12531	0.6
219.03313	0.7
221.05005	0.6
235.02824	0.7
259.06491	0.6
261.11252	3.5
269.04953	1.8
271.02386	1.0
271.06464	2.9
273.08182	1.3
275.09756	0.6
284.79816	0.5
285.04474	0.8
287.06131	0.6
289.07535	1.5
291.09103	1.3
301.07489	0.8
303.05469	0.6
315.05527	0.5
317.06998	1.7
319.08551	0.8
351.09167	0.7
355.12466	0.6
369.09943	0.5
371.11749	1.1
391.11832	0.4
397.09750	0.8
399.20453	0.8
429.11719	1.2
469.16940	0.8
471.18463	1.9
473.19806	1.3
487.17917	0.8
489.20074	1.0
491.20999	0.8
515.17401	0.5
517.19232	2.3
518.19751	0.6
561.18402	2.2
665.30347	0.8
691.33075	0.6
735.31909	1.6
779.31122	5.0
780.32147	0.9
785.35559	1.7
787.36517	1.4
823.30066	100.0
824.30383	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	821.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
59.01250	100.0
69.03345	2.1
70.39579	5.9
71.01249	46.6
72.99155	3.3
73.02824	15.1
78.95782	1.7
83.01267	8.4
85.02824	16.0
87.00736	4.6
87.55481	1.5
89.02311	20.7
95.01257	6.5
96.95889	10.5
97.02821	2.7
99.00734	2.0
99.09417	1.6
101.02320	22.9
113.02328	38.0
114.02634	1.9
119.03381	8.0
125.02317	6.3
135.04437	1.5
141.01537	1.9
143.03386	3.7
143.77853	1.6
161.04488	10.2
179.05493	5.8
179.96030	1.9
209.11696	3.6
211.13388	1.9
279.22952	1.7
351.45160	1.5
354.42108	1.6
417.32654	1.6
451.31073	3.7
466.70099	1.6
469.31696	10.3
511.32324	2.3
607.03564	2.0
612.19495	1.7
613.35974	11.3
614.35394	1.9
631.37048	33.9
632.37250	4.9
649.38007	13.5
673.38617	7.6
691.39099	13.6
791.09705	1.8
821.36957	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	821.417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.1
61.98707	1.7
69.03324	0.7
71.01257	2.5
71.53802	1.0
73.02831	0.6
83.01249	0.6
87.00764	0.7
89.02324	1.6
96.95889	0.7
101.02307	1.1
101.05962	23.0
105.11475	0.6
109.06464	3.0
113.02347	0.9
114.63068	0.5
115.07560	0.9
151.11221	0.8
161.04449	0.6
171.10266	0.8
179.05664	0.6
197.11769	5.2
199.13448	0.8
205.13246	0.5
209.11824	0.7
211.13394	2.4
216.78847	0.6
235.08319	1.6
235.13342	1.8
237.15009	1.3
253.09248	4.6
277.21701	25.9
278.22134	1.3
289.18216	1.8
307.19403	1.7
325.20184	14.0
491.21231	0.8
509.22516	3.5
561.29358	1.1
593.28333	1.9
657.03064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.0
58.00483	1.7
58.28030	1.1
59.01248	100.0
61.98695	2.1
65.94580	1.3
66.47452	1.2
69.03300	2.3
69.34641	13.3
71.01247	46.4
72.99171	5.1
73.02818	14.7
75.00755	1.7
83.01247	7.5
85.02819	21.8
87.00741	4.7
89.02306	22.1
90.93056	1.3
95.01249	5.8
96.95884	20.4
97.02827	1.5
99.00768	3.8
101.02311	22.5
112.98710	1.4
113.02321	36.0
114.02634	1.9
119.03357	9.5
124.01535	2.2
125.02323	6.0
131.03378	2.3
139.00235	1.6
143.03395	5.9
149.04433	2.2
152.89540	1.4
161.04425	10.6
179.05524	4.0
209.11772	3.1
227.12868	1.7
253.09361	1.4
397.13641	1.4
397.20602	2.2
451.30344	1.8
465.87326	1.3
469.31671	7.0
613.35748	9.3
631.36963	32.0
631.47449	1.6
632.37280	3.7
649.38086	14.5
650.38391	3.1
673.37976	7.2
691.39105	14.5
692.39386	3.2
710.56311	1.4
748.84137	3.7
755.33783	4.6
755.83923	4.7
821.36011	9.0
821.87134	7.1
822.35675	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	819.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.1
61.98703	11.9
63.96110	1.7
69.03325	1.2
71.01254	12.6
71.04893	0.6
73.02818	2.0
78.91745	1.7
78.98461	8.5
79.95601	17.8
80.96387	98.4
81.03328	0.9
82.60846	0.6
85.02800	4.4
87.00732	3.8
91.45319	0.6
94.97958	22.3
95.01289	0.9
96.95885	3.3
97.02805	2.6
99.00771	1.0
101.02321	4.4
106.97981	3.5
113.02308	1.2
122.97469	4.4
125.02325	3.9
127.03861	1.2
134.97446	8.8
136.99054	2.0
148.99036	9.2
151.11209	2.0
152.98534	8.1
153.01729	0.9
161.09583	0.7
164.98532	15.2
171.10173	0.6
179.10658	1.1
195.13780	0.6
197.11777	4.9
206.99638	3.8
209.11778	2.1
219.09969	13.6
225.00699	23.6
253.09195	1.1
263.08972	20.2
264.09302	1.4
277.21692	5.9
286.15198	0.8
291.19684	6.1
293.21045	1.0
309.20648	3.5
459.18753	2.3
481.16766	4.0
499.17804	4.8
500.17786	1.1
541.19647	1.9
559.25830	1.6
737.41534	2.2
749.82001	0.8
819.42004	100.0
820.42401	17.5
826.64935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
70.61201	0.5
71.01260	0.9
73.02817	35.8
74.03152	0.5
79.05412	0.3
80.28004	0.2
83.04910	0.3
85.02804	0.2
89.02336	0.4
95.50433	0.2
96.95858	0.2
101.02294	0.3
106.04134	0.3
111.04410	0.6
113.02338	0.6
117.01863	0.3
133.02846	0.9
139.07576	1.6
143.11108	0.2
145.10185	0.3
151.03961	0.4
151.07564	0.2
161.05963	0.2
162.49182	0.2
163.07625	0.3
165.05476	0.8
170.45630	0.2
171.38869	0.2
173.13213	0.7
175.03902	2.7
175.07681	0.2
175.14848	0.4
183.06503	0.4
193.05008	1.9
201.12822	0.9
217.12277	3.4
218.12634	0.2
219.13846	20.8
220.14230	1.1
223.06190	0.2
245.11789	1.9
253.07123	0.5
261.11295	9.2
262.11774	0.5
263.12860	100.0
264.13184	5.4
295.08139	0.3
303.12512	0.2
333.93021	0.2
631.37225	0.5
654.62976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01596	1.0
60.07323	0.5
61.39867	0.4
61.98707	0.8
71.01258	2.3
71.59636	0.7
78.95761	0.5
79.95621	0.5
80.96410	1.7
85.02817	0.9
87.00751	1.1
89.02309	1.5
94.97975	0.5
99.97622	0.4
101.02342	1.7
109.24881	0.6
113.02322	1.5
125.02346	1.2
131.91730	0.5
141.01588	59.7
141.27435	0.5
142.01921	1.1
152.98422	0.5
161.04550	0.7
184.87016	0.4
225.00702	0.6
235.08179	0.9
243.04895	0.9
279.23227	7.0
280.23706	1.0
347.30231	0.5
361.23679	5.0
362.24164	0.9
397.13434	10.6
398.13913	0.7
415.14590	1.7
419.11801	1.8
420.12000	0.6
437.12704	3.8
469.06702	0.9
677.37256	1.2
699.36011	2.3
819.38525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.0
59.01246	9.2
61.98721	1.7
63.27301	1.9
64.21441	1.7
67.01777	2.0
70.76749	5.8
71.01256	9.6
72.99178	16.9
75.00776	1.9
79.64184	2.0
79.71727	1.6
79.82955	1.6
79.95613	2.3
80.60294	1.5
83.01254	2.6
85.02815	13.2
87.44711	1.7
93.03345	4.0
93.04306	1.8
95.01260	3.8
96.95891	33.6
97.02892	1.9
98.95438	2.3
101.02331	3.1
101.05504	1.8
106.04127	7.4
107.04916	15.3
108.02081	7.9
109.02835	53.2
111.00764	10.1
113.02341	14.5
119.04900	3.7
121.02879	9.0
121.06506	8.4
123.00780	50.1
123.04424	15.9
124.01563	41.3
125.02360	2.4
131.04918	3.0
133.02843	22.8
135.00789	2.8
135.04407	3.7
136.01573	5.7
137.02341	27.9
139.03906	8.1
139.07556	2.8
142.88235	2.1
143.04968	2.4
145.02864	5.8
146.03691	5.0
147.00757	3.8
147.04384	12.0
149.02359	8.7
151.03912	40.1
153.01854	3.0
159.04384	2.8
161.02373	5.2
161.05980	6.9
162.03194	2.7
163.03909	24.6
165.01840	7.8
165.05492	26.1
167.03415	12.9
169.04959	4.0
171.04413	4.0
173.02332	6.4
173.05936	3.8
174.03127	6.8
175.03929	75.1
176.04413	2.6
177.01819	7.2
178.02679	2.7
179.03482	3.2
180.96849	1.8
181.01366	18.2
183.06554	5.8
187.03914	11.3
188.04655	2.8
189.01859	5.4
189.05478	16.8
190.02667	6.2
191.03427	4.7
193.04976	27.1
194.02139	6.2
195.02931	88.8
195.71539	1.7
196.03285	3.0
197.02351	2.1
199.03964	6.0
201.01842	2.3
201.05531	3.4
202.02621	10.5
203.03471	8.7
205.01416	4.2
205.05031	18.7
207.02882	14.2
209.04555	7.7
215.03505	5.5
216.04262	2.9
217.04999	25.5
218.05537	2.7
223.06065	17.1
226.07210	1.9
227.03407	9.2
227.05579	11.1
231.02872	3.9
235.06093	4.2
245.04527	17.9
247.06020	5.3
253.07161	28.0
254.07437	2.6
261.04272	3.6
265.03546	61.8
267.05121	28.7
269.06607	12.5
277.07181	7.7
289.03549	3.8
291.05200	6.7
295.08176	2.8
297.06265	7.9
299.07782	8.9
307.04626	4.7
313.09372	10.1
321.06161	100.0
322.06326	6.1
325.05737	13.1
329.08786	35.2
353.08722	19.1
365.06497	3.0
371.09869	4.5
389.06277	2.1
389.10999	11.7
446.08673	3.3
446.41873	2.0
487.30878	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80041	0.2
61.98700	100.0
68.46642	0.2
70.17033	0.2
71.59225	0.3
92.62296	0.3
96.83505	0.2
109.12822	0.3
141.13298	0.2
185.11826	0.4
209.11807	0.6
210.12279	0.4
225.07179	0.2
231.71971	0.2
250.85518	0.2
253.09369	0.4
277.21695	2.1
278.22119	0.9
305.17645	0.4
380.84003	0.3
531.40167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17533	0.5
61.98701	1.8
71.58632	0.8
78.95754	2.9
80.96392	2.6
93.85634	0.5
94.97975	0.6
107.32499	0.5
113.09663	0.6
122.24926	0.5
131.66325	0.6
183.13834	34.4
184.14154	1.6
242.07939	0.8
279.23331	5.7
281.24860	37.2
282.22427	0.5
282.25174	3.8
289.18170	1.1
293.21262	1.8
297.24353	100.0
298.24719	7.5
306.38116	0.6
506.32480	18.3
507.32809	2.3
540.31000	0.6
819.41736	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	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.4
61.98700	100.0
69.55296	1.2
71.01281	0.2
80.96390	0.4
92.64705	0.2
96.95892	0.4
109.64099	0.2
111.01938	0.2
159.67224	0.2
185.11784	0.3
209.11807	1.0
210.12183	0.6
211.12265	0.2
253.09227	0.5
273.28281	0.2
277.21634	1.7
278.22168	0.6
279.22440	0.4
289.18286	0.4
293.21201	0.5
302.24905	0.2
307.18973	0.3
413.87756	0.3
750.06299	0.3
818.52350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	1.2
60.04721	0.3
61.98701	0.6
71.01240	2.6
71.57372	0.4
72.99208	0.5
73.02822	0.7
78.95782	0.7
83.01272	0.4
85.02831	0.7
87.00753	0.5
89.02314	2.1
96.95869	0.6
97.02833	0.6
101.02333	2.1
113.02345	0.8
119.03373	0.6
125.02328	1.0
141.01595	58.1
142.01930	1.1
153.57289	0.3
161.04430	0.6
204.82133	0.3
235.08177	0.8
243.04720	0.5
256.03741	0.7
277.21707	6.3
278.21936	0.8
284.03323	0.8
285.03867	1.5
358.75516	0.3
359.21912	4.6
360.22186	0.4
362.91794	0.4
393.41028	0.4
397.08344	0.6
397.13489	12.7
398.13608	1.2
415.14597	2.1
419.11539	2.6
437.07370	0.5
437.12766	4.4
469.06668	0.6
654.12933	0.4
675.35602	0.4
697.34021	1.9
740.90631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.0
61.98703	1.9
70.89933	0.5
71.01248	2.8
71.01562	0.3
78.95750	0.3
83.01260	0.4
87.00766	0.6
89.02318	2.4
96.99191	0.5
97.02798	0.5
101.02322	1.7
103.91922	0.3
105.82355	0.3
113.02340	1.1
119.03381	0.7
125.02337	0.5
141.01601	56.9
142.01938	1.2
143.03386	0.4
153.01665	0.3
235.08189	0.9
243.04802	0.7
257.06506	0.4
277.21725	6.1
278.21912	0.5
287.07758	0.3
359.22058	4.9
360.22400	0.5
397.13525	10.9
398.13779	0.8
415.14468	2.5
419.11697	2.9
437.12729	4.3
469.06506	0.9
541.35504	0.4
564.43469	0.3
675.35504	0.6
688.98151	0.4
697.34149	1.5
836.69208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	0.8
61.98695	1.1
69.47137	2.2
71.01258	2.4
75.14966	0.3
78.87894	0.3
83.01257	0.4
85.02821	0.6
87.00773	0.4
89.02316	2.1
96.99202	0.5
97.02811	0.7
101.02345	1.7
113.02314	1.2
119.03368	0.6
125.02312	0.8
131.76704	0.2
141.01593	57.7
142.01947	0.9
143.03409	0.4
161.04454	0.4
161.19655	0.3
179.05472	0.4
195.70609	0.3
197.33002	0.3
235.08055	0.7
243.04828	0.8
277.21719	6.5
278.22070	0.8
305.08746	0.3
338.80173	0.3
359.21994	4.1
397.08331	0.5
397.13492	11.4
398.13675	0.8
415.14587	1.9
419.11685	2.5
437.12793	3.8
438.13226	0.4
469.06119	0.8
567.48193	0.3
675.35339	0.5
690.93243	0.3
692.67578	0.3
697.33813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	47.5
69.54077	5.5
69.54490	16.0
71.01252	22.2
73.02827	8.5
83.01265	6.5
85.02821	10.9
87.00763	4.7
89.02328	5.8
93.03359	3.8
95.01270	3.3
96.95894	8.9
101.02335	12.5
113.02321	12.9
121.02824	3.2
122.03644	9.6
133.02835	5.3
134.03629	3.4
136.01495	3.1
137.02322	3.1
149.00706	2.5
149.01131	3.1
149.02345	37.1
149.05965	9.0
150.03127	96.5
151.03723	2.6
163.03981	2.7
164.04642	12.1
164.24146	2.2
165.05476	100.0
180.04182	5.3
181.04915	3.1
195.06551	30.4
196.07211	7.0
211.09717	9.6
340.11575	3.6
355.13913	17.0
359.14948	15.6
373.14987	11.3
415.15948	7.0
503.19168	36.8
504.19577	5.7
521.20593	16.8
522.21008	3.1
551.21460	15.3
563.21313	36.7
564.21631	5.0
569.22357	22.6
570.22583	4.3
611.23401	96.4
612.23596	16.0
801.16064	3.0
814.70959	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31929	1.6
59.01247	23.0
61.61098	1.2
65.29950	1.2
69.03304	1.8
70.03672	1.3
71.01253	10.9
71.57429	2.3
71.57807	1.6
72.99172	1.4
73.02811	3.0
78.95779	3.0
81.03323	1.8
84.41999	1.4
85.02814	4.5
89.02308	5.4
89.03863	1.5
89.58182	1.6
93.03322	4.4
95.04881	1.9
96.95882	8.9
101.02319	5.2
105.03326	1.5
108.02026	2.7
113.02294	4.6
114.25351	1.6
117.03349	14.2
119.04915	100.0
120.05262	7.5
121.02847	6.8
123.04391	7.1
133.02858	12.5
135.04410	5.3
144.57524	1.5
145.02855	56.6
146.03177	4.6
149.02338	4.5
150.03105	3.3
151.03912	31.1
161.02338	3.3
161.04486	2.4
175.02655	1.7
175.03992	1.5
177.01848	15.8
179.05550	2.1
206.28169	1.6
209.11734	4.4
269.04398	2.2
285.03610	1.5
290.31226	1.5
323.62509	1.4
347.82071	1.6
356.19653	2.6
361.22482	3.2
379.23132	2.1
387.20502	3.2
399.20273	5.8
405.21497	2.8
507.25729	1.8
519.27063	1.5
545.24017	4.4
575.24774	2.6
587.25342	2.5
589.26453	4.9
627.33636	3.8
629.13940	1.5
653.29816	2.2
665.29614	6.0
671.30994	7.0
681.28638	2.0
687.36011	1.7
697.30286	5.6
707.30737	1.9
709.32831	3.5
785.35315	2.7
799.34039	2.3
817.34607	30.6
818.35461	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	817.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
59.01253	40.7
61.11988	1.8
70.56265	4.5
70.56625	3.4
71.01265	16.5
72.99158	1.9
73.02825	6.8
83.01248	4.1
85.02822	14.8
87.00779	3.2
89.02341	3.5
93.03355	3.8
95.01266	3.8
96.95898	4.6
99.00755	2.5
101.02332	8.9
113.02336	10.3
121.02856	5.0
122.03627	14.8
125.02408	2.3
133.02824	6.8
134.03596	5.2
136.01619	3.0
143.03352	2.9
147.04378	3.3
149.02350	44.7
149.05995	8.6
150.03128	99.2
151.03572	4.5
163.03984	2.9
164.04750	10.8
165.05479	97.1
166.05800	4.4
180.04182	5.4
181.04999	4.1
195.06570	32.8
196.07310	7.4
211.09721	8.2
214.02463	2.3
335.14175	2.1
340.11545	4.4
355.13953	18.1
356.13852	2.9
359.14890	13.1
373.15027	8.9
415.16052	8.0
486.36572	2.4
503.19305	39.9
504.19400	4.3
521.20300	21.7
551.21259	13.8
552.21765	2.7
563.21399	38.2
564.21643	5.4
569.22375	24.4
570.22650	2.7
611.23431	100.0
612.23883	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	815.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.8
69.13129	0.8
69.60327	5.5
71.01244	2.0
78.95782	1.8
83.04889	3.8
85.02818	1.1
89.02308	2.5
101.02328	2.8
113.02377	1.8
119.03402	0.7
163.11194	2.8
165.12788	1.8
171.10153	0.9
209.11766	100.0
210.12105	5.7
227.12848	13.1
228.13171	1.0
235.08226	5.5
253.09259	9.1
255.23164	1.0
277.21710	89.1
278.22107	5.5
445.20773	1.7
501.09882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.1
69.35254	0.6
71.01257	1.6
73.02830	1.6
75.49837	0.7
82.82509	0.7
83.01262	0.8
85.02797	0.9
89.02326	1.0
93.03329	1.6
95.03507	0.6
96.95888	8.3
98.95480	0.9
101.02352	1.2
106.82787	0.6
107.01299	1.8
109.02853	2.1
113.02322	0.8
121.02842	2.4
133.02809	0.7
137.02370	0.9
148.01604	0.8
151.00273	12.0
159.04446	0.8
163.00314	1.8
165.05527	0.8
178.99817	4.9
195.06511	0.7
211.03941	1.3
226.02631	0.9
227.03426	1.5
229.05038	0.9
229.37784	0.8
243.03027	4.0
245.04613	1.6
254.02083	1.1
255.00447	0.6
255.02969	17.0
256.03415	1.6
271.02463	30.4
272.02924	1.8
283.02588	1.1
284.03098	1.2
299.02039	0.7
299.05444	1.4
300.02744	66.6
301.03497	49.0
302.03912	2.4
447.09302	100.0
448.09531	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	813.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.2
60.80206	0.1
70.08053	0.6
85.99210	0.1
94.95674	0.1
98.19884	0.2
113.09604	0.4
148.26947	0.1
183.13829	29.7
184.14169	1.3
253.09254	0.6
279.23288	7.8
280.23608	0.6
295.22745	0.2
297.24332	100.0
298.24661	6.3
366.39047	0.1
510.06552	0.1
517.66083	0.2
843.85529	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.8
70.35316	1.9
85.02814	0.8
91.05449	0.5
93.03343	3.0
96.21996	0.5
96.95889	2.7
98.20470	0.8
98.55248	0.5
109.02863	0.7
112.58177	0.6
113.23966	0.5
117.03362	14.4
119.04924	100.0
120.05243	3.4
121.02859	0.7
132.02074	0.9
132.05682	1.1
133.02849	0.7
134.03641	37.2
135.04443	23.7
136.04736	1.0
145.02870	58.1
146.03130	2.5
147.04424	0.8
149.05995	11.9
159.08093	2.9
160.01593	3.5
161.02434	2.8
161.06001	0.9
175.03966	4.6
177.96297	0.6
191.05557	1.1
202.08669	0.9
203.62352	0.5
268.89322	0.5
279.39682	0.6
313.19357	1.7
353.18723	2.2
356.19818	3.9
396.19012	0.7
399.20364	6.0
459.22876	1.5
489.24142	0.6
502.23361	2.8
519.26135	0.9
532.24579	1.1
545.24048	12.9
546.24237	1.6
549.27203	1.1
559.25293	1.3
575.25165	7.6
665.29846	11.2
666.30493	1.5
669.32977	4.7
679.31189	1.7
695.30817	28.2
696.30920	3.7
815.36621	40.9
816.36816	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	813.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.2
59.01249	0.3
65.37134	0.2
65.65864	0.2
79.95601	5.5
87.00742	0.8
95.95118	1.4
96.95884	100.0
97.95817	0.4
98.20541	0.5
98.95464	1.7
98.96267	0.4
112.98656	0.2
159.85957	0.2
161.02344	0.2
211.37003	0.2
216.81743	0.2
229.26617	0.2
255.31784	0.2
259.01202	0.4
339.05402	3.4
340.05576	1.0
353.06555	0.2
361.10464	0.2
368.30774	0.2
398.06857	0.3
469.20096	0.2
591.18854	0.3
651.17480	0.6
796.21832	0.5
813.22272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4641
Annotation	Vina-ginsenoside R25
Peak:m/z	Relative Intensity
57.03324	3.0
59.01246	1.2
71.01245	4.4
72.99158	1.8
75.00748	18.8
82.26125	0.6
85.02343	1.2
85.02824	20.1
87.00748	1.9
95.01273	1.4
99.00742	1.8
112.01551	0.7
113.02326	11.5
115.00254	0.8
116.01019	1.1
129.01839	0.7
134.25000	0.5
139.28412	0.6
157.01289	1.7
178.88234	0.8
199.99564	0.6
229.27049	0.7
236.72588	0.6
265.56802	0.6
270.29904	0.6
349.76437	0.6
633.40063	100.0
634.40387	16.3
715.39886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.7
58.00453	1.2
59.01251	32.4
64.20167	0.5
67.01730	0.8
68.99672	2.1
71.01254	31.2
71.45670	1.2
71.48515	0.5
72.99171	2.0
73.02811	2.6
75.00749	15.6
83.01260	2.9
85.02824	17.8
87.00749	3.3
89.02317	9.9
95.01266	5.2
97.02802	0.8
99.00756	16.7
101.02326	12.3
101.36017	0.5
112.01502	0.7
113.02327	10.8
119.03384	2.8
139.00218	0.9
157.01303	1.2
161.04494	0.9
164.42073	0.6
425.34009	0.7
453.33835	0.7
473.36688	1.2
515.10962	0.6
529.92401	0.7
811.44861	100.0
812.45245	21.1
812.57129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.6
58.00457	1.7
58.32997	0.7
59.01249	26.3
68.99668	2.4
70.28859	3.1
71.01251	28.4
72.99162	3.2
73.02799	2.2
75.00741	15.4
80.94085	0.7
83.01240	4.2
85.02819	18.6
87.00751	5.2
89.02308	11.7
95.01266	5.4
96.95888	16.4
99.00760	15.3
101.02316	12.0
111.00779	1.2
112.01518	1.9
113.02334	16.4
115.00204	1.0
119.03397	3.7
139.00250	1.5
148.58344	0.8
157.01302	2.9
161.04411	1.4
173.31535	0.8
175.02390	0.9
177.05762	0.8
193.99580	1.0
195.06563	1.1
200.93161	0.9
294.96149	0.8
347.68289	0.8
425.34253	1.1
512.22784	0.8
649.39117	1.2
718.53906	0.9
811.44812	100.0
812.45184	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	810.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
61.98700	0.2
69.75502	0.9
71.01260	0.5
78.95778	6.2
96.95864	0.4
103.54321	0.2
127.07563	0.4
152.99480	0.6
160.73526	0.2
168.04198	1.1
178.33865	0.2
209.15454	0.4
221.15472	0.2
224.06903	2.2
231.21136	0.8
237.18433	0.5
242.08009	0.8
249.22110	0.3
257.19061	0.3
263.20148	9.1
264.20465	0.7
265.21832	0.5
275.20151	16.3
276.20349	1.5
277.21713	20.2
278.22046	1.2
291.19647	0.4
293.21222	100.0
294.18173	0.4
294.21536	7.6
297.54895	0.2
310.72403	0.2
339.99658	0.3
502.29391	19.2
503.29709	2.0
743.01215	0.3
769.28375	0.3
843.71246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77877	0.3
68.52312	0.2
69.35427	0.7
69.35847	2.2
90.52532	0.3
97.22325	0.3
98.19743	0.5
105.77629	0.3
111.85726	0.3
129.28937	0.3
168.91756	0.3
264.64551	0.3
361.66626	0.3
381.37729	0.3
455.35284	100.0
456.35635	9.4
751.75244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.9
59.01237	0.6
59.86808	0.3
69.03327	0.4
71.13298	0.4
71.13633	0.7
78.95771	7.4
93.06977	0.7
97.06456	1.4
121.10117	7.8
123.08039	1.0
125.09603	6.2
125.86298	0.3
127.98441	0.3
141.12718	1.0
147.08018	0.6
152.99478	1.0
157.08594	1.1
164.08403	0.3
165.12793	0.5
168.04218	1.4
175.84392	0.3
185.11748	11.3
186.12096	0.5
193.15979	0.4
197.11748	3.2
209.11765	1.3
211.13264	1.3
223.13380	0.9
224.06921	2.8
242.07883	0.5
247.13152	0.7
247.20625	0.7
273.18558	1.0
277.21716	0.9
278.21939	0.5
279.23276	34.2
280.23590	3.0
291.19644	100.0
292.20004	8.0
295.22778	2.4
296.23093	1.1
297.15298	0.4
305.50818	0.3
371.89645	0.3
415.22537	0.4
504.30936	31.2
505.31503	3.2
784.40692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
71.01253	0.5
78.95786	0.3
80.00043	0.2
96.95860	0.3
101.02349	0.4
111.08052	1.5
115.18053	0.2
118.70084	0.2
127.07553	0.3
145.77229	0.2
147.48509	0.2
150.67311	0.2
171.10182	3.3
183.13838	41.9
184.14149	2.0
201.40353	0.2
211.13356	0.7
214.11993	0.3
253.09235	1.2
277.21725	16.2
278.22067	1.4
293.21365	0.2
294.21500	0.2
295.22781	100.0
296.23129	7.3
380.65189	0.2
474.28854	0.2
564.35785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01260	0.3
62.57936	0.2
69.03313	0.3
69.75835	1.1
71.01265	0.2
78.95778	0.5
97.06470	0.6
101.02335	0.2
101.87137	0.2
120.40029	0.2
123.08080	0.4
125.09621	2.5
127.04918	0.2
137.29828	0.2
141.12744	0.7
146.15347	0.2
149.09659	1.3
164.14723	0.2
175.91296	0.2
185.11769	6.6
186.12114	0.2
197.11784	1.8
200.58478	0.2
209.11813	0.2
249.22252	0.8
253.09290	0.6
258.18115	0.2
275.20102	0.5
279.23318	5.0
280.23709	0.4
293.21240	100.0
294.21561	6.3
294.24103	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
58.00471	1.0
59.01254	24.5
68.99682	1.2
70.22865	1.8
70.23274	1.1
71.01255	23.7
72.99184	1.8
73.02831	1.8
75.00748	8.3
79.36961	0.5
80.57975	0.5
83.01263	1.9
83.20118	0.5
85.02821	9.9
87.00740	2.0
89.02312	9.4
93.03315	1.0
95.01270	5.2
96.95896	1.9
99.00761	13.2
101.02330	9.2
103.05756	0.5
104.54456	0.6
106.67223	0.5
111.00733	0.6
113.02339	6.8
115.00227	0.7
117.03394	0.7
119.03376	1.4
119.04919	1.3
121.02816	0.7
122.03639	2.9
131.03447	0.6
136.01550	1.8
137.02313	1.3
139.00305	0.6
145.02843	1.5
149.02341	6.6
149.05927	0.9
150.03136	18.1
151.03931	3.7
157.01295	0.8
164.04689	1.1
165.05487	17.2
166.02602	1.5
166.05916	0.7
179.07080	1.4
180.04066	1.0
181.04974	1.4
195.06564	9.3
196.06984	0.9
269.04584	1.7
373.12891	0.7
387.14545	1.1
417.15768	1.8
453.33731	1.0
469.33304	3.7
471.34747	4.4
513.36218	1.2
539.37439	1.6
553.35260	1.5
565.20856	3.6
566.21198	0.8
567.36554	0.7
585.38190	2.8
595.21625	0.7
603.38757	1.2
613.22540	0.6
619.23151	0.6
629.36829	6.5
630.37067	0.9
713.26172	1.7
747.44275	0.8
809.43396	100.0
810.43860	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	809.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
58.00449	2.2
59.01247	37.4
62.55621	1.0
66.09372	1.2
67.01759	1.2
68.99680	1.8
70.79255	2.3
70.79584	1.4
71.01248	35.0
72.99162	4.0
73.02805	1.9
78.95778	2.0
83.01238	2.5
85.02807	12.6
87.00754	5.9
89.02312	21.7
89.58469	1.4
95.01254	4.5
96.95879	2.7
101.02319	19.9
113.02319	17.9
119.03379	4.9
131.03375	1.2
161.04449	4.4
171.10117	1.7
179.05519	2.1
179.90233	1.1
182.42772	1.1
190.75964	1.2
210.87646	1.0
254.25311	1.1
286.08557	1.2
423.43231	1.1
583.84363	1.2
720.74213	1.2
737.17090	1.3
809.46844	100.0
810.47321	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.2
58.00457	1.9
59.01253	25.6
60.74137	0.9
68.99694	1.3
69.03315	1.8
69.85535	2.5
69.85950	3.5
70.82094	1.0
71.01254	28.1
72.99189	3.2
73.02833	2.2
75.00750	16.4
82.14678	1.0
83.01241	2.7
83.73753	0.9
84.59579	1.1
85.02828	20.1
87.00755	2.7
89.02316	12.7
95.01247	5.6
96.95874	4.4
98.19798	1.1
99.00759	15.1
101.02319	13.9
109.06479	2.4
113.02347	10.6
115.00272	1.0
119.03414	2.0
119.04922	1.6
122.03606	1.6
130.86343	0.9
136.01555	5.4
137.16270	0.8
149.02364	3.2
150.03160	8.0
151.00351	1.5
151.03961	5.9
152.52911	1.2
157.01382	1.8
163.83093	1.1
165.01836	3.0
165.05449	10.2
166.02635	4.1
167.03333	1.0
179.03314	1.1
180.04239	3.5
181.04999	4.0
195.06535	14.4
214.26823	1.1
225.07628	1.8
277.37259	1.1
357.13443	1.9
372.12726	1.0
373.12900	6.3
387.14499	8.6
388.14832	1.8
421.15353	2.1
445.32828	1.2
471.34863	2.0
565.21008	1.2
629.37073	1.2
687.91718	1.1
809.43585	100.0
810.30231	1.6
810.43768	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	809.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.4
57.14086	0.5
58.00458	0.9
59.01247	23.9
62.93001	0.5
68.99681	1.8
69.03331	0.5
71.01247	25.1
71.20338	0.9
72.99186	2.7
73.02802	2.0
75.00740	14.8
83.01263	2.7
85.02818	16.0
85.99969	0.5
87.00758	4.3
88.28968	0.5
89.02314	12.5
95.01248	5.9
97.02756	0.4
97.42309	0.4
99.00752	15.2
101.02320	13.4
101.95390	0.5
111.00671	0.5
112.01520	0.8
113.02322	13.0
115.00228	1.0
119.03378	2.3
129.01819	0.6
139.00237	1.6
157.01279	2.1
161.04433	1.7
221.08617	0.6
407.29565	1.0
423.32684	2.1
451.32129	0.6
471.34833	1.3
749.69269	0.6
809.43231	100.0
810.28632	0.7
810.43451	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	809.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
58.00471	1.0
59.01254	24.5
68.99682	1.2
70.22865	1.8
70.23274	1.1
71.01255	23.7
72.99184	1.8
73.02831	1.8
75.00748	8.3
79.36961	0.5
80.57975	0.5
83.01263	1.9
83.20118	0.5
85.02821	9.9
87.00740	2.0
89.02312	9.4
93.03315	1.0
95.01270	5.2
96.95896	1.9
99.00761	13.2
101.02330	9.2
103.05756	0.5
104.54456	0.6
106.67223	0.5
111.00733	0.6
113.02339	6.8
115.00227	0.7
117.03394	0.7
119.03376	1.4
119.04919	1.3
121.02816	0.7
122.03639	2.9
131.03447	0.6
136.01550	1.8
137.02313	1.3
139.00305	0.6
145.02843	1.5
149.02341	6.6
149.05927	0.9
150.03136	18.1
151.03931	3.7
157.01295	0.8
164.04689	1.1
165.05487	17.2
166.02602	1.5
166.05916	0.7
179.07080	1.4
180.04066	1.0
181.04974	1.4
195.06564	9.3
196.06984	0.9
269.04584	1.7
373.12891	0.7
387.14545	1.1
417.15768	1.8
453.33731	1.0
469.33304	3.7
471.34747	4.4
513.36218	1.2
539.37439	1.6
553.35260	1.5
565.20856	3.6
566.21198	0.8
567.36554	0.7
585.38190	2.8
595.21625	0.7
603.38757	1.2
613.22540	0.6
619.23151	0.6
629.36829	6.5
630.37067	0.9
713.26172	1.7
747.44275	0.8
809.43396	100.0
810.43860	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.8
58.00479	1.1
59.01252	28.2
64.47804	0.5
68.99689	2.7
70.62548	1.6
70.62888	0.5
71.01257	25.6
72.99173	2.8
73.02814	2.4
75.00748	15.9
83.01246	3.3
85.02827	17.4
85.99979	0.8
87.00749	4.1
89.02319	13.3
95.01271	5.3
96.95908	0.6
99.00758	16.3
101.02321	13.7
102.02689	0.5
111.00809	0.5
112.01572	0.7
113.02338	12.0
119.03370	3.1
122.03600	1.6
126.58641	0.5
131.03374	0.8
136.01495	0.5
139.00310	1.1
149.02316	1.9
150.03137	8.2
151.03787	0.7
157.01324	1.7
161.04503	1.4
165.01845	0.4
165.05505	7.2
180.04231	0.8
181.05101	0.7
195.06572	6.4
207.45967	0.6
210.91667	0.5
368.85959	0.5
387.14340	0.8
417.15695	0.5
451.31982	0.7
565.20459	1.1
809.43317	100.0
810.43640	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	809.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.3
57.21169	0.3
58.00460	1.9
59.01252	32.1
63.15802	0.3
67.01771	0.6
68.99696	2.4
69.03323	0.6
70.24549	1.1
70.24960	0.7
70.83215	0.3
71.01254	32.0
72.01569	0.4
72.99182	3.4
73.02810	2.7
75.00748	18.6
83.01260	3.5
84.02027	0.5
85.02825	20.1
85.99979	0.7
87.00753	5.6
87.85811	0.3
89.02318	14.7
95.01261	7.4
96.95869	1.1
97.02821	0.9
99.00756	18.2
101.02320	15.3
101.40771	0.3
108.31617	0.3
111.00734	0.5
112.01550	1.5
113.02332	16.5
115.00274	0.8
119.03391	3.1
123.62563	0.3
125.02336	0.6
129.01785	0.5
131.03368	1.0
139.00246	1.2
154.67883	0.4
157.01323	2.3
161.04463	1.4
179.05495	0.9
220.67369	0.3
221.06609	1.0
288.12888	0.3
377.28494	0.4
407.29349	0.5
421.30951	0.4
423.32617	2.2
451.31750	0.8
471.34860	0.9
632.24554	0.4
663.37579	0.5
767.41443	0.5
809.43298	100.0
810.43561	13.0
810.57928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72564	0.4
57.03335	2.5
58.00464	1.5
59.01252	27.9
61.98699	0.6
65.02660	0.4
67.01758	0.7
68.99699	2.3
71.01256	28.1
72.99176	2.6
73.02805	2.7
75.00745	16.3
78.95792	0.9
83.01254	3.6
84.05891	0.5
85.02824	19.3
86.00006	0.6
87.00755	4.1
89.02319	15.0
95.01280	6.2
96.95893	2.3
97.02814	0.8
98.19705	0.9
99.00758	19.8
101.02325	15.3
111.00783	0.9
111.83405	0.5
112.01559	0.8
113.02331	15.8
115.00235	0.8
119.03405	2.7
131.03374	0.7
131.08498	0.5
139.00294	2.4
157.01299	1.9
161.04460	1.7
179.05486	0.6
191.05603	0.8
199.68877	0.5
377.28662	0.9
421.31238	2.5
422.31491	0.9
469.33087	0.8
807.41730	100.0
808.42023	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	807.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29842	0.2
59.01246	0.7
61.81196	0.3
71.01245	0.7
77.80141	0.2
78.95778	0.7
79.28252	0.2
80.96384	0.3
82.98847	0.2
89.02325	0.4
101.02328	0.5
104.19299	0.2
108.29353	0.3
108.71551	0.3
113.09589	0.3
141.09030	0.4
150.10403	0.7
165.12735	1.4
170.91031	0.3
171.10094	0.4
177.12904	0.3
190.99467	0.2
191.05482	0.7
195.13794	0.3
217.30957	0.3
220.14699	0.5
221.15436	1.5
235.08154	0.3
236.10515	0.9
249.22223	4.4
250.22432	0.3
253.09283	1.9
275.20169	0.8
277.21725	10.4
278.22122	0.9
291.19675	1.6
292.19995	1.0
293.21228	100.0
294.18161	0.5
294.21558	8.8
314.46078	0.3
492.85056	0.3
807.39746	0.4
807.53589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.8
58.00449	1.3
59.01251	24.5
67.01733	0.6
68.99692	2.2
69.03307	0.5
70.33649	1.1
70.93625	0.3
71.01255	28.9
72.99178	2.9
73.02817	3.0
73.08528	0.3
75.00745	16.9
83.00800	0.4
83.01263	3.8
85.02824	20.6
85.99964	0.7
87.00761	4.1
89.02319	11.3
95.00725	0.3
95.01260	7.1
96.95854	0.7
97.02851	0.4
99.00757	19.1
101.02325	13.0
111.00732	0.6
112.01519	0.9
113.02334	16.2
115.00282	0.8
116.82497	0.3
119.03387	3.5
129.01817	0.7
139.00281	2.2
142.61385	0.3
143.03412	0.5
143.30763	0.3
157.01361	2.0
159.02843	0.4
161.04475	0.6
178.78806	0.3
188.17921	0.3
405.27844	0.9
447.24918	0.3
449.30490	0.8
469.33047	0.7
513.32025	0.4
588.39069	0.3
807.41718	100.0
808.42065	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.6
70.64144	1.5
71.01244	3.0
78.95802	0.5
80.96366	0.4
89.02306	1.8
92.41682	0.4
96.95901	0.5
100.29758	0.5
101.02327	2.3
113.02328	1.0
119.03350	0.8
121.71795	0.5
142.77869	0.4
152.99576	0.5
161.04451	1.5
173.54099	0.4
179.14323	0.9
181.02968	0.6
195.13841	8.5
223.13359	5.3
228.13567	0.9
235.08101	0.6
253.09241	15.7
256.13098	1.0
275.20160	6.2
276.20364	0.7
277.21613	1.7
291.19705	0.8
293.21207	100.0
294.21509	6.3
309.20837	1.1
383.87045	0.5
529.30267	1.1
569.41876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98698	100.0
62.98392	0.1
64.86845	0.1
69.28789	0.5
69.29223	0.4
70.27002	0.1
71.01261	0.2
74.23093	0.1
96.95879	1.1
97.02854	0.1
98.95507	0.1
101.02315	0.1
106.04097	0.1
107.04911	0.3
108.02068	0.1
108.55956	0.1
109.02858	0.1
113.02328	0.1
123.04437	0.2
125.02302	0.1
132.02124	0.1
133.02838	0.6
137.02332	0.1
139.03902	0.2
147.04405	0.1
151.03906	1.1
161.05928	0.1
165.01888	0.2
165.05515	0.7
175.03903	2.6
176.04274	0.1
193.04965	1.0
205.04985	0.3
223.06062	1.3
235.06067	0.2
253.07120	2.4
253.09569	0.2
313.09216	1.2
363.13461	0.1
703.12415	0.1
835.00360	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01251	3.8
62.59663	0.3
69.90721	1.4
71.01254	1.3
73.02834	0.3
79.95601	17.7
80.96390	6.3
85.02809	1.8
87.00742	1.0
87.04335	0.3
89.26562	0.3
93.03316	0.5
95.95103	3.2
96.95883	100.0
97.95836	0.4
99.00739	0.6
101.02315	1.1
101.19976	0.3
110.91685	0.4
113.02319	0.7
116.29986	0.3
117.03328	0.3
119.04913	24.9
120.05260	1.0
122.97443	0.3
125.02319	0.5
133.06483	0.3
137.00746	0.3
138.96994	0.4
143.03326	0.3
145.02863	1.4
150.97003	0.7
152.98524	0.8
163.03909	21.4
164.04230	1.0
164.98531	10.6
180.97919	0.3
222.99187	1.2
225.00691	0.6
240.18314	0.3
241.00160	1.0
242.99591	0.5
249.05960	0.5
273.16049	4.0
274.16486	0.5
303.33887	0.4
369.04901	1.2
371.04388	0.8
387.03702	1.9
447.05920	0.5
533.09644	1.4
568.88654	0.4
643.21277	0.5
661.23132	2.8
697.10272	0.4
807.26440	56.7
808.26709	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	807.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59653	0.4
59.01240	1.1
65.03831	1.2
65.71379	0.3
66.93686	0.3
71.01246	0.8
71.57074	0.5
74.99272	0.7
83.04899	0.9
91.05403	0.5
93.03320	0.4
94.79664	0.3
95.04918	0.5
96.95901	3.1
97.02814	2.5
98.95472	0.5
105.06983	1.6
105.69123	0.4
111.04380	1.6
112.98717	0.6
113.02333	0.6
117.06958	1.3
119.08538	1.2
121.06458	1.2
123.04379	1.0
129.06985	0.4
133.06477	1.3
135.04390	0.4
135.08070	1.2
145.10144	0.5
147.04443	0.4
148.05211	1.1
161.06047	0.4
163.07555	8.1
169.10164	1.3
171.11726	2.1
173.13293	6.5
174.13622	0.5
175.07558	0.6
187.11179	0.5
189.09055	0.5
191.05513	0.7
199.11259	2.1
215.10693	0.5
217.12283	11.7
218.12706	0.8
223.04622	0.5
253.07138	0.5
255.08720	1.2
257.10223	1.0
259.11972	0.5
261.11292	3.9
262.11786	0.5
273.09760	0.5
273.40152	0.4
275.11343	1.7
285.09879	0.5
290.69180	0.4
301.09250	1.9
302.10010	0.4
303.10638	0.6
329.12241	0.6
333.74304	0.4
369.15924	0.4
421.18536	0.4
455.20642	0.8
457.22363	1.4
473.21854	0.7
475.23349	1.7
501.21243	2.9
502.21808	0.7
515.28693	0.8
519.22430	2.4
545.20251	2.3
563.21515	1.9
670.37848	0.5
763.32684	1.7
807.32324	100.0
808.32611	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08090	0.1
57.03310	1.1
59.01239	0.7
63.33581	0.1
63.96103	0.2
64.76190	0.1
69.03333	0.3
71.01244	1.3
71.58792	0.2
73.02811	0.3
78.98452	0.7
79.95599	1.7
80.96388	10.0
82.96759	0.1
83.04906	0.2
85.02805	0.4
87.00748	0.3
89.02289	0.2
92.12605	0.2
93.06976	0.6
94.97958	2.3
95.04954	0.2
96.95918	0.2
97.02840	0.3
97.06468	1.2
101.02332	0.7
103.47719	0.1
106.97961	0.6
113.02306	0.3
119.08553	0.3
121.02821	0.4
121.10117	9.1
122.10457	0.2
122.97467	0.6
123.08050	0.9
125.02306	0.3
125.09608	6.3
126.09955	0.2
127.03878	0.2
127.07520	0.3
127.11176	0.2
134.97470	0.7
139.11089	0.2
141.12747	0.9
147.08101	0.8
148.99052	0.7
152.98575	0.8
159.68567	0.2
161.86781	0.1
163.11197	0.2
164.98540	1.4
165.12772	0.2
171.10196	0.5
185.11742	11.7
186.12061	0.4
193.15987	0.3
197.11760	3.2
206.99670	0.2
209.11760	1.5
211.13326	1.8
213.15070	0.2
223.13249	0.8
225.00696	3.3
247.13431	0.3
247.20648	0.9
251.99721	0.2
253.09322	0.9
273.18698	0.9
275.81479	0.2
277.21713	6.2
278.22021	0.3
279.22961	0.2
289.18237	0.2
291.19644	100.0
292.19980	8.0
292.23294	0.4
350.14328	0.2
483.15793	0.3
559.25720	0.3
761.38135	0.4
805.40466	8.9
806.40973	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	805.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
57.65710	1.1
59.01243	1.4
63.78114	1.0
65.18208	0.9
65.37341	1.0
65.83929	0.8
71.01244	5.4
73.02798	1.2
78.98447	2.3
79.95602	4.9
80.96386	31.9
85.02776	1.6
86.95923	1.0
87.00746	1.2
94.97970	8.0
97.02802	1.1
98.20536	3.5
101.02305	1.8
106.98006	1.1
121.10121	7.9
122.97453	1.6
123.08051	1.1
125.02250	1.4
125.09612	7.2
134.97485	2.1
136.98996	1.8
147.08038	1.1
148.99004	2.5
152.98514	2.5
164.98573	6.0
171.10168	1.3
181.25565	1.0
185.11751	15.1
197.11708	2.8
206.99458	1.1
209.11732	2.3
211.13391	1.7
225.00685	9.9
247.20779	1.8
253.09348	2.4
253.72028	0.9
273.18713	1.7
277.21719	17.7
278.22000	1.1
291.19650	100.0
292.20016	6.1
332.12885	1.2
467.24817	1.0
727.47522	1.0
805.40411	32.5
806.40979	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	803.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01252	23.8
61.15485	0.6
63.95511	0.8
69.54615	3.0
69.55042	2.9
71.01251	12.5
72.99174	1.3
73.02821	1.6
80.04928	1.8
83.01257	1.0
85.02805	4.1
87.00761	0.8
89.02313	9.7
95.01243	1.4
96.95902	6.9
101.02319	6.5
101.88068	0.8
105.33974	0.7
106.06501	4.6
113.02328	4.1
119.03365	2.6
120.04451	1.2
120.08103	1.4
121.05209	1.1
122.06006	7.1
132.04416	2.6
134.06007	23.8
135.99113	0.7
152.07063	3.1
160.06345	3.0
161.04649	1.1
174.05519	1.1
190.05020	3.0
213.10287	15.6
225.10236	1.5
226.11043	1.5
227.11833	1.2
239.11894	8.3
240.12366	1.0
241.13457	8.7
251.11862	1.9
252.15706	0.8
267.11407	1.6
277.09915	1.0
278.10587	0.8
279.11316	1.0
285.12473	18.7
293.12976	2.2
305.09332	2.2
308.79672	0.8
314.12646	1.2
315.15067	0.9
328.10889	1.7
329.11624	0.8
330.12448	0.9
337.11823	2.5
340.14545	1.4
342.12424	1.2
343.13168	1.6
356.13983	3.1
357.14810	1.0
358.15683	7.7
359.16016	1.2
369.14581	0.9
370.11502	1.1
370.15594	1.8
372.17044	1.7
382.11499	0.9
384.13138	5.1
384.17416	2.0
385.13907	1.7
396.13489	2.2
397.14273	1.7
398.14987	3.7
400.16547	8.4
412.16693	5.5
426.14688	1.9
438.14832	1.0
444.15710	2.4
451.16553	0.8
517.18250	2.5
519.24756	1.0
545.21552	0.9
685.28625	1.0
727.29565	6.6
728.29053	1.1
743.29510	2.3
753.27332	1.6
771.28802	100.0
772.29095	19.6
803.31372	18.4
804.31689	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.6
70.01046	0.6
71.01247	1.2
85.02841	0.6
87.00758	0.7
96.95889	6.3
98.20579	1.4
101.02321	1.1
102.12432	0.6
104.59422	0.6
107.04865	0.9
109.02836	4.5
117.69653	0.7
121.02839	0.8
123.00748	2.1
123.04408	0.6
124.01535	0.9
125.02315	1.1
135.04401	1.0
136.01527	1.3
137.02335	27.8
149.02344	1.2
150.03130	1.7
151.00269	12.4
151.03929	4.3
152.01013	2.1
152.04675	3.0
153.01781	0.7
161.02353	0.7
162.03188	1.2
163.03883	1.3
164.01088	2.6
165.01840	100.0
165.05507	3.4
166.02632	36.7
167.03409	4.5
175.03915	2.0
177.01822	2.4
177.05420	1.1
178.02611	1.1
179.03413	23.0
179.06990	0.9
180.04193	67.6
181.04976	43.7
182.05312	1.6
184.03656	1.7
187.03868	3.3
190.06322	1.2
191.03444	1.1
192.04251	1.6
193.04980	2.8
194.05801	4.4
194.07370	0.8
195.02884	3.0
195.06552	79.8
196.06935	2.7
202.06139	0.9
203.03375	0.6
204.04276	0.9
205.05000	4.9
207.06543	2.4
210.05290	12.2
218.05794	0.9
219.06679	0.7
220.07375	4.0
225.07629	60.9
226.08009	2.5
229.73344	0.9
268.20456	0.8
318.55475	0.8
339.08868	1.1
345.09641	0.9
359.11237	1.6
371.11157	0.9
372.12207	1.1
386.13602	0.9
387.10132	6.1
387.15164	6.6
388.11050	1.1
402.13153	5.4
403.13937	2.5
416.14786	3.1
417.15506	50.3
418.15936	4.7
565.17072	3.1
595.21820	46.6
596.22064	7.2
613.23096	0.9
625.22003	0.7
643.24017	20.4
644.24243	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	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
58.18928	0.2
59.01250	2.1
63.96096	0.3
64.46949	0.3
69.03307	0.5
71.01263	1.7
71.04889	12.8
71.58747	0.4
73.02815	0.3
78.98460	1.1
79.95609	2.1
80.96387	11.6
83.04927	0.6
85.02821	0.4
87.00746	0.5
94.97971	2.9
96.95900	0.3
97.06471	3.4
101.02352	0.5
106.97937	0.4
111.08064	0.3
121.02842	0.7
122.03265	0.3
122.97462	0.6
123.08010	0.3
125.02387	0.4
125.09585	0.4
127.03867	0.4
133.06531	0.4
134.07269	0.3
134.97430	0.8
135.08049	0.4
136.58141	0.3
136.99030	0.4
137.09639	0.7
138.54843	0.3
144.22791	0.2
146.47923	0.2
148.99078	0.8
152.98520	1.1
163.11224	0.3
164.98546	2.0
165.12692	0.6
175.14900	0.7
179.10666	0.3
181.12245	1.1
187.75912	0.3
191.14290	0.3
197.11768	0.4
201.11304	0.3
206.99681	0.5
207.13898	1.9
209.11734	0.5
219.13785	1.7
225.00710	3.4
235.17020	2.5
247.20670	1.5
249.14708	0.3
253.09309	0.8
273.18604	1.0
275.65265	0.3
277.21689	7.2
278.22101	0.9
291.19647	100.0
292.19980	8.0
483.15564	0.4
548.84302	0.3
709.20593	0.3
761.37927	0.5
805.40399	11.7
806.40613	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	801.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38246	4.2
59.01260	7.3
59.20971	3.7
61.98700	100.0
71.01259	6.4
71.59827	7.2
78.98465	8.6
79.95607	7.2
80.96387	55.6
94.97984	8.6
96.09086	4.6
99.00808	4.5
101.02369	5.2
132.55086	4.0
134.16751	4.2
134.97479	6.2
153.98969	4.7
164.98557	7.3
169.01309	6.4
186.01659	5.2
201.11247	29.1
209.11736	53.3
225.00729	15.1
227.12781	7.8
235.08179	6.4
253.09282	9.5
277.21674	75.6
278.22006	8.7
329.36087	5.1
801.36902	47.5
802.37323	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	801.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35144	3.3
59.01244	6.9
61.98699	100.0
65.32655	3.2
71.01239	9.2
71.59548	6.2
75.00749	12.1
78.95774	8.1
79.95615	6.6
80.96400	38.1
94.97947	10.8
99.00748	5.3
100.55058	3.6
103.00240	6.2
109.06586	4.2
164.98532	7.6
169.01306	13.2
186.01544	6.6
201.11340	7.2
209.11734	26.8
210.11987	4.3
210.92284	3.9
225.00638	16.1
235.08344	6.8
253.09410	4.9
277.21695	44.5
278.22107	5.2
447.31421	4.4
801.37177	33.6
802.38019	7.1
809.32092	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	802.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85300	1.0
59.01244	31.3
59.34858	1.1
71.01247	22.9
72.99173	2.0
73.02814	17.7
73.07472	0.9
83.01240	3.8
84.87329	1.0
85.02821	4.6
87.00765	1.8
89.02316	8.4
96.95885	10.7
97.10549	1.0
99.00786	1.4
101.02311	17.1
101.02913	1.7
106.06508	4.5
108.70551	1.0
113.02303	6.4
119.03387	4.5
122.05994	3.2
134.06010	34.0
144.78125	1.1
152.07077	7.2
158.02339	1.0
161.04549	1.3
162.05521	1.3
170.91798	1.1
172.73557	1.1
186.11101	0.9
190.05040	4.2
191.05507	2.2
197.07082	1.2
213.10356	1.9
225.06665	1.2
225.10272	1.3
237.06554	2.7
237.10284	8.3
238.07130	2.1
239.08147	2.5
250.07251	1.3
251.08203	3.6
252.08870	1.9
253.09805	9.2
255.06587	2.4
257.52682	1.0
263.08298	1.9
265.06161	4.5
265.09738	4.3
266.06955	18.2
267.07431	1.3
270.08893	2.9
271.09671	1.7
278.06995	6.5
279.07712	2.8
280.08475	2.3
281.09299	77.5
282.09647	6.4
293.09320	40.0
294.09790	4.1
296.11215	5.3
301.10727	2.2
307.10971	1.5
313.11990	9.5
314.12415	6.2
325.11926	1.8
355.04727	1.2
356.13693	2.1
400.16599	2.6
428.16183	3.8
580.22632	1.5
606.23981	2.0
650.23529	100.0
651.23694	15.9
682.26025	16.8
683.25928	3.7
694.22461	7.6
695.22363	2.1
726.25134	63.2
727.25500	14.4
758.27673	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	801.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
58.00463	0.9
59.01247	7.3
62.40362	0.5
65.26561	0.5
65.31801	0.5
69.28346	1.2
69.28676	5.9
71.01253	10.8
72.92250	0.5
72.99184	1.0
73.02808	3.5
75.03727	0.5
75.81267	0.5
78.95781	0.6
79.95606	6.3
80.96413	0.6
83.01244	1.7
85.02822	4.9
87.00742	1.3
93.03320	3.5
95.01270	0.9
95.95100	2.9
96.95888	100.0
97.02866	0.6
98.19768	1.3
98.95480	0.6
99.00751	1.5
101.02312	6.6
106.04106	4.1
107.04909	15.5
108.02056	2.4
108.05223	1.1
112.98707	0.7
113.02322	4.5
116.08436	0.7
119.03422	0.8
119.04919	0.9
121.02892	0.6
123.04389	7.5
131.04903	1.0
132.02084	4.3
133.02834	11.9
135.04387	2.0
147.04437	0.5
149.05977	1.1
150.03094	1.0
151.03906	2.7
161.02402	0.7
161.04488	0.6
165.05486	7.9
175.03854	1.2
179.03384	0.8
193.04990	18.9
194.05367	0.5
217.12296	1.0
241.00142	0.6
245.11751	0.8
261.48962	0.6
274.40039	0.6
487.12125	0.7
549.75922	0.6
703.40155	0.6
801.22754	54.3
802.23224	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	801.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37929	0.9
59.01250	88.3
60.01573	1.2
61.98690	1.3
64.55346	0.7
68.09898	0.8
69.03304	0.8
70.23315	2.8
71.01251	13.6
72.96288	0.8
73.02815	7.9
75.56467	0.7
76.56851	0.8
79.95609	1.3
80.96387	8.1
83.01251	3.0
85.02825	6.4
87.00753	1.4
89.02289	1.9
93.76091	0.8
94.97939	1.5
95.01232	1.0
96.95864	6.3
97.02857	0.8
98.92380	0.8
99.00727	0.8
101.02316	16.9
112.34407	0.9
112.98728	0.9
113.02333	5.8
119.03380	0.9
119.04877	1.0
125.02338	1.5
127.96847	0.9
129.88846	0.8
131.03387	1.0
134.05977	1.0
135.04344	1.0
143.03363	1.6
159.02856	0.9
160.03838	1.1
161.04449	5.0
164.98543	1.6
190.04889	1.3
199.24983	0.8
216.99916	0.8
225.00667	2.2
241.09645	0.8
261.11176	4.0
283.11133	1.3
385.66403	0.9
405.26654	0.9
423.27664	10.2
449.25427	5.4
467.26483	13.4
468.26743	1.8
491.26642	4.4
509.27524	100.0
510.27856	12.6
551.28442	7.9
769.27124	1.1
801.36389	7.8
827.07776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26915	0.5
59.01249	2.5
69.03316	0.7
71.01258	1.9
71.20391	0.5
71.58784	0.8
72.99202	0.8
79.95616	2.5
80.96410	2.9
85.02834	1.0
91.05431	0.9
93.03351	1.6
96.95889	21.6
101.02327	1.8
107.04931	2.8
113.02359	1.0
117.03350	11.3
119.04919	65.1
120.05248	3.0
123.04411	1.3
125.02454	0.5
133.02843	3.5
134.03636	5.2
135.04419	100.0
136.04768	3.0
145.02859	58.0
146.03186	1.9
151.03918	1.2
159.04424	0.6
159.08060	2.0
161.02357	6.2
161.93893	0.6
165.05481	1.0
171.21654	0.5
175.03978	0.6
191.05476	1.4
200.07185	0.6
202.08742	0.8
225.00629	0.9
229.14836	0.5
313.19296	1.3
348.05850	0.6
353.18842	2.5
356.19806	3.4
372.19336	1.1
373.22455	0.9
389.22079	1.7
396.18942	0.8
399.20340	9.1
400.20630	0.9
415.19919	2.1
457.40991	0.5
459.22910	2.4
502.23227	3.1
507.48486	0.6
519.26001	2.2
524.05652	0.6
535.25964	0.5
545.24115	12.1
546.24316	1.8
639.32068	1.6
655.31396	5.9
656.31293	0.9
665.29785	18.5
666.30219	2.8
681.29608	6.5
682.30328	0.8
801.22632	4.0
801.35181	50.4
802.22650	1.1
802.35437	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	797.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.2
59.01257	1.4
71.01270	0.4
71.58461	0.3
79.34962	0.2
79.95602	3.2
87.00774	0.3
96.95891	100.0
97.95834	0.4
98.95481	0.6
101.02292	0.4
103.00240	0.2
135.04407	0.2
138.97032	0.3
153.93436	0.2
184.03931	0.2
191.05495	0.3
200.08438	0.2
215.10756	0.2
259.01276	1.8
279.12289	0.4
293.10184	0.2
412.08020	0.2
431.22314	0.3
441.17520	0.2
449.23260	0.2
505.55289	0.2
519.20392	0.5
537.21381	2.5
538.21796	0.2
555.22412	1.7
635.18018	4.7
636.18451	0.8
797.23395	1.0
798.23340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01221	0.6
63.26224	0.5
70.13528	0.5
70.89103	0.4
71.01270	0.5
71.57465	0.7
79.95598	3.2
87.00739	1.6
96.95885	100.0
101.02373	0.5
106.14845	0.5
160.05200	0.5
227.76405	0.5
259.01315	2.3
361.21585	0.9
405.20474	1.1
537.21198	1.0
555.22266	1.3
600.03760	0.5
635.17987	8.1
704.46075	0.5
797.23212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	10.9
72.99193	1.6
73.02823	1.7
78.95782	1.6
78.98452	6.8
79.95612	13.3
79.99835	1.3
80.96388	78.2
81.03306	1.9
85.02830	2.1
87.00724	2.8
90.42355	1.5
94.97956	18.8
97.02821	2.3
98.19742	3.2
101.02325	2.3
106.97953	2.2
122.97453	5.4
125.02332	3.5
127.03967	1.6
134.97473	5.5
148.99020	5.9
152.98506	6.4
164.98547	15.1
176.50009	1.7
206.99535	2.6
225.00688	24.8
243.26688	1.5
255.23213	1.8
279.22723	2.0
285.87936	1.9
537.26971	1.7
541.19629	2.0
587.62134	1.8
779.39313	1.8
797.43536	100.0
798.44293	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	797.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.9
58.00469	0.8
59.01249	100.0
60.01582	0.8
69.03332	2.9
70.73080	1.3
71.01251	26.6
72.99189	3.2
73.02819	8.9
75.00739	1.2
81.03355	1.6
83.01255	6.4
84.83026	0.5
85.02821	17.5
85.99953	1.0
87.00743	5.1
89.02314	5.1
95.01260	4.4
96.95891	8.7
97.02829	4.2
97.06474	0.5
98.95492	1.2
99.00755	3.6
100.75912	0.5
101.02318	16.3
107.04950	0.8
111.00758	2.8
112.01559	1.2
112.98672	5.8
113.02323	16.4
119.03411	2.1
124.01569	2.5
125.02333	11.9
129.01869	0.6
130.54060	0.6
135.04391	1.1
141.01872	0.6
143.03380	4.6
143.10678	0.7
149.00809	1.5
152.41750	0.5
159.02878	1.3
161.04469	3.7
187.07703	0.7
197.15323	1.0
203.16386	0.7
281.24875	0.6
299.26077	1.6
345.30026	6.3
346.30716	0.9
377.21793	0.6
383.59219	0.6
489.34293	8.8
490.34970	0.9
507.35385	5.0
508.35831	1.1
585.36725	0.7
597.36908	1.9
603.37616	0.8
615.38098	1.6
622.69470	0.6
633.38501	27.7
634.39197	4.0
638.01007	0.7
651.39575	45.2
652.39850	7.4
669.40582	12.4
670.41522	1.9
693.40692	18.0
693.51971	1.2
694.41449	3.1
711.41730	21.5
712.42035	4.9
753.43280	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	795.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84042	0.5
59.01248	100.0
60.01569	1.2
65.82876	0.5
68.85773	0.6
69.32876	5.3
71.01257	2.4
73.02880	0.5
77.80284	0.5
78.31158	0.5
87.00771	1.0
89.02324	2.1
96.95910	0.9
97.02834	0.5
100.55662	0.6
101.02332	1.5
113.02339	1.2
125.02369	0.7
141.01591	59.3
142.01949	0.8
143.03418	0.8
171.10179	0.7
197.04565	0.6
235.08171	0.9
246.22551	0.5
255.23225	5.8
277.21771	1.4
337.23599	3.3
397.13452	9.4
398.14014	0.6
415.14688	2.8
419.11615	2.6
437.12665	3.3
469.07108	0.8
552.82697	0.5
653.38086	1.7
675.36139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85733	0.4
57.03311	1.5
58.00469	1.7
58.10764	0.3
59.01249	23.9
62.59988	0.3
64.58084	0.3
67.01735	0.6
67.04196	0.3
68.99685	1.5
69.03293	0.4
71.01252	25.9
72.99171	2.5
73.02818	2.0
75.00307	0.5
75.00743	14.6
78.95770	2.1
83.01250	2.6
85.02818	15.0
85.99929	0.4
87.00751	4.8
89.02312	13.5
95.01262	4.5
96.95871	0.7
97.02821	0.4
99.00751	14.3
101.02314	13.1
112.01536	1.1
113.02321	11.7
115.00285	0.4
119.03381	2.8
129.01819	0.5
131.03412	0.6
139.00244	1.6
139.01230	0.3
143.03374	0.5
152.99467	1.0
157.01299	2.0
161.04468	1.5
199.03471	0.4
206.19493	0.4
211.13252	0.4
342.93781	0.4
368.69232	0.4
374.99216	0.6
407.33231	0.4
457.36133	0.7
465.22400	0.5
483.24039	0.4
795.45300	100.0
796.45648	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	795.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02039	0.8
57.03320	1.3
58.00462	1.0
59.01247	26.1
68.99683	1.5
70.63327	2.4
71.01247	22.6
72.99159	2.2
73.02814	3.0
75.00742	13.6
83.01245	2.5
85.02816	18.8
87.00735	2.9
89.02315	10.5
92.02053	0.7
95.01256	4.4
99.00751	14.0
101.02319	11.2
113.02326	12.5
119.03374	3.1
125.50322	0.7
139.00229	2.1
145.66086	0.7
146.60558	0.8
157.01323	1.4
161.04514	1.1
192.88501	0.7
303.40720	0.8
391.29984	0.8
795.45258	100.0
796.45557	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	797.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01262	0.9
61.04255	0.2
65.75461	0.2
69.04362	0.2
69.34895	1.7
71.01247	0.4
79.95606	3.5
85.02821	0.2
87.00755	0.4
89.02351	0.4
93.03319	0.2
96.95891	100.0
97.95837	0.5
98.20574	0.3
98.95475	1.6
98.96274	0.3
101.96980	0.2
108.02045	0.5
108.60253	0.2
126.44552	0.2
132.41341	0.2
135.04385	0.3
138.96977	0.4
139.92497	0.2
167.03418	0.5
171.08157	0.3
175.03926	0.2
191.05591	0.3
195.06459	0.3
215.10832	0.3
259.01251	0.8
272.98773	0.2
346.22549	0.2
351.21326	0.2
361.21664	0.3
405.20374	0.3
449.19632	0.7
478.06805	0.2
570.48181	0.2
586.13971	0.2
635.18030	12.3
636.18384	1.8
797.23309	4.8
798.23553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4375
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03320	1.5
58.00475	0.8
58.74389	0.6
59.01249	17.0
61.98700	0.7
68.99680	1.0
69.39774	5.8
71.01250	22.9
71.24572	0.7
72.99165	2.4
73.02815	1.5
75.00349	0.9
75.00740	10.2
78.95760	0.9
83.01255	3.3
85.02821	11.6
86.89211	0.6
87.00736	2.4
87.94633	0.6
88.68449	0.6
89.02312	7.3
91.55925	0.6
95.01279	3.5
96.95866	2.0
99.00749	14.2
99.56218	0.6
101.02306	9.3
101.45519	0.6
112.98684	2.7
113.02322	7.9
119.03378	2.2
128.45200	0.7
129.01837	0.7
139.00201	1.1
154.79904	0.7
157.01402	1.0
275.09378	0.7
447.62497	0.7
453.33511	4.3
454.34256	0.9
455.35226	4.2
497.35889	0.8
523.37842	2.2
537.35834	1.7
551.37146	1.0
569.38269	4.3
587.39600	1.2
613.37201	3.5
623.66956	0.7
793.43732	100.0
794.29468	1.3
794.43988	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	795.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.8
60.49594	0.2
65.00195	0.4
69.85247	1.4
71.01275	1.3
73.02827	1.4
79.95576	0.4
83.01260	0.7
85.02828	0.4
89.02306	0.4
96.95892	6.2
98.20425	0.5
101.02337	1.3
107.01263	1.0
108.02038	0.3
113.02319	0.4
133.02846	5.2
134.03175	0.3
149.02332	1.3
151.00281	2.7
161.04451	0.4
167.03519	0.3
175.03958	2.2
185.06139	0.3
189.05536	0.3
199.03920	1.7
201.01912	0.4
213.05380	0.3
217.04987	1.2
241.05009	0.9
242.02191	0.3
243.03015	0.4
257.04315	0.3
284.03308	0.5
285.04041	100.0
286.04410	7.4
334.14917	0.2
356.13382	0.2
447.09329	12.8
448.09659	1.6
648.48822	0.3
735.04749	0.3
741.75256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.8
71.01250	1.1
72.19419	0.4
78.95776	0.5
79.95621	1.8
96.95887	100.0
97.95856	0.5
98.19787	0.7
101.02336	0.5
103.00302	0.3
104.96434	0.4
106.27825	0.4
209.04460	0.5
226.13875	0.4
261.11340	0.7
339.05313	2.5
349.95377	0.5
633.16327	0.9
795.22382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
56.21898	0.2
59.01249	1.7
61.98714	0.3
67.88543	0.2
70.30527	0.7
71.01249	0.6
72.99184	0.2
73.02813	7.7
74.02335	0.3
75.00739	3.8
87.00764	0.5
89.02303	0.7
90.93232	0.2
92.92772	0.6
97.34942	0.2
99.00750	4.0
99.92453	9.4
100.92480	0.2
101.02322	0.2
107.91510	0.2
108.32292	0.2
108.92287	0.5
114.93320	0.4
115.00301	0.2
115.03913	0.3
115.99773	0.2
116.03457	0.9
116.92737	100.0
116.97095	1.6
117.01814	13.3
117.02821	0.2
117.03024	0.3
117.05429	1.6
117.92741	5.3
125.02339	0.3
168.96257	0.2
174.33971	0.2
248.86891	0.2
261.00864	0.2
268.15497	0.2
271.54395	0.2
277.21732	0.7
372.53049	0.2
397.13440	1.2
415.14954	0.3
455.05090	1.3
733.27094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.6
66.46781	1.1
71.01252	20.0
85.02773	1.2
89.02322	2.2
95.38439	1.1
99.00784	2.0
101.02318	4.1
113.02321	2.0
125.09597	1.7
127.11172	1.4
132.94838	1.1
159.21986	1.2
161.04517	1.2
163.11209	1.5
165.60538	1.2
171.10178	14.2
181.08713	1.5
181.12251	3.4
199.09720	8.6
199.13307	2.2
201.11241	23.9
207.10268	8.5
225.11241	17.8
232.04228	1.3
235.08202	10.6
243.12302	1.8
253.09239	11.2
277.21707	100.0
278.21970	7.1
436.60715	1.3
461.20349	2.1
485.97284	1.2
695.40430	2.2
721.41479	4.5
739.42590	5.8
757.43610	13.9
758.44452	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	793.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99459	3.1
59.01251	12.4
71.01247	16.9
71.58481	1.4
71.58842	2.0
84.23753	1.4
85.02821	1.8
87.00716	2.2
89.02309	1.8
99.00736	2.1
101.02325	4.5
109.06464	2.2
113.02347	2.4
125.09597	1.7
161.04384	2.9
163.11182	2.8
171.10178	15.2
181.08661	3.4
181.12186	1.6
199.09724	14.0
199.13281	2.4
201.11247	15.1
207.10193	11.3
223.09650	1.9
225.11293	15.5
235.08272	6.9
253.09196	9.8
277.21722	100.0
278.22104	7.1
417.17703	2.8
426.24429	1.8
461.19919	2.3
560.32574	1.9
695.40210	5.0
721.41473	7.7
739.42487	2.7
757.43701	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	793.4384
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03324	7.1
59.01259	4.8
67.01761	0.9
68.99678	1.6
71.01257	6.1
71.46903	0.3
71.57988	0.5
72.99183	3.7
73.02822	0.9
75.00748	49.3
76.01099	0.5
83.01257	1.6
84.02043	0.8
84.79902	0.3
85.02825	31.3
86.03179	0.5
87.00743	3.1
88.98664	0.4
89.02327	0.9
95.01275	3.9
96.95857	0.9
97.02802	0.5
99.00771	2.6
101.02329	0.6
102.52662	0.3
111.00752	0.7
112.01555	0.8
113.02329	13.4
115.00269	1.3
116.01028	0.8
117.01821	1.4
119.04913	0.9
129.01816	1.1
135.71494	0.3
157.01326	1.2
175.02435	1.0
200.57948	0.3
437.34192	0.7
444.25662	0.4
455.35330	5.7
456.35730	1.0
497.36630	1.9
509.36258	0.9
555.36279	0.4
569.38519	9.3
570.38776	1.7
587.39575	1.3
613.37457	1.3
631.38464	9.2
632.39087	1.8
775.42517	0.8
780.85468	0.4
793.43774	100.0
794.44159	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	793.4382
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03322	2.0
58.00470	1.6
59.01252	23.9
61.98700	0.2
67.01756	0.7
68.99686	2.1
69.03337	0.4
70.24460	0.5
70.64977	0.2
71.01255	27.5
72.01589	0.4
72.99183	2.4
73.02818	2.1
75.00746	13.3
83.01248	2.7
85.02821	11.6
85.99976	0.4
87.00752	2.4
89.02317	10.3
93.03327	0.4
95.00697	0.4
95.01269	4.9
95.45785	0.2
96.95911	1.1
97.02833	0.7
99.00758	15.5
100.01088	0.4
101.02320	10.9
101.09198	0.2
102.02671	0.2
111.00746	0.6
112.01540	0.6
113.02331	11.6
114.02628	0.4
115.00247	0.6
117.03367	0.2
119.03400	2.5
119.04879	1.2
125.02308	0.4
129.01848	0.3
131.03415	0.3
135.04376	0.6
139.00256	1.1
143.03351	0.4
145.02843	0.7
151.03830	0.3
157.01303	1.5
161.04483	1.1
170.80939	0.2
178.72949	0.2
191.05551	0.3
222.84772	0.2
232.94859	0.2
239.04776	0.3
255.93878	0.2
279.07034	0.2
289.05524	0.3
367.38168	0.2
407.33249	0.3
437.34201	0.9
438.34854	0.2
439.32086	0.5
449.49341	0.3
453.33707	4.7
454.34003	0.7
455.35269	4.8
456.35623	0.7
469.83902	0.3
481.36850	0.5
497.36322	1.0
523.37946	1.8
525.35498	0.4
537.35748	1.8
538.36078	0.2
551.37244	0.5
567.36432	0.3
569.38434	3.3
570.38507	0.7
587.39532	1.1
588.39758	0.3
613.37524	4.7
614.37463	1.1
631.38098	0.3
731.43939	0.8
763.33240	1.0
763.84003	0.6
793.43762	100.0
794.44153	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	791.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40603	1.4
56.84956	1.6
59.01258	2.0
71.01250	4.3
71.57206	2.2
72.99162	3.2
75.00736	2.7
78.95782	4.9
80.74696	1.7
85.02816	2.7
90.97012	5.3
92.40517	1.6
96.95900	1.9
113.02337	3.1
116.98606	21.2
118.96519	22.0
132.98073	3.4
140.98553	1.7
142.56993	1.5
142.96548	2.0
144.98087	14.7
146.95995	3.0
152.99522	2.0
160.97569	3.0
168.98079	3.5
170.96107	2.4
184.97723	2.0
188.97006	3.3
230.98077	2.3
272.99323	3.9
307.70767	2.0
539.34705	2.0
583.33630	2.0
633.39874	4.6
671.34723	28.7
672.34998	3.3
715.33759	16.7
716.33917	3.1
731.36829	100.0
732.37390	15.9
791.42877	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	791.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01319	7.7
69.59650	30.2
69.60078	32.9
87.12881	9.2
113.71285	7.6
152.99535	10.1
164.16328	7.7
209.11777	100.0
227.12917	10.4
277.21719	87.3
296.31311	9.6
342.33694	8.8
791.41980	14.5
793.71747	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	792.5756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23239	0.1
70.60506	0.1
70.60855	0.4
71.05884	0.1
78.95772	6.5
113.09584	0.4
152.99487	1.2
165.12802	0.2
168.04231	0.8
169.12282	0.8
183.13820	32.3
184.14163	1.7
224.06865	2.3
242.07967	0.5
255.23256	27.9
256.23608	2.6
277.21835	0.2
279.23279	5.9
280.23541	0.7
295.22821	0.4
297.24323	100.0
298.24667	9.7
336.50690	0.1
480.30914	23.4
481.31219	3.3
645.58783	0.1
733.50171	0.2
817.81421	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.0
59.63279	0.1
61.98710	0.4
71.01241	0.4
71.57642	0.2
73.02813	3.1
75.00740	1.6
75.16462	0.2
83.91773	0.2
87.00758	0.4
87.04390	0.2
89.02336	0.4
90.93227	0.2
92.92784	0.9
99.00752	1.8
99.92458	10.0
100.92477	0.4
101.02269	0.2
107.91509	0.2
108.92282	0.3
112.98666	0.3
114.93287	0.4
116.03435	0.6
116.92742	100.0
116.97129	10.0
117.01820	6.4
117.05454	0.8
117.92752	4.1
125.50491	0.2
147.85782	0.2
154.28737	0.2
195.53851	0.2
228.52620	0.2
250.63542	0.2
277.21707	0.7
335.17615	1.2
341.26328	0.2
397.13531	0.7
453.04962	0.2
455.04941	1.3
455.97250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44178	3.4
59.01253	7.6
61.17290	3.5
61.54866	3.5
61.98700	11.5
65.70823	4.4
68.99442	71.6
69.03324	7.7
71.01257	34.9
72.99170	4.7
74.07639	3.3
74.95241	6.6
78.95773	6.9
87.92406	13.4
90.94732	7.0
95.95119	6.0
99.00742	7.2
102.92238	4.7
103.91895	62.0
104.91985	5.8
104.92680	55.9
106.94250	4.7
111.00736	4.4
112.98451	83.2
112.99802	12.2
113.02339	33.4
113.03123	3.8
113.03455	4.8
114.94770	32.4
118.94267	5.0
123.94542	7.0
130.94301	16.3
132.95844	5.2
140.96303	8.7
142.94304	9.1
153.01808	4.9
156.95810	10.7
158.93787	20.9
168.95831	5.9
171.94548	12.6
172.95334	26.2
184.95358	22.5
198.96877	9.0
199.94026	8.2
200.94850	8.8
208.54570	3.6
232.97571	5.7
257.11472	3.5
273.25681	3.7
277.21713	11.6
304.99564	5.0
307.01321	5.6
320.99457	5.1
335.00830	3.9
336.98660	11.8
339.00049	4.6
377.01758	5.7
409.00763	36.3
432.50681	3.9
451.05435	20.2
469.06464	49.5
470.06543	4.8
483.04410	84.1
484.04672	5.6
491.67102	3.5
501.05591	16.3
501.56949	4.2
729.27747	100.0
730.28564	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	789.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.9
61.98698	4.0
64.61749	2.1
68.99441	100.0
69.03329	13.3
70.18282	9.6
71.01255	33.5
72.99187	5.9
74.95252	8.3
75.00760	4.3
82.94045	2.4
85.27214	2.0
87.00768	3.9
87.92404	12.4
88.93189	3.1
90.94750	3.9
95.95093	2.9
96.00829	3.4
99.00768	7.9
102.92238	3.7
103.91904	63.1
104.92683	47.2
105.93430	2.4
106.94244	6.8
111.00759	2.8
112.00273	2.6
112.03924	2.6
112.98443	96.6
112.99704	16.9
113.02323	47.4
113.03456	4.0
114.94768	45.1
118.94249	3.4
123.94534	7.6
128.91110	2.3
128.96332	5.5
130.94260	17.9
140.96327	7.1
142.94276	13.1
144.95837	6.8
146.93794	2.9
147.94585	2.3
154.94394	2.5
156.95840	9.1
158.93776	18.5
168.95917	5.1
170.97417	6.5
171.94576	10.3
172.95326	23.1
184.95346	29.5
185.96048	2.6
198.96974	11.7
199.94141	5.3
200.94833	9.5
212.94945	4.5
214.96385	4.5
216.98099	3.6
226.96561	4.2
230.96036	3.0
232.97496	7.6
258.99017	4.7
277.21860	11.4
289.00229	2.6
291.01660	4.7
306.98151	2.3
307.01242	11.5
320.98956	5.6
332.99194	2.3
336.98587	8.7
349.02277	2.7
377.01758	4.8
409.00787	25.4
451.05374	20.1
452.05533	3.2
469.06509	42.8
483.04401	69.7
484.04913	4.2
501.05341	9.9
543.79413	2.5
729.27924	72.9
730.28278	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	787.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.4
57.02625	1.3
57.03315	2.0
59.01247	38.8
69.03329	2.1
69.59688	10.0
71.01251	22.7
72.99181	1.8
73.02821	8.7
76.00891	1.4
83.01257	5.5
85.02827	14.9
87.00761	3.7
89.02312	5.4
92.46069	1.5
93.03329	2.7
95.01259	4.6
98.20489	3.0
99.00719	1.5
101.02309	22.7
109.02818	2.1
111.00796	2.0
112.01541	1.5
113.02321	10.5
116.65503	1.5
116.80239	1.6
119.03426	1.7
121.02833	7.5
122.03619	13.9
123.04374	1.8
132.02028	2.4
133.02841	11.0
134.03601	3.7
136.01566	1.8
147.04385	2.2
149.02342	52.6
149.06009	5.7
150.03123	98.7
162.03110	1.8
163.03885	3.1
164.04668	12.0
165.05475	100.0
166.06284	9.5
166.07481	1.4
167.66306	1.5
179.05573	1.5
180.04210	8.2
181.08612	11.2
195.06551	30.0
314.11465	8.3
315.12231	2.4
325.12866	12.4
329.13943	25.5
330.14340	2.2
343.13986	16.2
385.15213	2.3
389.62534	1.5
458.15918	2.1
473.18079	37.2
474.18121	2.8
491.19235	63.3
492.19455	4.3
521.20319	8.7
533.20319	38.2
534.20148	3.6
539.21301	60.0
540.21497	5.2
581.22345	92.1
582.22845	11.5
706.87134	1.9
764.13507	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	788.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10469	2.0
59.01251	44.2
69.03352	2.4
71.01250	28.2
71.57813	2.1
71.58173	2.9
72.07725	1.8
72.99166	2.3
73.02809	24.9
79.95609	2.3
83.01267	10.2
85.02814	7.5
87.00740	3.8
89.02322	16.0
95.01254	2.7
96.95896	27.0
97.16045	2.1
99.00786	2.5
101.02320	20.5
106.06510	7.9
112.03929	2.7
113.02290	11.9
116.04951	12.7
118.68902	2.0
119.03378	6.4
122.05975	5.6
123.03136	7.4
124.03901	3.6
132.04446	7.7
134.06003	78.0
135.06328	2.3
138.05501	16.1
152.07094	10.9
158.02399	2.9
160.03943	44.6
161.52507	1.9
164.07034	7.5
172.03973	2.8
176.03400	2.5
176.07013	2.8
183.22395	2.1
189.32727	2.0
190.05023	19.4
192.06583	100.0
193.06918	3.0
204.06552	7.8
255.11272	4.5
267.11526	2.5
281.09268	7.7
293.09207	6.6
296.11349	4.7
305.09561	2.9
307.10904	11.1
314.12378	7.0
337.11932	4.5
339.13470	33.0
341.06903	4.7
469.15631	2.6
487.17218	2.2
501.18954	9.2
519.19757	11.1
529.18268	38.2
530.18292	3.3
559.19324	8.9
561.20868	84.0
562.21198	11.9
624.25818	3.6
650.23425	11.3
668.24554	33.3
669.23914	4.8
682.26074	4.2
712.23456	16.1
726.24951	12.5
744.26257	26.1
745.26282	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	788.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
59.01252	36.4
66.62912	0.9
69.03345	1.8
71.00887	1.6
71.01254	25.6
71.58231	0.9
71.58685	1.5
72.99177	1.3
73.02816	21.6
83.01252	6.4
85.02821	5.0
87.00739	2.3
89.02312	13.0
95.01253	2.2
96.95905	4.3
99.00751	2.7
100.49976	1.0
101.01687	1.3
101.02322	18.5
104.04933	1.6
106.06512	5.9
107.03640	1.0
110.02374	2.1
112.03922	2.3
113.02319	6.9
116.04951	11.3
119.03385	3.3
121.59668	0.8
122.06020	5.0
123.03165	7.8
124.03918	3.6
125.02366	1.6
130.02866	1.2
132.04460	5.1
134.06017	75.8
135.06386	2.1
138.05501	18.5
140.07040	0.9
146.06044	1.0
150.05550	1.7
152.07088	10.3
158.02367	3.0
160.03954	30.0
161.04350	2.2
162.05399	1.1
164.07076	7.8
172.03949	2.5
176.03407	2.0
176.07089	1.4
181.80943	1.0
184.06078	2.8
190.05011	18.6
191.05586	1.4
192.06592	100.0
193.06917	2.8
204.06577	6.2
205.06886	0.9
212.10713	1.7
218.08197	2.3
226.55917	0.9
228.06560	1.2
228.10176	1.1
237.80110	0.9
255.11325	4.1
264.08701	1.0
267.11414	1.5
269.84073	1.1
277.09198	0.9
279.11423	2.6
281.09235	4.0
291.08118	1.0
292.08411	1.1
293.09299	2.3
295.10953	1.3
296.11337	6.0
305.09152	1.1
307.10901	7.5
311.13892	3.6
314.12463	6.1
337.11951	2.6
339.13477	35.4
340.13882	2.3
353.06631	1.8
356.13382	2.6
357.14401	1.4
375.16968	1.0
451.32697	3.1
452.32928	1.5
487.17490	1.8
501.18832	7.8
502.19019	1.6
519.19855	11.5
520.20282	1.6
529.18256	25.4
530.18811	2.1
559.19299	7.4
561.20874	86.6
562.21033	9.1
624.25604	2.8
640.21600	1.4
650.23792	7.8
668.24530	19.4
669.24329	3.6
672.24225	1.8
682.26129	3.5
684.24194	1.5
694.21893	1.5
700.26624	1.7
712.23627	23.3
713.24121	3.0
726.25342	7.8
744.26300	22.9
745.26459	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	787.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
59.99560	0.1
71.01247	0.1
72.59703	0.1
79.95614	1.7
80.77686	0.1
96.95885	100.0
97.95819	0.4
101.60460	0.1
129.40694	0.1
184.39024	0.1
194.62459	0.1
289.80295	0.1
318.39108	0.1
339.05383	2.9
340.05728	0.3
485.58887	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04301	0.7
59.01253	4.5
61.98692	0.8
62.26822	0.7
71.01260	3.9
71.58659	0.8
72.99173	2.2
73.02840	1.0
78.95760	1.0
79.95602	5.4
80.96371	1.6
81.03349	1.0
85.02823	1.5
87.00767	1.0
89.02331	1.8
93.03341	1.0
95.01275	1.2
96.95892	100.0
98.95438	1.5
101.02340	1.8
106.04110	3.3
107.04921	3.8
108.02048	1.7
109.02239	0.8
109.02854	8.7
111.00723	1.9
113.02316	1.5
119.04941	4.9
120.05185	1.2
121.02856	1.6
121.06434	1.9
122.55135	0.8
123.00764	5.1
123.04409	5.5
124.01563	5.4
127.69569	0.8
133.02853	15.5
135.00783	1.0
135.04385	1.7
135.08009	0.9
137.02332	4.1
145.02829	2.1
147.04381	2.5
150.03084	1.1
151.03922	9.4
161.05983	1.2
163.03903	1.1
163.07509	1.2
165.05504	11.8
169.04939	1.0
173.09599	1.7
175.02454	1.6
175.03922	17.8
177.01813	1.3
177.05338	0.7
179.03525	1.2
181.01353	3.5
187.03975	1.1
189.05453	1.1
191.05582	1.3
193.04982	10.7
195.02940	3.3
197.09702	1.3
199.03946	0.9
203.03358	1.1
205.04956	1.8
209.57816	0.7
213.14975	1.0
215.03474	1.5
215.10802	1.2
217.04973	1.8
220.78329	0.8
221.06561	1.0
222.12639	0.7
223.06052	2.4
227.03432	1.0
231.03276	0.9
235.05971	1.0
243.02838	1.0
253.07121	6.4
271.02353	1.1
277.07407	0.9
283.02402	1.1
285.04236	1.1
289.03595	1.5
307.04657	2.8
321.06137	1.9
339.05441	1.0
375.06061	0.9
495.25351	1.3
550.97205	0.9
590.65894	0.9
787.19153	34.9
787.34332	1.9
788.19714	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	787.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00442	0.4
59.01250	2.7
61.98709	1.9
70.59873	0.9
71.01255	2.4
73.02821	0.9
78.95783	0.5
79.95606	4.5
80.96378	1.0
83.01246	0.6
85.02830	1.9
87.00746	0.7
89.02321	1.0
93.03340	0.7
95.01257	0.8
95.04902	0.7
96.20038	0.3
96.95886	100.0
99.00777	0.3
101.02312	1.5
106.04132	1.0
107.04903	3.7
108.02025	0.8
109.02827	1.0
112.98651	0.3
113.02326	2.9
113.84121	0.3
119.04927	0.5
121.02843	0.8
121.06479	1.2
123.04401	2.6
133.02834	4.0
135.08044	1.1
147.04343	0.4
151.03893	4.1
161.04454	0.7
163.03981	0.3
163.07613	0.7
165.05446	2.2
169.25986	0.3
171.08081	0.5
173.09630	1.0
175.03954	1.6
181.01364	0.8
193.04988	1.3
197.09627	0.6
215.10751	1.3
259.09763	0.4
265.05688	0.6
336.18970	0.3
339.05267	2.1
415.59335	0.3
787.19073	29.4
788.19116	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	787.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.6
59.01247	31.1
61.98695	7.2
71.01238	21.6
71.58911	4.8
73.84223	4.5
77.69794	4.0
78.95777	6.9
85.02846	7.4
93.03381	5.2
96.95890	100.0
101.02337	8.0
106.98884	4.5
107.04919	15.8
109.02834	5.0
112.98668	4.7
113.02345	6.0
117.03373	10.2
119.04906	19.0
125.02386	5.0
133.02864	7.6
135.04445	7.9
145.02884	20.6
149.00746	4.7
151.03937	36.6
159.04407	28.8
165.05460	6.1
177.05594	3.9
189.05469	8.8
191.05505	8.1
210.99561	8.8
215.07243	3.8
217.05006	5.5
299.02014	4.3
357.09836	5.1
667.31561	6.2
683.40240	12.8
701.41724	9.6
731.16266	5.6
787.18866	14.8
787.34711	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	786.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.3
59.01233	0.7
61.98693	0.5
71.57464	0.2
78.95771	8.9
96.95895	0.2
96.96765	0.2
97.26935	0.2
97.93771	0.2
107.31004	0.2
107.57867	0.2
125.09607	1.0
127.11166	1.3
141.12775	0.5
152.99471	1.5
168.04227	1.2
171.10162	0.3
191.05518	0.3
223.20584	0.4
224.06870	3.0
242.07970	0.6
251.20122	1.1
253.21786	1.1
267.19638	1.2
269.21194	100.0
270.21536	6.1
275.20016	0.6
277.21698	27.9
278.22055	1.6
293.21179	3.0
478.29251	0.4
502.29391	30.4
503.29648	3.5
727.45721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3552
Annotation	RA IV
Peak:m/z	Relative Intensity
58.72815	0.4
59.11441	0.4
59.79518	0.4
69.80739	2.9
93.03329	2.2
96.95900	1.4
98.20519	0.7
114.66406	0.4
117.03345	10.5
119.04908	100.0
120.05235	4.2
145.02846	57.9
146.03194	2.0
159.08070	2.3
174.98282	0.4
187.41780	0.4
201.07602	0.4
202.08643	1.1
217.12260	0.6
261.11288	1.0
313.19147	1.2
353.18771	2.3
356.19739	3.5
373.22440	0.7
396.19220	0.6
399.20349	7.5
400.20816	0.8
459.22891	1.9
502.23480	3.3
519.26416	1.5
545.24066	18.4
546.24158	3.0
639.31744	3.9
640.31818	0.9
665.29730	25.9
666.30188	5.8
785.35522	24.7
786.35590	6.6
786.48840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
59.28236	0.4
61.98697	1.6
68.73448	0.5
70.32700	1.7
71.01252	1.1
73.02828	0.7
78.95786	0.7
80.29094	0.5
89.02332	0.6
93.03328	2.4
96.95898	4.3
98.20589	0.6
101.02319	0.8
108.86112	0.6
112.98698	1.0
117.03347	11.0
119.04916	100.0
120.05257	3.1
121.02827	0.6
145.02856	53.1
146.03195	1.7
149.00848	0.6
159.08069	2.2
202.08598	1.2
313.19238	1.7
353.18674	2.6
356.19904	2.7
373.22278	1.0
396.19162	0.5
399.20313	6.9
459.22430	1.2
497.44754	0.5
502.23923	2.8
505.44489	0.5
519.26331	1.4
543.71802	0.6
545.24115	16.3
546.24347	1.5
639.32178	3.1
665.29785	29.5
666.30164	4.5
709.60480	0.7
785.35449	29.2
786.35870	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	785.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74131	0.4
58.53271	0.5
59.01248	1.9
59.01524	0.4
61.98694	1.0
69.69100	0.4
71.01251	1.0
71.12295	1.0
76.23354	0.4
78.95779	0.6
79.95613	0.6
85.02814	0.8
93.03352	4.8
96.00810	1.1
96.95885	7.3
98.95484	0.4
101.02283	0.6
107.05206	0.4
109.02804	0.6
110.12088	0.4
117.03350	9.2
119.04918	100.0
120.05232	3.3
121.14144	0.4
123.04424	0.6
125.02332	0.4
130.04173	0.6
131.04895	0.8
132.05699	1.5
133.02873	0.7
143.04877	0.6
145.02859	32.6
146.03175	1.2
150.03204	0.5
158.03627	0.9
159.04439	1.3
159.08014	0.6
165.05542	0.5
174.05562	0.6
175.03940	0.9
182.07292	0.4
188.07153	0.5
191.05550	1.2
209.06033	1.4
210.06810	57.8
211.07568	50.5
212.07947	2.9
219.13414	0.4
225.00787	0.6
247.04851	0.6
273.16043	0.7
278.18771	0.9
321.19202	2.6
370.21451	1.7
385.21948	0.5
387.23947	1.4
397.81497	0.5
399.20285	0.7
410.20901	1.2
413.21967	9.9
414.22116	0.9
424.22104	0.7
427.23364	1.7
428.24210	0.5
435.20309	1.3
453.21432	8.4
454.21594	1.1
467.22995	10.3
468.23465	1.5
479.22989	0.6
516.25104	1.0
533.27325	2.6
555.26251	4.5
556.27081	3.0
557.27057	0.7
559.25653	11.1
560.26050	1.5
573.27197	27.7
574.27411	4.1
574.99249	0.5
639.32184	0.6
665.29816	3.8
666.29968	0.8
679.31360	38.8
680.31714	7.2
785.35535	7.4
786.35962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46470	0.3
59.01244	0.6
61.98700	100.0
64.04497	0.2
69.65214	1.6
71.01257	0.7
73.02808	0.4
78.95781	0.3
78.98447	0.6
79.95620	0.9
80.96387	7.4
82.95963	0.4
85.02850	0.3
87.00739	0.2
94.97944	1.5
101.02396	0.3
106.97990	0.3
113.02341	0.3
122.97510	0.4
123.08057	0.7
134.97505	0.3
148.99031	0.3
152.98518	0.3
164.98506	1.1
186.47014	0.2
209.11711	1.1
210.12117	0.6
218.00014	0.2
225.00635	1.3
225.11375	0.2
253.09222	0.4
277.21710	5.2
278.22015	2.6
279.22540	0.3
289.18103	3.7
290.18375	1.8
353.93982	0.2
463.80225	0.3
786.37915	4.6
787.38965	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	783.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12023	0.2
59.01245	1.3
60.49250	0.2
71.01268	0.8
78.95808	0.5
89.02324	0.5
96.45208	0.2
97.06471	1.0
98.19644	0.5
99.08031	3.7
101.02306	0.6
108.29572	0.2
114.98981	0.3
119.03381	0.2
125.05972	0.8
143.07045	10.1
144.07413	0.4
152.99492	0.3
153.12714	0.4
161.04378	0.4
171.10095	0.3
171.11649	0.3
223.20686	0.9
225.22139	0.4
229.97353	0.3
233.19006	0.4
235.08122	0.4
242.39343	0.3
251.20145	9.3
252.20549	0.6
253.09258	3.4
267.19672	1.2
268.20108	0.3
269.21216	100.0
270.21555	6.9
277.21710	18.8
278.22144	1.5
335.31000	0.2
745.14771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
71.59229	0.2
71.59593	0.3
74.45207	0.2
76.54941	0.3
78.95767	0.3
79.95631	1.1
85.50997	0.2
96.95885	63.4
149.61243	0.3
179.45708	0.2
197.11758	0.3
265.14764	100.0
266.15112	4.4
319.51248	0.2
365.87683	0.3
411.21814	0.3
450.45828	0.3
782.35541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54363	0.2
59.01242	0.4
66.00964	0.3
76.03107	0.2
77.03863	0.6
78.95764	0.3
91.01777	0.4
93.03346	0.3
100.94474	0.2
104.79670	0.2
108.90063	1.3
119.04961	0.3
120.02061	0.5
121.02834	100.0
122.03176	3.0
136.01538	0.6
136.90807	0.2
165.01811	2.9
180.05728	0.5
181.04965	0.5
181.06494	2.3
191.03416	2.5
209.04478	67.7
210.04828	2.8
225.05519	2.6
260.80579	0.2
291.19571	0.2
313.07108	4.5
314.07367	0.3
357.06165	1.8
401.08728	10.1
402.09119	1.0
549.10205	0.5
575.11761	0.4
741.14716	0.4
756.01044	0.2
785.17328	0.8
786.17603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
61.98696	0.8
70.68924	1.4
70.69253	0.8
71.01248	6.7
73.02814	1.5
74.69817	0.6
78.95806	0.7
78.98457	2.3
79.95601	5.5
80.02538	0.9
80.96389	30.7
81.03329	1.1
83.01202	0.7
83.04910	2.9
85.02821	2.3
87.00758	2.1
89.02329	2.1
94.97964	7.1
97.02823	1.3
101.02315	3.9
106.97977	1.8
113.02322	1.5
119.03388	0.9
122.97439	1.3
125.02344	2.2
133.94115	0.6
134.97462	2.4
148.99054	1.7
152.98543	2.5
161.04434	1.4
162.94966	0.6
163.11180	2.0
164.98532	4.6
165.12756	0.8
206.99628	1.5
209.11766	77.4
210.12064	4.9
225.00674	8.3
227.12820	10.3
235.08194	5.7
253.09288	9.7
255.23143	1.1
277.21716	100.0
278.22040	8.7
346.59241	0.6
656.37848	0.7
739.38831	1.4
783.41980	35.5
784.42065	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	783.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.9
61.98706	3.4
63.96116	0.4
70.60143	1.0
71.01252	4.3
73.02824	1.3
78.98458	1.4
79.95609	3.0
80.02560	0.4
80.96393	17.4
81.03323	0.9
82.95972	0.3
83.01254	0.7
83.04895	2.8
84.02031	0.4
85.02827	1.7
87.00741	1.1
89.02315	1.7
94.97949	4.1
95.04879	0.4
96.95891	0.6
97.02832	0.8
99.00713	0.5
99.04419	0.4
101.02306	3.1
104.94529	0.4
106.97969	0.9
113.02341	1.0
119.03413	0.3
122.97475	0.7
125.02343	0.8
126.81479	0.3
129.82848	0.3
134.97443	1.1
145.04950	0.7
146.97572	0.4
148.99023	1.5
152.98535	1.7
161.04480	1.4
161.09595	0.4
162.10005	0.4
163.11211	1.8
164.98532	3.0
165.12752	1.3
181.12231	0.4
184.36815	0.3
189.12828	0.7
191.10687	0.8
198.71733	0.3
206.99641	0.7
209.11763	71.6
210.12119	4.3
225.00679	5.1
225.11250	0.6
226.11548	0.5
227.12849	9.2
228.13284	0.5
235.08170	6.8
236.08482	0.4
243.17442	0.7
253.09232	9.8
254.09480	0.5
255.23148	0.5
269.15451	0.7
277.21710	100.0
278.22067	11.0
279.22580	0.6
287.16568	2.7
410.54575	0.3
445.20700	1.0
513.30597	0.9
514.31366	0.4
537.27325	0.3
694.21283	0.4
739.39398	1.2
783.42004	29.5
784.42163	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	783.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.0
59.01251	5.8
70.24420	2.1
70.56813	0.6
71.01259	1.0
78.95750	0.6
79.95609	3.5
87.00735	4.1
93.58803	0.5
94.25177	0.6
96.95884	100.0
98.95464	0.8
101.02300	0.8
101.11217	0.5
121.02834	0.7
126.22528	0.5
137.02405	0.5
150.02942	0.5
166.02576	0.7
173.09621	0.8
175.11108	0.6
177.17458	0.6
179.07057	1.5
181.04936	1.8
191.05356	0.8
192.04440	0.6
217.12306	0.6
223.31187	0.5
227.12694	0.8
228.37724	0.5
265.27234	0.6
269.13959	0.6
278.45801	0.6
287.15094	1.9
345.25620	0.6
385.07159	1.3
417.15427	3.7
491.21405	0.6
494.34290	0.6
497.24771	0.8
541.24243	2.9
610.09424	0.7
703.29407	3.1
781.88940	0.6
783.25342	8.0
783.38208	0.8
784.25690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
58.00467	0.4
59.01247	85.6
60.01575	0.9
60.99179	0.3
69.03329	0.8
70.72924	0.3
71.01249	8.2
72.99186	0.4
73.02815	12.6
75.00737	0.4
83.01255	5.5
83.01711	0.5
85.02827	1.4
89.02318	1.5
95.01280	0.5
96.95875	0.9
97.02852	0.4
97.06461	0.7
99.04381	2.1
101.02321	11.8
109.06481	1.1
113.02328	3.8
119.03352	0.9
121.06571	0.3
123.04454	0.4
125.02328	1.1
131.03374	0.9
143.03401	1.2
149.04443	1.1
155.03394	0.5
161.04457	1.3
165.12704	1.5
167.10678	0.8
189.12808	0.7
203.05620	0.6
207.13812	4.7
208.14162	0.4
209.11781	7.1
225.14905	9.4
226.15289	0.7
227.12831	43.6
228.13161	2.9
233.11713	1.0
241.56987	0.3
251.12930	2.7
269.13916	15.2
270.14279	1.4
287.14981	100.0
288.12381	0.6
288.15344	7.7
293.13986	1.1
311.15018	2.5
312.15335	0.4
329.16064	4.9
330.16345	0.4
353.15826	0.4
371.16943	0.9
373.18338	0.4
413.17810	0.4
415.19980	0.4
431.18863	0.8
449.20389	0.5
473.20187	2.0
491.21289	20.5
492.21631	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	11.6
67.38639	0.8
69.03327	1.2
71.01252	3.8
71.04857	1.0
71.16167	1.6
77.59541	0.8
78.95770	1.9
80.96394	6.0
85.02829	1.7
89.02335	1.0
94.97973	2.3
96.95851	1.6
97.02823	5.9
99.00742	8.2
101.02325	2.8
109.06499	0.9
113.02325	1.3
125.02381	0.9
125.09611	2.5
142.02559	1.3
145.05003	1.0
163.11172	3.7
164.98514	1.7
181.12267	7.3
200.92004	0.9
207.10207	26.5
207.12160	1.3
208.10590	1.2
225.00717	2.6
225.11276	56.2
226.11601	2.2
235.08215	3.7
241.01172	1.0
243.12328	7.0
248.47537	0.9
253.09192	3.0
277.21719	100.0
278.22037	6.6
278.78391	1.0
443.19156	5.8
461.20471	6.7
548.65216	1.1
721.41541	17.7
722.42145	2.1
781.40808	9.0
782.41516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15669	1.3
59.01250	17.3
59.54562	1.3
66.40672	1.2
71.01259	8.4
71.16197	3.1
73.02808	2.1
78.95802	4.7
78.98470	1.7
79.95613	2.9
80.96391	19.9
89.02316	2.1
93.17578	1.3
94.97942	2.6
97.02842	8.8
99.00753	11.4
101.02326	5.8
110.59885	1.3
113.02337	2.3
122.97465	1.8
125.02293	1.6
125.09650	2.2
134.97505	1.8
135.08051	1.7
142.02615	2.5
152.99464	2.4
163.11215	8.8
164.98576	4.0
181.12267	17.4
201.99355	1.4
207.10196	47.6
225.00681	4.6
225.11272	100.0
226.11612	3.7
243.12347	12.9
250.48972	1.5
253.09320	2.5
255.23419	1.7
277.21710	89.1
278.22043	6.3
342.64130	1.6
443.19318	4.8
461.20325	42.0
462.20755	3.9
594.93695	1.6
710.71722	1.9
721.41626	22.1
722.41968	4.5
781.40338	28.0
782.41321	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
57.98968	0.2
59.01253	1.7
64.65082	0.2
71.01245	1.0
71.58374	0.3
73.02829	0.5
73.56222	0.2
78.95766	0.3
79.95608	3.8
83.04910	0.7
87.00754	1.0
89.02315	0.5
89.35350	0.2
96.95892	100.0
97.95825	0.4
98.95472	1.9
98.96313	0.5
101.02319	0.8
101.97750	0.2
103.00243	0.6
105.03310	0.4
107.04929	0.5
109.02846	0.2
112.98735	0.3
113.02341	0.6
119.34651	0.3
121.06477	0.2
133.02859	2.3
134.03708	0.3
135.04385	0.8
135.08046	0.4
137.02289	0.4
144.05717	0.3
151.03914	0.7
159.08038	0.4
161.04485	0.3
165.05487	0.4
173.09608	1.1
175.03969	1.2
175.11160	0.4
177.01840	1.4
178.02663	0.8
179.03418	0.8
187.85483	0.2
193.04939	0.6
197.09680	0.3
199.11325	0.3
213.09111	1.1
214.09567	0.6
215.10732	0.5
217.12312	0.5
223.05873	0.3
247.09799	0.3
253.07179	0.7
295.08102	0.4
355.04938	1.1
356.05154	1.0
357.05258	1.0
533.29663	0.3
539.22986	0.7
601.17499	0.5
605.22388	0.5
606.21881	0.3
619.18512	21.9
620.18909	2.9
691.03479	0.3
701.27844	0.8
723.15576	0.3
781.23846	9.4
782.24213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03312	3.0
59.01249	100.0
60.99166	1.2
61.98689	1.9
69.03345	2.1
71.00887	2.0
71.01253	27.5
72.99184	1.8
73.02818	7.7
81.03330	1.2
83.01250	6.1
85.02822	18.0
85.89906	1.0
85.99939	1.0
87.00738	4.5
88.98668	5.8
89.02315	7.1
92.83064	1.2
95.01275	5.8
96.95900	9.4
97.02808	4.0
99.00759	4.7
101.02328	14.9
104.82614	1.0
111.00773	2.0
112.01555	1.4
112.98662	4.0
113.02330	17.2
119.03397	1.5
124.01531	2.9
125.02338	10.9
143.03418	5.3
149.00804	1.1
159.02855	1.7
161.04404	2.8
275.09467	1.2
283.26416	1.5
293.56967	1.0
329.30685	2.6
397.13290	1.2
473.34888	7.4
491.36060	5.6
599.38031	1.4
617.39069	28.9
618.39380	4.7
635.40082	58.1
636.40509	9.5
653.41235	15.1
654.41711	2.1
677.41382	13.7
678.41223	2.1
695.42163	23.3
696.42401	3.7
714.88690	1.4
784.41132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
59.01251	1.1
64.45366	0.1
71.01250	0.4
79.95612	2.5
83.04865	0.2
87.00761	0.7
89.02349	0.2
93.03339	0.2
96.95892	100.0
97.08929	0.2
97.95822	0.4
98.95472	1.5
98.96333	0.3
101.02309	0.3
103.00247	1.5
108.42534	0.2
113.02387	0.1
133.02850	0.3
136.01576	0.2
151.03891	0.4
165.05438	0.2
173.09669	1.8
174.09982	0.5
177.01855	0.2
191.05565	0.5
197.09700	0.6
201.09134	0.3
217.12378	0.3
241.00192	0.5
245.08252	0.4
247.09677	0.6
248.09933	0.3
252.17896	0.1
259.01172	0.2
259.09616	0.3
277.10727	0.2
339.05438	3.2
340.05634	0.2
355.04904	2.1
356.05219	1.7
357.06552	3.4
439.16269	0.3
451.21274	0.7
539.22943	1.3
619.18524	1.7
701.28009	1.2
763.23053	0.3
781.23663	3.7
782.24420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
59.01248	2.4
68.00906	0.2
71.01252	0.6
72.99167	0.3
73.02846	0.2
79.95600	3.4
80.96407	0.3
85.02819	0.2
87.00725	0.4
89.02309	0.3
93.93173	0.2
95.95095	0.2
96.95885	100.0
97.95810	0.5
98.20511	0.3
98.95474	2.7
98.96270	0.4
100.30588	0.2
101.02293	0.3
103.00244	10.5
112.98631	0.2
113.02323	0.2
133.02859	1.3
135.04428	0.5
149.95389	0.2
171.07997	0.3
173.09628	2.7
174.09932	0.4
177.01839	0.8
178.02637	0.3
179.03400	0.5
197.09650	5.1
198.09930	0.3
213.09024	0.2
215.10771	0.3
241.00430	0.2
245.08151	0.2
247.09750	0.2
259.01343	0.4
259.09668	2.2
260.10181	0.2
277.10776	4.6
278.11145	0.4
310.03360	0.3
331.83691	0.2
355.04913	0.7
356.05273	0.5
357.06485	24.7
358.06866	1.4
584.79169	0.2
600.33630	0.3
605.22394	0.4
619.18439	2.5
620.18823	0.4
701.27313	0.3
780.40765	0.3
781.23737	2.6
782.24420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66604	0.2
56.16615	0.2
57.03333	0.3
58.60099	0.2
59.01253	1.1
61.44626	0.2
69.28252	1.1
69.28686	0.9
70.78971	0.2
71.01261	0.8
72.59743	0.2
73.02829	0.4
78.95779	0.4
79.95609	5.3
80.96377	0.7
85.02823	0.4
87.00749	0.8
89.02293	0.2
95.95119	0.7
96.95892	100.0
97.95849	0.3
98.20546	0.5
98.95473	3.1
98.96318	0.6
101.02352	0.5
103.00243	0.6
113.02361	0.3
123.04447	0.2
133.02814	1.0
135.07985	0.2
138.87866	0.2
139.36931	0.2
149.02339	0.3
149.09619	0.2
150.03149	0.4
151.00320	0.3
151.03896	0.3
165.05421	0.5
171.11746	0.4
173.09645	0.6
175.03947	0.4
175.11267	0.2
176.04379	0.2
191.05524	0.3
191.10651	0.3
195.06490	0.3
197.09702	0.3
201.12723	0.2
203.10579	0.2
205.12271	0.6
215.10706	0.8
227.10686	0.3
233.11818	0.4
241.00378	0.2
243.13876	0.3
259.01157	0.3
285.04059	7.4
286.04434	1.3
293.86243	0.3
297.27133	0.2
325.29437	0.2
355.04654	0.2
357.06122	0.6
389.25204	0.3
477.23346	0.2
519.19861	0.2
533.29645	0.3
539.22699	0.6
547.33392	0.2
618.17957	0.2
619.18488	4.3
619.28485	0.2
620.18774	0.5
701.27716	0.4
781.23730	8.3
782.24231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
61.98695	0.5
71.01246	0.6
71.58181	0.2
75.00775	0.2
79.95606	3.4
80.96409	0.6
82.26404	0.2
84.48249	0.2
85.02811	0.3
96.95894	100.0
101.02319	0.2
112.98697	0.5
113.02367	0.4
128.72536	0.2
138.96970	0.6
159.88661	0.2
183.19708	0.2
196.26997	0.3
197.09836	0.2
215.10721	1.0
241.12459	0.3
259.01303	3.9
259.09766	0.3
284.57111	0.2
387.23285	0.3
431.22079	0.3
457.20703	0.3
475.21176	0.8
501.19156	0.6
519.20288	1.8
537.21552	0.6
617.16974	4.7
618.17090	0.5
779.22058	5.5
780.22424	0.8
791.91321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01447	0.2
59.01240	0.7
60.58300	0.2
62.08311	0.2
75.29614	0.2
79.95599	2.3
80.96380	3.2
83.04908	0.2
96.43499	0.2
96.95882	54.4
97.95783	0.3
103.00242	1.1
121.06473	0.5
123.95197	0.2
131.05008	0.2
144.05728	0.3
147.08040	0.9
157.06471	0.9
158.07271	0.5
161.09624	1.1
171.08090	1.0
173.09619	35.3
174.09966	1.8
185.09653	0.3
187.27435	0.2
188.08319	0.7
189.09128	2.6
201.09137	9.6
202.09480	0.6
203.10718	0.8
214.06194	0.4
217.08638	0.5
229.08649	2.1
230.08885	0.3
233.70116	0.2
241.00175	1.7
245.08131	10.7
246.08488	0.6
247.09717	16.8
248.10168	1.0
355.04886	100.0
356.05203	7.4
503.12320	1.2
617.16516	1.0
618.17584	0.3
779.22247	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	779.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41892	1.3
59.01249	17.4
60.69450	1.1
68.30840	1.2
70.81262	5.2
71.01227	3.3
78.95773	1.7
80.96376	1.3
89.02320	2.5
101.02345	2.9
167.10684	2.4
179.14247	2.1
192.84883	1.5
195.13826	8.5
205.12216	8.9
223.13335	100.0
224.13609	3.9
235.08182	1.8
243.33836	1.3
253.09282	8.6
277.21692	68.0
278.22012	3.8
306.85657	1.5
387.74420	1.4
423.12363	1.5
441.21326	1.9
459.22226	14.2
574.80756	1.5
779.40491	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
59.01502	0.1
68.13582	0.1
71.01237	0.3
73.02827	0.1
79.95599	1.8
87.00723	0.1
94.04477	0.1
96.95879	100.0
97.95827	0.3
98.87437	0.1
101.02293	0.1
112.98705	0.1
113.02374	0.1
133.02812	0.1
151.03984	0.2
151.11844	0.1
171.08015	0.1
173.09627	0.4
175.03906	0.2
184.70235	0.1
186.12743	0.1
229.00714	0.1
245.08170	0.1
247.09660	0.2
355.04898	6.0
356.05240	0.4
363.99097	0.1
423.55496	0.1
614.85535	0.1
617.16553	0.3
683.75391	0.1
779.21826	0.6
780.23187	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	0.1
59.01257	0.4
71.01246	0.2
71.57403	0.1
71.57768	0.2
72.99181	0.1
79.95599	3.4
83.04938	0.1
85.02834	0.1
87.00728	1.0
89.02319	0.2
91.48363	0.1
96.95883	100.0
97.95828	0.4
98.95483	0.1
112.98660	0.2
114.44648	0.1
118.81259	0.1
133.02840	0.2
136.01564	0.2
138.97008	0.2
149.02319	0.2
150.03125	0.4
150.92906	0.1
151.03909	0.4
157.43198	0.1
165.05519	0.3
171.07977	0.2
173.09669	0.2
175.03899	0.2
195.06578	0.3
209.11771	0.1
215.10620	0.3
217.12064	0.2
253.87093	0.1
259.01199	0.7
259.09677	0.2
343.11624	0.2
343.20499	0.4
355.04706	0.4
367.11670	0.2
387.14777	0.2
387.19580	0.5
405.20752	0.2
431.18475	0.7
449.19595	0.5
475.21323	0.2
519.20166	0.2
537.21051	0.5
559.93079	0.1
617.16895	12.4
618.17218	2.1
779.22003	6.8
779.43054	0.2
780.22607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51895	0.2
59.01024	0.2
59.01245	2.2
64.42927	0.2
69.35790	1.6
69.36217	0.9
71.01237	1.1
73.02806	0.8
74.65902	0.2
79.95605	2.7
82.49829	0.2
84.46404	0.2
85.02821	0.4
87.00756	1.7
89.02318	0.4
96.95883	100.0
97.95852	0.5
98.19790	0.4
98.95472	0.6
99.00770	0.5
101.02309	0.9
106.04140	0.3
107.04895	0.5
112.98685	0.6
113.02334	0.8
116.69112	0.3
125.02279	0.3
133.02840	0.8
135.04367	0.3
143.03262	0.3
145.06487	0.3
147.75520	0.3
149.00848	0.3
151.03899	1.2
165.05441	0.6
171.08087	0.9
173.09595	2.2
175.03946	1.5
185.09630	2.5
193.04945	0.6
197.11751	1.6
201.09113	0.4
213.09137	20.5
214.09526	1.7
217.05057	0.3
223.06030	0.5
241.10782	3.1
245.08141	0.7
253.07193	0.8
257.08142	9.3
258.08615	0.6
275.09259	2.1
295.08218	1.1
307.54465	0.2
313.09363	0.4
339.05496	0.8
355.04895	23.6
356.05322	1.9
387.19519	0.5
431.18533	1.0
507.19971	0.3
537.22131	0.4
617.16937	4.2
618.17200	0.7
675.31995	1.0
693.33325	0.6
779.22253	4.3
780.22656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.8
59.01226	3.6
60.69622	0.5
63.67680	0.6
66.14468	0.4
69.99062	0.5
71.01256	1.8
73.02820	0.6
85.02825	1.6
91.01772	0.7
93.03337	2.0
95.01260	0.7
96.95879	0.5
101.02307	1.1
106.04113	10.6
107.04908	20.1
108.02061	3.5
108.05273	0.7
113.02316	2.3
115.15979	0.5
119.04906	4.9
121.02821	3.2
123.04410	6.0
125.02341	1.8
131.04927	3.2
133.02841	32.8
134.03139	1.1
135.04390	0.6
138.03149	1.4
143.04922	1.0
145.02838	0.7
147.04405	8.1
149.05952	1.1
151.03909	43.5
152.04190	1.0
161.04691	0.7
161.05988	5.7
162.06343	0.6
163.03868	0.6
165.05470	35.6
166.05804	1.5
175.03914	100.0
176.04254	3.7
193.04982	44.5
194.05283	1.5
203.07079	0.6
205.04996	11.2
217.04990	1.0
223.06056	31.7
224.06378	1.6
235.06064	4.7
253.07138	53.5
254.07481	2.8
255.90720	0.5
277.07153	1.3
295.08191	2.8
313.09274	28.5
314.09528	1.3
412.28714	0.5
465.13867	1.9
542.74890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.8
65.37210	0.2
71.01254	0.8
73.02837	0.3
79.95605	4.2
80.96392	0.9
85.02813	0.4
87.00735	5.2
89.02299	0.3
93.13051	0.3
96.95883	100.0
97.02843	0.3
98.95464	0.5
103.00249	0.4
111.04494	0.4
113.02314	0.4
131.04852	0.3
133.02815	1.0
138.96889	0.3
149.02341	0.3
150.03090	0.4
151.03888	1.0
161.09654	0.4
165.05449	1.0
171.08093	0.6
173.09634	4.9
175.03902	1.1
175.11200	0.4
193.04936	0.5
195.06572	0.4
201.09073	1.6
203.10733	0.3
215.10713	0.5
229.26054	0.3
241.00179	0.8
245.08200	1.3
247.09734	3.0
253.07115	0.4
259.01279	0.7
285.04022	5.8
286.04459	0.5
343.20639	1.8
344.21100	0.3
355.04910	8.2
356.05292	0.4
357.13544	0.4
369.13483	0.3
387.19656	1.5
431.18555	3.9
432.18924	0.6
436.66486	0.3
507.19742	0.5
537.21399	0.7
617.16925	13.6
618.17267	2.2
671.37750	0.3
733.97559	0.3
779.22192	11.9
780.22467	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	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49611	0.1
61.05859	0.1
78.95776	3.0
79.95608	2.8
83.02370	0.1
83.04911	0.1
84.00862	0.1
96.95889	100.0
96.96768	4.0
97.95811	0.4
97.96351	0.1
98.02371	0.5
98.19743	0.2
126.06641	0.1
200.35266	0.1
223.34186	0.1
225.15974	0.1
716.50922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03304	1.0
58.00466	0.9
59.00951	0.7
59.01247	14.8
61.98693	0.9
68.99684	0.5
69.03322	2.9
71.01247	16.9
71.57294	0.6
72.99178	1.3
73.02816	6.1
78.95771	2.1
81.03333	0.6
83.01257	6.4
85.02824	6.2
86.00032	0.4
87.00751	1.5
89.02309	8.8
91.03886	1.4
95.01283	3.4
96.95873	0.4
97.02823	5.9
99.00743	1.4
99.04365	0.6
101.02312	11.7
103.03872	1.6
109.02805	0.7
111.04417	0.9
113.02325	14.9
115.03904	2.5
119.03407	2.4
124.01507	0.5
125.02330	4.7
125.05972	1.1
125.44884	0.4
131.03409	2.7
133.04959	4.2
133.12740	0.4
139.03944	0.6
142.02664	0.5
143.03392	13.7
149.04465	0.7
152.99448	1.2
157.04944	1.4
161.04466	4.0
169.04895	1.0
179.05475	1.4
187.06073	0.6
199.06091	1.3
203.58424	0.4
217.07161	1.4
235.08180	34.0
236.08615	0.7
253.09253	28.6
254.09541	1.2
277.21701	100.0
278.22009	6.1
329.23428	0.5
349.11368	0.5
367.12430	25.7
368.12759	1.1
385.13486	20.8
386.13925	1.3
499.16623	7.4
500.16931	0.6
513.30676	5.2
514.30969	0.6
517.17810	3.6
645.34766	3.1
766.37115	0.5
777.44489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.4
61.60353	1.5
61.98682	2.6
71.01244	5.9
73.68060	2.0
80.61666	1.6
80.96400	3.0
83.04895	1.8
85.02802	2.0
89.02283	2.9
89.34631	1.7
95.04894	1.8
101.02316	2.0
140.22929	1.5
143.76576	1.5
151.03680	1.7
161.85745	1.8
163.11169	3.7
171.10156	38.8
181.08620	3.1
189.09084	1.8
199.09644	13.9
207.10219	19.2
225.11272	43.3
226.11591	2.9
234.85870	1.8
235.08115	8.4
253.09189	9.9
267.35818	1.7
277.21698	100.0
278.22015	5.9
417.17407	3.2
443.19266	8.6
461.20203	9.7
513.30524	3.9
583.92291	1.9
695.40125	22.5
696.40741	4.1
721.41687	21.4
722.41797	3.3
775.40051	5.1
776.41064	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.2
61.79625	1.6
69.68949	10.3
71.01241	4.7
78.95789	3.1
89.02317	2.0
96.95903	2.0
97.02761	1.6
101.02327	2.7
105.43001	1.6
113.02278	1.5
124.14669	1.6
132.92744	1.7
134.85265	1.5
161.04349	1.6
163.11172	1.7
171.10173	100.0
172.10451	4.1
175.19629	1.7
207.10193	6.7
225.11264	34.2
226.11635	2.7
235.08151	9.1
253.09186	7.9
277.21710	91.4
278.21988	6.5
280.18784	1.5
407.19122	9.6
407.97739	1.8
443.19397	8.3
461.20273	9.7
495.16400	1.7
513.30420	5.1
667.41479	2.4
716.07410	1.6
721.41632	21.4
722.41803	2.5
775.40015	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.2
68.48403	1.9
71.01250	5.5
71.59219	3.2
72.62371	1.6
78.95773	2.8
80.96393	3.8
84.39275	1.8
85.02781	2.0
138.74210	1.6
171.10178	63.2
172.10529	3.1
207.10249	3.0
225.11253	16.8
235.08154	7.8
253.09221	6.3
277.21719	100.0
278.22061	8.6
314.08997	1.8
407.19427	3.5
443.19022	3.5
461.20041	2.0
513.30450	4.5
523.06305	2.2
667.40387	2.4
721.41254	12.6
722.41895	1.9
775.39758	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	775.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12970	0.1
59.01236	0.2
59.12862	0.1
61.98678	0.4
69.42138	0.1
71.01254	0.4
71.59499	0.2
78.95773	2.4
79.95602	2.9
94.92377	0.3
96.92082	0.5
96.95885	100.0
96.96880	2.7
97.95829	0.3
98.02312	0.1
101.40976	0.1
116.98573	0.1
118.96501	0.3
139.03906	0.2
188.22884	0.1
222.70674	0.1
234.49014	0.1
279.23361	0.5
361.04449	0.3
367.81592	0.1
397.13358	0.3
409.19058	0.4
415.14484	0.2
433.52158	0.2
435.08218	0.9
450.33105	0.1
453.09122	1.4
597.89789	0.1
602.15076	0.1
653.06763	0.1
715.32440	1.4
716.32434	0.2
761.20679	0.2
775.11481	0.1
795.39935	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.8
62.58857	2.9
70.11379	9.6
71.01257	4.3
74.08552	3.0
78.95776	4.6
80.96400	4.2
98.19797	3.1
102.09573	2.4
108.83696	2.5
109.06451	3.6
109.52935	2.8
112.98670	3.0
146.27214	3.0
152.99503	3.0
163.11227	4.1
163.97794	2.6
171.10159	12.1
181.08527	3.2
181.12187	2.8
199.09705	18.5
201.11220	9.7
207.10170	37.3
219.23920	2.6
223.98364	2.7
225.11267	41.2
235.08112	5.4
243.12241	3.2
253.09215	12.4
277.21701	100.0
278.22018	6.4
278.85480	3.0
435.18591	10.2
443.19202	8.3
461.20062	10.1
462.20493	3.2
477.50174	3.0
695.40094	31.6
696.40167	5.6
721.41736	35.9
722.41791	9.5
775.39691	22.3
776.41248	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	773.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
58.00457	1.0
59.01251	26.3
59.99755	0.5
69.83400	1.4
69.83805	0.9
71.01256	15.5
72.99183	1.2
73.02814	1.2
83.01241	0.6
85.02819	4.3
87.00751	1.4
89.02313	8.2
89.02835	0.8
95.01271	1.6
96.95905	1.3
101.02318	9.0
113.02317	7.7
119.03386	3.7
129.97279	0.4
135.59328	0.5
143.03307	0.4
181.12277	0.7
195.13834	18.5
196.14069	0.6
201.09079	0.5
203.10574	0.6
205.11971	0.6
213.14844	2.7
219.09953	0.5
221.11536	0.7
223.13086	8.7
233.11514	1.3
235.09503	0.9
235.13087	7.6
237.10994	1.4
241.14389	0.4
249.11011	0.7
253.12708	0.8
265.10519	0.6
267.12143	5.0
270.93347	0.5
277.14203	19.5
278.14572	1.4
279.12036	3.2
289.14215	1.5
309.12033	1.9
331.14185	0.6
375.20218	100.0
376.20557	7.0
397.18338	30.7
398.18506	2.6
441.17215	1.2
458.77454	0.5
572.82831	0.5
605.06055	0.5
773.39215	2.4
802.65320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	6.0
59.48927	0.9
64.03586	1.0
67.01772	1.0
69.03331	1.2
70.35324	4.2
71.01234	3.4
75.00764	0.9
81.03304	1.4
81.04157	1.0
83.01260	1.1
83.04880	1.5
85.02816	3.0
87.00761	1.4
89.02306	2.8
93.03328	13.0
94.03629	0.9
94.89530	0.9
95.01257	5.0
95.04871	3.8
96.15987	0.9
96.90084	0.8
97.02833	2.1
100.69213	1.0
101.02306	2.7
106.04124	1.3
107.04885	3.5
108.02039	2.2
109.02807	6.4
111.04382	1.9
113.02334	3.0
119.03355	1.5
119.04927	1.1
121.02829	14.6
122.03611	1.3
123.00779	1.4
123.04401	21.9
124.01550	6.6
125.02322	1.4
132.02061	1.1
133.02847	14.1
134.03583	1.5
135.04361	1.6
137.01257	1.0
137.02339	34.7
138.03142	14.1
139.03909	75.7
140.04237	1.5
143.03386	1.2
144.56496	1.0
147.04382	2.9
149.02353	3.2
151.03912	12.4
161.04485	1.3
161.05980	1.4
163.00279	3.0
163.03972	2.0
164.01085	4.9
165.01842	100.0
165.05496	4.9
166.02151	3.2
167.03369	5.3
170.02112	1.1
175.02486	1.8
175.03914	16.4
176.04436	1.7
177.01831	7.2
178.02620	3.3
179.03377	2.8
180.04274	1.3
183.02907	69.8
184.03253	2.7
191.03346	2.4
193.04970	4.8
195.06541	2.4
205.05002	2.8
207.02908	2.6
209.04463	7.7
210.04973	1.2
215.03291	1.0
217.04968	2.1
219.02911	1.1
223.06029	5.8
225.03941	12.9
225.07581	1.5
239.05450	2.4
253.07137	3.7
255.05098	7.4
269.06696	4.1
285.06149	14.0
286.06238	1.0
293.06696	1.9
295.08142	2.5
309.06119	8.9
313.09354	2.7
327.07327	1.8
327.16006	1.0
329.08838	2.3
345.08163	4.8
504.67841	1.2
567.07312	1.0
625.24756	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	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72367	0.1
56.18867	0.1
59.01251	0.4
71.01250	0.7
78.95777	3.8
79.95609	3.1
88.94715	0.1
89.02299	0.2
94.92386	0.4
96.92115	0.5
96.95892	100.0
96.96770	3.3
97.95833	0.2
98.02342	0.1
99.00770	0.1
102.74252	0.1
112.96012	0.1
118.96523	0.3
125.02260	0.1
146.95990	0.1
152.99452	0.6
171.10155	0.1
173.89542	0.1
209.11748	0.2
217.00198	0.2
229.30437	0.1
259.01294	0.2
266.09253	0.1
277.02423	0.1
277.21826	0.4
291.04028	0.2
361.04562	0.3
397.13617	0.3
407.17560	0.4
415.14578	0.2
435.08121	0.7
453.09152	1.3
495.10046	0.1
713.30511	1.6
714.31079	0.3
773.42316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.1
67.87484	0.1
71.01266	0.3
78.95770	3.6
79.95602	2.9
89.02296	0.1
90.97047	0.2
94.97988	0.1
96.95886	100.0
96.96767	4.2
97.02802	0.2
97.95823	0.2
98.02367	0.2
99.00771	0.1
101.02348	0.1
116.98576	0.1
118.96502	0.2
119.07966	0.1
144.98166	0.1
145.40958	0.1
146.95996	0.1
152.99483	0.1
182.99695	0.1
277.21683	0.3
291.03961	0.2
301.02441	0.2
317.02432	0.1
325.25870	0.1
361.04465	0.4
375.19040	0.1
376.90381	0.1
397.13525	0.4
407.17303	0.5
415.14993	0.2
435.08090	0.7
453.09201	1.4
593.26459	0.1
713.30780	1.5
714.31073	0.2
763.53442	0.1
773.43427	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.1
59.00982	1.0
59.01251	11.7
69.03329	0.7
70.61215	1.5
71.01241	5.7
73.02821	1.4
73.88672	0.6
78.95762	0.8
79.95605	7.1
80.91538	0.5
80.96383	0.6
81.76843	0.6
83.01236	1.0
85.02818	2.4
87.00742	0.9
89.02297	2.6
93.03313	1.3
95.04897	2.3
95.95098	3.2
96.95882	100.0
99.00715	1.1
99.55400	0.6
101.02330	4.6
106.04116	6.4
107.04908	10.4
108.02040	2.8
113.02309	2.8
119.04906	2.1
121.02824	2.1
122.18481	0.7
123.04404	14.8
125.02383	0.9
131.04927	1.0
132.02048	1.7
133.02844	31.1
134.03180	1.4
135.04361	1.1
138.03114	0.9
143.03401	0.7
147.04388	2.1
151.03909	11.4
161.05972	1.2
163.03859	0.9
165.05472	20.6
175.03923	13.1
193.04993	15.6
195.13750	0.8
205.05025	1.0
209.04597	0.8
209.11732	2.4
217.00299	0.8
217.12177	1.0
235.13344	1.6
245.11781	1.8
246.12318	0.6
275.19968	0.7
278.11255	2.6
293.21182	5.9
315.19315	2.4
325.07330	0.8
327.21780	1.2
375.21143	0.7
397.13376	3.0
397.18256	1.3
415.14435	1.9
437.12650	6.2
701.47095	0.7
773.21100	78.7
774.21600	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	773.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
55.28030	0.2
56.52972	0.3
57.03325	1.0
57.95301	0.2
58.00473	0.8
59.01252	100.0
60.01589	1.0
65.00187	0.3
69.03336	0.8
69.33790	1.9
69.34197	0.6
71.01254	28.8
72.01599	0.4
72.99194	1.3
73.02822	7.6
75.27330	0.2
79.95608	0.3
81.03333	0.3
83.01263	3.1
85.02828	7.6
87.00742	2.4
89.02319	13.8
95.01261	3.0
96.95889	2.8
97.02846	1.0
98.60544	0.3
99.00780	1.2
101.02327	14.6
109.02826	0.5
113.02330	20.3
114.02694	0.6
115.03924	0.3
116.36555	0.3
119.03404	5.5
123.04491	0.3
124.01537	0.7
125.02343	2.6
131.03432	1.3
135.04390	0.4
143.03400	4.4
149.04497	1.5
155.03444	0.5
161.04471	7.7
162.04793	0.4
175.03947	0.3
179.05540	5.1
203.05609	1.2
221.06703	0.6
234.83885	0.3
237.61945	0.3
404.22467	0.3
475.90244	0.3
565.30054	3.9
566.30548	0.4
583.31232	14.3
584.31561	2.3
601.32324	9.1
601.41553	0.5
602.32416	1.5
625.32135	4.0
626.32678	0.5
643.33405	8.9
644.33429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47497	0.7
57.03314	0.9
58.00453	0.9
59.01242	2.7
69.30395	5.5
69.30807	2.5
71.01249	3.4
72.78341	0.7
72.95496	0.7
73.02813	1.2
79.95599	5.2
85.02822	3.5
89.02342	0.9
90.34528	0.8
93.03355	1.4
95.01276	0.9
95.95074	1.0
96.95887	100.0
101.02322	2.3
106.04100	2.7
107.04917	10.5
108.02046	1.1
113.02322	5.8
119.04916	1.4
121.02839	1.9
123.04406	8.0
131.04892	0.9
133.02855	10.1
143.03499	1.0
147.04402	1.1
151.03902	12.1
165.05502	6.5
170.95262	0.9
175.03920	3.7
193.04959	3.1
216.18062	0.9
245.11826	0.9
325.07507	2.8
374.88062	1.0
419.21472	1.0
484.27316	0.9
517.70441	1.0
545.53339	1.0
773.21118	63.9
774.21198	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	773.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.5
59.01221	3.8
70.19254	1.2
70.19651	1.0
71.01235	1.6
76.93390	0.4
79.75911	0.4
79.95589	0.4
81.03304	0.5
81.74682	0.4
83.01224	0.5
85.02772	0.5
89.02295	0.7
90.79982	0.4
91.01772	1.1
93.70473	0.4
95.01291	1.0
96.95892	6.5
98.59552	0.4
101.02284	1.0
107.04914	1.5
108.02070	1.8
109.02831	100.0
110.03169	2.7
111.00762	1.5
112.98673	0.9
113.02274	0.5
116.00416	0.5
121.02824	0.5
122.01584	0.5
123.00758	6.2
123.04396	1.5
124.01556	5.6
128.49850	0.5
133.02815	0.5
135.04419	0.4
136.01683	0.6
137.02359	4.2
139.00325	0.8
149.02354	1.2
150.03055	0.5
150.21266	0.5
151.03908	5.7
152.01065	2.3
153.01825	2.9
160.33214	0.4
165.01839	1.3
167.03358	2.6
177.01837	0.5
179.03355	1.1
181.01337	30.0
182.01648	1.0
195.02899	1.9
204.07196	0.4
223.02420	57.1
224.02759	2.6
253.03508	34.3
254.03821	1.4
263.29507	0.4
283.04584	80.1
284.04965	5.1
304.71030	0.5
307.04620	0.8
325.05655	4.3
343.06674	24.0
344.07114	2.4
407.28473	0.5
487.11615	0.6
621.13873	0.5
670.03998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00534	1.5
55.01753	1.6
57.03309	5.0
58.00457	1.7
59.01249	59.9
69.03336	2.5
69.45441	12.9
71.01252	41.4
72.99179	4.2
73.02823	14.2
78.95763	1.9
80.96358	2.4
83.01258	6.0
85.02820	19.9
87.00756	6.3
89.02309	14.4
89.58369	1.6
95.01261	6.5
96.95897	17.2
98.19727	1.4
98.95469	1.4
99.00755	4.8
101.02319	24.6
106.62173	1.5
107.66382	1.5
111.00734	3.6
112.98717	2.1
113.02324	20.5
119.03383	5.0
124.01563	4.8
125.02349	5.8
135.04401	2.5
152.01080	2.4
153.01868	2.0
159.02898	1.7
161.04491	4.6
179.05353	2.0
249.00748	1.6
315.14426	1.9
361.29666	10.0
505.33951	6.2
523.34698	9.6
552.52893	1.9
631.35846	1.9
667.39075	100.0
668.39520	15.3
685.40118	48.4
686.40564	8.7
716.48669	1.9
727.41113	33.9
728.41614	6.0
771.30463	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	773.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01247	0.7
59.68214	0.2
65.00198	0.2
68.06170	0.2
68.71256	0.2
69.03314	0.2
71.01244	0.8
71.16174	0.3
81.03305	0.3
82.03754	0.2
85.02802	1.4
91.01759	0.8
95.01289	0.2
97.02826	0.3
106.04149	0.2
108.02035	1.3
109.02826	100.0
110.03168	2.7
111.00745	0.3
113.02312	1.1
116.65983	0.2
123.00775	0.4
124.01508	0.4
125.02340	0.3
133.02859	0.3
135.20474	0.2
136.01541	0.3
137.02335	4.7
141.01752	0.2
143.03358	0.3
151.03909	0.2
153.01834	0.8
165.01874	0.4
165.05472	0.4
170.64207	0.2
175.03923	0.6
181.01329	31.8
182.01674	1.0
193.04994	0.3
223.02437	0.8
253.03496	1.3
261.26974	0.2
274.94333	0.2
304.46310	0.2
307.04559	33.9
308.04910	2.1
325.05634	2.5
383.15747	0.2
387.07251	0.3
409.09448	0.2
441.07974	0.4
568.76929	0.2
611.21979	0.2
621.13983	0.4
754.04065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.5
57.03328	5.8
58.00450	2.1
59.01250	68.0
61.98652	1.4
69.03329	2.5
69.75453	7.3
71.01254	48.2
72.99184	1.7
73.02818	11.4
78.26897	1.1
78.95784	1.7
80.96410	1.4
81.03326	1.6
83.01263	7.0
85.02826	19.3
87.00734	6.8
89.02319	16.4
95.01277	5.7
96.95897	8.4
97.02817	3.2
97.55379	1.0
99.00770	4.5
101.02323	30.0
107.04852	1.4
109.02846	8.6
111.00760	1.6
113.02328	20.0
119.03413	6.9
125.02325	4.8
129.01793	1.1
134.05972	2.7
135.04391	1.7
143.03412	2.7
143.10666	3.6
153.01837	7.4
155.03113	1.5
159.02979	1.2
161.02351	1.4
161.04445	2.5
179.05617	1.7
236.55371	1.1
243.08904	1.3
257.21149	2.4
291.23248	1.2
361.29514	11.2
505.33801	6.4
523.34869	12.1
639.25702	1.9
667.39050	100.0
668.39606	14.7
683.24445	5.4
685.40082	52.6
686.40613	7.3
727.41205	29.4
728.41791	6.0
771.30359	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	771.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.0
57.03321	3.7
59.01251	66.3
61.08591	1.6
69.03329	3.0
69.61221	9.0
69.61650	4.3
70.27129	1.5
70.86484	1.9
71.01249	40.7
72.99187	5.8
73.02826	11.3
75.00768	2.5
79.95611	2.6
83.01247	8.3
85.02814	17.3
87.00760	6.8
89.02312	12.7
89.18079	1.7
95.01263	6.0
96.95883	45.3
96.96497	2.8
97.02848	4.5
99.00764	5.2
101.02316	25.2
109.02826	11.9
111.00764	4.1
113.02318	20.6
119.03387	5.4
125.02359	5.3
129.01862	2.3
134.21597	1.6
143.03391	4.9
143.10616	2.9
151.03940	2.2
153.01875	13.8
159.02875	2.7
161.04465	4.5
179.03394	2.4
181.77502	2.0
298.56326	2.0
337.03906	5.2
361.29605	10.4
431.19077	2.3
505.33795	6.4
523.35107	13.3
585.21722	9.4
586.22107	2.3
667.39124	100.0
668.39410	14.7
685.40131	56.8
686.40125	8.7
727.41290	26.3
728.41046	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	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
59.66185	0.9
61.54952	0.8
62.24484	0.9
71.01249	2.1
83.01210	1.1
86.87661	0.8
88.13411	0.8
89.02305	2.0
93.96164	1.0
96.95894	2.1
98.19828	2.4
102.06783	0.8
106.51409	0.8
107.01247	1.9
107.04900	1.7
107.70647	0.7
145.34131	0.8
151.00267	4.0
151.03889	3.6
166.02364	1.0
169.01385	0.9
181.04942	0.9
193.04938	1.3
199.03854	1.1
215.03436	1.5
227.03473	2.4
242.02158	9.9
243.02930	9.4
245.00871	1.5
255.02966	4.5
257.04605	1.8
270.01666	11.9
271.02466	16.5
272.02777	0.8
285.03967	6.8
298.01141	3.1
299.01968	31.6
300.02573	8.5
313.03519	26.2
313.09122	2.0
314.04291	54.4
315.04993	16.4
316.05484	1.0
339.05426	1.3
609.14563	100.0
610.14801	12.6
765.39612	1.1
771.19495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68217	0.3
59.01247	4.9
59.71537	0.3
61.23206	0.3
61.98706	0.3
63.20794	0.3
71.01240	0.8
72.59631	0.2
78.95777	2.5
79.95596	3.3
92.96949	0.3
94.92430	0.3
96.92102	0.7
96.95886	100.0
96.96880	3.3
97.95808	0.5
108.02248	0.3
115.57660	0.3
143.60069	0.3
171.10222	0.5
259.58875	0.3
275.20157	0.5
305.46689	0.3
353.61847	0.3
427.18640	0.4
435.08267	0.8
437.23688	0.3
453.09161	1.2
620.95673	0.3
711.29358	1.1
746.25342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.6
61.98705	0.7
67.57081	0.5
69.87385	2.8
72.99181	1.4
79.95593	1.1
81.03291	0.5
83.04897	1.1
87.62833	0.7
88.98713	0.5
96.95883	100.0
98.17316	0.5
98.19787	0.6
98.95443	1.4
98.96301	0.5
162.76221	0.5
200.53833	0.6
281.09402	1.0
339.05414	3.6
650.24011	0.7
651.23578	0.7
677.49835	0.7
678.50378	2.0
679.49982	0.9
692.47363	0.7
750.50073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21994	0.5
63.02256	0.7
63.28562	0.4
69.57713	3.9
81.31302	0.5
88.88825	0.4
98.20453	0.9
107.01318	0.8
109.02750	0.6
133.02832	2.3
147.04231	0.5
149.02292	0.8
151.00279	2.2
175.03923	1.3
199.03912	1.5
217.04912	0.9
221.59698	0.6
227.03465	0.6
241.04962	0.6
243.02798	0.6
255.03087	1.6
256.03693	0.7
260.97797	0.5
283.02533	0.6
284.03238	14.0
285.04025	100.0
286.04337	6.6
323.12198	0.5
327.04968	0.7
447.09161	1.3
516.37952	0.6
609.14557	38.1
610.14911	5.2
771.19727	5.0
772.20020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
58.23683	1.2
59.01249	26.0
59.53252	1.2
69.49615	10.7
71.01253	18.6
73.02817	7.5
77.62740	1.3
83.01248	3.5
85.02852	6.6
87.00790	1.4
89.02315	8.4
95.01280	1.6
96.95879	4.0
98.20621	1.6
99.00745	2.6
101.02320	15.0
111.00771	2.7
113.02316	8.0
119.03404	2.1
121.02847	3.4
145.02913	1.5
159.04385	2.4
179.05525	2.9
255.06598	1.5
263.07050	1.4
269.08185	4.3
281.08194	9.1
282.08896	4.3
283.09775	5.9
293.08246	2.7
295.09729	3.4
296.10562	2.3
299.09277	2.1
311.09229	5.9
312.09979	1.7
314.08032	2.4
314.11584	7.2
315.12112	4.0
326.11499	9.6
327.12451	8.5
329.13947	14.4
341.14035	12.6
343.12018	2.8
355.11826	5.4
371.15146	1.6
458.15872	2.1
461.14343	1.9
471.16086	2.1
473.18417	8.9
476.16763	15.1
477.17163	2.2
485.18295	13.0
488.16751	4.5
491.19202	100.0
492.19501	12.1
503.19214	94.5
504.19656	10.6
521.20258	23.8
522.20984	3.3
533.20276	54.6
534.20837	5.4
545.20239	44.0
546.20361	4.4
563.21185	14.1
564.21307	2.5
650.45966	1.8
689.32086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03331	2.8
58.00479	1.1
59.01254	21.0
68.56463	0.5
68.99686	1.2
71.01254	26.7
71.58264	0.9
72.99185	2.9
73.02822	1.5
75.00750	16.1
78.95779	0.8
83.01259	2.1
83.85778	0.5
85.02826	13.7
87.00757	3.4
89.01816	0.9
89.02322	12.0
95.01257	3.2
96.26278	0.5
96.95879	1.9
99.00759	15.0
101.02316	3.0
106.28246	0.5
106.53950	0.5
111.00787	0.9
112.01572	1.4
113.02335	10.7
115.79600	0.5
121.70471	0.6
129.01842	0.5
131.03378	2.1
139.00262	0.6
157.01332	2.6
184.78612	0.5
210.02719	0.4
364.29587	0.6
367.72205	0.5
391.79843	0.5
402.37128	0.5
437.34155	1.0
457.36899	0.7
615.39423	0.9
727.19208	0.7
765.44324	100.0
766.44562	23.4
766.58368	1.2
783.52338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	50.4
61.98699	14.0
71.01241	34.0
71.58353	6.1
73.02833	8.1
81.03331	4.8
81.53399	3.3
83.01263	5.0
85.02837	7.9
87.00761	7.9
89.02315	32.2
95.01263	6.1
96.95882	32.6
97.02870	9.3
97.06454	7.5
101.02328	23.0
112.98700	7.0
113.02310	18.6
117.30338	3.2
119.03352	7.1
123.04388	3.4
125.02317	7.5
125.09615	9.8
133.02809	3.9
133.04999	5.2
134.03598	3.5
137.09566	6.6
143.03392	5.5
161.04347	4.2
163.11229	7.6
165.12779	6.4
179.05544	8.6
185.11725	9.9
191.14337	8.2
207.10330	4.1
209.11746	33.6
209.80611	3.6
212.12857	4.0
225.11310	6.6
235.08162	7.5
237.11200	4.6
245.19127	19.7
289.18073	81.9
289.21066	6.3
290.18301	8.9
307.19150	100.0
308.19400	6.1
397.13507	62.4
398.14001	4.7
415.14581	47.6
416.14926	4.0
538.13446	3.8
607.25854	4.3
671.93555	4.2
705.33789	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	765.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01249	15.5
69.03322	1.8
70.29918	1.4
70.30280	0.9
71.01254	4.3
73.02825	1.0
78.98466	0.7
79.95605	2.1
80.96390	11.2
87.00757	1.3
89.02316	1.9
94.97947	2.2
97.02815	0.8
100.00085	0.4
101.02324	3.1
106.98011	0.6
111.08044	0.7
113.02303	1.5
125.02306	0.5
134.97440	0.5
145.04936	1.1
148.99016	0.9
152.98489	0.9
153.09178	0.7
161.04478	1.6
164.98558	1.9
165.12842	2.6
171.10233	0.8
173.81895	0.5
181.12286	2.7
191.10680	5.2
206.99629	1.1
209.11772	56.0
210.12143	3.4
225.00694	2.7
235.08202	5.2
253.09232	8.9
255.23253	0.5
269.17621	2.7
277.21713	100.0
278.22055	10.3
297.18912	0.4
427.19769	2.1
429.21097	0.5
444.23157	0.6
445.20874	2.5
445.25974	0.5
475.71381	0.5
513.30579	1.3
705.42065	0.8
765.40936	12.9
766.41107	2.6
776.35950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.2
66.91523	0.2
71.01247	0.5
73.02808	0.5
74.59563	0.2
79.95600	4.3
80.33791	0.2
83.04079	0.2
84.94979	0.3
86.02355	1.2
87.00742	13.2
89.02293	0.2
89.74072	0.2
91.50878	0.2
96.95881	100.0
97.95820	0.5
98.95461	3.5
98.96285	0.5
101.02317	0.4
103.49722	0.2
113.02325	0.4
119.10355	0.2
150.03131	0.4
151.03854	0.3
162.03142	3.3
163.59659	0.2
165.05472	0.4
168.11310	0.2
171.08215	0.2
173.09612	3.9
175.11185	0.6
177.05482	3.4
183.45123	0.2
190.60675	0.2
195.06602	0.3
199.11220	0.8
215.10649	0.3
217.12228	1.2
241.00204	0.5
243.10150	1.1
259.01294	0.4
261.11298	1.1
313.95297	0.2
316.41949	0.2
339.05365	0.5
341.06955	23.4
342.07257	1.5
353.10147	0.2
447.02170	0.2
479.24457	0.3
523.15900	0.2
523.23260	3.5
524.23358	0.4
603.17920	0.3
643.80347	0.2
646.97058	0.2
685.28589	2.4
765.23566	2.5
766.24591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35095	0.3
55.23478	0.4
59.01234	1.5
60.99175	19.5
61.98674	0.3
64.82423	0.3
67.00712	0.3
71.01250	2.3
71.58610	0.4
72.99167	0.7
87.00746	8.0
88.00269	8.6
88.01081	0.9
88.98675	100.0
89.02312	48.7
89.99001	0.8
90.02647	0.9
99.00740	0.3
101.02278	0.6
103.91870	2.4
104.92684	1.6
106.14534	0.3
109.96118	0.4
113.02318	0.6
114.94709	1.4
122.89314	2.0
125.02332	0.3
130.94252	0.5
132.83568	0.3
142.94241	0.6
144.95834	0.3
148.90883	4.3
158.93759	0.8
171.94539	0.5
172.95341	0.9
174.92415	0.4
184.95345	1.0
190.91946	0.3
277.21671	2.7
278.22122	0.5
285.65030	0.4
304.99768	0.4
336.98926	0.3
350.91656	0.3
397.13464	3.9
398.13760	0.6
409.00714	0.5
415.14487	1.5
443.25671	0.3
451.05399	0.7
469.06693	0.9
483.04358	1.7
487.02972	1.1
499.67535	0.4
729.28009	2.3
730.28564	0.6
765.25513	2.8
766.25574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37332	0.4
59.01245	1.2
59.35044	0.3
60.99176	17.8
61.98695	0.4
65.06921	0.4
71.01243	2.0
78.95777	0.5
87.00755	6.3
87.92389	0.4
88.00275	7.0
88.01097	0.7
88.98676	100.0
89.02312	35.7
89.99018	0.6
96.95866	0.6
98.20567	0.8
101.02325	1.0
103.91919	2.9
104.92685	1.7
114.94764	1.3
117.22214	0.3
122.89306	2.2
130.94307	0.8
144.95763	0.6
148.90895	5.2
156.95848	0.7
158.93762	0.7
172.95309	1.0
176.90421	0.6
184.95316	0.8
198.97038	0.4
200.94870	0.4
210.13113	0.3
229.35190	0.4
235.08101	0.6
239.49979	0.4
277.21753	3.1
284.48322	0.4
285.35919	0.4
370.94989	0.4
397.13437	2.3
398.13870	0.5
409.00687	0.6
415.14450	0.9
451.05460	0.8
469.06506	1.9
483.04266	3.1
487.03082	1.5
505.04175	0.9
701.29364	0.4
729.27917	2.8
765.25555	4.5
766.26086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66825	0.2
59.01246	1.3
71.01249	0.6
71.42825	0.2
73.02821	0.3
73.99232	0.2
74.83574	0.2
78.95803	0.3
79.95611	3.7
87.00754	12.0
88.01080	0.3
88.30241	0.2
89.02330	0.2
96.95890	100.0
97.95821	0.5
98.95473	3.8
98.96259	0.6
101.02318	0.3
111.04444	0.3
113.02356	0.2
147.08023	0.2
150.03156	0.2
151.03851	0.4
162.03120	2.2
162.83516	0.2
173.09639	3.7
173.13252	0.3
174.10161	0.2
174.21034	0.2
175.11192	0.5
177.05481	2.1
191.05684	0.3
194.05226	0.2
199.11201	1.0
215.10652	0.3
217.12285	1.2
241.00226	0.6
243.10248	0.7
259.01355	0.4
261.11258	1.1
339.05258	0.4
340.05685	0.2
341.06989	22.9
342.07336	1.5
368.41876	0.2
503.11969	0.3
512.17456	0.2
523.23364	3.6
524.23499	0.6
533.64435	0.2
603.17621	0.4
685.28522	2.7
686.28754	0.7
765.23840	2.9
766.24048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66825	0.2
59.01246	1.3
71.01249	0.6
71.42825	0.2
73.02821	0.3
73.99232	0.2
74.83574	0.2
78.95803	0.3
79.95611	3.7
87.00754	12.0
88.01080	0.3
88.30241	0.2
89.02330	0.2
96.95890	100.0
97.95821	0.5
98.95473	3.8
98.96259	0.6
101.02318	0.3
111.04444	0.3
113.02356	0.2
147.08023	0.2
150.03156	0.2
151.03851	0.4
162.03120	2.2
162.83516	0.2
173.09639	3.7
173.13252	0.3
174.10161	0.2
174.21034	0.2
175.11192	0.5
177.05481	2.1
191.05684	0.3
194.05226	0.2
199.11201	1.0
215.10652	0.3
217.12285	1.2
241.00226	0.6
243.10248	0.7
259.01355	0.4
261.11258	1.1
339.05258	0.4
340.05685	0.2
341.06989	22.9
342.07336	1.5
368.41876	0.2
503.11969	0.3
512.17456	0.2
523.23364	3.6
524.23499	0.6
533.64435	0.2
603.17621	0.4
685.28522	2.7
686.28754	0.7
765.23840	2.9
766.24048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	1.9
59.01252	33.0
69.03323	1.6
69.56753	8.6
69.57165	3.6
71.01251	30.3
72.99200	2.7
73.02821	5.5
76.96865	1.5
83.01263	3.0
85.02827	6.1
87.00773	5.2
89.02319	22.0
96.91001	1.8
96.95892	4.1
97.02818	5.7
99.00812	2.1
101.02322	21.5
101.78455	1.5
113.02316	11.5
119.03413	6.1
125.02315	7.9
131.03430	1.8
136.42999	2.0
138.11406	1.6
143.03392	3.6
161.04463	6.1
179.05515	5.3
235.08231	11.5
244.55231	1.5
287.07727	3.8
305.08643	3.3
305.24847	79.7
306.25204	5.6
323.09842	2.5
397.13501	100.0
398.13870	5.3
415.14529	32.9
416.14655	2.3
544.68182	1.7
679.70190	2.3
732.31573	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	763.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
71.57841	0.6
78.95770	10.2
93.42337	0.4
96.95891	1.2
110.98408	5.7
167.01059	2.1
171.10229	0.6
185.02112	3.2
251.64851	0.5
275.20001	0.5
277.21695	100.0
278.22049	6.3
295.22748	1.4
316.73111	0.5
369.14749	0.9
445.23572	50.7
446.23886	3.9
595.42645	0.6
763.45715	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.0
59.77101	0.4
61.98695	0.8
64.37911	0.4
71.01251	0.9
73.66743	0.4
82.95278	0.5
84.94986	1.5
85.95316	0.4
86.02360	0.6
87.00748	100.0
88.00272	12.7
88.01096	1.1
89.02354	0.5
96.95899	0.6
113.02263	0.5
125.07368	0.4
142.13986	0.4
146.91298	0.8
277.21753	1.3
317.78265	0.4
397.13486	2.8
415.14740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90259	0.1
59.01240	0.6
61.98676	0.2
71.01247	0.4
71.58509	0.2
84.94994	1.4
85.00301	0.3
86.02352	0.5
87.00746	100.0
88.00269	7.2
88.01051	1.1
89.02328	0.3
101.02322	0.3
113.02290	0.3
119.03321	0.2
122.01130	0.2
125.02303	0.2
127.91875	0.2
138.55179	0.2
205.76085	0.2
218.45331	0.2
235.08377	0.3
235.79738	0.2
237.29416	0.2
277.21667	1.4
335.88815	0.2
384.59106	0.2
397.13541	1.8
415.14554	0.6
690.84735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.4
69.03302	0.5
69.44376	3.4
71.01258	1.2
74.91946	0.5
79.95604	3.1
80.96405	0.8
87.00744	2.8
96.95883	100.0
98.19741	0.5
98.95468	4.0
98.96292	0.6
99.37556	0.5
101.02343	0.7
113.02349	0.7
118.84241	0.5
127.64736	0.5
136.01678	0.4
145.06421	0.5
173.09615	1.5
191.05583	0.7
195.08168	0.6
197.09740	0.5
199.11197	1.7
213.09116	0.5
215.10701	2.4
216.11160	0.7
217.12251	1.8
220.15854	0.5
228.07877	1.0
242.09471	2.0
243.10201	7.1
259.01266	1.1
260.01624	0.6
321.15604	1.3
337.03806	1.3
338.04282	0.5
339.05402	29.5
340.05801	2.7
355.04904	2.4
371.23566	0.7
415.22662	0.7
442.69791	0.4
503.20724	1.6
519.20374	0.7
521.21399	5.6
522.22174	0.8
573.17865	0.9
601.17145	4.0
632.59271	0.6
683.26782	0.9
684.29333	0.6
719.22894	0.5
735.23737	1.3
763.22266	9.9
764.22577	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	763.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92134	0.1
79.95605	2.3
96.95884	100.0
97.95814	0.3
98.20550	0.2
114.96972	0.1
134.99956	0.1
223.56636	0.1
272.46649	0.1
306.81464	0.1
339.05389	2.8
340.05713	0.2
577.88263	0.1
601.17468	0.2
763.22797	1.4
764.22510	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	763.227
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91174	0.1
75.77535	0.2
75.90096	0.1
79.95605	2.3
96.55427	0.1
96.95882	100.0
97.95802	0.3
114.60738	0.1
119.23885	0.1
173.20505	0.1
187.11188	0.1
229.35277	0.1
259.09735	0.2
339.05399	1.9
356.09048	0.2
424.85562	0.1
500.95117	0.1
763.22620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12598	0.1
59.01240	0.3
65.04090	0.1
70.30274	0.5
71.01238	0.2
79.95602	3.8
80.77750	0.1
80.96362	0.2
84.45573	0.1
90.49179	0.1
93.03322	0.7
95.04901	0.2
95.95121	0.4
96.95883	100.0
97.95818	0.2
101.02279	0.1
102.55848	0.1
109.56178	0.1
113.02372	0.2
113.73482	0.1
116.73376	0.1
121.06499	1.0
134.25105	0.1
138.96942	0.2
159.04431	0.1
173.05994	0.1
173.09618	0.2
186.06750	0.2
187.11206	1.0
188.11624	0.1
200.08565	0.1
215.10715	1.9
216.11006	0.2
217.12158	0.1
231.10175	0.2
234.60666	0.1
259.01242	1.6
259.09726	2.9
260.10043	0.2
339.05368	2.7
340.05859	0.3
532.18378	0.1
601.17450	2.6
602.17780	0.3
763.22711	5.8
764.23248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	19.2
59.82367	3.0
62.31032	3.7
67.88392	3.3
71.01264	23.8
71.57800	4.6
72.01547	3.1
73.02814	8.1
74.89211	3.2
75.10532	3.4
83.01301	3.8
85.02842	11.5
87.00771	4.3
89.02315	5.1
93.03349	4.8
96.95902	9.9
101.02296	20.4
104.24313	3.9
113.02327	10.5
135.32526	3.2
137.02370	14.1
138.03058	3.8
146.61739	3.5
147.00815	3.7
148.01494	5.2
149.02339	3.8
151.03943	3.9
163.03891	4.5
165.01836	93.4
179.03386	28.1
180.04201	61.8
181.04868	5.6
181.32265	3.4
195.06589	56.6
196.07260	9.9
210.05273	10.1
211.09718	10.8
225.07672	37.8
373.14932	25.0
389.16061	7.1
456.19843	4.2
551.21375	100.0
552.21588	15.1
565.06293	4.0
599.23340	94.2
600.23956	15.9
619.15833	3.6
644.63892	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68877	0.4
59.01244	3.8
61.98690	0.5
65.80914	0.5
71.01248	1.8
72.99186	0.6
73.02818	1.1
78.84119	0.5
79.95602	2.6
80.96392	1.3
83.04919	0.5
85.02842	0.6
87.00721	0.4
88.52075	0.4
89.02317	0.6
91.05395	0.5
96.95886	100.0
101.02334	1.2
102.88080	0.4
112.98686	1.0
127.03815	0.5
138.96970	6.2
157.06514	4.1
170.07230	0.8
171.08040	1.3
173.13266	1.2
181.06500	0.7
185.09642	4.0
195.08104	7.1
196.08354	0.5
197.06006	1.3
198.06790	3.6
203.99506	0.4
211.07501	0.5
212.08345	0.5
213.09143	7.7
214.09816	1.8
215.10660	0.9
217.12285	2.4
239.07053	0.8
257.05624	0.8
257.08154	8.6
258.08389	0.7
259.01263	20.1
259.45328	0.4
260.01782	0.5
268.92636	0.5
322.27765	0.4
337.03845	18.4
338.04163	1.4
403.19348	0.7
404.09082	0.5
431.22031	1.2
475.21317	2.2
519.20178	7.1
520.20477	0.6
599.15881	22.8
600.16516	2.6
761.21118	20.1
762.21631	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	761.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02833	9.6
59.01251	46.7
70.02846	7.9
71.01241	12.4
71.58170	2.9
72.00774	2.4
73.02808	5.9
73.51439	1.7
74.02345	48.9
83.01263	2.2
85.02818	2.3
89.02325	4.7
92.45834	1.9
96.95895	10.1
97.02840	1.9
98.02373	8.9
101.02335	8.6
107.25111	1.9
111.83120	1.6
113.02329	4.6
116.03443	13.0
116.04925	16.5
130.06548	2.1
138.06740	4.2
142.06493	4.5
151.03914	2.4
151.07576	4.5
152.08296	8.3
153.09125	35.9
159.09171	3.9
162.03104	2.2
177.05417	3.2
201.10255	4.3
203.08197	49.1
205.12215	14.0
223.13376	13.0
245.09288	100.0
246.09729	5.4
367.17603	11.5
368.95541	2.2
385.18646	3.4
427.19684	24.6
597.33026	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	761.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.6
71.01257	3.2
71.58156	0.8
73.02812	1.2
76.40707	0.8
79.95609	3.7
80.96391	2.2
83.01237	1.0
85.02814	1.2
89.02305	1.9
90.38006	0.8
96.95888	100.0
97.02803	1.2
98.95486	1.7
99.04391	1.1
101.02347	2.1
109.55646	0.8
113.02343	1.0
114.26324	0.9
119.03381	0.9
138.96974	2.7
157.06487	3.8
161.04414	1.4
165.34537	0.9
170.07225	0.9
171.08037	4.3
171.11697	0.9
173.13264	2.6
174.13687	0.9
181.06483	2.1
183.08080	1.4
185.09648	6.6
191.05486	1.2
194.07257	1.2
195.08080	49.6
196.08427	3.3
197.06018	3.1
197.09692	1.4
198.06770	7.1
203.10641	1.0
209.05956	1.0
211.07764	1.0
213.09134	17.3
215.10654	3.6
217.12318	4.0
221.06390	0.8
227.07137	1.1
241.00206	1.3
257.05667	1.5
257.08157	16.6
258.08609	0.9
259.01270	19.3
337.03833	10.1
338.04065	0.8
413.21115	1.3
475.21445	4.9
519.20166	17.7
520.20361	2.0
555.28259	2.2
556.28253	0.9
563.63062	0.9
599.15759	15.9
600.16119	2.3
681.25507	7.4
761.21179	41.1
762.21521	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	761.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
69.42418	2.5
69.42822	0.7
71.01268	1.4
79.95607	2.9
80.96398	0.8
83.04865	0.4
83.40286	0.4
85.02818	0.9
88.16077	0.4
89.02318	1.0
92.84550	0.3
96.95892	100.0
97.95816	0.5
98.36433	0.4
101.02329	1.1
106.44544	0.4
106.87823	0.4
107.76037	0.3
109.02831	0.7
111.04379	0.4
113.02274	0.5
116.48481	0.4
123.04437	0.5
138.96996	2.2
149.06055	0.4
150.03104	0.4
151.03981	0.4
157.06491	3.5
157.60454	0.4
159.11765	0.6
163.07603	0.9
165.05508	0.8
167.03445	0.5
171.08070	1.8
171.11752	0.9
173.13269	2.1
181.06499	0.9
183.08049	0.4
185.09663	3.2
187.11215	0.4
195.08107	8.8
196.08528	0.4
197.06078	0.7
197.09691	0.8
198.05225	0.4
198.06729	2.1
200.08339	3.1
203.10826	1.8
211.07576	0.5
213.09157	6.1
214.09647	0.5
215.10730	10.6
216.11047	0.8
217.12296	10.4
218.12625	1.2
225.16113	0.4
241.00264	1.2
257.08221	2.6
259.01288	17.4
259.04044	0.8
260.01611	0.5
261.11258	1.0
337.03796	3.7
343.11719	0.5
347.01596	0.4
384.60489	0.4
403.13919	1.1
465.73944	0.4
519.20215	13.3
520.20563	1.5
550.08990	0.4
561.21661	0.4
599.15649	5.2
600.16193	0.5
608.00421	0.5
681.25513	8.5
682.25684	1.3
761.21155	27.7
762.21411	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	761.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	89.7
60.01725	1.3
65.90370	1.6
68.01292	12.8
71.01247	18.5
73.02811	5.5
74.35823	1.6
79.95611	4.4
82.02841	1.6
82.86233	1.7
83.01273	2.1
85.02834	8.9
89.02341	2.8
95.01260	1.9
96.95892	100.0
99.00751	2.0
101.02325	7.8
109.95208	1.7
110.02358	10.7
113.02334	8.1
125.02287	2.7
135.04425	3.3
143.03442	1.8
147.04408	16.0
150.03091	1.7
152.91699	2.0
161.04448	13.0
163.62263	1.6
188.05556	2.2
189.05478	2.3
195.08105	2.3
195.74112	1.6
203.05540	15.2
213.09102	1.8
215.10722	3.9
217.12288	3.4
230.06664	45.7
241.00392	1.8
257.08093	1.9
259.01303	5.9
276.08759	12.4
294.09540	2.1
336.10834	8.5
337.03958	9.2
337.11368	2.1
355.04871	4.1
382.64578	1.7
519.20264	5.2
599.15161	2.3
663.05048	2.0
681.25049	3.9
761.21478	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	759.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	12.3
69.61029	100.0
71.01250	14.6
73.63574	13.0
78.95792	29.0
80.02551	11.8
80.96386	49.2
94.97969	16.2
98.20527	18.1
104.47459	13.3
144.56067	12.6
152.99554	17.1
163.85492	13.6
209.11743	93.3
216.30750	12.4
221.26103	13.9
225.00748	18.4
277.21756	53.6
331.95993	13.8
353.71768	13.3
533.23297	14.8
759.40149	89.8
760.40540	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	759.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93286	8.9
57.34160	7.7
59.01247	20.6
68.66352	8.7
71.01250	32.2
71.30288	18.3
76.69557	9.2
78.95781	15.3
80.96396	75.0
84.84372	8.8
94.97970	10.1
107.10452	9.9
123.58578	9.5
124.32617	8.6
124.73746	8.2
132.97830	9.1
147.05589	9.0
152.98483	14.8
161.23174	8.6
164.98515	13.7
171.10123	13.2
191.61485	11.1
199.13300	11.2
209.11702	66.7
223.87810	9.7
225.00682	31.6
227.12730	13.2
235.08144	9.2
277.21750	100.0
279.23209	21.0
432.82150	9.2
463.21609	13.1
759.39880	57.5
760.39758	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	760.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.2
59.01245	9.8
61.98705	4.8
66.95782	3.1
69.30855	4.8
69.31282	4.7
71.01248	8.8
73.02821	1.7
82.95282	100.0
83.01286	1.8
83.02375	54.7
84.00777	50.8
84.01879	7.3
84.02717	4.2
84.32113	0.9
84.94989	38.7
85.00304	1.6
85.02843	1.8
87.00729	2.4
89.02308	7.5
90.97875	0.9
97.02827	2.1
99.05013	0.8
100.18988	0.9
101.02322	6.8
104.98505	0.9
113.02312	4.5
119.03396	2.6
125.02322	2.7
138.45850	1.0
143.03383	1.7
161.04512	1.3
179.05501	2.8
230.27415	0.9
235.08109	4.5
277.21713	20.9
278.22043	2.7
287.07751	1.5
305.08719	1.0
397.13480	27.6
398.14166	2.3
415.14658	8.9
459.12717	1.0
583.48132	1.1
700.33124	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	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.7
63.96095	2.1
71.01260	5.4
77.32967	2.4
78.95772	2.6
79.95607	2.3
80.96406	10.2
84.25613	2.1
94.97986	2.9
101.02337	2.6
131.61702	2.1
149.29814	2.1
209.11752	66.5
227.12849	21.3
235.08240	9.3
253.09277	8.5
277.21707	100.0
278.21994	12.2
513.30127	3.5
759.40350	26.7
760.40259	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	759.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42750	0.3
57.94500	0.3
59.01242	1.6
69.03314	1.3
71.01241	1.6
71.58175	0.6
72.99219	0.4
73.02807	0.4
81.03329	1.3
83.01250	1.0
85.02827	2.8
88.24283	0.3
89.02322	0.4
93.03332	1.0
95.01249	0.6
95.04887	0.8
96.95901	1.7
97.02808	2.0
99.00757	0.4
101.02312	0.6
105.03302	0.4
106.04116	1.1
107.04926	1.0
108.02045	0.6
109.02832	2.4
113.02322	5.3
119.04906	0.8
121.02837	6.9
122.03625	9.9
123.04403	100.0
124.01546	1.6
124.04750	2.3
125.02347	2.5
131.04984	0.4
133.02853	3.8
135.04463	1.9
137.02336	2.9
139.03947	1.6
145.06479	0.7
146.08391	0.3
147.04411	2.8
149.02344	7.0
151.03914	3.6
153.40544	0.3
154.02681	2.0
159.04453	0.9
161.02351	0.4
161.05992	1.2
163.03944	0.6
165.05515	3.2
166.05862	0.3
167.03409	26.6
168.03773	0.9
173.05957	1.4
175.03922	9.6
177.01842	0.4
177.05496	0.6
179.11771	0.3
181.04948	0.7
187.04037	0.9
191.03471	2.3
191.05438	0.7
193.04999	3.7
201.05461	0.9
203.03360	0.7
205.05034	1.3
209.04498	27.6
210.04851	1.3
214.54388	0.4
217.05014	1.4
219.06601	0.9
221.04515	1.0
222.91457	0.3
223.06122	2.5
231.06564	0.3
233.04474	0.8
235.06073	1.0
239.05569	9.5
240.05928	0.6
253.07172	3.1
263.05542	0.7
265.07071	1.8
269.06641	10.5
270.07086	0.8
275.05649	0.4
293.06659	18.9
294.06891	1.1
295.08035	0.6
311.07639	2.7
313.09378	0.8
329.08789	2.7
335.89435	0.3
602.49725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00188	1.1
57.02829	0.6
59.01247	9.8
71.01250	71.4
72.01563	0.7
73.02821	2.0
78.95776	1.8
81.03273	0.9
83.01253	0.9
85.02811	1.5
87.00748	1.6
89.02306	3.1
97.02845	1.5
99.00743	1.3
101.02306	4.1
101.05923	0.7
109.06448	2.8
113.02315	2.2
119.03427	0.6
120.59605	0.6
125.05988	0.7
125.09628	1.5
127.11175	1.1
135.08075	0.7
143.69858	0.6
153.09050	0.8
161.04459	1.3
163.11163	2.0
169.12282	1.0
171.10173	39.1
172.10535	1.4
181.08627	1.1
181.12215	1.7
199.09676	9.0
199.13368	1.4
201.11256	8.8
207.10214	11.5
208.10413	0.7
225.11220	6.2
235.08192	5.8
243.12326	1.4
253.09253	9.9
259.20737	1.3
277.21701	100.0
278.22061	9.2
286.16595	0.6
291.62305	0.8
461.20050	1.6
629.66919	0.8
721.41498	2.4
722.42413	0.9
739.41998	1.4
757.43695	11.0
758.44086	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	759.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
60.36291	0.3
69.03326	0.7
71.01257	1.4
71.67648	0.3
71.95313	0.3
72.52612	0.3
73.02827	0.4
78.40028	0.3
81.03323	1.0
85.02816	1.6
89.02316	1.1
93.03348	1.7
95.01270	0.5
95.04925	1.3
95.05431	0.2
96.95893	0.4
97.02841	1.1
101.02322	0.9
105.03348	0.4
106.04109	1.3
107.04911	2.1
108.02074	1.6
109.02872	1.7
112.38387	0.3
113.02328	3.2
119.03462	0.3
119.04955	0.4
121.02852	5.4
122.03632	10.0
123.04414	100.0
124.01555	0.9
124.04740	3.1
125.02341	1.2
131.04910	0.3
133.02869	2.8
135.04445	0.7
137.02364	1.7
139.03932	2.1
143.03407	0.6
147.04399	1.7
148.01538	0.4
149.02350	7.3
151.03928	4.8
152.04286	0.3
154.02635	1.2
155.69678	0.3
155.74364	0.3
159.04387	0.6
161.06001	0.4
163.03946	0.9
165.01878	0.8
165.05476	2.7
166.45956	0.3
167.03413	22.4
168.03757	0.6
173.06085	0.4
175.03923	8.3
176.04266	0.4
177.05498	0.4
179.05559	1.0
181.05020	1.1
187.03941	0.3
189.05409	0.3
191.03430	1.8
193.05029	3.2
198.55330	0.3
201.05524	0.6
202.12956	0.3
203.03488	0.4
205.05067	1.2
209.04500	32.1
210.04796	1.6
217.05013	0.6
221.04465	1.2
223.06082	2.6
235.06064	0.9
239.05580	12.0
240.05888	0.5
253.07170	3.2
265.07260	0.6
269.06671	14.5
270.06970	0.6
293.06677	8.4
294.06924	0.4
295.08218	0.6
310.75671	0.3
311.07794	1.4
313.09357	1.1
329.08817	4.6
407.86057	0.3
417.34363	0.3
465.52850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00189	1.1
59.01247	8.1
70.08469	2.3
70.08897	1.6
71.01250	100.0
72.01589	1.2
73.02811	1.6
83.04884	0.9
85.53021	0.6
87.00731	1.0
89.02318	2.4
99.00065	0.6
99.00764	1.5
101.02310	2.9
109.06468	2.6
113.02325	1.6
119.03374	0.9
123.18619	0.7
125.09614	1.9
127.11169	2.0
135.08020	0.7
140.29890	0.7
145.04897	0.8
152.99495	1.0
155.10684	1.1
161.04446	1.9
163.11177	2.0
171.10175	71.2
172.10504	3.1
181.12224	1.7
197.34843	0.7
199.09711	7.4
199.13330	0.7
201.11234	10.3
207.10193	12.9
208.10544	0.9
225.11288	7.1
235.08258	3.8
243.12317	1.3
253.09259	10.5
277.21707	88.3
278.22043	9.2
414.25665	0.8
461.20383	2.5
721.41888	2.7
722.42224	1.0
739.42456	1.2
757.43701	9.7
758.44196	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65403	0.8
59.01249	13.4
63.70661	1.0
71.01254	95.5
72.01577	1.0
73.02816	2.4
78.95768	1.8
83.01233	1.1
84.99064	0.9
85.02839	1.9
87.00748	2.3
89.02314	3.1
97.02837	1.4
99.00752	1.7
101.02322	4.6
109.06457	8.5
113.02335	2.4
119.03425	1.1
120.59985	0.9
125.05923	1.3
125.09602	3.9
127.11172	3.4
135.08051	1.3
137.09563	1.3
146.89194	0.9
152.99405	0.9
155.10701	1.9
161.04512	2.2
163.11189	5.7
171.10176	100.0
172.10509	3.6
179.05495	1.5
181.12254	2.5
185.11821	1.1
199.09682	20.7
199.13321	3.2
200.10104	1.4
201.11253	21.4
207.10201	26.7
208.10495	1.5
225.11266	18.8
226.11623	1.2
235.08153	3.4
243.12332	2.4
253.09236	12.3
277.21710	68.4
278.22055	8.9
320.43494	1.0
417.17612	1.3
435.18634	3.1
461.20316	5.5
529.04401	1.0
540.49988	0.9
691.09698	1.2
695.40161	1.5
721.41626	4.2
722.41949	1.6
739.42975	2.1
757.43579	15.0
758.44305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.8
59.01245	8.9
71.01251	100.0
71.59615	0.7
72.01588	1.3
72.99168	0.8
73.02812	1.8
78.95776	2.3
81.03333	0.7
83.04923	0.7
85.02789	1.0
87.56784	0.7
89.02308	2.7
97.02830	1.1
99.00747	2.5
101.02322	4.7
105.80499	0.6
109.06488	3.6
111.55365	0.6
113.02328	2.4
119.03497	0.7
125.09602	3.0
127.11176	2.5
135.32574	0.7
143.03468	0.7
152.99480	1.8
153.09117	1.2
155.10658	1.2
160.67734	0.6
161.04457	1.2
163.11180	2.8
171.10173	92.2
172.10564	4.7
179.05449	1.3
181.12283	1.9
197.11742	1.1
199.09695	11.9
199.13278	2.0
201.11240	16.3
202.11723	1.0
207.10193	13.3
215.12811	1.1
225.11258	11.3
235.08147	1.9
243.12357	1.5
253.09239	10.4
277.21698	64.1
278.22083	6.4
342.46890	0.8
346.59891	0.6
435.18710	2.4
461.20245	5.0
503.88821	0.7
532.76453	0.8
721.41522	2.8
722.42798	1.2
739.42694	1.3
757.43652	11.0
758.43964	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	36.1
61.98694	2.3
64.78265	1.4
70.88126	2.7
70.88489	1.4
71.01240	7.3
73.02805	1.8
78.95776	2.7
83.01257	1.7
87.00735	4.4
89.02312	3.1
96.95857	1.9
97.02788	2.2
99.00735	7.9
101.02306	4.7
113.02306	1.7
123.08023	1.7
125.09586	5.8
127.11122	3.0
155.10648	3.4
161.04384	2.1
163.11128	3.9
171.10228	1.7
181.12267	4.8
199.09587	1.4
199.13237	7.7
201.11247	47.6
202.11551	2.0
207.10207	10.2
225.11272	19.2
235.08093	7.5
243.12303	6.3
253.09251	7.0
277.21686	100.0
278.22025	8.2
461.19934	1.7
542.51910	1.4
666.39032	1.4
721.41858	3.9
722.41211	1.9
739.42822	10.3
757.43677	95.9
758.44073	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	23.0
61.13042	10.1
69.30582	10.7
70.70454	9.9
70.84284	11.0
71.59003	11.2
78.95758	22.4
80.96392	24.8
83.97261	14.2
90.29794	10.1
102.12453	11.3
105.86458	10.1
207.10210	28.3
225.11253	62.4
234.53777	11.3
277.21661	75.2
356.42310	12.1
371.18979	11.1
385.54303	11.8
461.20248	43.4
721.41101	16.2
757.38843	100.0
758.39380	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.5
61.98700	3.6
64.85002	1.3
69.44393	10.8
71.01252	6.3
78.95770	3.9
87.00763	2.1
88.96930	1.3
89.02299	2.5
97.02789	1.7
98.20531	3.1
99.00720	8.2
101.02322	3.9
113.02294	1.8
125.09601	6.2
127.11163	4.5
137.09552	1.5
155.10651	2.2
161.04430	1.7
163.11247	2.9
165.09082	2.0
171.10155	4.6
181.12268	7.1
183.10132	1.8
196.65964	1.4
199.13358	8.3
201.11259	75.2
202.11581	5.3
207.10222	10.2
217.14392	2.1
225.11261	22.2
226.11526	2.3
235.08148	1.4
243.12273	8.2
253.09251	8.3
277.21710	41.5
278.22131	3.4
281.76880	1.6
433.49112	1.5
461.20175	6.8
479.21140	2.1
721.41870	3.2
739.42767	9.4
757.43707	100.0
758.44073	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	757.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	25.8
71.01212	10.0
75.00735	66.2
78.95792	22.9
80.96387	24.3
82.86688	10.5
84.47358	9.7
89.44641	10.4
89.79317	11.0
97.76388	10.8
118.99054	12.0
135.63390	9.8
207.10165	17.0
223.95662	11.3
225.11287	43.1
277.21707	100.0
432.74673	11.5
721.41675	35.0
757.39221	81.9
759.93158	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.1
71.01249	2.9
74.53017	0.8
78.95776	2.3
80.96405	1.6
83.04911	3.0
85.02828	1.1
87.00748	1.4
89.02338	2.5
101.02326	3.2
113.02369	1.7
115.22068	1.0
161.04501	1.6
163.11205	1.6
165.12662	1.2
167.37144	0.9
167.55615	0.9
209.11771	72.4
210.12083	4.1
227.12834	11.4
235.08202	6.4
253.09337	8.3
259.15500	3.1
277.21725	100.0
278.22153	8.3
301.26923	0.9
336.81976	1.0
462.55206	1.1
475.95282	1.3
543.99854	1.2
682.35168	1.0
755.38397	1.8
781.88843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.0
69.60815	3.9
71.01254	3.5
76.94692	0.5
78.95760	1.1
80.96380	2.8
87.00754	4.4
88.00282	1.2
89.02341	1.2
89.79582	0.6
98.19749	0.8
101.02317	2.0
107.68926	0.5
113.02295	1.3
119.03353	0.8
127.11164	0.9
161.04443	1.5
164.98610	0.6
169.12189	1.0
181.12216	3.9
197.11693	1.1
199.13322	70.2
200.13631	3.7
210.30782	0.6
235.08238	5.4
253.09259	14.3
259.15475	1.0
277.21707	100.0
278.22052	9.9
435.22339	1.4
459.34619	2.8
513.30695	0.9
737.39001	0.9
755.37799	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
58.00469	2.5
59.01247	46.5
59.53648	1.4
61.98692	3.0
69.03307	2.1
71.01249	44.4
71.58303	1.6
71.91750	1.5
72.99173	2.6
73.02803	8.1
73.08590	1.3
74.99255	8.5
75.00735	1.6
78.91775	7.5
78.95763	1.7
80.91551	73.5
81.03278	1.5
83.01247	5.8
85.02812	8.7
87.00735	8.8
89.02311	19.4
95.01279	1.8
97.02832	7.7
99.00738	6.0
101.00823	12.3
101.02307	24.8
102.98745	13.9
110.00468	1.3
113.00831	11.5
113.02303	14.2
114.31792	1.4
115.99504	6.5
117.97448	2.7
119.03373	7.4
125.00837	3.4
125.02338	14.1
126.98717	2.0
129.00352	1.9
130.98294	3.8
131.01823	1.9
131.03398	1.7
139.02432	2.0
141.00325	4.5
141.01604	8.1
143.03372	6.5
143.99037	5.3
153.00316	4.7
153.01505	3.5
161.04446	5.0
165.01559	3.5
167.01906	4.8
168.99896	1.5
171.10165	1.5
173.03014	1.7
179.01913	2.9
179.05507	4.6
183.02684	1.9
196.27780	1.5
201.02470	5.2
207.01314	1.8
210.42816	1.7
221.06566	2.2
227.92909	1.7
235.08128	8.4
243.05055	8.2
244.10069	1.7
253.09329	2.3
257.05212	5.4
261.04605	1.7
275.06308	5.0
277.21713	84.8
278.22052	7.9
305.08829	3.0
314.51801	1.7
345.06714	13.6
346.07196	1.6
359.22021	32.3
360.22131	2.0
391.19705	1.7
393.56577	1.7
397.13480	100.0
398.13651	5.3
405.33588	1.7
415.14542	22.2
419.10934	36.5
420.11053	2.3
435.36841	2.0
437.12396	49.8
438.12524	2.1
544.60364	1.8
577.28271	2.3
675.36420	2.2
697.32910	79.5
697.45111	3.7
698.33136	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	755.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.1
57.03318	4.3
58.00460	1.2
59.01250	65.1
69.03323	2.1
71.01253	47.4
72.99165	2.6
73.02821	10.9
78.95775	2.2
83.01266	7.5
85.02824	23.4
85.99963	2.8
87.00736	4.2
89.02320	14.6
95.01263	6.3
96.95881	3.4
97.02813	2.3
99.00723	4.7
101.02320	26.0
111.00751	2.6
112.01485	1.5
113.02323	22.3
119.03363	5.2
124.01573	1.3
125.02345	4.7
127.05775	0.9
129.01836	1.9
135.04396	0.9
143.03387	5.0
144.08324	0.8
152.00996	1.1
159.02908	1.9
161.04463	4.3
197.15378	1.8
248.32388	0.9
263.35776	0.9
299.26224	1.5
299.88925	0.9
345.30078	5.6
468.93158	1.1
489.24222	0.9
489.34290	5.8
507.35471	7.7
615.37366	1.2
651.39557	100.0
652.39960	16.8
669.40625	62.4
670.40875	9.6
711.41772	26.5
712.42120	6.0
755.32458	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	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28922	2.0
53.87386	2.1
59.01251	19.6
69.02287	1.8
70.76192	5.1
71.01245	3.3
74.35471	1.6
78.95785	4.4
87.00739	2.2
95.70972	1.9
101.02326	2.4
151.11143	2.3
167.76006	1.8
169.12251	100.0
170.12573	5.8
171.10150	27.4
213.11200	2.0
235.08144	5.2
253.09326	5.8
277.21719	69.7
278.22076	6.4
405.21228	8.7
407.19382	2.2
431.19107	2.8
611.67212	2.1
709.41486	15.6
727.43036	10.8
755.41693	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46228	1.4
56.21495	1.3
59.01247	12.3
71.01240	2.6
78.95774	4.8
87.00761	1.4
97.06466	1.6
100.38339	1.3
101.02308	2.3
120.99471	1.5
151.11125	1.6
152.99518	1.7
169.12259	51.2
170.12616	2.2
171.10181	15.3
181.90494	1.6
201.14552	1.4
213.11214	2.1
235.08174	2.5
253.09236	6.9
277.21713	100.0
278.22058	6.2
463.33911	1.7
504.70224	1.5
513.30597	4.4
566.74084	1.6
591.90790	1.6
709.41724	12.6
710.41205	2.2
727.42242	7.0
755.42267	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	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.1
65.48792	0.6
70.16406	0.6
70.30329	2.5
71.01252	2.6
78.95768	0.8
80.96386	1.8
85.02822	0.9
87.00748	1.2
88.39167	0.6
89.02325	1.8
94.97964	0.7
98.19822	0.6
101.02319	2.1
101.95300	0.6
108.35836	0.6
113.02338	1.1
155.15884	0.6
161.04463	1.6
162.13991	0.6
169.12248	2.4
174.95665	0.5
179.05603	0.6
181.12254	9.8
182.12674	0.8
197.11797	0.8
199.13327	100.0
200.13669	4.8
235.08162	1.8
253.09274	16.4
259.15512	1.3
277.21716	63.6
278.22119	6.0
435.21826	0.7
459.34741	9.9
460.35425	1.2
755.37170	1.3
756.36816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98696	2.1
65.08389	1.5
68.64265	1.3
71.01248	12.5
71.57941	1.4
73.02818	16.3
83.01263	3.4
85.02839	1.4
87.00746	1.6
88.98713	1.5
89.02313	2.5
94.98151	1.4
95.96571	1.7
96.95885	7.6
101.02303	9.9
102.67080	1.4
113.02280	2.0
117.06173	1.6
125.02293	1.5
135.08037	2.1
149.05978	3.2
150.06763	27.7
153.59843	1.4
157.40849	1.4
162.06813	2.1
163.07549	27.8
164.07921	2.0
167.28708	1.3
173.06013	3.1
176.08308	11.7
209.11757	10.1
216.11461	2.7
272.17813	1.7
287.20154	2.9
309.20807	4.5
389.60336	1.5
427.66165	1.6
428.29120	11.3
430.30438	2.3
443.31512	9.8
444.31885	2.4
489.32178	73.4
490.32449	10.5
507.32846	2.8
669.38263	2.1
711.39545	84.9
712.39856	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	755.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.8
57.03324	5.8
58.00466	3.1
59.01250	86.8
60.01576	1.8
61.98692	4.5
67.24860	1.4
69.03336	3.5
70.64610	5.4
71.01252	55.9
72.99191	3.8
73.02827	11.5
78.95781	2.5
80.96387	3.0
83.01251	11.8
85.02822	26.6
87.00760	5.0
89.02309	15.3
95.01275	5.6
96.95889	22.9
97.02822	1.7
99.00774	5.6
101.02323	34.2
111.00753	3.8
112.98634	2.6
113.02333	21.9
116.92790	1.6
119.03383	4.8
121.02859	2.3
124.01556	1.6
125.02338	8.1
134.03604	1.9
135.04422	1.8
143.03386	3.8
149.00816	1.6
161.04486	3.9
170.62144	1.6
173.07410	1.6
227.20078	2.0
261.11423	1.7
345.29971	9.0
382.65875	1.8
489.34277	7.8
507.35468	12.0
651.39581	100.0
652.39984	15.6
669.40723	65.5
670.41003	10.5
711.30133	3.0
711.41724	28.1
712.42004	5.6
755.31940	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	755.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.4
57.03319	4.0
58.00452	1.4
59.01249	74.2
59.51201	0.6
69.03304	2.0
71.01252	41.8
72.01567	1.3
72.99175	2.1
73.02437	1.0
73.02817	11.9
80.96379	0.8
81.03339	1.0
83.01257	8.5
85.02818	22.5
85.99963	0.8
87.00729	3.4
89.02319	7.6
94.83231	0.6
95.01265	5.5
95.54592	0.8
96.29028	0.7
96.95866	2.8
96.96818	0.8
97.02825	3.0
98.19761	1.9
99.00765	5.9
100.37952	0.7
101.02316	32.7
107.70747	0.7
111.00764	4.9
112.01540	1.1
113.02322	21.0
114.02686	0.9
118.62614	0.7
119.03363	3.1
124.01556	1.0
125.02331	7.1
129.01785	1.8
141.01787	1.3
143.03410	3.5
159.02879	1.9
161.04463	2.8
161.75311	0.7
162.60347	0.8
197.15349	1.2
220.03668	0.8
237.77386	0.7
263.17914	0.7
283.22861	1.2
299.25809	2.6
345.30045	6.5
346.30267	1.0
385.20010	0.7
489.34396	5.1
507.35342	12.0
508.35480	1.5
615.36200	1.1
651.39539	100.0
652.39948	15.4
669.40607	65.5
669.57275	1.2
670.41071	8.7
711.41742	23.1
712.41388	3.6
755.31812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.7
57.03322	5.6
59.01251	66.5
61.98681	1.9
68.72101	0.9
69.03319	2.4
69.27664	3.2
69.28086	8.2
71.01252	43.2
72.99165	1.6
73.02811	10.7
75.00729	1.1
78.95758	1.2
80.96387	1.7
81.74235	0.9
83.01260	8.1
85.02818	21.9
87.00745	5.8
89.02314	8.9
95.01283	5.9
96.95873	5.4
97.02819	3.4
98.20572	2.0
99.00755	4.3
101.02319	28.0
102.02705	1.2
106.43582	1.2
111.00749	3.2
113.02325	18.1
119.03408	3.0
124.01540	1.7
125.02320	6.8
141.01749	1.0
143.03363	4.9
159.02910	2.4
161.04456	3.6
203.82556	1.1
209.19141	1.8
236.42993	1.0
299.25974	1.4
345.30136	7.4
411.16785	1.1
460.27155	1.1
489.34473	5.1
507.35355	9.8
508.35342	1.7
542.67657	1.0
651.39557	100.0
652.39948	15.4
653.40369	1.4
669.40607	62.7
670.41193	8.1
711.41711	19.8
712.42273	2.3
716.50836	1.1
755.31445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.0
71.01243	1.8
74.98601	0.8
76.24881	0.7
79.95598	0.9
85.02854	1.5
93.03337	3.9
95.01231	0.9
96.95881	12.5
98.20555	1.8
98.61391	0.8
101.02299	1.0
108.02058	1.5
109.02811	3.7
112.98708	1.1
113.02319	1.1
117.03363	1.0
119.04913	1.5
121.02837	11.9
122.03622	15.1
123.00786	0.8
123.04408	2.9
124.01518	1.0
132.02040	1.9
133.02831	8.7
134.03651	7.4
135.04398	2.6
136.01549	2.5
137.02321	2.0
145.02849	4.5
146.03638	4.7
147.04398	6.8
149.02335	30.2
149.05977	9.3
150.03116	100.0
151.03651	4.5
161.02356	2.1
161.05981	3.7
162.03140	3.3
163.03795	0.9
163.97134	1.2
164.04680	5.7
165.05469	91.5
166.05800	3.0
177.01807	1.0
177.05492	3.8
178.06192	1.1
179.07054	5.4
180.04227	5.6
181.04933	1.6
191.05482	2.5
195.06534	43.8
196.06886	1.9
270.08789	1.0
271.09802	1.3
297.04529	0.9
297.11044	1.0
301.11096	0.8
315.08395	1.1
315.12225	1.7
329.10379	1.1
329.13901	1.0
335.36197	0.8
337.03891	0.9
346.14017	2.3
347.14899	4.7
361.16510	15.5
362.17053	1.9
415.17679	2.8
509.21744	32.8
510.21960	4.2
521.21692	3.5
539.22791	7.8
557.23724	5.6
563.22864	5.2
593.23810	0.9
611.24585	2.1
657.26929	14.3
658.27191	2.2
669.27063	2.8
687.27875	9.2
688.28241	1.5
693.48553	0.9
699.27686	1.6
705.29163	10.4
706.28925	2.2
717.28778	1.5
735.30231	3.2
753.31293	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	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.7
57.03319	4.5
58.00462	3.4
59.01251	100.0
60.23881	1.1
66.77779	1.1
69.03334	1.3
69.81937	7.5
71.01255	74.4
71.04882	2.1
72.31506	1.3
72.99187	4.2
73.02828	13.9
75.00745	1.5
75.06810	1.1
78.93203	1.4
80.23040	1.3
81.03320	1.6
83.01262	8.6
85.02821	28.7
85.94031	1.4
87.00745	5.2
89.02319	34.8
95.01250	6.7
96.95873	1.5
97.02851	1.6
97.26974	1.4
99.00756	6.3
101.02322	42.1
111.00770	1.7
113.02328	34.7
115.17125	1.3
119.03401	12.8
125.02345	4.2
131.03355	1.5
143.03391	4.6
159.02879	3.7
161.04465	7.1
179.05495	4.1
179.12079	1.4
241.21732	3.3
263.11374	2.0
306.57050	1.3
307.26175	1.4
309.20715	1.7
326.48544	1.5
421.48898	1.2
469.31653	3.3
487.32742	8.2
488.32977	1.8
497.06580	1.8
505.33566	7.3
529.33417	2.7
649.38013	97.0
650.38483	14.4
667.39117	62.2
668.39691	9.2
709.40210	33.1
710.40845	6.2
757.25317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.63552	0.6
59.01247	0.7
65.00191	1.0
69.49677	5.7
95.78564	0.6
96.95869	1.6
107.01276	1.2
133.02841	3.0
149.02341	1.7
151.00266	3.5
175.03935	1.8
199.03885	1.5
217.04929	1.6
256.03787	1.8
284.03259	15.2
285.04016	100.0
286.04407	6.9
297.03891	0.7
375.80399	0.6
447.09271	0.9
593.15088	52.2
594.15503	5.9
755.20453	10.1
756.20374	2.2
762.66309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	1.5
59.01251	43.0
61.98734	1.9
69.03326	2.0
70.97206	4.9
71.01250	38.7
72.99166	4.3
73.02818	4.9
78.95822	1.5
81.03310	2.1
83.01279	4.0
85.02834	5.8
85.52402	1.6
87.00757	8.6
89.02314	28.9
94.24367	1.8
95.01253	3.5
96.95897	7.2
97.02837	5.8
99.00748	1.9
101.02312	27.1
113.02326	15.6
119.03384	8.3
121.10110	5.5
125.02328	8.7
143.03386	4.1
161.04448	6.1
171.10156	16.1
179.05550	3.9
182.05200	1.9
183.13817	5.1
196.16241	1.8
211.13383	2.1
211.81316	2.1
221.06502	3.1
223.13428	1.9
234.88647	1.8
235.08176	14.4
253.09230	4.0
275.20096	18.2
287.07669	3.0
293.21201	88.6
294.21613	4.6
305.08658	4.8
323.10049	2.3
352.24130	1.7
354.69229	1.9
397.13483	100.0
398.13770	5.9
415.14536	49.5
416.15018	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48413	2.0
59.01252	48.7
61.98687	8.7
64.78074	2.1
70.24978	9.1
71.01246	35.8
71.04894	2.4
72.99165	3.5
73.02814	5.9
77.60715	1.8
83.01250	4.1
85.02823	7.7
87.00760	8.2
89.02307	30.6
95.01226	2.1
96.95881	4.3
97.02827	4.7
98.19910	2.8
101.02306	32.0
101.34210	1.8
107.04886	2.2
113.02341	11.6
119.03387	6.4
125.02312	8.5
139.95886	2.0
143.03389	3.9
147.65164	1.9
151.13336	1.9
161.04437	7.8
179.05504	4.9
221.06793	2.4
223.16870	3.9
223.99123	2.2
225.93033	2.1
235.08119	9.0
235.16966	20.0
253.09296	3.6
263.07785	2.2
275.20117	20.2
287.07611	4.1
293.21204	91.7
294.21509	6.2
300.12280	2.5
305.08752	3.9
327.61575	2.4
397.13449	100.0
398.13718	7.6
415.14496	44.8
416.14825	5.1
518.04840	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	749.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	2.2
59.01249	29.3
61.98703	2.0
71.01249	22.0
71.04885	15.5
72.99187	1.7
73.02814	4.8
77.85844	1.6
83.01248	2.7
85.02834	3.6
85.45695	1.4
87.00755	4.9
87.88543	1.5
89.02315	19.7
96.95884	3.9
97.02826	2.1
97.06465	6.3
101.02316	17.8
112.98727	1.5
113.02342	8.4
119.03377	5.6
125.02308	4.1
133.04979	1.4
143.03371	2.3
161.04434	5.5
171.10249	1.6
179.05595	1.7
181.12265	2.5
181.20866	1.7
195.13725	1.6
207.13777	3.1
208.72276	1.6
219.13969	2.3
235.08144	5.0
235.17006	3.1
248.18634	1.6
253.09180	2.3
291.19650	100.0
292.20020	6.2
305.08737	2.0
351.16840	2.7
397.13477	51.5
415.14529	24.6
416.14786	1.8
459.16858	1.8
626.17059	1.8
635.19006	1.8
689.33636	6.3
729.09100	1.9
735.05164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04403	0.2
55.76683	0.1
59.01248	0.6
67.21061	0.2
71.01244	0.7
71.59473	0.1
71.59851	0.2
78.95774	2.2
79.95609	2.6
89.02324	0.3
94.92349	0.2
96.95886	100.0
96.96876	3.1
97.95806	0.4
98.02339	0.2
101.02322	0.3
144.98099	0.2
255.23285	0.6
277.21765	0.3
361.04590	0.3
385.19016	0.5
388.14822	0.2
397.13565	0.5
435.08270	0.7
453.09338	1.4
691.32092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04696	0.2
53.48287	0.1
59.01254	1.3
64.74306	0.2
71.01243	1.6
72.99176	3.2
73.02804	0.2
74.89031	0.2
75.00743	100.0
76.01061	0.8
77.46954	0.2
80.99759	0.2
82.77170	0.1
85.02823	0.2
87.00745	0.4
89.02321	1.1
93.75584	0.1
95.37720	0.2
97.02812	0.3
99.00812	0.2
100.79683	0.2
101.02315	1.2
108.54381	0.2
113.02303	0.6
119.03387	0.3
125.02325	0.4
125.09487	0.2
133.02838	0.3
135.04390	0.4
161.02286	0.2
161.04443	0.2
179.03337	0.4
179.05617	0.2
197.11526	0.2
228.39439	0.2
235.08138	0.6
253.09329	0.2
276.82144	0.2
277.21704	3.3
278.22006	0.2
287.07779	0.2
293.03012	0.3
293.21008	0.3
305.08975	0.2
307.19113	0.2
323.09677	0.2
349.75131	0.2
390.96304	0.2
397.13486	6.5
398.13916	0.4
415.14529	2.1
482.54083	0.2
675.36237	0.2
730.78467	0.2
751.39471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
62.33152	0.2
70.86581	0.3
70.86897	0.3
71.01261	1.4
72.99177	3.8
75.00743	100.0
76.01091	0.8
78.95782	0.8
83.56739	0.3
85.02827	0.4
89.02309	1.1
96.95878	0.5
98.78991	0.3
101.02325	1.0
113.02312	0.6
118.75628	0.3
119.03359	0.4
125.02324	0.6
132.05836	0.2
133.10414	0.2
194.93881	0.3
203.78488	0.2
213.04153	0.3
235.08145	0.6
277.21661	3.1
321.07800	0.2
397.13425	6.0
398.13705	0.5
413.02029	0.3
415.14493	1.9
416.14886	0.4
421.69376	0.3
431.02750	0.5
462.21289	0.3
473.05966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55638	2.9
59.01250	46.6
61.98698	7.2
69.03329	3.4
70.10964	3.6
71.01259	35.3
71.14338	6.3
71.14710	7.6
71.16866	3.5
72.42896	3.1
73.02814	5.0
75.50246	3.1
79.48859	3.2
85.02818	14.6
87.00748	6.6
89.02307	23.7
96.95871	22.9
97.02826	5.5
101.02311	22.8
111.04449	3.6
113.02309	11.0
119.03345	7.2
125.02301	5.6
125.26351	3.8
131.78046	3.7
132.60535	3.2
140.58434	3.3
178.89078	3.3
235.08073	7.4
235.16927	37.4
238.21564	3.4
249.75244	3.6
255.23328	4.0
275.20190	44.9
293.21188	100.0
294.21643	5.2
392.93518	3.2
397.13510	79.2
398.13724	7.1
415.14542	38.4
581.59760	3.9
691.34729	4.8
707.39838	6.2
751.49451	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57203	2.0
55.84897	2.1
57.03329	2.3
58.00453	2.3
59.01247	32.4
60.80009	2.0
61.98696	26.0
69.88030	11.6
71.01252	21.9
73.02819	7.0
75.86208	2.0
78.95754	2.6
83.01244	2.6
85.02818	5.0
87.00748	6.0
89.02319	15.2
89.75927	2.0
91.11900	2.0
96.95879	9.0
97.02859	2.8
98.10786	2.1
101.02317	14.5
113.02339	4.2
119.03351	3.9
125.02303	3.7
136.76622	2.3
143.03354	4.0
161.04416	3.5
171.10211	2.2
179.05507	2.9
195.13806	5.0
209.11734	4.7
216.20584	2.2
222.76558	2.3
222.95915	2.3
223.11305	1.9
223.13336	3.0
235.08138	4.4
239.90271	2.4
275.20370	2.9
291.19669	3.7
292.19690	2.6
293.21201	100.0
294.21747	10.9
353.16647	2.9
397.13568	28.8
398.13699	5.9
415.14557	32.3
416.14832	3.4
503.33923	4.0
527.28876	5.3
545.30652	3.1
587.31219	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	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	2.0
59.01238	7.1
65.79343	0.5
69.03336	0.5
69.79207	3.2
71.01257	3.8
73.02814	0.7
74.96769	0.5
75.92329	0.5
81.03325	0.7
85.02822	2.0
89.02335	0.8
93.03326	3.3
94.03658	0.6
95.01260	0.8
96.95877	2.8
97.02822	0.9
98.20481	0.7
99.00765	0.8
101.02325	1.8
106.04118	11.9
107.04941	18.4
108.02032	4.5
108.04665	0.6
108.05261	4.9
109.02332	0.9
109.05357	0.7
111.00782	0.7
113.02335	4.0
114.02654	0.7
117.03305	0.8
119.04913	5.1
120.05228	1.6
121.02834	5.2
122.03613	2.0
123.04398	5.9
124.04786	2.3
125.02345	2.2
130.04160	0.7
131.04935	2.6
132.02057	0.7
132.05255	1.2
132.94447	0.7
133.02841	33.1
134.03183	10.9
135.03348	2.0
135.04420	2.3
136.01552	3.7
137.02354	1.0
137.05934	0.6
138.03078	0.8
143.03346	0.8
143.04889	0.8
145.02824	0.9
145.05891	0.6
146.03391	0.6
147.04401	8.7
148.04758	2.9
149.02348	5.6
149.04907	1.0
149.05981	1.7
150.03133	18.3
151.00233	0.9
151.03911	42.3
152.04243	13.8
153.04433	4.2
161.04547	1.3
161.05988	5.7
162.05122	0.5
162.06325	2.9
163.03938	1.8
163.06540	1.0
164.04657	1.6
165.05479	50.8
166.02748	2.7
166.05824	15.6
167.03462	0.6
167.06009	4.0
175.03912	100.0
176.04250	47.0
177.04430	15.7
178.04660	0.8
180.04234	1.0
181.04970	3.9
185.05972	0.8
187.03952	1.2
189.05548	1.3
190.06277	1.7
191.03351	0.6
193.04984	39.4
194.05322	18.5
194.07143	1.0
195.05203	3.5
195.06540	11.0
203.06932	0.6
205.05005	12.3
205.08627	0.6
206.05313	6.4
207.05554	1.7
217.05019	1.3
218.05365	0.8
223.06064	23.3
224.06378	12.6
225.06578	7.5
235.06105	4.4
236.06424	2.5
237.06538	2.3
237.51604	0.5
253.07143	33.0
254.07494	20.4
255.07681	11.5
256.07980	0.7
295.08191	1.5
296.08661	0.7
313.09268	6.5
314.09647	4.2
315.09799	2.9
357.13528	2.6
372.12076	0.6
386.88455	0.6
387.14499	12.0
388.14627	1.0
394.65790	0.7
415.44830	0.6
452.70859	0.7
497.27493	1.2
520.17102	0.7
535.19659	13.9
536.19843	2.0
583.21741	6.6
584.22552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20099	0.5
59.01254	100.0
60.01600	1.1
60.76439	0.5
64.21920	0.4
71.01257	6.7
73.02837	2.3
77.56710	0.5
78.94928	0.5
83.01271	1.3
83.85700	0.5
84.78197	0.5
85.02829	4.0
90.39659	0.5
95.01271	0.8
96.95900	1.6
99.00760	0.9
101.02333	5.2
113.02357	2.6
117.48073	0.5
139.14781	0.5
156.33401	0.5
159.03098	0.5
161.04468	3.6
217.12323	0.7
257.07925	0.6
261.11371	1.0
379.21356	1.7
397.22458	6.9
398.23145	0.6
439.23373	9.5
440.23737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	1.4
59.01251	19.3
60.92560	1.3
61.98706	2.3
70.52599	3.3
71.01247	17.5
72.99186	1.9
73.02811	2.6
79.93912	1.8
83.01259	2.0
85.02811	4.8
87.00753	5.6
89.02334	13.5
95.17851	1.4
96.95882	9.7
97.02773	2.5
98.95461	1.8
101.02309	12.4
113.02313	6.3
119.03371	5.2
125.02317	5.2
125.05891	1.4
161.04366	2.1
165.12755	19.6
179.05461	2.2
235.08134	5.7
247.20630	8.1
273.18509	6.4
275.82410	1.4
287.07831	2.2
291.19653	100.0
292.19983	7.4
305.08484	1.7
397.13489	47.1
398.13742	4.0
415.14600	23.9
416.15005	1.6
473.65469	1.5
477.25174	1.6
565.07654	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	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	2.0
59.01238	7.1
65.79343	0.5
69.03336	0.5
69.79207	3.2
71.01257	3.8
73.02814	0.7
74.96769	0.5
75.92329	0.5
81.03325	0.7
85.02822	2.0
89.02335	0.8
93.03326	3.3
94.03658	0.6
95.01260	0.8
96.95877	2.8
97.02822	0.9
98.20481	0.7
99.00765	0.8
101.02325	1.8
106.04118	11.9
107.04941	18.4
108.02032	4.5
108.04665	0.6
108.05261	4.9
109.02332	0.9
109.05357	0.7
111.00782	0.7
113.02335	4.0
114.02654	0.7
117.03305	0.8
119.04913	5.1
120.05228	1.6
121.02834	5.2
122.03613	2.0
123.04398	5.9
124.04786	2.3
125.02345	2.2
130.04160	0.7
131.04935	2.6
132.02057	0.7
132.05255	1.2
132.94447	0.7
133.02841	33.1
134.03183	10.9
135.03348	2.0
135.04420	2.3
136.01552	3.7
137.02354	1.0
137.05934	0.6
138.03078	0.8
143.03346	0.8
143.04889	0.8
145.02824	0.9
145.05891	0.6
146.03391	0.6
147.04401	8.7
148.04758	2.9
149.02348	5.6
149.04907	1.0
149.05981	1.7
150.03133	18.3
151.00233	0.9
151.03911	42.3
152.04243	13.8
153.04433	4.2
161.04547	1.3
161.05988	5.7
162.05122	0.5
162.06325	2.9
163.03938	1.8
163.06540	1.0
164.04657	1.6
165.05479	50.8
166.02748	2.7
166.05824	15.6
167.03462	0.6
167.06009	4.0
175.03912	100.0
176.04250	47.0
177.04430	15.7
178.04660	0.8
180.04234	1.0
181.04970	3.9
185.05972	0.8
187.03952	1.2
189.05548	1.3
190.06277	1.7
191.03351	0.6
193.04984	39.4
194.05322	18.5
194.07143	1.0
195.05203	3.5
195.06540	11.0
203.06932	0.6
205.05005	12.3
205.08627	0.6
206.05313	6.4
207.05554	1.7
217.05019	1.3
218.05365	0.8
223.06064	23.3
224.06378	12.6
225.06578	7.5
235.06105	4.4
236.06424	2.5
237.06538	2.3
237.51604	0.5
253.07143	33.0
254.07494	20.4
255.07681	11.5
256.07980	0.7
295.08191	1.5
296.08661	0.7
313.09268	6.5
314.09647	4.2
315.09799	2.9
357.13528	2.6
372.12076	0.6
386.88455	0.6
387.14499	12.0
388.14627	1.0
394.65790	0.7
415.44830	0.6
452.70859	0.7
497.27493	1.2
520.17102	0.7
535.19659	13.9
536.19843	2.0
583.21741	6.6
584.22552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	3.3
58.64194	3.4
59.01241	25.8
62.85533	2.8
70.06425	15.3
70.10874	3.2
77.11359	2.8
78.95775	99.8
83.04877	4.2
96.96845	8.6
111.04407	19.7
120.07390	3.1
152.99501	50.6
171.10211	6.9
173.13274	14.8
175.07518	5.0
183.13802	4.3
195.13838	3.9
199.11224	4.9
211.13336	4.7
217.12280	71.3
261.11285	100.0
271.22687	7.9
277.21698	17.3
279.23300	18.1
279.53192	3.4
281.24835	22.6
291.23282	7.7
295.22699	19.1
303.12164	3.5
311.22171	5.2
327.21741	5.9
413.21109	3.4
415.22299	5.1
431.21695	10.4
447.21497	5.4
449.26611	10.3
463.21307	7.1
465.22601	4.0
743.44946	44.2
744.45740	6.9
773.04700	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61444	9.1
62.72010	10.1
70.61199	10.1
78.95782	31.2
88.80663	8.7
96.45210	8.2
98.20504	17.8
117.39141	9.9
141.02620	10.5
141.48688	8.5
152.99504	19.2
170.74557	9.8
225.20689	9.1
229.17842	9.9
255.23277	100.0
277.21753	79.2
743.48627	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
59.26430	0.3
69.51875	2.3
70.99477	0.4
71.01254	1.1
72.99156	0.4
84.02063	0.4
85.02816	0.8
87.00722	0.5
93.03348	1.1
96.95895	4.6
98.19814	0.8
101.02296	0.8
107.04910	0.5
113.02326	1.0
115.71365	0.4
117.03349	3.7
119.04916	100.0
120.05241	3.4
121.02857	1.9
122.03642	2.1
123.04394	0.4
133.02850	1.1
135.04433	0.9
136.01558	1.9
137.02293	0.5
138.03162	0.4
142.97981	0.6
145.02855	18.1
146.03226	0.8
147.04362	0.5
149.02344	3.3
149.06012	0.4
150.03127	12.8
151.00281	0.6
151.03922	4.9
152.04214	0.8
164.04716	0.7
165.05479	12.8
166.02615	1.7
167.03403	0.5
171.15457	0.3
175.03931	2.6
176.04375	0.7
177.05501	0.5
179.03320	0.4
180.04115	1.1
181.05000	1.9
189.05490	0.5
190.06250	0.7
191.05579	1.2
193.04959	0.9
194.05377	0.5
195.06560	8.6
223.06091	0.7
242.38777	0.4
249.14871	0.4
273.16025	1.1
299.14020	2.6
316.16669	6.0
329.10266	0.6
342.14572	19.0
343.15005	1.5
356.12671	0.5
357.13492	0.9
372.12097	0.4
387.14508	5.8
411.20346	0.5
436.22357	1.5
453.21033	2.4
462.20325	17.9
463.20874	1.9
535.19763	7.5
582.26074	59.6
583.27722	7.4
744.31689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.9
59.01255	3.7
69.89379	0.9
70.29865	3.2
71.01244	1.8
75.74540	0.8
101.02309	1.4
106.04108	9.7
107.04917	13.4
108.02017	2.5
113.02332	2.8
119.04910	3.1
121.02828	2.8
123.04417	4.6
125.02315	1.0
131.04909	2.4
133.02841	25.4
135.04419	1.0
139.85527	0.9
147.04442	8.3
151.03906	32.4
152.04236	1.8
161.04568	1.5
161.05983	4.4
162.44366	0.9
165.05473	27.8
175.03911	100.0
176.04269	3.9
193.04976	34.8
194.05319	2.0
197.73114	0.9
199.09715	0.9
204.99831	1.0
205.05031	11.2
217.05028	1.4
218.71098	0.9
220.93617	0.9
223.06065	25.6
224.06346	2.4
235.06189	5.6
246.62460	0.9
253.04436	2.0
253.07126	38.1
254.07471	3.2
295.08255	2.4
313.09250	8.2
422.71301	1.2
646.21393	0.9
738.52417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	46.7
71.01256	32.3
71.57671	4.8
71.58077	3.9
73.02802	6.4
80.29848	3.8
82.20030	3.9
85.02821	9.2
85.29972	3.6
87.00728	4.8
89.02306	24.5
91.64272	3.9
96.95886	13.5
101.02303	13.3
110.71479	3.8
113.02316	13.5
118.72280	4.0
119.03400	5.8
129.10551	3.9
150.38721	4.2
162.03142	14.2
191.05603	4.8
233.82660	5.6
281.08347	4.9
307.13864	12.8
314.11758	7.4
326.11487	9.5
327.12570	8.1
329.14008	7.0
341.13928	11.0
415.80173	4.1
476.16800	9.2
491.19174	100.0
492.19211	14.4
503.19168	66.5
504.19608	13.3
521.20325	40.7
522.20905	10.2
550.56714	4.7
652.23871	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	741.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08601	1.1
55.01773	1.3
58.00463	1.6
59.00948	1.7
59.01246	29.0
59.08996	1.2
61.98687	6.0
63.17231	1.2
63.41945	1.2
66.70581	1.2
69.03304	1.8
69.98877	1.1
70.89576	1.9
70.92613	1.2
71.01247	23.3
72.99180	2.3
73.02825	3.9
78.02857	1.3
78.74710	1.2
78.95772	70.0
83.01242	1.9
85.02812	5.6
85.39474	1.3
87.00760	5.2
89.02308	21.5
95.01230	1.9
96.96831	3.9
97.02841	5.0
99.00721	1.7
101.02323	18.3
113.02335	8.4
116.97268	1.3
119.03392	5.8
125.02351	9.3
143.03352	2.3
151.63168	1.5
152.99490	36.0
161.04443	3.9
171.10146	3.5
179.05504	4.2
181.12331	1.6
183.13789	1.8
187.09666	2.7
195.13832	1.9
197.11746	2.3
211.13348	3.4
221.06548	2.1
224.09312	1.3
225.11267	1.9
225.95216	1.2
235.08163	15.0
253.21729	2.2
255.23337	1.7
277.09409	2.1
277.21747	11.9
279.23300	5.8
283.26413	64.1
284.26776	4.5
287.07675	3.0
293.21237	8.4
295.22772	6.1
305.08740	4.2
311.22299	3.3
327.21786	2.7
354.82458	1.5
397.13480	100.0
398.13626	6.2
413.20731	1.8
415.14572	29.4
429.20688	3.0
431.21710	6.2
445.20105	2.7
447.21295	7.9
449.23239	1.7
463.20987	7.1
465.22763	1.7
490.87686	1.4
505.25842	4.9
681.40033	3.0
741.43512	33.5
742.44019	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	741.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03319	0.5
59.01249	100.0
59.55735	0.3
60.01585	1.2
68.58496	0.3
69.63089	2.5
71.01252	12.4
72.99183	0.5
73.02816	3.5
79.47554	0.4
80.42822	0.3
83.01270	1.6
83.49908	0.3
85.02816	5.5
87.00774	0.7
89.02311	4.4
95.01283	0.9
96.95906	1.5
99.00774	1.5
101.02317	10.2
101.02996	0.5
113.02332	5.3
119.03409	1.6
132.21736	0.4
143.03465	0.9
159.02951	0.8
161.04465	6.1
165.09132	1.8
179.05559	0.8
191.57648	0.3
223.13512	0.3
269.10272	10.4
269.13101	0.6
270.10977	0.4
311.11313	5.6
385.18759	1.1
656.80530	0.4
749.27783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18264	2.0
59.01245	18.7
61.98696	3.4
70.61152	4.5
70.61557	4.6
71.01244	5.8
73.02816	3.0
78.95773	4.8
83.04891	2.5
85.02795	2.9
87.00755	2.8
89.02333	5.1
96.95892	8.9
101.02335	4.5
113.02336	3.9
209.11752	100.0
210.12059	5.2
227.12811	26.7
231.66341	2.2
253.09282	6.1
313.32101	2.3
445.20746	9.3
447.12210	2.1
570.55994	2.1
655.33075	3.4
741.34821	20.1
742.35229	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	13.3
61.98708	2.4
71.01256	7.2
71.45840	1.5
72.99162	1.7
73.02822	1.9
79.95598	2.0
85.02827	3.9
87.00775	2.4
93.03333	40.3
96.95898	28.4
97.02827	1.8
101.02359	2.3
107.04919	14.2
109.02834	2.1
113.02323	4.8
123.04405	3.1
125.02340	2.9
132.92046	1.3
133.02867	4.5
135.04375	2.3
145.02811	2.6
145.39580	1.4
151.03903	1.9
173.04575	1.4
183.08078	6.0
191.05573	5.7
195.08119	5.1
196.05200	3.5
197.06003	5.6
199.07571	7.1
211.07605	29.4
212.08386	17.8
213.09149	100.0
214.09529	5.9
221.06064	2.6
237.09209	2.9
239.07097	38.6
240.07472	2.3
244.07361	18.2
253.08513	1.5
257.08163	42.8
258.08566	1.9
261.11328	3.0
267.10269	2.1
271.09763	8.3
281.08130	2.2
283.06125	4.1
299.09225	40.5
300.09503	2.4
301.03784	1.9
301.07156	49.3
302.07529	2.9
311.09128	2.3
317.19604	10.1
325.07227	1.7
343.08154	22.0
355.04837	2.6
373.09265	35.1
374.09717	3.2
385.08972	2.1
403.10263	38.4
404.10330	2.1
427.10086	8.0
429.11841	4.4
433.11270	1.5
445.11456	11.6
463.12457	40.6
464.12903	3.9
469.11377	3.6
471.12790	2.6
499.12411	12.3
501.13910	3.9
529.13696	14.9
530.13989	2.6
571.14478	2.1
589.15558	23.4
590.16357	2.1
741.20844	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	740.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11790	0.2
59.01249	3.7
60.01591	0.5
60.60355	0.2
61.01664	0.3
61.98701	100.0
71.01278	0.5
73.02841	0.3
81.03321	0.8
82.03699	0.2
83.04898	2.3
84.05245	0.8
96.95904	1.5
98.20654	0.4
104.59828	0.3
166.49376	0.3
197.23703	0.3
207.15126	0.2
225.15984	1.1
226.16428	1.1
227.16661	0.4
284.22739	0.3
452.33774	0.9
453.33908	0.7
550.25977	0.3
666.04211	0.4
677.49927	0.3
678.49841	2.1
679.50238	10.2
679.61633	0.5
680.50500	14.6
681.51489	0.7
740.49518	0.9
745.63239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44407	0.3
57.01964	0.3
59.01251	13.9
60.01565	0.4
61.98698	1.9
69.59088	0.3
69.86988	2.3
71.01248	0.8
75.00751	0.4
77.03841	2.3
78.95782	1.0
83.04906	0.6
93.03346	0.5
96.95893	0.4
98.19763	0.4
98.43873	0.3
103.91138	0.4
121.02843	100.0
122.03181	3.0
137.02353	0.4
141.00607	0.7
141.01608	8.1
142.02003	0.7
152.99506	0.7
165.01842	75.8
166.02231	2.1
171.10156	0.6
172.07011	0.4
180.05705	0.8
181.06516	3.2
183.13791	0.6
191.03432	1.2
196.52565	0.3
197.06038	0.5
209.11766	7.3
210.12086	3.3
213.14923	1.1
223.02055	0.6
225.05507	1.3
227.12856	1.2
235.08202	0.6
235.17072	0.5
253.09319	1.2
275.20169	1.1
276.20566	0.9
277.21719	2.2
279.23297	1.8
280.23621	1.3
281.24387	0.7
291.01801	0.5
293.21271	2.5
294.21426	1.7
309.20685	0.9
313.07187	2.1
357.06128	11.3
357.10394	0.7
358.06680	0.7
422.35464	0.4
741.14563	4.2
742.15479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05655	0.1
59.01250	2.5
60.01582	0.2
61.98701	100.0
62.98393	0.2
71.01250	0.9
73.02815	0.2
80.96410	0.4
85.02837	0.1
87.00730	0.2
89.02331	0.4
99.00712	0.1
100.91018	0.1
101.02283	0.6
102.02661	0.2
113.02341	0.3
125.02315	0.2
135.58589	0.1
161.04526	0.2
185.58029	0.1
209.11781	0.1
222.53253	0.1
235.08171	0.2
250.41335	0.1
278.22391	0.2
279.23337	0.9
280.23700	1.1
281.23996	0.7
282.24130	0.2
397.13574	0.4
398.13840	0.9
399.13934	1.5
400.14359	0.7
415.14893	0.2
416.14984	0.5
417.15085	0.4
418.15280	0.2
577.27008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
58.00439	0.7
59.01249	16.8
61.98031	0.6
61.98696	5.7
69.03316	0.9
70.86923	1.4
71.01253	11.5
72.99205	1.0
73.02832	2.5
74.28610	0.6
78.95764	2.2
81.03344	0.7
83.01221	0.9
85.02823	2.4
86.44807	0.6
86.45461	0.6
87.00761	1.6
89.02318	4.6
95.01248	1.4
95.04913	2.0
97.02844	2.5
99.00746	1.6
99.01488	0.6
99.04380	0.8
101.02332	6.3
101.05984	0.8
109.06465	4.1
110.03616	0.8
111.00790	0.7
113.02333	2.8
119.03368	1.0
125.02280	0.8
125.09589	1.8
125.13437	0.6
127.11192	2.5
132.59848	0.6
143.03395	1.5
145.04997	0.8
151.11195	0.9
152.99490	1.3
153.09012	0.8
161.04436	2.4
163.11154	4.9
171.10179	95.3
172.10524	3.0
179.05539	1.0
180.22964	0.6
181.12260	2.5
183.10284	0.8
185.11797	1.1
189.09137	2.5
197.11798	1.5
201.11261	13.6
207.10202	15.2
209.11740	2.1
215.12784	1.3
225.11273	49.3
226.11594	2.4
235.08231	5.2
243.12309	3.5
253.09262	10.8
277.21716	100.0
278.22034	8.3
279.23300	7.9
280.23590	2.7
295.10443	1.0
306.91669	0.6
397.13492	2.3
407.19189	2.6
412.40491	0.7
443.19150	2.7
461.20279	9.5
479.21399	0.9
721.41565	3.7
739.51038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76517	0.6
59.01252	9.7
60.89674	0.6
61.98726	0.7
63.09186	0.6
69.03342	0.9
70.02377	4.0
70.71621	0.7
71.01248	8.5
72.99178	0.7
73.02817	3.4
73.15216	0.7
78.95782	5.1
83.04886	0.7
85.02824	2.9
87.00750	1.7
89.02322	2.3
90.93438	0.7
91.03880	0.6
95.01264	1.3
95.04887	0.8
96.95865	0.6
97.02816	3.0
98.19796	0.9
99.00743	5.0
101.02312	4.9
107.77821	0.7
108.40837	0.6
109.06483	4.2
113.02306	2.8
119.03391	1.0
125.09595	2.9
127.11160	1.0
136.05225	0.9
143.03433	0.8
145.05005	1.1
148.12373	0.7
152.99428	2.1
161.04420	2.1
163.11189	4.2
171.10172	29.0
172.10596	0.8
179.05490	1.3
179.10736	1.0
181.12263	7.2
185.11754	1.6
197.11751	1.2
198.12007	1.0
199.09679	2.0
199.13339	1.0
201.11255	15.0
207.10194	26.2
208.10489	1.4
215.12856	2.9
225.11259	47.7
226.11565	2.4
235.08086	3.8
243.12346	8.5
253.09204	9.0
277.21704	100.0
278.22058	8.2
279.23264	8.0
280.12909	0.7
280.23508	3.2
293.21173	1.4
331.54590	0.7
407.19308	0.9
443.18976	3.3
461.20370	7.5
462.20590	1.1
504.68192	0.8
524.42249	0.7
721.41595	8.6
722.41705	1.7
739.41382	9.3
739.54108	1.3
740.42865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01253	6.0
61.98703	1.0
68.48714	0.5
69.03318	0.9
71.01252	7.9
71.04903	5.4
71.58933	0.5
73.02808	1.1
78.95774	6.2
83.01240	0.7
83.04877	0.7
85.02818	1.7
87.00733	2.4
89.02305	1.9
95.04905	1.1
96.96870	0.6
97.02841	3.8
97.06468	4.4
99.00764	19.5
101.02329	4.2
109.06494	1.6
113.02303	2.3
119.03397	0.7
123.08039	2.6
125.02363	0.6
125.09616	9.6
135.08064	1.2
136.05171	0.7
142.02626	0.8
145.04909	0.8
145.10089	0.6
152.99509	3.2
153.12769	0.8
161.04486	0.8
161.09503	0.9
163.11200	14.2
164.11617	0.5
171.10182	2.9
179.10645	0.6
181.12260	22.5
197.11722	2.2
199.13341	6.5
201.11194	0.8
207.10213	23.6
208.10580	0.8
225.11282	32.1
226.11555	1.8
235.08142	1.7
240.15804	0.6
243.12337	13.5
253.09294	3.0
277.21729	40.4
278.22046	2.4
281.25018	2.7
293.21262	0.7
397.13345	2.0
429.20364	0.9
445.20285	1.0
461.20389	3.4
479.21381	4.6
577.37231	0.8
739.42737	100.0
740.43005	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60838	1.5
54.60091	1.6
55.01744	1.6
56.48210	1.2
58.00465	2.0
59.01251	13.2
68.99635	1.3
69.22604	1.5
70.45210	5.8
71.01250	18.7
73.02817	2.8
85.02827	2.1
87.00745	2.3
89.02308	3.8
95.04862	2.1
97.02820	3.6
97.06461	1.9
99.00765	13.1
101.02309	6.1
109.06420	2.9
113.02295	2.3
125.09590	5.1
148.99463	1.4
161.04478	2.8
163.11188	8.9
165.08989	1.7
169.83742	1.6
171.10159	27.9
181.12280	15.1
197.11694	3.9
199.13350	23.8
201.11203	3.2
207.10199	32.2
225.11273	68.9
226.11469	2.4
235.08066	3.7
243.12393	13.3
245.09212	1.6
245.11807	1.7
252.81479	1.6
253.09189	9.7
277.21704	100.0
278.22104	9.3
279.22940	1.7
461.20065	8.5
479.21100	3.5
721.41486	6.6
739.42621	87.9
740.42969	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16400	0.6
57.03299	1.3
59.01248	10.7
66.78466	0.7
70.16456	3.2
71.01250	6.1
71.04892	3.6
73.02811	1.0
73.85205	0.6
78.95777	6.4
80.02546	0.8
83.04884	1.3
85.02791	0.8
87.00723	1.1
89.02288	3.1
90.90490	0.7
97.02834	4.0
97.06464	2.8
99.00156	1.3
99.00758	18.0
101.02322	5.1
109.06467	1.9
113.02322	1.3
114.32989	0.7
123.08058	1.3
125.09612	7.4
135.08029	1.1
142.02597	1.7
152.99490	3.5
153.12717	1.3
163.11192	10.3
171.10202	3.6
177.34631	0.8
181.12263	18.7
199.13347	14.1
207.10211	31.5
217.00253	1.7
225.11285	46.7
226.11580	2.4
243.12357	27.3
244.12473	0.8
253.09305	2.4
255.43741	0.7
277.21729	22.0
278.22052	2.0
293.21252	1.9
317.15961	0.9
384.34088	0.8
397.13367	1.7
445.19858	1.1
461.20279	4.1
462.19501	0.8
479.21313	12.0
721.41455	1.1
727.32410	0.8
739.42719	100.0
740.42908	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50029	0.8
54.79985	0.9
57.03313	1.5
59.01244	10.8
65.83261	0.8
71.01249	8.9
71.04884	2.4
73.02813	2.0
78.95770	1.0
85.02815	2.6
87.00766	1.5
89.02313	2.3
95.04898	0.9
97.02838	4.2
97.06456	2.6
98.19746	1.5
99.00747	15.0
101.02308	4.7
107.47874	0.9
109.06454	2.0
110.03564	1.1
113.02319	3.5
123.08095	1.6
125.09625	7.3
136.05173	1.0
142.02530	1.3
161.04448	2.4
161.09578	1.7
163.11183	8.4
171.10152	12.9
179.10654	1.2
181.12273	14.2
197.11722	1.8
199.13327	11.4
201.11304	3.0
207.10211	31.0
207.54478	0.8
225.11263	57.0
226.11551	3.6
228.34576	1.0
233.22604	1.3
235.08150	4.1
243.12341	8.4
253.09244	5.4
257.69507	0.9
277.21701	100.0
278.22000	7.7
378.55447	0.9
443.19373	2.0
461.20276	8.2
462.20758	1.0
479.21606	2.0
601.50348	1.0
721.41650	8.7
722.41803	1.4
739.42664	96.1
740.43176	16.2
769.98096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	3.9
57.43385	2.7
57.81532	3.6
59.01249	38.9
63.47895	2.6
66.36772	2.4
69.36736	8.4
69.37148	19.2
71.01254	42.6
71.04890	2.7
72.99181	3.2
73.02821	5.7
78.95779	31.9
83.01250	3.7
85.02821	6.2
87.00764	7.1
89.02306	28.1
96.73875	2.8
97.02845	9.5
99.00736	5.0
101.02314	22.2
111.04418	3.5
113.02300	14.6
119.03372	6.9
125.02333	7.0
143.03409	4.4
151.11168	3.1
152.99493	19.0
158.43266	3.1
161.04495	3.8
163.11194	5.8
171.10182	12.5
179.05472	3.8
181.12209	5.1
197.11734	6.6
201.36157	3.7
207.10220	13.7
223.13596	2.9
225.11270	43.3
235.08203	11.5
243.12247	6.9
253.09317	11.7
277.21725	64.5
278.22073	4.8
279.22989	5.6
280.23892	3.6
281.24829	80.9
282.25131	7.2
293.21201	8.6
305.08728	5.8
397.08353	5.5
397.13483	100.0
398.13907	5.1
401.51773	3.1
415.14471	28.4
429.20337	6.4
445.19650	4.5
461.20239	4.5
479.21774	3.5
739.42371	39.4
740.42767	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	739.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.2
57.03315	2.8
58.00464	1.8
59.01245	75.0
60.01587	0.9
69.03321	2.0
69.62381	6.1
71.01249	46.9
72.01596	0.9
72.99167	2.3
73.02809	12.5
74.22360	0.8
81.03344	1.1
83.01246	6.7
85.02818	26.8
85.99949	1.6
87.00750	4.4
89.02317	11.7
95.01250	5.9
96.95872	1.4
97.02812	3.9
99.00752	6.2
101.02313	31.0
104.60057	0.8
111.00781	3.9
112.01556	1.8
113.02325	23.6
119.03395	3.1
124.01549	2.5
125.02318	5.6
129.01839	1.5
143.03439	3.8
152.99542	1.0
159.02869	2.9
161.04478	4.0
244.19684	0.8
251.80724	0.9
279.23187	2.6
283.26358	2.1
329.30505	2.3
455.97333	0.9
473.34888	4.7
491.35947	9.0
492.36597	1.4
587.38318	1.1
635.40088	100.0
636.40558	13.0
653.41107	73.0
654.41461	7.6
695.42236	18.7
695.53497	1.8
696.42084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00494	0.4
59.01247	67.1
60.01591	0.7
63.35160	0.4
71.01245	0.7
71.58205	0.6
76.46091	0.4
78.95773	4.3
89.02265	0.4
96.82949	0.4
101.05978	1.2
107.79355	0.4
125.09652	0.4
152.99463	2.0
168.04265	0.4
171.10216	1.3
183.52078	0.4
197.19165	0.6
223.09634	0.6
224.06903	1.4
224.09866	0.4
225.11241	0.6
241.83339	0.4
243.19609	100.0
244.19952	6.3
255.23250	17.2
256.23532	1.3
277.21695	3.5
278.21982	1.0
279.23312	2.8
280.23877	0.5
293.21149	0.6
298.24295	0.4
306.04657	0.5
387.16016	0.5
440.60251	0.4
480.30905	15.4
481.31073	2.1
512.99939	0.4
738.51324	0.5
760.32593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10920	0.3
55.01749	0.7
55.14074	0.3
57.03304	0.6
59.01249	100.0
60.01580	0.9
71.01250	7.2
71.06198	0.9
72.99181	0.5
73.02816	3.0
79.04684	0.3
82.63551	0.3
83.01255	1.6
85.02822	4.6
87.00761	1.1
89.02331	1.3
95.01259	0.7
96.95880	3.9
99.00771	1.1
101.02319	7.3
113.02338	4.2
119.03383	0.4
125.02406	0.4
159.02921	0.6
161.04483	2.1
183.13844	1.2
191.05611	1.3
195.13788	0.8
209.04446	0.3
211.86272	0.3
213.14890	9.8
227.16530	0.5
228.00781	0.5
229.01451	0.5
248.16841	0.3
257.90640	0.3
277.16559	11.7
278.16904	0.5
319.17621	3.8
320.18152	0.4
338.04251	0.5
341.23026	0.6
449.27524	0.6
491.28830	1.0
547.13062	0.6
679.48590	0.7
711.08099	0.4
739.40021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27713	1.6
59.01253	42.9
71.01257	29.8
71.58799	3.5
72.99201	2.7
73.02818	6.2
73.82602	2.1
78.95767	7.7
83.01254	2.8
85.02823	7.2
87.00752	7.2
89.02316	24.9
97.02825	4.5
99.00754	2.4
101.02313	23.6
113.02347	10.9
119.03403	6.4
125.02364	9.5
125.09601	2.3
125.90684	1.7
143.03389	4.4
149.90027	1.7
152.99496	2.6
161.04471	6.0
171.10179	23.8
179.05486	5.1
207.10211	3.3
221.06528	2.2
225.11292	12.2
235.08171	16.9
239.06023	2.0
253.09253	7.1
277.21735	40.6
279.23331	2.2
281.24860	84.5
282.25244	5.7
305.08633	2.3
323.09897	2.1
354.76154	1.8
362.63361	1.9
397.13495	100.0
398.13800	6.7
415.09372	2.0
415.14581	27.6
679.38715	2.7
728.10736	1.9
739.41437	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
60.01575	0.2
61.98704	100.0
62.98392	0.1
65.07639	0.1
71.01254	0.9
72.01584	0.2
72.99186	0.1
73.02816	0.1
78.95795	0.2
83.01284	0.1
83.13654	0.1
85.02849	0.2
86.03172	0.1
87.00768	0.2
89.02323	0.8
91.02797	0.1
96.95934	0.1
97.02872	0.2
98.20597	0.1
101.02329	0.6
102.02660	0.1
110.40822	0.1
113.02346	0.3
114.02708	0.1
115.69429	0.1
119.03402	0.2
119.27724	0.1
125.02369	0.3
161.04439	0.1
179.05429	0.2
190.17325	0.1
198.28799	0.1
209.11842	0.2
211.13354	0.1
229.42215	0.1
235.08260	0.1
236.08560	0.1
242.20477	0.1
251.51259	0.1
253.09364	0.1
277.21729	1.0
278.22092	1.1
279.22394	0.7
279.25388	0.1
280.22839	0.3
291.19583	0.1
293.21100	0.1
293.82700	0.1
305.08755	0.1
397.13577	0.7
398.13821	1.0
399.14072	1.5
400.14258	0.6
415.14645	0.2
416.15097	0.3
417.15204	0.5
418.15381	0.3
467.90222	0.1
508.75562	0.1
514.07629	0.1
668.28882	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36787	0.1
56.96423	0.1
59.01252	1.5
60.01587	0.2
61.98700	100.0
62.98415	0.1
71.01246	1.0
72.01602	0.2
73.02818	0.2
75.49529	0.1
78.44446	0.1
78.95779	0.6
83.04893	0.2
86.03295	0.1
87.00764	0.3
89.02296	0.8
91.02750	0.1
96.95902	0.4
97.02790	0.2
101.02309	0.8
102.02669	0.2
113.02335	0.3
119.03455	0.3
125.02354	0.3
143.03552	0.1
157.73419	0.1
158.36742	0.1
158.69328	0.1
209.11768	1.6
223.13531	0.2
227.12819	0.2
235.08336	0.3
236.08554	0.2
238.53961	0.1
253.09296	0.3
277.21790	1.1
278.22110	1.5
278.24960	0.2
279.22552	0.8
280.22736	0.2
286.73251	0.1
293.21204	0.7
397.13467	0.6
398.14011	0.9
399.14050	1.4
400.14453	0.6
415.14719	0.2
416.14853	0.3
417.15402	0.4
418.15482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01257	9.8
61.98700	0.9
69.03329	4.3
69.29156	5.6
69.29585	2.5
71.01249	6.9
71.04887	1.8
73.02817	1.3
78.95779	5.4
81.03282	0.8
89.02299	3.6
95.01189	0.9
95.93568	0.8
98.20554	1.6
101.02292	4.3
113.02300	2.5
116.64327	0.7
119.03426	0.8
120.79629	0.8
123.08002	0.9
125.09596	2.2
148.95998	0.8
151.11150	2.8
152.99464	2.6
153.12740	1.4
161.04483	1.5
161.09613	4.0
161.61964	0.9
163.00291	0.8
169.12245	1.0
179.10675	8.5
197.11755	98.6
198.12076	4.7
205.08617	1.8
223.09720	3.1
241.10770	6.0
253.09259	4.6
277.21707	34.0
278.22031	3.6
279.23547	3.9
279.26184	0.8
291.19452	0.9
400.38193	0.9
425.92950	1.0
459.18689	1.9
465.63342	0.8
477.19620	3.2
588.42889	1.0
737.41089	100.0
738.41620	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01247	8.1
59.37860	0.7
61.98710	1.3
63.86020	0.8
67.01737	0.7
69.03330	6.6
71.01256	6.8
71.04872	1.5
71.58331	1.0
73.02802	2.1
78.95753	4.5
82.21822	0.6
83.01243	0.8
85.02817	2.3
89.02297	2.4
95.01251	1.2
97.02779	0.9
97.06438	1.6
101.02320	5.6
104.01669	0.6
113.02319	2.5
119.03359	0.8
123.08014	1.8
125.09601	2.9
151.11189	4.9
152.99471	2.6
153.12770	1.1
161.04460	1.2
161.09634	5.1
169.12122	0.9
171.74229	0.7
179.10683	10.4
197.11757	56.5
198.12086	2.0
223.09702	1.6
235.08049	1.0
241.10719	2.4
253.09224	3.0
259.20584	0.9
277.21707	69.0
278.22028	6.3
279.23264	5.0
293.24838	1.2
295.22775	1.6
459.18829	0.9
477.19431	2.1
737.41101	100.0
738.41504	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	737.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55168	1.2
51.97664	0.9
57.03312	4.4
59.01250	100.0
60.72128	0.9
61.98696	2.7
69.03355	2.0
71.01251	29.9
71.58028	1.2
72.99172	1.6
73.02821	7.7
77.31046	1.2
81.03365	1.4
83.01257	6.5
85.02817	17.5
85.99933	1.5
87.00758	4.4
89.02313	6.6
95.01260	3.5
96.95901	2.3
97.02826	4.5
99.00760	2.2
101.02322	16.9
111.00748	2.1
113.02326	21.7
119.03370	1.4
124.01550	3.2
125.02335	12.4
133.02809	1.0
143.03426	5.8
152.99521	1.0
159.02971	1.0
161.04442	3.5
170.91327	1.0
171.10159	2.0
175.71808	1.0
275.20099	1.3
279.23199	3.4
283.26270	2.7
293.21158	2.7
305.08862	1.1
329.30487	2.8
397.13409	2.8
415.14371	1.7
473.34686	5.9
478.81821	1.1
483.58707	1.1
491.35580	5.1
581.36359	1.5
599.37811	2.3
617.38989	26.8
618.38928	3.0
633.38239	7.1
634.39471	1.1
635.40076	61.6
636.40216	8.2
651.39618	4.7
653.41089	18.8
654.41370	1.8
677.41296	10.1
678.41595	1.8
695.42291	16.0
696.42480	1.6
737.49939	1.3
738.51648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.5
57.03325	4.4
58.00457	3.1
59.01249	94.3
60.01550	1.6
61.98687	1.8
69.03336	1.8
69.29917	18.1
71.01249	67.7
72.99154	3.6
73.02807	12.6
80.96381	1.8
83.01265	9.1
85.02811	28.0
87.00745	5.1
89.02313	24.2
91.75667	1.5
95.01263	6.8
96.95866	5.6
97.02779	3.8
99.00740	5.9
101.02319	35.6
110.53580	1.6
111.00761	4.4
113.02322	30.7
119.03391	10.6
125.02313	7.3
143.03384	3.8
159.02905	2.2
161.04451	8.2
187.75125	1.6
209.11781	5.0
268.79382	1.5
283.43475	1.7
323.42166	1.7
379.33249	1.6
471.33182	11.1
489.34436	10.0
615.66589	1.9
624.53455	2.0
633.38501	100.0
634.38855	14.4
651.39569	83.7
651.50580	3.3
652.39972	12.6
693.40576	23.4
694.40387	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	736.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06343	20.1
74.34486	8.5
78.95772	16.6
85.97468	6.9
90.99693	8.5
152.99466	18.3
170.56998	9.1
225.06662	9.6
255.72308	9.6
257.66956	9.2
277.21695	84.7
279.23315	100.0
434.29025	11.7
599.25439	9.7
643.26038	10.3
736.49158	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	18.1
59.01249	8.0
69.03322	4.8
71.01244	4.2
71.57483	2.9
79.45736	2.3
81.03324	17.4
83.04895	7.5
89.02318	4.1
91.59782	2.6
93.03344	2.9
95.04908	4.4
96.95899	19.1
98.75809	2.2
99.04406	5.0
105.07027	2.9
105.95299	2.4
107.04939	4.2
109.06482	7.1
110.64761	2.3
111.04390	22.9
113.02309	2.5
121.06435	3.1
123.04424	4.9
133.06497	3.4
135.04428	2.8
135.08049	31.6
147.08104	4.1
151.07552	3.9
153.09146	11.2
158.45859	2.4
160.01758	2.2
161.09624	3.3
163.07568	3.3
163.11238	2.5
165.09152	5.6
171.11665	3.5
173.13278	9.1
175.07542	4.2
175.11192	3.2
177.09077	2.4
179.07074	5.2
187.11215	9.8
205.12250	7.0
205.76440	2.2
215.10719	4.9
217.12296	53.7
218.12622	3.9
219.10260	2.4
223.13403	3.3
231.10199	2.8
233.11681	7.3
234.11945	2.8
249.11324	45.1
250.11906	9.5
261.11304	62.7
261.14047	3.5
262.11734	5.8
263.09317	4.3
267.12357	17.4
268.13278	5.3
277.10776	32.1
278.11166	9.5
279.11801	2.4
293.10379	5.1
295.11734	10.8
310.10477	11.2
311.11304	100.0
312.12048	13.9
337.03714	3.3
355.05402	2.1
392.69745	2.6
498.56635	2.2
573.22778	3.3
697.00208	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	735.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71036	0.4
54.24610	0.4
57.03328	0.5
59.01249	13.6
61.98706	5.3
70.60992	1.0
71.01257	6.9
71.30030	0.3
72.99183	0.7
73.02818	0.7
78.95783	0.6
80.96372	0.9
83.01259	0.8
85.02830	3.7
87.00757	1.5
89.02320	4.7
89.03883	0.6
95.01273	1.4
96.95892	2.1
97.02844	0.3
99.00777	0.4
101.02332	3.7
104.02585	0.4
109.02820	0.7
112.98718	0.6
113.02331	7.8
117.03344	1.4
119.03407	1.9
127.03897	0.9
129.02948	0.4
132.02063	22.0
133.02841	1.0
134.03630	20.2
135.04193	0.7
137.02420	0.4
143.03363	0.5
143.76411	0.3
149.04910	0.4
149.05997	2.8
152.04721	0.8
160.01566	75.0
161.01979	2.9
161.04442	0.9
167.07042	1.9
175.03918	100.0
176.04231	3.9
178.02599	1.1
179.05412	0.6
193.04985	15.2
194.05304	0.6
209.11647	0.4
225.00656	0.5
239.09674	0.3
253.04420	0.4
284.79321	0.4
292.56604	0.3
311.11359	0.3
329.12366	1.2
434.67233	0.4
439.16003	0.4
457.17004	0.4
475.18256	0.8
505.17349	2.7
517.19086	1.5
579.80914	0.4
605.52826	0.4
615.20679	0.5
631.36963	2.4
633.21710	1.2
641.22791	0.4
649.38208	2.4
651.22607	1.3
675.22906	1.0
691.39520	0.7
693.23999	11.7
694.24298	1.4
735.25012	16.8
736.25256	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	733.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21741	1.3
71.58939	1.9
73.84054	1.4
78.95740	1.5
79.63109	1.6
79.95621	1.7
80.96387	7.6
90.62326	1.6
117.95876	1.4
152.99573	1.6
277.21738	4.9
368.95093	1.7
455.35284	100.0
456.35556	12.4
639.16144	1.7
733.38617	7.0
734.39044	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	735.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67268	0.2
55.01730	0.2
56.59045	0.2
57.03318	0.3
59.01251	12.6
61.98685	0.2
64.84348	0.2
70.65166	0.5
71.01254	3.7
72.99174	0.6
73.02797	0.5
75.00723	0.2
79.78350	0.2
81.03329	0.4
83.01258	0.5
85.02819	2.7
87.00745	1.3
89.02316	1.8
89.03848	0.7
95.01272	0.7
101.02306	1.5
104.02538	0.3
106.04137	0.3
109.02837	0.8
111.65332	0.2
113.02315	3.9
117.03354	2.4
119.03358	0.8
119.04966	0.4
121.02805	0.3
125.02328	0.6
127.03881	0.8
132.02058	24.4
133.02930	1.3
134.03622	36.5
135.04022	1.1
136.01569	0.3
137.02325	0.7
137.05943	0.7
143.03421	0.5
147.04434	0.4
149.05994	4.1
152.04707	1.0
160.01561	89.1
161.01976	3.9
167.07048	1.9
169.04941	0.3
175.03911	100.0
176.04251	3.7
177.29912	0.2
178.02583	1.3
179.03403	0.3
189.31049	0.2
191.07092	0.3
192.04224	0.3
193.04982	32.2
194.05336	1.5
197.78470	0.3
207.06532	0.2
218.69217	0.2
221.08188	0.3
235.06128	0.6
241.08603	0.2
265.06805	0.3
285.07657	0.4
303.82904	0.2
311.11264	0.7
329.12399	1.1
371.13394	0.3
373.68918	0.3
421.15259	0.5
434.49213	0.3
439.16049	0.4
475.18143	0.5
487.16104	0.9
505.17117	17.8
506.17459	2.1
517.19354	0.4
547.18127	1.7
548.18762	0.3
615.20807	3.2
633.21747	0.9
634.21240	0.3
651.22797	1.6
657.22058	0.3
671.84192	0.3
675.22498	1.1
693.23895	7.3
694.24377	0.9
735.25018	17.1
736.25391	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	733.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77744	0.4
55.01754	1.0
57.03323	1.2
58.00459	2.0
59.01250	29.1
61.98698	0.9
68.25270	0.5
69.52292	2.6
69.52695	1.1
70.79254	0.5
71.01251	24.1
72.01569	0.6
72.47287	0.5
72.99169	1.9
73.02818	4.1
75.00747	0.7
78.95741	0.5
80.96384	1.1
83.01255	2.1
85.02821	6.8
87.00746	1.5
89.02315	16.0
90.26723	0.5
95.01254	1.9
96.95898	1.3
99.00765	0.8
101.02322	19.8
113.02323	11.5
119.03387	6.3
123.04389	0.5
125.02368	1.1
131.03409	0.7
143.03415	0.9
161.04506	3.0
161.05687	0.6
164.06764	0.5
183.13850	4.1
195.13820	13.5
209.11627	0.6
209.15419	1.0
213.14899	25.7
214.15245	1.7
236.86046	0.5
237.14934	1.8
255.15889	0.7
267.16058	0.8
357.19186	10.4
358.19543	0.7
375.20209	100.0
376.20486	6.8
399.20135	2.1
417.21194	1.1
454.53543	0.6
459.22653	0.8
471.21866	0.8
571.34766	6.3
572.34998	0.7
607.07074	0.6
733.30908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55786	0.4
55.01744	0.4
57.03325	0.6
58.00468	1.0
59.01248	18.0
69.03333	0.7
71.01250	20.1
71.58451	0.6
72.99165	1.6
73.02815	2.6
74.49887	0.4
75.00751	0.8
78.95768	0.6
79.46487	0.4
83.01257	4.1
85.02827	3.7
87.00750	21.0
89.02312	16.8
95.01267	1.8
96.95878	0.6
97.02822	0.7
99.00755	1.2
101.02320	12.9
111.00781	0.5
113.02325	12.3
119.03384	5.2
122.89360	0.5
125.02287	1.4
129.01784	0.8
131.03383	1.0
138.58301	0.4
141.01884	0.8
143.03400	3.6
149.04424	0.5
159.02870	0.5
161.04466	5.4
161.07542	0.4
179.05528	7.9
179.14377	0.5
183.13821	14.3
184.14215	0.8
195.13831	21.7
196.14157	0.7
209.15395	1.6
211.13326	0.6
213.14897	100.0
214.15227	4.5
223.74661	0.4
227.16475	1.3
231.50330	0.4
237.14832	2.3
238.32973	0.4
249.14844	0.7
255.15944	1.6
267.16019	0.6
275.20154	1.9
285.40994	0.4
307.39166	0.5
323.09793	12.4
324.10361	0.5
341.10855	39.7
342.11124	2.1
391.28342	0.5
397.13492	2.5
401.11896	0.8
409.29572	16.6
410.29837	1.3
415.14362	1.1
433.29489	1.2
451.30676	1.5
455.38419	0.4
470.29797	0.5
500.75122	0.4
519.24591	2.4
537.25592	8.4
538.25787	1.2
548.46631	0.4
598.71460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75212	1.3
55.01764	1.7
57.03313	1.2
59.01253	100.0
61.98693	1.6
68.24205	1.5
71.01260	44.7
71.58649	1.7
72.99165	1.6
73.02820	17.0
78.95785	3.8
79.95612	1.4
82.38212	1.5
83.01262	5.4
85.02816	12.9
87.00741	6.0
89.02322	21.8
93.03342	2.4
95.01267	2.5
96.95890	23.0
96.96802	1.7
97.02881	1.8
99.00768	2.0
101.02328	25.5
113.02330	33.7
119.03394	7.1
120.99545	2.2
124.01497	2.9
125.02361	6.1
127.88020	1.4
135.04413	2.5
143.03362	5.8
150.03073	1.9
151.00244	2.1
151.03908	2.6
161.04510	9.8
162.90317	1.8
165.05367	1.9
165.09172	1.9
179.03401	2.8
179.05597	3.2
188.47876	1.6
191.05547	4.0
225.05560	1.7
240.04324	5.2
240.07866	2.5
241.04874	2.4
249.84355	1.4
255.06580	13.2
256.06958	3.9
270.08969	14.2
271.09613	7.0
277.57925	1.4
296.06516	1.7
301.10779	13.5
302.11179	2.4
336.64139	1.5
354.36859	1.5
432.14276	2.2
441.20950	2.3
450.16064	1.6
525.27075	12.9
526.27063	2.5
543.28107	39.0
544.28656	6.5
561.29187	13.2
585.29370	5.3
603.30310	8.5
652.72125	1.6
738.65399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00589	0.2
71.01251	0.4
71.12878	0.5
72.99186	0.3
75.00755	0.7
79.95603	3.1
81.95182	1.0
82.15027	0.2
85.02826	0.6
96.95885	100.0
97.95808	2.9
97.96350	0.5
98.95464	37.5
98.96287	6.0
99.00702	0.3
99.92455	6.0
100.92504	0.2
100.93232	0.4
113.02287	0.5
114.93336	0.2
115.91955	9.3
116.89814	0.4
116.92740	24.1
117.92751	1.0
139.97263	0.2
142.94284	0.7
169.93034	0.3
170.93831	1.0
184.95389	1.0
256.93866	1.0
336.14929	0.2
459.81174	0.2
540.28564	0.4
541.29651	0.6
633.40265	1.0
634.40546	0.8
635.40533	1.5
715.31909	0.6
733.32489	14.1
734.32910	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	733.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47192	0.6
55.01759	1.6
57.03320	2.3
58.00457	0.5
59.01252	100.0
60.01600	0.9
62.68494	0.4
69.03334	1.3
69.30275	3.2
69.30692	1.7
71.01255	29.8
72.01613	0.7
72.73937	0.5
72.99191	1.8
73.02824	6.7
75.00723	0.5
78.95763	0.5
79.95610	0.7
83.01239	3.8
85.02824	16.8
85.99979	1.0
87.00768	2.7
89.02327	9.4
95.01254	3.7
96.95888	12.9
97.02844	2.1
99.00768	3.5
101.02328	13.8
108.02072	0.6
109.02861	0.7
111.00780	1.8
112.01572	1.2
113.02335	21.0
114.02695	0.8
115.03914	0.6
119.03362	3.4
124.01546	4.2
125.02334	6.6
129.01886	0.7
135.04469	0.8
142.02596	0.6
143.03409	4.0
146.03662	1.2
149.02434	0.7
150.03163	1.2
159.02907	0.6
161.04482	3.2
161.05826	0.5
163.03970	1.1
164.04753	1.9
165.05466	0.8
170.22586	0.6
177.05580	0.6
179.05675	0.8
179.07092	1.9
191.05548	1.0
192.05945	0.5
195.06604	0.6
237.75336	0.5
285.04187	0.6
287.66736	0.5
295.06134	0.9
298.08630	0.6
313.11118	0.7
343.12079	0.8
373.13016	0.6
381.22882	3.1
399.24023	2.1
441.25201	0.5
507.26086	1.3
525.27057	21.1
526.27289	3.2
543.28101	59.0
544.28430	8.1
561.29175	20.1
562.29681	2.0
585.29120	6.9
586.29883	1.1
603.30170	13.1
603.39093	0.8
604.31000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75341	0.1
57.03332	0.1
59.01254	0.1
71.01237	0.1
72.99168	0.1
75.00759	0.5
78.95773	0.2
79.95610	2.7
85.02812	0.5
94.97942	0.1
95.01260	0.1
95.97474	0.1
96.95890	100.0
97.95825	0.3
113.02361	0.3
114.93257	0.1
115.00265	0.1
116.01028	0.1
138.05664	0.1
149.70113	0.1
173.84285	0.1
278.98779	0.1
633.29431	0.1
633.40070	1.8
634.40167	0.3
671.35211	0.1
731.39050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98414	1.3
69.03313	1.2
71.28493	2.9
74.71458	1.1
75.59880	1.1
75.63751	1.2
76.31082	1.1
80.98718	1.1
91.58436	1.2
102.97066	1.3
124.32745	1.4
171.10191	3.0
173.10693	1.6
277.21820	3.6
278.22070	2.2
279.22610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96074	1.0
55.57077	0.9
57.03318	1.6
58.00455	1.4
58.29252	0.9
59.01248	100.0
60.01580	1.1
61.07064	1.0
61.98691	3.0
66.99033	0.9
67.94057	0.8
69.03320	1.5
71.01252	38.2
72.85105	1.0
72.99175	2.1
73.02818	9.1
73.63477	1.0
78.95736	1.2
83.01254	4.3
84.16165	1.0
85.02824	12.7
87.00737	3.4
89.02315	16.3
95.01259	5.0
96.95888	9.4
97.02832	1.6
99.00739	1.9
101.02320	17.8
112.98669	3.4
113.01529	1.3
113.02326	27.2
119.03396	6.5
124.01508	1.4
125.02338	3.4
135.04449	2.4
143.03358	4.1
149.00789	1.1
157.26178	1.0
161.04440	7.4
166.09869	1.1
177.01826	1.4
179.05510	3.9
258.78278	1.1
321.10092	1.1
332.21823	1.0
381.22891	1.8
495.70901	1.1
507.25592	1.4
525.26752	6.9
543.28046	39.7
544.28424	4.5
561.29077	14.1
585.28729	4.7
603.30322	10.3
604.30865	1.6
629.35168	1.5
703.50726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50115	0.2
57.03305	0.2
59.01249	0.5
60.03787	0.2
70.86481	0.5
70.86831	0.3
71.01239	0.4
75.00753	1.4
78.95769	0.5
79.95599	2.7
85.02809	1.1
96.95886	100.0
113.02328	0.9
169.39528	0.3
171.51233	0.2
217.00177	0.3
225.38405	0.2
289.41449	0.3
296.17825	0.2
446.15176	0.4
631.38544	5.2
632.39215	0.7
729.37823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96862	0.9
58.02853	8.9
59.01247	1.2
64.20849	0.7
66.03362	1.7
69.56622	2.4
69.57050	3.5
70.02850	0.9
71.01254	1.2
74.02341	23.2
81.04468	1.3
82.02850	3.2
84.00793	1.4
85.03943	0.9
86.02337	6.9
86.05970	1.6
86.56723	0.8
86.98985	1.2
87.05528	3.2
90.00052	1.9
96.04430	0.9
96.95896	1.8
97.03946	2.9
98.03679	0.9
99.05518	17.3
101.02324	1.1
101.07082	2.5
102.05487	2.7
109.03959	3.4
109.07592	1.1
111.05528	2.1
112.03913	2.0
116.01606	1.7
117.79263	0.8
123.05536	2.6
124.07579	1.0
125.03444	10.1
126.01815	0.8
127.05016	6.0
127.94371	0.7
128.03427	60.2
129.99619	0.8
135.05508	5.6
135.18718	0.7
137.07086	0.9
139.08714	0.9
141.06596	3.3
143.04523	67.6
144.04942	1.1
145.06094	4.7
145.22322	1.0
146.04483	6.7
153.06631	5.4
155.08110	1.2
159.99425	1.5
160.00642	15.4
166.09773	4.3
167.04541	6.2
167.08176	5.9
170.03250	2.0
171.04021	1.3
177.03360	5.1
179.04552	18.6
180.04897	1.0
181.06149	2.3
185.05591	3.7
187.31982	0.9
192.07681	2.0
197.05582	2.3
210.08783	16.2
213.96263	1.1
228.09880	1.2
236.06680	1.0
242.07739	2.1
254.07802	19.7
255.08087	1.3
272.08865	21.7
273.09076	1.1
288.06601	6.4
295.09991	2.1
306.07648	46.1
307.07980	2.4
348.08612	1.5
348.76874	0.8
439.15024	1.3
468.12589	2.6
472.02808	0.9
492.19608	1.0
539.73346	1.0
550.18774	7.1
551.19250	1.4
568.19659	100.0
569.20001	14.7
610.21100	2.0
618.47589	1.0
712.24860	1.3
730.24896	20.9
731.25525	3.6
746.32983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76702	1.0
56.35835	1.1
59.01249	42.9
61.47234	1.2
70.88003	2.7
71.01256	6.0
78.95761	3.2
84.43230	1.1
85.02839	1.3
89.02292	3.1
101.02332	5.1
109.08376	1.1
112.00447	1.2
112.98646	1.2
119.03412	1.2
122.88351	1.2
125.09615	1.4
127.11184	1.4
133.14893	1.2
151.11220	2.9
169.12239	34.7
171.10170	100.0
172.10474	5.1
196.05635	1.3
213.11212	6.0
216.52159	1.1
230.14642	1.6
231.12344	3.8
253.09207	5.0
277.21701	39.4
278.22043	4.8
407.19135	2.7
449.20319	2.1
467.21387	2.9
709.42053	6.7
727.42706	98.3
728.43073	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	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06383	0.2
53.57355	0.2
59.01249	15.9
71.01254	1.7
71.08078	0.5
73.02824	0.3
73.14000	0.3
74.29036	0.3
78.95776	0.3
83.01258	0.4
85.02822	0.5
87.00770	0.4
89.02326	1.3
98.20389	0.2
99.00823	0.3
101.02316	1.2
104.62172	0.2
113.02325	0.6
119.03452	0.3
125.09599	0.7
127.11157	1.3
153.09088	0.4
161.04486	0.8
171.10175	100.0
172.10515	3.7
179.05556	0.5
235.08145	1.8
241.17303	0.3
253.09264	6.6
277.21710	48.7
278.22031	4.8
368.47379	0.3
407.19196	2.3
408.19821	0.3
513.30408	0.3
530.39337	0.3
647.19159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.0
62.65737	0.2
71.01248	2.1
71.08050	0.5
73.02814	0.4
77.05910	0.2
78.95767	0.3
85.02831	0.6
87.00757	0.6
89.02330	1.3
90.97723	0.2
101.02321	1.9
102.06647	0.2
113.02337	1.0
118.16467	0.2
119.03375	0.3
125.09621	0.4
127.11172	1.2
146.03835	0.2
153.09109	0.4
161.04462	0.7
171.10179	82.0
172.10530	3.4
207.56392	0.3
233.22736	0.4
235.08159	3.6
253.09241	7.2
255.23325	0.4
256.47882	0.2
259.20633	0.4
275.20084	0.4
277.21710	100.0
278.22061	8.1
279.23322	0.3
280.23627	0.3
348.60089	0.3
407.19043	1.0
458.89722	0.3
468.50473	0.3
493.91516	0.3
513.30676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02681	2.5
51.25670	2.1
51.25921	2.6
59.01254	27.4
61.98677	2.6
71.01244	7.6
78.95748	3.0
85.02814	4.1
87.00744	2.7
89.02321	6.4
95.95899	2.3
96.95909	5.1
101.02325	10.1
113.02333	6.4
125.02316	4.6
137.02281	2.4
161.04498	2.9
195.13881	5.9
198.30414	2.6
200.79948	2.8
223.13176	3.7
291.19656	4.7
293.21198	100.0
294.21625	14.0
369.19012	2.6
397.13425	40.6
415.14581	40.6
416.14655	5.4
440.39227	3.2
486.13589	3.2
497.32321	2.6
612.26678	3.0
677.10724	2.7
691.35474	12.0
727.33173	44.2
728.33490	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82693	1.0
56.05143	1.0
59.01251	44.2
60.16932	1.1
70.31303	1.0
71.01232	5.3
71.57956	1.8
72.99184	0.9
73.02820	1.2
74.35415	0.9
76.42265	1.0
78.95753	1.7
83.67551	1.0
85.02776	1.1
87.00751	2.2
89.02298	2.0
101.02312	4.2
113.02312	2.9
119.38120	1.1
130.38754	1.2
135.04459	1.1
151.11179	2.4
153.09183	1.0
169.12260	29.2
170.12541	1.8
171.10178	60.2
172.10555	2.1
213.11261	2.5
235.08229	2.6
253.09311	5.2
277.21701	74.1
278.22040	8.0
397.13107	2.1
467.21628	1.5
696.32056	1.1
709.41742	4.7
727.42737	100.0
728.43036	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	727.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40615	0.9
59.01246	9.5
63.95318	1.1
65.76630	0.7
67.01730	0.9
69.03323	2.0
71.01253	9.8
71.34673	1.6
72.99178	1.0
78.95752	1.1
79.26789	0.9
85.02805	7.1
89.02325	3.5
91.01743	1.7
91.05408	8.0
93.03329	3.1
95.01260	2.2
96.95880	10.4
97.02814	1.9
101.02331	4.9
106.04121	4.2
107.04899	32.5
108.02048	3.0
113.02313	17.2
115.05415	5.0
117.03340	16.4
119.03426	4.4
119.04906	2.6
121.02827	5.6
123.04419	2.1
125.02353	4.9
129.01785	0.9
130.04028	0.9
131.04919	9.9
133.02867	5.7
133.06468	1.3
135.04402	15.9
138.03024	1.2
139.75761	1.0
140.70810	0.9
143.03436	2.2
143.04918	3.5
145.06470	10.7
147.04420	2.6
149.05963	15.8
150.06270	1.1
151.03903	100.0
152.04262	4.7
157.06453	1.3
159.04413	91.1
160.04785	4.4
161.04463	7.3
161.05862	2.2
164.98003	0.9
165.05472	2.7
171.04491	1.3
173.05980	7.8
175.03900	10.6
176.04181	1.0
177.05446	10.2
179.05487	1.3
181.23048	0.9
185.05934	1.1
187.03860	2.0
189.05478	29.9
190.05824	1.6
191.05544	1.1
193.04965	2.9
201.05507	3.7
203.07098	1.5
205.05046	4.3
207.06549	2.8
217.05013	22.4
218.05290	1.6
219.06586	2.6
223.06029	5.0
237.07687	1.2
253.07109	1.4
258.72031	1.0
259.06067	1.3
271.66956	1.0
279.08997	1.1
295.08163	4.1
297.09818	1.8
411.11115	1.3
442.90341	1.1
491.07364	2.1
631.72546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46732	5.8
59.01251	100.0
60.80905	5.3
61.98692	9.8
65.56245	5.2
71.01261	27.0
71.58804	5.1
74.68300	5.1
80.49725	5.2
85.02811	14.4
87.00709	7.4
89.02312	17.1
96.95871	22.8
101.02303	15.8
113.02317	9.7
119.03410	7.4
125.02316	6.5
128.80440	5.8
140.44052	5.8
145.07259	5.5
151.07591	6.3
178.89551	6.0
179.05586	7.2
235.17010	18.7
275.20193	32.6
293.21194	95.1
304.92621	5.9
314.96494	6.0
397.13467	93.0
415.14426	47.3
479.29980	10.3
691.34937	7.2
693.40302	6.5
727.32733	68.2
728.33221	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	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88824	1.1
55.01767	1.3
57.03319	5.3
59.01251	10.1
60.55836	0.9
69.03325	1.0
71.01257	7.5
71.57647	1.1
72.99177	1.0
73.02816	1.5
75.00739	1.8
78.95765	9.8
80.02490	1.0
83.04904	1.0
85.02837	2.3
87.00736	1.4
89.02316	2.9
95.04917	2.2
97.06461	2.2
101.02322	6.6
109.06477	1.1
113.02318	3.0
120.50671	0.9
123.08015	1.8
125.09644	6.9
139.11201	4.7
141.12766	1.8
146.02267	1.0
152.99498	14.2
161.04459	1.8
161.08447	1.1
167.10655	8.0
171.10178	13.4
185.11754	72.4
186.12105	3.6
187.32779	1.0
199.09793	1.1
199.13235	1.2
207.10246	2.1
209.11794	12.6
210.12132	3.6
211.09712	1.4
225.11220	5.1
227.12807	3.0
229.10883	1.4
235.08250	2.3
253.09248	8.8
253.21742	2.7
269.33264	1.1
277.21719	96.2
278.22092	14.1
279.23193	8.0
295.22714	2.4
399.14191	3.2
447.18872	1.6
453.15140	3.3
465.19925	2.7
471.16418	6.7
472.16391	1.1
635.35541	3.6
689.37067	1.9
707.37714	7.2
708.38135	1.8
725.41138	100.0
726.41534	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	725.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
60.88678	0.6
63.02255	2.7
65.00193	1.4
69.48596	4.6
71.01245	2.3
83.01250	2.3
89.02303	0.9
96.95892	3.1
107.01263	5.1
109.02962	0.6
113.02310	0.6
113.87436	0.7
124.01500	0.7
133.02809	1.0
135.61440	0.6
148.01541	0.8
151.00270	15.3
159.04465	0.6
163.00246	1.1
169.01352	4.7
183.04384	1.7
199.03920	2.7
203.03357	0.9
211.03926	1.1
215.03481	0.9
227.03410	5.7
243.02905	9.5
244.03735	1.3
255.02945	10.4
256.03531	0.9
259.05905	0.9
271.02484	17.8
271.05453	1.0
272.03183	3.9
284.03235	5.0
285.03775	0.8
287.05554	3.5
293.71246	0.6
299.01953	39.1
300.02667	25.1
301.03030	1.5
313.03464	2.0
314.04306	30.9
315.05075	100.0
316.05341	7.0
331.27124	0.6
357.06149	1.4
401.05719	0.8
473.18057	0.6
477.10400	12.8
477.17752	0.9
477.20074	0.9
478.10706	1.5
485.17670	0.9
491.19153	2.2
503.19336	2.2
519.11414	40.9
520.11749	5.5
533.20135	1.0
545.20496	0.8
689.64539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03316	4.4
58.00455	0.7
59.01250	8.8
66.91327	0.6
69.03318	1.6
69.88142	3.5
71.01256	6.9
71.04967	0.5
73.02818	1.2
75.00745	1.8
78.95770	8.6
80.96383	0.5
83.01295	0.6
83.04874	1.2
85.02827	1.5
87.00744	1.0
89.02312	4.1
95.04903	0.8
96.96812	1.2
97.06439	1.1
101.02308	4.2
109.06506	1.0
113.02331	2.0
123.08009	1.1
125.09602	3.8
127.11149	1.0
139.11186	2.0
141.12753	2.0
152.99480	7.5
155.10684	0.8
161.04514	1.7
167.10632	3.9
171.00545	0.8
171.10196	9.8
172.10570	0.6
185.11763	100.0
186.12161	5.4
199.09605	0.7
201.11253	1.9
207.10143	0.9
209.11795	5.5
210.12148	0.8
211.09720	1.0
225.11308	1.5
227.12885	1.0
229.10779	2.4
253.09267	4.9
253.21771	1.0
277.21710	30.1
278.22086	4.1
279.23148	2.3
319.85315	0.6
399.14301	1.9
447.18738	0.8
453.15399	1.6
465.19833	2.2
471.16479	2.5
635.35242	0.6
707.37732	2.9
725.41119	62.0
726.41541	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.2
59.01250	4.1
59.47669	0.1
66.49266	0.1
67.36322	0.1
69.60235	0.9
71.01250	2.1
72.99159	0.2
73.02823	0.4
80.02541	0.9
81.03329	1.0
83.01244	0.2
83.04898	4.3
84.02042	0.5
85.02829	0.7
87.00753	0.3
89.02309	1.8
95.01282	0.2
95.04883	0.7
101.02312	2.3
109.06483	0.4
113.02345	1.1
113.86584	0.1
119.03380	0.6
121.68651	0.2
125.05965	0.5
125.58572	0.1
127.07516	0.2
135.08047	0.5
143.03395	0.3
147.11740	0.2
158.05794	0.1
161.04449	0.6
161.59868	0.1
163.11205	3.2
164.11549	0.2
165.12773	2.0
179.05559	0.6
180.67485	0.2
181.12303	0.5
191.10760	0.9
199.13278	0.2
207.10176	0.2
209.11763	100.0
210.12091	5.4
225.11249	0.6
226.11626	0.3
227.12834	10.7
228.13156	0.4
235.08174	1.2
238.10773	0.1
253.09254	7.8
254.09740	0.3
259.20493	0.2
275.19986	0.2
277.21707	49.3
278.22052	4.7
279.22800	0.3
291.31192	0.1
354.03949	0.2
445.20786	0.8
723.43048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
58.56896	0.2
59.01251	4.0
59.89593	0.2
61.02366	0.2
69.29645	0.6
71.01251	3.1
72.99165	0.2
73.02824	0.9
78.95770	0.4
80.02529	1.3
81.03336	0.9
83.01270	0.7
83.04897	4.2
84.02031	0.5
85.02828	0.8
87.00736	0.4
89.02315	2.2
93.03340	0.3
95.01280	0.3
95.04916	0.6
97.02821	0.4
99.00736	0.3
100.98713	0.2
101.02313	2.3
109.06471	0.3
113.02322	1.7
119.03378	0.6
125.06005	0.5
135.08060	0.5
143.03386	0.4
145.04971	0.5
147.11705	0.2
147.78247	0.2
152.99489	0.3
161.04471	1.2
163.09946	0.4
163.11191	3.9
165.12767	1.9
176.47852	0.2
179.05453	0.3
181.12297	0.6
191.10684	0.7
207.10277	0.4
209.11763	100.0
210.12102	6.0
220.04782	0.2
227.12831	10.3
228.13139	0.4
233.22696	0.3
235.08174	3.1
253.09245	9.1
254.09497	0.3
275.20053	0.3
277.21707	75.2
278.22046	6.7
279.23239	0.4
285.03952	0.4
445.20987	0.5
447.19382	0.2
488.13376	0.2
561.46814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03330	0.2
58.00459	0.3
59.01250	5.9
71.01253	4.0
71.22414	0.3
72.99178	0.2
73.02823	1.0
78.95776	0.4
80.02547	1.2
81.03329	0.8
83.01255	0.8
83.04893	4.0
84.02061	0.5
85.02808	1.1
87.00742	1.2
87.17380	0.2
89.02314	2.4
95.01263	0.3
95.04889	0.4
97.02827	0.3
97.06462	0.3
99.00758	0.5
101.02317	4.0
101.02985	0.2
103.98040	0.1
110.19069	0.2
113.02327	1.7
114.89173	0.2
115.03797	0.2
119.03396	0.9
125.05981	0.4
125.09622	0.3
131.03403	0.2
133.04895	0.3
135.08099	0.4
136.16267	0.1
143.03407	0.4
145.04939	0.6
152.99489	0.5
161.04456	1.7
163.11194	2.9
164.11586	0.3
165.12746	1.8
181.12260	0.6
191.10718	1.1
199.12933	0.2
207.10318	0.2
209.11763	86.1
210.12106	4.7
225.11272	0.4
227.12854	6.9
227.15126	0.4
228.13228	0.5
233.22632	0.2
235.08177	4.1
240.19432	0.2
241.67616	0.2
253.09262	7.7
254.09615	0.2
259.20639	0.4
275.20117	0.5
277.21704	100.0
278.22046	8.7
279.23129	0.4
346.11496	0.2
408.66174	0.2
445.20581	0.3
545.46356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01565	0.2
54.36303	0.1
55.01759	0.2
57.03322	0.2
58.00475	0.2
59.01249	4.7
69.63090	1.2
69.70212	0.1
71.01256	3.8
72.99160	0.2
73.02819	0.8
80.02532	0.8
81.03339	1.0
83.01258	0.5
83.04894	4.2
84.02035	0.5
85.02837	1.0
85.03272	0.2
87.00751	0.9
89.02314	2.6
95.01273	0.3
95.04893	0.4
97.02836	0.3
99.00771	0.2
101.02321	3.7
103.03914	0.3
106.54234	0.1
109.06497	0.2
113.02325	1.7
119.03383	0.6
122.33246	0.2
123.84968	0.2
125.05927	0.4
129.01886	0.2
131.03401	0.2
135.08119	0.4
143.03426	0.3
145.05000	1.0
152.99631	0.2
161.04483	1.3
163.11191	2.7
164.11533	0.2
165.12769	1.7
171.10094	0.2
179.05412	0.2
181.12245	0.7
191.10709	0.7
205.19380	0.2
206.23431	0.2
207.10150	0.3
209.11763	86.9
210.12093	5.7
224.96616	0.2
227.12834	9.6
228.13165	0.6
233.22755	0.4
235.08176	5.6
236.08537	0.3
253.09248	9.8
254.09567	0.5
259.20578	0.4
275.20105	0.3
277.21704	100.0
278.22043	9.5
457.32245	0.2
501.38095	0.2
723.43018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.9
65.31554	0.9
70.45900	3.0
78.95777	28.7
80.02560	1.6
81.03307	1.4
83.04901	6.0
84.93632	0.8
94.00185	0.9
96.61693	0.9
96.96811	3.6
117.49001	0.9
124.89790	0.9
131.53799	1.0
152.99493	41.4
163.11217	7.3
165.12729	3.7
171.00595	4.7
191.10652	1.9
207.10147	1.2
209.11771	100.0
210.12161	5.4
227.03238	3.6
227.12856	10.6
228.13243	1.2
253.09183	1.2
253.21706	18.6
277.21774	8.4
277.53827	0.9
278.22116	1.6
279.23129	1.7
363.12268	1.8
437.15280	1.9
455.16870	8.1
487.19485	61.9
488.19705	4.0
691.37878	4.9
692.38812	1.3
723.40851	46.4
724.41394	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	723.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	0.3
57.03300	0.3
59.01248	10.0
68.57920	0.3
68.76958	0.2
70.56300	0.3
71.01247	2.8
71.58836	0.4
72.99176	0.3
73.02805	0.3
76.25777	0.3
78.95760	0.3
80.02537	1.0
81.03316	1.2
83.01244	0.6
83.04887	5.1
84.02027	0.5
85.02821	1.1
87.00710	0.4
89.02296	1.8
95.04889	0.5
101.02318	2.3
103.75318	0.3
109.06450	0.4
113.02306	1.2
113.53190	0.3
119.03384	0.7
125.05947	0.6
135.08034	0.8
143.03441	0.3
145.04903	0.3
157.79813	0.3
161.04460	0.8
163.11201	3.7
164.11566	0.3
165.12735	1.9
179.05534	0.3
181.12241	0.6
191.10710	0.8
209.11760	100.0
210.12122	6.2
211.13329	1.2
225.11270	1.1
226.11646	0.7
227.12825	9.1
228.13028	0.3
235.08171	1.2
253.09256	7.6
254.09735	0.3
259.20578	0.4
275.20050	0.4
277.21701	47.8
278.22061	5.0
279.22357	0.4
293.21524	0.5
445.20654	0.9
671.82672	0.3
723.42010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00945	0.5
59.01247	9.7
61.98689	0.2
66.08947	0.2
71.00864	0.2
71.01244	3.4
71.57616	0.2
73.02811	0.6
78.95773	0.4
80.02545	0.9
81.03325	1.4
83.01259	0.4
83.04890	4.5
84.02040	0.7
85.02823	0.8
87.00745	0.9
89.02319	2.2
89.37102	0.2
95.01271	0.4
95.04909	0.5
97.02784	0.2
97.06451	0.2
99.00773	0.2
99.04359	0.2
101.02311	3.3
109.06458	0.4
113.02334	1.5
119.03371	0.5
125.02281	0.3
125.05924	0.4
135.08064	0.6
136.64290	0.2
145.04936	0.5
161.04453	1.1
163.11211	3.2
165.12758	2.1
179.05513	0.4
181.12234	0.3
185.11813	0.3
190.66939	0.2
191.10643	1.2
209.11758	100.0
210.12088	5.9
225.11278	0.3
227.12851	10.8
228.13110	0.8
235.08183	3.4
239.41666	0.2
253.09245	9.1
254.09721	0.4
275.20178	0.4
277.21695	82.6
278.22040	7.6
356.51160	0.2
445.20575	0.6
519.57080	0.2
529.44763	0.2
723.41083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
56.81897	0.3
57.03313	0.8
58.52228	0.4
59.01250	28.1
69.03338	1.0
70.28996	1.6
71.01250	7.5
72.99159	0.6
73.02818	1.8
73.25142	0.4
73.98709	0.3
76.17638	0.4
80.02541	0.6
81.03316	1.1
82.51782	0.4
83.01273	1.1
83.04891	2.1
85.02817	2.2
87.00735	1.9
89.02314	4.6
93.03327	0.5
95.01252	1.3
95.04922	2.9
97.02835	4.8
99.00769	0.8
99.04387	0.9
101.02319	7.5
106.04099	0.6
107.04904	0.4
109.06474	14.3
110.03619	2.0
110.06832	0.4
111.04382	1.3
113.02319	3.2
119.03382	1.4
121.06499	0.9
122.76349	0.4
125.02364	0.4
125.09583	0.6
135.08035	2.0
136.05203	0.8
142.02603	0.8
143.03391	0.8
145.04936	1.0
145.10136	0.5
147.08015	0.5
151.11215	0.5
161.04462	2.1
161.09630	1.7
163.11203	12.4
164.11536	0.9
165.09134	0.7
169.12271	0.5
179.05515	1.8
179.10690	1.7
181.12254	2.4
189.09134	4.9
197.11798	0.9
207.10201	53.1
208.10553	1.9
209.11743	2.2
225.11270	78.7
226.11607	3.1
235.08180	8.1
250.46191	0.5
253.09268	11.6
259.20578	0.6
275.20200	1.3
277.21710	100.0
278.22049	7.7
299.14838	0.8
315.87158	0.4
369.99081	0.5
402.95227	0.4
441.34073	0.8
443.19083	6.6
444.19382	0.6
461.20270	15.5
462.20755	1.0
485.32724	0.5
618.83240	0.5
703.40961	0.6
721.41687	18.0
722.41968	3.7
739.35596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67983	0.2
55.74989	0.2
59.01252	0.2
59.28191	0.2
59.57697	0.2
60.99174	15.0
65.16198	0.2
71.01263	0.2
75.00751	1.0
85.02827	1.2
88.98673	100.0
89.99026	0.9
98.20638	0.4
103.91890	0.3
113.02319	0.5
122.89316	0.4
148.90874	0.5
176.90370	1.0
196.43941	0.2
197.11449	0.2
202.83163	0.2
230.43192	0.3
271.38992	0.2
329.23212	0.2
409.31277	0.2
484.30231	0.2
633.39972	4.3
634.40289	0.9
706.99933	0.2
723.29742	3.0
724.30499	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	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
56.11045	0.9
57.03315	2.7
59.01245	15.2
67.43891	0.9
69.03310	1.0
71.01251	9.5
71.04893	3.5
71.13766	1.9
71.14175	1.7
72.99188	2.3
73.02831	1.9
79.03680	0.9
80.02559	1.4
81.03326	1.3
83.04890	3.9
84.02025	1.4
85.02787	2.1
87.00742	2.5
89.02290	5.7
95.01266	1.6
95.04900	1.5
96.95884	10.2
97.02833	3.1
97.06458	4.0
97.81744	0.8
99.00755	19.2
101.02328	5.5
102.89582	0.9
106.04074	0.9
111.04379	0.9
112.98698	2.3
113.02323	4.4
119.03419	1.0
121.02874	2.6
125.09598	8.8
128.14934	1.1
135.04430	2.6
135.08051	1.1
137.02368	0.9
158.84210	1.1
161.02354	1.8
161.04442	1.3
163.11197	12.4
165.12769	1.7
171.10153	2.3
175.03984	1.0
177.01709	1.2
179.05630	1.0
179.10670	1.3
181.10762	1.6
181.12263	21.0
183.89148	0.9
199.13368	9.5
203.03334	1.9
207.10210	23.5
209.11775	44.5
218.05701	1.8
219.10196	1.7
221.93277	1.0
225.11270	35.4
226.11595	1.3
227.12857	3.0
233.08131	2.6
243.12366	24.7
249.11856	1.1
253.09351	2.5
261.11273	2.7
324.76590	0.9
341.83154	1.0
457.78183	1.0
461.20386	1.8
479.21231	8.0
515.28381	2.3
671.32404	1.8
689.33875	100.0
690.34393	13.8
721.36652	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83310	0.4
57.03318	0.7
58.00472	0.4
59.01250	41.3
69.03323	0.6
70.96100	0.6
70.96426	0.8
71.01255	6.9
71.04890	0.6
72.99180	0.8
73.02814	1.7
78.95811	0.4
80.02550	0.6
81.03334	1.4
83.01244	0.9
83.04874	1.9
84.72359	0.4
85.02826	2.3
87.00751	1.8
89.02313	5.3
95.01254	1.4
95.04917	4.6
97.02835	3.3
99.04414	1.0
101.02321	6.9
106.04122	0.7
109.02802	0.9
109.06473	6.5
110.03625	1.4
111.04416	1.8
113.02332	3.7
113.05940	0.5
114.71839	0.5
119.03372	1.6
119.08544	0.4
121.06467	0.7
123.04442	0.5
125.09642	0.4
135.08089	1.0
143.03407	0.5
145.04977	1.3
147.08023	0.5
149.09630	0.5
151.07565	0.5
151.11180	0.6
153.12790	0.4
157.05101	0.5
161.04459	2.5
161.09668	1.5
163.07516	0.7
163.11209	9.4
164.11519	0.5
169.12273	1.0
179.05519	1.6
179.10695	1.7
181.12234	2.4
189.09172	5.0
197.11818	1.4
198.96936	0.5
207.10205	26.3
208.10529	1.3
209.11743	1.9
221.99805	0.4
225.11276	100.0
226.11606	4.1
235.08173	11.1
236.08632	0.8
253.09267	11.7
275.20099	0.6
277.21716	75.1
278.22131	4.8
289.58661	0.5
293.21466	0.6
299.15088	0.6
309.09323	0.4
443.19229	7.9
444.19373	0.6
461.20276	14.2
462.20801	1.3
721.41663	8.4
722.41846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06477	0.3
55.01748	1.4
59.01250	39.1
65.11774	0.4
69.03327	40.4
69.26290	4.5
70.03661	0.7
71.01260	2.9
72.99177	1.5
73.02824	1.5
77.61161	0.4
78.95770	1.3
83.01251	0.9
85.02808	0.8
87.00760	0.6
95.01247	1.3
96.95886	8.6
97.02824	9.6
99.00758	11.1
99.04382	0.8
101.02311	1.3
103.62640	0.4
111.01896	1.8
113.02309	1.0
122.62704	0.4
123.00778	0.6
135.04332	0.5
141.01869	2.4
151.00377	0.5
151.03957	0.6
165.12688	0.6
171.99495	0.4
185.00835	17.5
186.01224	0.6
203.01889	1.4
207.13794	1.9
209.11729	3.7
225.14917	4.7
227.12836	22.6
228.13185	1.2
251.12874	0.7
269.13943	7.8
287.14993	100.0
288.15390	6.5
307.11993	0.4
329.15942	1.9
379.29019	0.4
397.09213	1.5
449.20306	1.7
473.16110	2.0
491.21341	25.2
492.21573	2.9
559.14514	1.3
635.22150	1.8
677.22827	2.9
721.21509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84438	2.0
57.03321	1.8
58.00454	2.3
59.01246	40.3
61.98711	2.6
62.75211	1.9
69.03292	2.7
69.18628	1.6
70.84332	2.5
70.84653	2.8
71.01252	32.2
72.99180	3.0
73.02806	4.8
81.03292	1.7
83.01259	3.1
85.02818	7.1
87.00757	10.5
89.02321	31.7
89.80285	1.7
95.01244	2.0
96.95867	3.6
97.02831	5.9
98.06117	1.6
101.02326	22.1
113.02312	11.3
119.03383	9.2
121.02778	1.9
125.02332	10.1
135.26152	1.7
143.03368	4.2
147.13881	1.6
151.99707	1.7
155.06287	2.1
161.04404	7.6
179.05522	6.6
183.82056	1.8
188.60164	1.8
195.35278	1.6
209.11719	3.7
217.00381	2.5
220.78590	1.6
226.22739	1.8
235.08167	15.4
253.09120	3.0
263.20154	72.1
264.20480	3.4
287.07709	2.8
305.08688	3.8
323.09845	3.0
397.13501	100.0
398.14011	5.1
415.14612	32.8
499.53464	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	719.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87715	1.2
57.03325	1.8
59.01253	9.4
61.98684	2.0
69.03323	6.6
69.50981	9.9
71.01237	5.8
71.04902	1.6
73.02774	1.8
78.95780	1.9
81.03327	1.5
82.95905	1.2
83.04894	5.1
85.02802	3.0
85.73099	1.2
87.00761	1.7
89.02332	3.7
90.15029	1.6
96.95888	14.1
97.02841	1.8
98.97034	1.5
99.00738	1.7
101.02299	4.2
109.06503	1.9
112.98673	1.9
113.02345	2.8
125.09603	2.4
142.36185	1.2
151.11240	3.1
153.12695	1.5
161.09572	3.3
163.11226	4.8
165.12787	2.5
179.10732	10.2
184.42102	1.5
191.05453	2.2
197.11755	89.1
198.12036	3.7
209.11754	61.5
209.13768	3.2
210.11983	3.4
227.12817	2.5
231.22121	1.3
241.10803	4.2
250.36778	1.6
253.09315	4.7
477.19281	2.1
687.32251	100.0
688.32751	14.0
719.34912	22.3
720.35773	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	721.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22609	0.2
59.01249	1.9
69.03317	1.1
69.41574	1.4
71.01247	0.8
73.02818	0.3
75.05889	0.1
79.95609	2.7
85.02811	0.3
89.02312	0.2
95.01277	0.2
96.95888	100.0
97.02809	0.2
97.95825	0.2
98.95467	0.4
99.00764	0.3
101.02299	0.3
113.02325	0.6
133.02829	1.0
135.04401	0.5
137.02289	0.2
151.00214	0.3
161.02354	2.3
185.00836	0.6
225.15022	0.2
227.12805	0.5
269.14093	0.2
287.14981	2.5
397.09305	0.6
461.16702	0.3
491.21338	0.6
499.11661	0.2
499.21429	0.2
524.71472	0.2
535.17578	0.2
540.53638	0.2
559.14526	0.7
623.19763	1.3
661.14740	0.6
721.20923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.6
69.66567	47.3
71.01239	8.6
83.94077	6.8
89.02290	14.3
98.19829	13.8
166.34093	7.5
169.09679	7.0
341.10724	29.2
377.08514	100.0
651.39636	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	719.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76585	0.5
57.03318	1.2
59.01239	6.8
71.01248	8.1
71.58546	0.7
72.99189	0.7
73.02822	1.0
78.95780	0.6
79.95621	0.9
83.64989	0.5
84.57352	0.5
85.02821	9.3
85.44320	0.6
87.00765	1.2
89.02311	2.7
93.56907	0.5
95.01260	2.7
96.95887	21.7
99.00817	0.8
101.02321	1.7
107.04934	0.6
111.85450	0.6
112.98686	4.3
113.02324	15.7
117.03286	0.6
132.02043	2.5
133.02846	41.7
134.03505	0.9
135.04413	9.6
149.00868	0.9
151.03993	1.3
161.02347	100.0
162.02667	3.3
173.05974	1.4
173.09708	0.6
175.03911	1.5
179.03418	7.0
180.03809	0.9
187.03859	0.8
187.07565	6.3
193.04951	0.8
201.03839	0.5
201.05553	1.5
202.06277	8.8
205.08774	0.6
213.09184	0.7
223.06226	0.7
231.10204	7.0
232.10420	0.6
249.11330	2.3
252.01221	0.5
253.06985	0.6
255.10815	0.6
293.10236	0.6
337.03857	1.7
348.05713	3.2
355.04794	2.0
393.15768	0.8
411.16788	0.7
513.27411	0.8
529.26208	0.6
557.22314	13.5
557.30664	0.6
558.22620	0.9
701.23895	1.4
719.25488	47.0
720.25958	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	717.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58018	1.1
55.01774	1.0
56.99437	2.2
58.00454	3.5
59.01250	49.4
60.09396	1.3
63.06316	1.2
71.01250	20.1
72.99184	2.4
73.02821	8.0
75.00740	6.4
83.00959	13.2
85.02806	3.0
87.00761	7.1
89.02303	5.9
96.95267	1.9
96.95888	27.7
99.00758	5.2
101.02332	10.5
111.00488	1.2
112.01545	3.2
112.98673	2.1
113.02324	7.8
118.02606	1.2
123.00539	2.4
125.02096	2.2
132.88226	1.1
135.04391	2.4
139.00009	1.4
139.07327	3.0
140.00766	2.8
141.01593	100.0
149.00809	3.8
151.00047	2.6
153.01604	7.8
155.03163	11.4
161.04433	2.6
166.99503	5.6
167.03165	1.5
169.01050	2.4
183.01146	1.1
183.02682	16.7
183.06395	2.2
185.00673	1.7
205.36079	1.2
213.03618	1.1
223.09462	3.8
227.01483	2.5
283.11649	11.0
287.04153	1.2
301.12775	7.8
312.71835	1.2
325.12888	1.5
327.10580	11.8
328.10507	1.4
343.13742	46.4
344.13953	2.8
345.11627	13.3
369.11633	3.8
388.12787	1.0
409.12784	2.8
522.38214	1.2
576.68878	1.4
723.39813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26125	0.1
52.97768	0.1
54.52827	0.1
56.21939	0.1
59.01243	1.0
59.67459	0.1
60.01580	0.2
61.98701	100.0
62.98390	0.1
71.01257	0.9
71.59866	0.1
72.01572	0.1
73.01672	0.2
78.95805	0.2
85.02859	0.2
87.00780	0.2
89.02300	0.6
90.02667	0.2
91.02770	0.1
101.02321	0.6
113.02343	0.2
119.03354	0.1
125.02358	0.2
141.77106	0.1
161.04581	0.1
235.08269	0.2
236.08623	0.1
237.08647	0.2
255.23282	1.0
256.23621	1.1
257.23941	0.5
258.24301	0.1
277.21793	0.3
356.88727	0.1
383.81183	0.1
397.13818	0.4
398.13779	0.9
399.14014	1.2
400.14301	0.8
417.15332	0.4
418.15414	0.2
487.45294	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24004	0.2
55.82099	0.3
56.08924	0.2
59.01245	1.5
60.01585	0.2
61.98700	100.0
71.01260	1.0
71.58128	0.3
78.95786	0.4
84.50364	0.2
85.02811	0.3
87.00793	0.3
87.08900	0.2
89.02306	1.0
96.66176	0.2
97.04465	0.2
101.02308	1.1
113.02313	0.3
119.03377	0.3
120.20782	0.2
125.02358	0.3
138.90981	0.2
152.99559	0.3
179.05551	0.4
198.80733	0.2
209.11795	0.8
235.08269	0.4
255.23271	1.5
256.23599	1.5
257.23853	0.5
258.24078	0.3
277.21811	0.8
397.13501	0.8
398.13965	1.0
399.13953	1.7
400.14450	1.0
417.15143	0.6
418.15668	0.4
716.41632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.01733	0.6
57.03328	6.1
59.01258	3.0
67.01775	1.4
68.99689	0.9
69.03329	1.0
71.01254	7.6
71.01604	0.6
71.58181	0.5
72.99178	5.5
73.02843	1.1
75.00747	34.7
80.91557	4.9
82.90274	0.6
83.01272	1.5
84.02024	0.5
85.02827	37.2
87.00761	3.5
94.86213	0.5
95.01275	3.2
99.00764	3.5
99.92470	1.0
101.02336	0.6
110.14515	0.5
111.00792	0.7
111.34715	0.5
112.01581	1.4
113.02339	21.1
115.00301	1.3
116.00356	0.5
116.01031	3.3
154.99521	0.6
157.01364	2.4
175.02376	1.6
219.09673	0.5
263.49152	0.6
291.54016	0.6
346.39337	0.6
391.70587	0.6
457.36810	1.0
470.40689	0.5
633.40088	100.0
634.40295	18.2
655.37860	3.5
699.37396	1.5
715.40338	34.3
716.41650	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	716.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78252	1.4
58.00436	1.9
59.01248	41.5
60.04736	1.5
64.91595	1.3
65.01217	1.3
66.49206	1.7
69.03313	1.3
69.57037	10.0
71.01245	25.7
72.99175	3.2
83.01250	4.0
85.02824	6.2
87.00777	2.2
89.02312	28.3
95.01234	1.3
96.95879	8.4
98.19788	3.1
101.02316	18.8
106.03994	2.0
106.06512	4.6
113.02316	11.1
116.92744	1.8
119.03370	9.7
122.06004	5.0
132.04414	1.4
133.94211	1.3
134.06010	39.8
152.07039	11.3
190.05000	7.9
192.06587	2.6
213.10313	4.1
214.28595	1.5
225.06540	2.2
237.06628	3.5
237.10298	17.7
238.07373	2.4
239.08192	2.9
250.08725	1.5
251.04622	2.5
251.08153	3.3
252.05461	2.6
253.09888	6.8
263.08197	2.7
265.06140	7.3
265.09802	6.3
266.06982	16.5
277.05966	2.2
278.06940	6.5
279.07739	4.7
280.08517	2.5
281.09293	85.7
282.09668	4.3
293.09296	42.5
294.09659	3.6
307.10956	1.8
313.11844	15.3
314.12448	7.0
325.11920	2.4
329.25159	1.5
428.16125	6.2
460.19016	3.0
505.30490	1.8
564.23608	2.0
580.22998	3.9
588.33258	1.7
608.22473	82.9
609.23108	9.0
640.25073	31.7
641.25238	4.8
652.21301	17.5
653.22241	3.4
671.87738	1.6
684.24017	100.0
685.24298	15.7
716.26807	36.0
717.27209	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	713.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.00709	0.8
57.03310	5.7
59.01249	7.2
59.14627	1.0
61.98693	1.0
67.01727	1.5
71.00936	0.8
71.01253	8.2
71.57373	1.3
72.99168	3.7
73.02819	1.0
75.00745	35.6
78.95760	2.6
78.96228	0.7
83.01253	1.4
83.52276	0.9
84.03053	0.7
85.02820	36.0
87.00721	3.4
89.02293	0.9
95.01251	2.2
99.00749	4.4
113.02326	26.7
114.02680	1.1
115.00235	1.0
115.89812	0.9
116.01032	4.6
117.01790	1.7
129.01808	1.3
152.99445	1.9
154.99503	1.2
157.01311	2.4
174.95647	0.8
175.02284	1.7
195.34030	0.8
217.00215	2.3
277.21680	1.4
291.81143	0.8
301.41214	0.8
329.23520	1.6
374.99219	1.5
391.30069	1.4
392.29874	1.1
407.33157	2.4
593.27234	1.8
631.38464	100.0
632.38660	15.4
653.35394	4.0
697.35034	1.5
713.38678	29.6
714.39020	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.5
69.03310	0.8
69.68176	0.3
71.01239	0.9
74.91052	0.3
74.95244	0.3
78.26524	0.3
81.86315	0.4
87.04302	0.3
87.92393	1.5
95.04900	0.6
96.95874	0.8
102.94554	0.3
103.91896	4.7
104.92680	3.1
105.93456	0.4
106.94241	1.3
123.94526	1.2
127.07534	6.2
130.94273	0.9
139.11197	1.6
140.96367	0.5
141.09030	0.4
147.11682	0.5
154.03058	0.3
154.97931	0.5
163.11177	2.1
165.12756	19.0
165.41701	0.3
166.13112	1.0
166.97894	0.4
171.10175	0.8
180.99472	0.4
181.12175	1.1
185.57446	0.3
193.08357	0.9
199.00519	0.5
201.02162	3.3
209.11853	0.3
215.01744	0.3
217.03113	0.4
219.04684	0.5
227.03716	0.5
229.95148	0.5
233.02560	0.3
233.11678	0.7
235.04277	1.0
237.05780	3.9
239.03691	0.6
239.07372	7.0
240.07547	0.4
251.03725	1.1
253.05298	2.1
259.73416	0.3
263.03720	4.4
265.05304	28.6
266.05594	2.4
267.03214	0.8
269.04727	1.2
279.03253	1.1
281.04868	2.7
282.07086	0.6
283.06360	66.3
284.06668	4.4
295.02811	0.4
297.04364	1.8
329.23169	1.0
346.91602	0.4
365.14487	0.6
377.27341	0.4
381.13965	0.5
382.15790	0.7
383.15240	100.0
384.15558	9.4
384.20422	0.6
415.14197	9.0
416.14706	0.6
465.67560	0.3
476.18726	1.1
477.18762	3.8
526.15656	0.4
594.53943	0.3
595.28992	0.4
705.60956	0.4
713.39319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08369	0.3
59.01249	100.0
60.01583	0.8
61.98713	0.5
71.01257	0.9
75.22082	0.4
78.30238	0.3
78.95776	0.7
85.02832	0.3
87.92381	0.5
89.02309	0.4
96.95874	0.4
97.02869	0.5
102.98768	0.7
113.02369	0.5
117.00323	2.9
118.52584	0.3
130.94205	0.4
141.01593	63.8
142.01913	1.1
154.58549	0.4
191.94868	0.3
213.14908	1.1
217.00348	0.4
229.19566	0.4
243.03606	0.8
260.21521	0.3
295.13959	3.9
337.14984	0.5
397.13516	0.6
515.15570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.6
61.98723	0.6
71.01251	1.2
71.56668	0.4
71.57133	0.5
78.95804	0.5
83.12915	0.4
85.02802	0.6
96.95892	0.4
102.98795	0.7
103.91943	0.4
107.93063	0.4
116.48921	0.4
117.00324	1.9
123.69775	0.5
141.01593	64.7
142.01927	1.4
154.98140	0.4
171.10197	0.7
195.13837	0.8
201.11253	1.6
213.14929	1.2
217.00209	1.2
253.13148	0.5
254.12665	0.4
281.12311	0.6
283.13885	0.5
293.21280	0.7
295.13849	4.0
296.14047	0.6
309.16672	0.7
337.15018	1.2
374.99176	0.6
429.12598	0.5
460.10904	0.5
461.11325	0.6
508.36090	0.5
530.44159	0.5
619.45508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.03316	0.7
59.01249	100.0
60.01572	0.9
64.71304	0.2
69.92612	0.4
69.93021	0.6
71.01253	9.0
72.99178	0.3
73.02818	3.8
75.00747	0.5
83.01257	1.6
85.02824	4.6
87.00764	0.5
89.02295	0.4
95.01276	0.6
96.95897	0.8
97.02860	0.3
98.19872	0.3
99.00759	1.3
101.02321	7.2
109.30945	0.2
113.02325	3.3
125.02361	0.3
127.58627	0.2
129.01819	0.2
143.03429	0.4
159.02950	0.8
159.50380	0.2
161.04451	3.9
190.05156	0.2
205.03609	0.3
269.10294	11.6
270.10782	0.5
287.15332	0.3
294.69891	0.2
311.11343	4.4
312.11682	0.3
480.19574	0.3
633.96606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12778	0.4
53.99027	0.4
55.01762	4.0
57.03320	4.3
57.71982	0.4
58.00467	1.9
59.01248	84.2
60.01585	0.8
63.04194	0.3
67.01740	0.6
68.99706	0.5
69.03325	2.8
69.44514	3.4
71.01250	48.2
72.01572	0.8
72.99161	2.7
73.02817	13.9
75.00741	1.2
78.95784	1.2
79.95620	0.4
80.96331	0.4
81.03332	1.0
83.01254	10.7
84.02023	0.8
85.02818	27.4
85.99974	0.9
87.00748	5.0
87.01211	0.6
89.02314	9.7
95.01254	6.4
96.90796	0.4
96.95879	1.9
97.02819	3.6
97.60217	0.4
99.00759	5.7
101.02319	33.7
102.69916	0.4
111.00768	5.0
112.01535	1.7
112.98701	0.9
113.02325	22.6
115.03929	0.6
117.97195	0.4
119.03396	3.2
123.03893	0.4
124.01534	2.0
125.02331	7.2
129.01831	2.0
133.02930	0.6
135.04382	0.5
138.29971	0.4
141.01796	1.2
143.03383	4.9
143.10646	0.9
149.00818	0.7
159.02879	2.7
161.04436	3.7
177.01874	2.1
197.15382	0.9
283.22726	0.7
299.25879	2.9
327.28934	0.5
345.30066	7.5
346.30307	0.5
357.15244	0.4
489.34250	6.1
507.35309	14.4
508.35394	1.2
549.35883	0.5
558.60223	0.4
577.35437	0.9
587.38855	0.5
603.37140	0.5
615.37341	0.7
621.38123	0.8
651.39545	100.0
652.39923	15.6
669.40613	66.1
670.40973	9.3
711.41724	11.4
712.42175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30161	0.9
57.03308	1.7
59.01247	10.7
71.01255	7.3
72.99167	0.9
73.02804	1.4
78.95782	5.9
83.04897	1.0
85.02819	1.6
87.00757	1.0
88.58051	1.0
89.02312	3.9
97.06441	3.8
101.02346	4.7
110.98431	4.7
110.99042	0.9
113.02312	2.0
119.03397	1.0
151.11182	14.0
152.11482	1.2
152.99460	3.4
161.04410	1.9
167.01105	2.0
169.12248	100.0
170.12572	3.0
171.10196	1.6
178.80702	1.0
185.11696	1.3
195.10190	2.7
213.11290	16.0
235.08154	1.6
253.09187	2.4
255.23218	1.7
277.21710	31.8
278.22104	2.2
279.23273	72.9
280.23761	4.8
431.19144	2.9
447.25037	3.0
449.20190	8.0
559.98352	1.0
691.38446	1.1
709.41437	74.8
710.41669	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.6
58.06615	1.1
59.01255	12.2
71.01266	6.4
73.02824	1.9
78.95768	5.0
80.96392	2.7
81.03339	1.5
83.04902	1.7
85.02818	2.8
85.92256	1.2
87.00762	1.9
89.02323	2.9
94.24645	1.1
95.04899	2.8
97.06461	6.9
98.20601	2.1
101.02318	5.2
104.67882	1.2
113.02331	3.1
122.38664	1.1
125.02332	1.1
151.11185	22.2
152.99489	5.1
169.12253	56.4
170.12589	2.8
171.10121	1.6
195.10172	2.4
195.70499	1.2
207.10367	1.6
213.11255	14.9
225.11189	1.9
231.60001	1.4
235.08197	2.7
253.09291	5.2
255.23329	2.7
277.21710	80.6
278.22025	7.0
289.86575	1.2
431.19070	2.8
449.20261	4.3
527.97504	1.3
691.37677	1.8
709.41638	100.0
710.41882	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	709.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34523	1.6
70.88327	2.1
70.88659	3.2
71.96306	1.6
78.95766	18.2
79.95615	3.4
96.95879	28.9
102.55245	1.5
107.78353	1.9
110.98411	8.1
126.35152	1.7
134.23277	1.8
152.99486	2.6
158.24895	1.7
167.01083	1.9
220.37068	1.8
259.02945	1.6
276.46863	2.3
277.21765	8.8
279.23270	100.0
280.23639	11.9
281.25046	6.4
447.25153	3.1
451.24539	1.9
473.23199	2.1
709.47894	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	711.1415
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.20957	1.2
58.66819	1.4
61.28065	1.2
63.02265	2.0
65.00193	5.6
69.61706	8.4
71.01222	1.1
71.43922	1.1
83.01244	1.9
86.13557	1.3
88.87224	1.3
94.51693	1.1
96.95895	3.8
107.01263	10.2
111.00744	1.7
125.02334	4.6
127.27507	1.2
139.03926	1.6
147.00838	1.3
148.01558	2.7
149.02342	23.0
151.00267	33.7
163.04068	1.2
169.01445	1.8
177.01640	1.9
189.01776	1.7
191.03305	1.5
199.03929	1.9
201.01860	1.3
203.03506	1.5
215.03444	3.3
227.03441	3.3
231.03017	2.4
243.02907	1.6
257.04324	1.4
271.02466	67.5
272.02856	5.3
299.01947	80.2
300.02722	74.7
301.03503	100.0
302.03851	7.1
377.64954	1.3
462.08035	46.0
463.08780	42.5
464.09009	3.7
505.09875	79.0
506.10486	8.1
552.50317	1.3
667.15155	60.0
668.15295	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	709.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.4
57.03328	5.0
58.00470	4.0
59.01251	100.0
60.01596	0.8
60.74071	0.8
61.98716	1.0
69.03326	3.1
70.29729	3.2
71.01254	79.2
71.04895	1.6
72.01612	1.9
72.99181	5.9
73.02818	14.6
75.00756	1.5
75.40092	0.8
78.95785	1.6
81.03304	0.9
83.01258	10.1
83.04907	1.9
84.02038	0.9
85.02821	27.8
86.00031	0.9
86.03197	0.8
87.00757	7.8
87.53136	0.7
89.02319	43.9
90.02649	1.1
95.01271	7.3
95.04929	1.4
96.95888	3.6
97.02840	2.3
97.06480	1.2
98.20455	1.0
99.00754	5.9
99.51141	0.7
101.02324	45.6
101.05963	1.3
102.02678	1.3
105.32266	0.7
111.00732	1.6
112.98711	1.9
113.01525	1.6
113.02325	33.0
113.05952	1.3
114.02671	1.1
118.97988	1.7
119.03383	18.5
124.01545	1.7
125.02311	5.4
125.05973	1.1
127.11264	1.2
129.01859	1.2
131.03409	2.6
137.09666	1.0
139.00343	0.8
143.03409	6.3
149.04340	0.8
149.16417	0.8
159.02916	2.7
161.04460	14.7
171.10234	2.3
172.10535	1.1
179.05554	5.7
185.11804	0.7
197.11891	2.5
209.11716	4.3
227.12856	1.7
241.21742	2.5
253.09358	0.9
263.11380	1.5
279.23428	3.2
291.19745	1.2
292.20203	1.3
299.85016	0.8
307.26620	1.4
309.20715	6.0
310.21042	5.2
311.21561	5.9
343.28534	2.1
397.13580	1.0
398.13968	2.1
403.27240	1.6
415.14618	2.1
416.14957	2.1
417.15292	2.3
436.54611	0.8
451.30997	1.0
469.32040	2.7
470.32401	0.9
487.32861	9.8
488.33517	1.7
505.33826	7.9
506.34351	1.2
522.16650	0.8
529.34387	2.3
601.36230	0.9
631.37604	1.9
632.37134	0.9
649.38031	75.5
650.38306	14.0
667.39081	60.2
668.39563	12.0
709.40308	16.9
710.40521	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	709.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20353	0.4
57.03318	0.4
59.01248	7.3
59.71507	0.3
69.03319	1.4
69.70535	2.6
71.01253	4.1
72.99165	0.4
73.02814	1.3
74.98972	0.4
78.95790	1.9
79.95624	0.7
83.01276	0.6
83.04893	0.5
85.02824	1.7
87.00768	0.7
87.92405	1.7
89.02319	1.9
95.04905	1.0
95.95107	0.5
96.95894	4.6
97.02821	1.1
97.06464	0.4
101.02342	2.2
103.91908	7.6
104.92680	4.8
105.93466	0.4
106.94257	1.7
112.98727	0.5
113.02348	1.4
114.94733	0.7
118.97965	2.8
119.03391	0.7
123.94536	1.5
124.96871	0.5
125.02326	0.5
127.07536	5.6
130.94266	0.5
133.02831	0.6
137.09598	0.8
140.96355	1.0
141.09171	0.4
153.56418	0.4
155.95039	0.4
161.04407	0.8
163.11223	1.6
164.96428	0.5
165.12759	15.3
166.13091	1.1
179.10822	0.4
180.99512	0.5
181.12308	1.9
183.01018	0.7
191.10716	0.8
193.08322	0.4
193.31299	0.4
199.00598	0.8
201.02200	1.9
207.01195	0.4
209.02684	0.4
209.11760	1.0
217.03284	0.6
221.02841	0.4
235.04308	1.1
237.05798	2.8
239.03758	0.8
239.07361	6.2
247.04305	0.6
249.02022	0.5
249.05943	0.5
251.03780	1.7
253.05229	3.5
254.06021	0.5
255.03270	0.4
257.04752	1.0
261.11069	0.9
263.03683	4.0
265.05307	26.2
266.05634	1.6
267.03278	0.9
269.04782	1.2
279.03201	1.5
279.23303	1.7
281.04758	3.7
283.06378	57.8
284.06747	4.1
285.04437	0.5
293.04733	3.7
297.04218	2.0
300.02917	0.5
307.02740	0.4
309.20590	1.2
310.21002	1.0
311.05859	13.5
311.21799	0.9
312.06619	2.6
323.02390	0.6
327.21887	0.6
343.04990	0.7
351.12616	0.5
365.10852	0.4
380.14325	0.5
381.13675	100.0
382.14014	9.2
397.13113	0.6
413.12671	13.5
414.12891	1.4
476.18765	1.5
477.19022	3.9
478.19476	0.5
487.34543	0.5
495.19696	0.9
593.27600	0.6
605.34967	0.5
649.38770	0.8
667.39362	1.2
709.34692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
58.00440	0.4
59.01250	9.5
66.37709	0.5
71.01253	15.6
71.57917	0.5
71.58361	0.7
72.01521	0.4
72.99169	1.6
73.02833	1.1
78.95766	0.4
83.01252	1.5
85.02821	1.5
87.00750	32.1
88.01106	0.6
89.02303	0.6
96.95889	5.9
101.02317	1.1
111.00762	1.0
112.98692	1.2
113.02337	0.9
115.00256	49.6
123.60788	0.4
127.00257	1.6
139.00281	2.9
152.35597	0.5
157.01335	4.2
175.02394	100.0
176.02715	3.3
267.11310	0.4
295.10883	0.7
301.11798	0.7
319.12894	0.5
321.08661	1.0
353.11334	1.3
371.12454	1.1
385.51019	0.5
397.10132	0.9
429.13058	1.9
447.14288	0.7
460.39993	0.4
465.10233	0.4
501.15399	0.7
533.17828	2.2
534.18536	0.5
547.15472	0.5
549.61188	0.5
563.18854	0.7
591.18469	1.6
661.18903	0.7
709.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47245	0.3
55.01754	0.7
55.69341	0.3
57.03323	0.7
58.00452	1.0
59.01251	45.9
69.03333	1.1
69.45904	3.3
70.43613	0.4
71.01254	25.6
72.99176	1.3
73.02818	15.8
75.00748	0.5
78.95773	0.9
81.03281	0.7
83.01252	5.1
85.02819	5.2
87.00735	3.5
87.69961	0.4
87.79760	0.3
89.02315	9.0
95.01254	1.1
96.95898	8.2
97.02830	1.5
99.00746	1.2
101.02319	20.5
108.02057	0.6
109.02836	5.1
113.02326	9.2
119.03408	4.4
125.02381	2.1
131.03389	0.6
134.04587	0.6
143.03392	1.1
149.04422	0.5
153.01833	8.3
161.04443	1.3
177.01764	0.9
183.13817	0.9
195.12033	0.7
195.13826	12.6
196.14149	1.0
203.05605	0.6
205.14624	0.4
213.14890	5.7
237.15039	0.5
357.19180	7.1
375.20172	17.7
376.20630	1.2
399.20132	3.2
417.21271	100.0
418.21582	9.1
441.20847	0.4
459.22403	1.3
501.22882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
59.01250	48.5
60.01583	0.6
71.01249	6.1
71.58415	0.7
72.99169	0.5
73.02823	1.7
78.95779	4.1
83.01250	0.9
85.02806	3.3
88.12997	0.5
89.02303	2.0
99.00761	1.1
101.02322	5.5
104.23795	0.5
109.06545	0.6
113.02300	2.8
113.17024	0.6
119.03427	0.7
127.84348	0.4
131.55206	0.5
152.99486	6.5
159.02864	0.8
161.04437	2.8
163.11157	0.7
171.00523	1.4
171.10210	1.0
199.09644	0.6
207.10280	1.7
209.11763	4.3
210.12129	1.9
211.13438	1.2
225.11276	3.5
243.12347	0.9
253.21672	1.0
277.21716	100.0
278.22046	9.0
279.23090	2.5
291.23187	0.8
379.11591	0.6
387.20212	9.1
388.20770	0.6
453.15210	2.2
471.16483	4.1
525.46039	0.6
653.92804	0.5
671.74017	0.6
689.37341	0.8
707.37683	5.7
708.38159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90034	0.8
59.01249	30.2
60.01593	0.8
71.01236	3.2
71.59263	1.0
78.95754	1.2
81.03323	1.2
85.02834	3.9
95.01250	3.2
96.96889	0.7
101.02299	1.8
107.04888	1.7
108.02047	100.0
108.05230	1.1
109.02838	56.8
110.03183	1.2
113.02312	1.2
121.02808	1.0
123.00750	3.3
125.02275	1.2
133.02892	1.2
135.00758	1.0
143.90848	0.9
151.03833	2.0
152.01048	69.7
152.99438	1.3
153.01836	29.8
163.03947	1.0
176.11201	0.7
183.13829	4.4
195.13817	5.6
204.26012	0.8
213.14879	13.6
214.15289	1.5
244.89421	0.7
277.21643	3.9
278.22009	1.2
279.23047	1.3
397.13245	1.0
707.36401	91.8
708.36774	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	707.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77821	0.2
59.01249	1.6
61.98697	0.2
70.90599	0.2
81.03333	0.9
91.01767	0.5
94.33247	0.2
98.19760	0.5
108.02045	3.2
109.02834	79.6
110.03162	2.3
114.69553	0.2
117.79386	0.2
153.01836	100.0
154.02177	2.9
158.04297	0.2
213.14946	0.6
229.41272	0.3
232.90863	0.2
277.21808	0.5
279.23340	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67370	0.5
55.01756	0.8
57.03322	1.9
58.00457	1.6
59.01252	28.1
69.03329	2.9
69.14816	0.4
71.01250	18.6
71.21755	1.1
72.99176	1.7
73.02824	3.7
73.70377	0.5
75.00736	0.8
77.47252	0.4
78.95778	0.9
79.39317	0.5
83.01237	2.8
83.04888	1.0
85.02825	4.7
85.99969	0.5
87.00743	3.8
89.02317	18.1
95.01254	1.5
96.95883	5.6
97.02839	3.6
99.00743	1.0
99.04347	0.5
101.01689	0.9
101.02320	14.4
107.04929	0.5
109.06439	0.7
111.00700	0.6
111.08042	7.6
112.98704	0.7
113.02338	7.1
119.03393	6.0
119.08575	2.5
121.02881	0.4
125.02336	4.3
125.09605	1.2
127.07559	0.8
134.20874	0.5
135.07961	0.5
137.09633	3.0
142.42157	0.5
143.03403	2.4
151.11154	0.7
153.12755	0.6
155.10660	0.6
161.04457	3.6
165.12743	0.8
167.10681	1.7
169.12248	2.7
171.10182	14.4
172.10468	0.5
179.05550	5.4
181.12198	1.4
181.84850	0.5
183.13809	0.8
185.11749	3.3
193.12257	0.6
197.11760	31.5
198.12117	1.8
199.13298	1.7
201.11290	1.2
207.10280	0.5
209.11771	1.8
209.15410	2.0
210.12137	0.7
211.13358	5.4
213.11324	0.8
221.06676	1.1
227.12840	1.8
229.19595	0.8
233.15477	0.6
235.08160	3.5
239.45213	0.6
251.16429	1.4
253.09349	1.3
263.07587	0.6
263.20193	2.1
265.17953	1.0
273.18668	1.5
277.21497	0.5
278.21793	0.6
291.19672	16.6
292.20108	1.3
304.89551	0.5
305.08624	0.6
309.20709	100.0
310.21051	8.8
323.09930	0.7
325.88919	0.5
337.91199	0.5
397.13498	21.6
398.13654	1.9
415.14584	31.0
416.15042	3.2
513.58124	0.5
707.36029	0.7
708.36066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03332	0.6
59.01248	100.0
60.01586	0.8
69.24864	0.9
69.25277	2.2
69.30722	0.3
71.01251	8.2
73.02817	3.6
79.65275	0.3
83.01234	1.9
85.02815	4.1
87.00773	0.5
89.02310	2.1
89.40716	0.3
95.01305	0.4
96.95885	8.6
97.02793	0.4
99.00753	1.3
101.02316	10.5
113.02328	4.8
119.03387	0.4
125.02312	0.4
129.01924	0.4
138.06854	0.6
151.07570	0.3
152.08305	0.7
153.09102	2.3
156.90881	0.3
159.02945	0.6
161.04437	4.4
179.05458	0.3
189.77049	0.4
199.62100	0.3
205.12329	1.0
223.13481	1.4
235.11824	17.1
236.12032	0.7
277.12903	8.8
278.13205	0.4
285.04172	0.6
321.11926	0.6
321.15579	0.4
331.76959	0.3
385.18579	2.1
452.94885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.5
59.18338	0.2
60.87733	0.2
63.32302	0.2
71.01250	0.5
71.48618	0.2
71.57655	0.3
78.95772	3.6
79.95598	2.3
84.16315	0.2
84.46641	0.1
96.95885	100.0
96.96775	5.5
106.34595	0.2
111.29508	0.1
151.03897	0.4
159.14697	0.2
175.03912	0.2
179.05565	0.3
184.86565	0.1
193.04897	0.2
208.10617	0.1
223.05989	0.3
249.00795	0.4
253.07143	0.2
256.08560	0.2
281.49225	0.2
336.92343	0.1
355.13593	0.1
423.06052	0.2
630.32336	0.2
632.34149	0.2
698.48236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03310	1.6
58.00461	0.5
58.74285	0.2
59.01251	35.9
59.37637	0.3
62.56429	0.2
68.68316	0.3
69.03320	0.8
70.71408	0.3
71.01250	16.3
71.06702	0.6
72.99178	1.4
73.02812	7.2
75.00758	0.4
83.01257	4.0
85.02818	8.8
85.99952	0.7
87.00765	1.5
89.02309	5.0
95.01260	1.3
96.95882	4.3
97.02838	0.9
98.95456	0.3
99.00753	2.9
101.02319	14.2
111.00787	0.4
112.01531	0.4
113.02325	6.8
119.03370	2.0
125.02309	1.0
131.03360	0.4
143.03400	1.0
159.02892	0.6
161.04466	1.1
165.99193	0.3
193.12244	0.8
211.13347	1.2
315.19745	0.3
329.19641	0.6
330.21179	0.3
355.17563	4.9
356.17554	0.4
373.18652	19.5
374.18845	1.7
397.18646	1.3
415.19708	100.0
416.20059	9.0
457.20621	1.6
598.10974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58193	56.8
71.58611	100.0
78.95793	99.7
130.32182	71.6
152.99493	68.2
195.37418	74.7
232.10097	60.5
277.21625	72.1
367.84204	68.3
368.41815	77.2
470.32086	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58536	56.8
78.95777	100.0
102.21133	33.0
120.38620	32.1
152.99557	39.8
161.69858	25.5
171.10139	42.2
236.65411	32.4
337.85736	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
59.85614	0.1
71.01234	0.3
71.58088	0.2
72.41802	0.1
78.95771	4.6
79.95603	2.6
89.02312	0.4
96.95885	100.0
96.96772	5.5
97.95813	0.2
98.95457	0.1
101.02355	0.1
107.04924	0.1
119.03380	0.1
150.53053	0.1
151.03915	0.6
161.04445	0.1
164.28946	0.1
179.05527	0.5
191.05522	0.2
194.41924	0.1
206.99724	0.2
221.10258	0.1
249.00807	0.3
269.04538	0.5
269.39993	0.1
285.04269	0.1
297.84613	0.1
331.10330	0.1
341.03448	0.2
361.03442	0.1
422.69714	0.1
423.06180	0.2
455.06451	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.9
63.89848	0.4
69.03326	0.4
71.01243	4.5
72.99168	0.4
73.02818	0.8
78.95757	0.4
79.95602	52.8
80.96387	1.4
83.01229	0.5
85.02831	1.3
86.40549	0.4
87.00755	1.1
89.02316	2.5
93.03297	2.0
95.01258	1.2
95.04890	0.8
95.95102	14.4
96.95883	100.0
97.95840	0.7
98.95445	1.1
99.00770	0.5
101.02317	2.6
103.00249	0.5
107.04900	0.8
109.02848	1.4
111.00702	0.5
111.04399	0.6
113.02330	1.9
119.03417	1.0
121.02842	5.6
121.06517	0.7
123.00771	0.6
123.04418	2.9
125.02289	0.7
133.02846	1.4
135.08075	0.7
135.19565	0.5
137.02330	3.5
139.03961	1.3
147.00764	0.6
148.01555	0.8
149.02348	2.7
149.05977	0.5
151.03944	0.8
153.01820	0.5
161.04486	0.7
163.00269	1.3
163.07585	0.4
165.01840	11.0
165.05504	1.4
166.02533	1.0
171.08113	0.6
173.09613	1.4
177.09152	0.5
191.05510	1.1
193.05038	1.0
197.09666	1.5
215.10696	0.9
216.99864	1.1
217.12315	0.7
265.05588	2.9
277.10916	0.4
292.66602	0.5
295.06448	0.5
337.03870	2.8
338.04272	0.5
339.05252	0.8
353.31638	0.4
355.04886	2.4
357.06436	0.7
389.05569	0.8
402.09607	0.5
439.15738	2.5
501.11206	0.8
519.11707	2.6
560.11938	0.6
615.13763	0.6
627.14069	1.7
643.13074	0.9
653.15082	3.2
654.15869	0.9
657.15161	0.8
669.14911	2.4
670.14868	0.8
671.14612	0.5
685.14465	5.8
686.14917	6.7
687.15515	0.8
703.15375	9.7
703.27045	0.7
704.15637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86216	0.4
55.93624	0.3
57.03312	1.6
59.01245	0.8
60.99173	0.9
66.62705	0.4
69.03312	1.2
69.55587	1.7
69.56019	1.2
71.01244	0.6
73.02797	0.6
79.05398	0.8
83.04881	2.3
87.00764	0.6
93.03319	0.4
93.06969	0.5
95.04913	1.0
96.95901	2.1
97.02814	0.4
98.19818	0.9
99.48697	0.4
101.19206	0.4
105.06924	0.5
107.04905	1.0
107.08574	0.4
109.06464	0.8
111.04394	11.1
113.02303	0.5
119.08557	1.1
121.06475	2.2
122.03622	0.6
123.04430	2.4
131.08514	0.8
131.84172	0.3
133.06476	0.8
133.10167	0.5
135.08054	2.3
137.02377	0.4
143.08537	0.7
145.10112	0.6
147.08043	0.8
149.05931	0.8
157.06503	0.5
159.08037	1.6
159.11708	0.6
161.05943	0.4
161.09604	0.6
163.07559	2.2
169.10165	2.4
171.11720	8.7
172.11992	0.7
173.05788	0.5
173.09688	0.5
173.13297	3.3
175.07530	1.6
185.09610	1.1
187.11209	5.7
189.09116	0.5
189.12766	9.0
199.11159	1.2
203.10692	0.9
205.12253	1.3
213.09203	0.8
215.10725	14.9
216.11047	1.2
217.12279	16.2
218.12657	1.0
231.10072	0.9
233.11783	31.7
234.12192	2.1
235.13394	0.4
259.09714	1.4
261.11276	16.8
262.11606	1.2
277.10785	100.0
278.11127	7.1
337.12863	0.4
409.42111	0.4
495.24066	0.9
539.22668	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	702.251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79306	1.9
58.00459	2.1
59.01251	45.4
70.92117	3.6
71.01254	31.9
72.99184	2.0
73.02790	2.0
83.01224	2.1
85.02808	7.5
87.00710	3.1
89.02316	26.9
92.04232	1.9
96.95880	18.9
101.02313	19.2
105.06475	2.0
106.06502	5.4
112.03896	2.8
113.02305	8.7
116.04941	6.0
119.03404	9.8
122.06014	2.4
123.03091	5.2
124.03912	5.8
132.04388	6.9
134.06010	73.5
135.06282	2.9
138.05507	19.3
144.04442	2.2
152.07082	5.8
158.02379	2.4
160.03947	24.0
161.04326	2.3
164.07036	4.9
184.06041	2.5
190.05017	18.9
192.06584	100.0
193.06790	3.0
204.06573	8.7
213.44806	2.1
215.48624	2.1
255.11339	4.0
267.11298	3.5
281.09363	4.2
307.10794	9.2
314.12402	5.3
337.11633	2.8
339.13470	33.6
340.14050	2.6
410.43967	2.5
487.17178	29.5
487.23486	3.7
517.18311	6.5
519.19812	94.3
520.20593	10.8
582.24652	2.8
608.22125	8.8
626.23596	21.2
627.23572	3.7
652.21234	3.1
670.22693	29.9
684.23773	9.1
702.24976	35.7
703.25842	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53331	1.3
59.01248	100.0
60.00789	1.5
60.01574	1.6
78.95774	3.0
90.74903	1.2
111.99174	1.3
120.36907	1.3
152.99492	1.8
170.25427	1.4
277.21649	1.9
279.23431	1.4
421.68085	1.7
438.13263	5.4
452.14108	1.5
481.15155	30.6
482.15521	8.0
495.16769	11.8
496.17261	3.3
497.18054	5.2
514.14490	1.6
525.13861	2.0
539.15710	1.8
540.16455	7.5
554.18170	2.8
555.18829	52.5
556.19019	10.2
572.15381	13.8
573.15826	3.1
586.16870	5.8
609.19794	2.0
641.22614	20.9
642.22711	5.5
701.24689	44.9
702.24774	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	701.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08171	2.8
59.01248	42.2
60.14489	3.6
61.20061	2.8
62.30691	3.0
64.59805	2.5
66.16168	2.5
70.11126	11.0
71.01247	40.7
72.99152	3.6
73.02811	6.6
74.42837	2.8
83.01263	5.8
85.02820	10.4
87.00745	5.9
89.02312	39.1
93.03316	4.8
96.95884	14.3
101.02314	31.1
105.96300	2.9
113.02325	15.4
119.03397	20.7
122.03644	11.5
133.02803	4.5
134.03651	3.2
149.02319	24.4
149.04369	4.0
150.03108	100.0
151.03641	3.3
161.04469	7.0
164.04715	5.0
165.05472	93.4
166.06197	12.8
179.05544	30.1
180.04169	7.4
181.08609	10.7
191.05585	5.1
195.06552	32.1
204.05745	3.0
268.72070	3.2
290.92633	2.9
296.92706	2.9
314.11755	3.9
329.13931	13.4
343.14108	17.5
491.13113	2.7
491.19144	77.4
492.19556	5.1
539.21375	62.1
540.21857	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	701.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80563	0.1
59.01241	0.4
70.99472	0.1
71.01246	0.1
78.95777	0.1
79.95603	1.7
91.26961	0.1
96.95884	100.0
97.95809	0.2
98.20663	0.2
98.95485	0.1
99.08038	0.3
103.00195	0.2
113.02316	0.1
116.73045	0.1
133.52463	0.1
145.08545	0.6
173.09438	0.1
216.90919	0.4
229.87479	0.1
261.11401	0.1
277.10745	0.1
339.05408	2.4
340.05701	0.2
398.09558	0.1
410.40637	0.1
430.32123	0.1
459.00275	0.3
509.21494	0.6
521.21912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07648	0.6
54.08939	0.7
57.03327	1.6
58.00458	2.8
59.01252	45.4
65.91131	0.6
66.13540	0.7
69.03326	0.6
70.94878	1.9
71.01254	51.9
72.01567	0.9
72.93040	0.6
72.99188	5.3
73.02809	3.4
75.00746	2.0
78.95774	3.8
83.01257	3.0
85.02821	12.3
87.00758	4.6
89.02319	66.4
90.02659	0.8
95.01282	2.8
96.95895	6.6
97.02823	1.3
99.00768	2.7
101.02327	35.3
111.00741	2.9
113.02333	33.1
115.03886	0.6
119.03399	8.4
123.04415	1.6
124.03912	1.1
125.02339	1.7
129.01828	2.5
131.03398	3.6
135.04419	8.8
141.01817	1.3
143.03416	5.9
149.04448	2.1
151.03989	0.6
152.99474	1.5
153.05559	1.2
155.03369	0.9
159.02876	0.8
161.04491	12.0
167.03325	0.8
179.03506	1.7
179.05534	31.8
180.05893	1.2
195.05054	2.7
196.05380	1.1
197.04535	2.9
203.05544	2.6
233.06555	1.2
245.04276	2.6
251.07680	0.7
308.66452	0.7
315.11072	1.0
323.09872	8.7
331.78348	0.8
341.10934	12.7
359.09970	7.2
395.12009	3.3
485.15137	22.0
486.15469	1.6
503.16403	1.1
521.13049	1.2
665.21478	100.0
666.21826	11.2
701.18976	16.6
702.19812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03319	0.4
59.01250	100.0
60.01582	0.7
66.60535	0.3
71.01254	6.7
71.38801	0.8
72.99206	0.4
73.02824	3.2
77.04757	0.3
79.95630	0.3
83.01241	2.0
85.02825	3.8
87.00790	0.3
89.02336	0.8
95.01283	0.7
96.95895	4.3
99.00769	1.0
101.02320	9.1
106.36214	0.4
109.99030	0.3
113.02349	2.9
143.03418	0.5
157.67644	0.3
159.02956	0.4
161.04453	2.1
263.14999	12.9
264.15402	0.8
299.02017	0.3
305.16080	3.9
343.39600	0.3
369.22073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01252	10.0
69.03317	0.6
69.48888	1.0
71.01256	7.1
71.04890	3.3
73.02812	0.9
74.29443	0.1
75.09844	0.1
81.03318	0.5
81.44177	0.1
83.04894	2.5
85.06477	0.2
87.04397	0.4
91.85915	0.1
93.03342	0.3
95.04894	0.4
96.95896	1.5
97.06465	0.3
99.04379	0.2
99.08037	5.5
100.08342	0.2
101.05943	1.1
109.06482	2.1
111.04421	1.0
111.08043	7.7
112.08423	0.1
113.09595	0.4
115.03925	0.3
123.04451	0.2
125.05998	0.2
127.07553	1.3
129.09111	4.2
137.05981	1.7
139.11189	1.5
139.89816	0.2
141.09111	0.6
143.10587	0.1
153.05515	0.2
155.07048	12.2
155.10693	0.4
156.07381	0.6
157.12238	0.3
165.12735	1.2
173.08105	1.9
177.12732	0.3
181.12270	0.5
183.13803	0.2
193.15933	0.9
195.13795	0.1
201.14923	2.0
211.16971	0.2
219.13866	0.5
222.51895	0.2
237.14926	2.8
255.15993	3.2
261.11249	0.2
263.12885	2.1
269.41742	0.1
273.17065	100.0
274.17413	6.9
274.20499	0.3
283.69815	0.1
504.57611	0.1
705.75555	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54567	0.9
57.03299	1.0
59.01247	46.8
60.53094	0.8
69.03323	0.9
71.01250	24.6
72.99160	2.4
73.02813	18.3
73.43676	0.9
75.00745	5.9
78.95773	2.0
83.01248	8.8
85.02824	3.4
87.00752	4.0
88.23069	1.0
89.02321	8.2
93.03304	1.5
95.01219	0.9
96.95881	23.0
97.02856	1.1
98.20738	1.5
98.95483	0.9
99.00757	15.7
101.02316	24.6
109.02823	1.8
111.00724	1.9
112.98663	2.3
113.02337	5.9
113.99469	8.6
115.00277	2.2
117.01804	5.8
119.03374	2.6
119.04857	1.1
125.02310	1.4
128.01030	1.0
129.01791	1.3
131.03391	2.1
135.02846	2.1
135.04410	1.7
140.89308	0.8
143.03357	2.6
149.04440	3.8
150.42796	0.8
152.99477	1.4
153.16058	0.9
155.03380	1.6
156.00557	10.6
161.02357	1.3
161.04486	7.0
162.03137	2.5
163.03818	1.4
163.73895	0.8
164.04707	1.1
174.01614	100.0
175.02191	4.0
175.03856	1.7
177.05493	1.9
179.03378	1.0
191.05595	2.1
207.06514	2.1
211.42819	1.0
221.06541	2.4
239.06934	1.0
251.07008	1.3
268.07480	2.9
271.16940	1.0
279.06824	1.2
280.07367	2.3
281.08496	0.8
283.09802	1.7
295.06006	1.1
295.09634	0.9
295.65128	0.9
307.06158	1.6
313.10748	3.6
322.08530	1.5
325.10876	2.7
337.10864	5.5
343.11978	1.3
343.18912	1.1
353.09595	0.9
595.27460	6.1
651.22363	1.0
655.29065	1.0
699.31244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51809	0.1
54.38542	0.1
57.01551	0.1
57.49023	0.1
59.01245	0.9
62.32143	0.1
68.53044	0.1
68.58789	0.1
69.32222	0.2
69.32632	0.9
71.01219	0.6
73.02799	0.1
75.00767	0.2
78.95753	0.2
79.95622	0.1
81.03322	0.5
84.86866	0.1
85.02847	0.2
87.00744	0.2
89.02316	0.2
89.03830	2.3
89.70461	0.1
93.03333	0.1
95.04888	0.2
96.95883	1.2
98.20649	0.2
101.02323	0.4
105.03339	3.6
105.19858	0.1
112.98700	0.8
113.02312	0.2
116.84895	0.1
121.02837	0.2
133.02841	8.6
134.03255	0.2
135.04453	0.2
137.02341	0.9
138.74869	0.1
149.00916	0.2
149.02336	1.1
153.99043	0.1
163.46152	0.1
177.01839	100.0
178.02170	4.4
187.07507	0.1
247.50989	0.1
275.09268	0.3
290.57303	0.1
445.43576	0.1
449.08432	0.1
490.84280	0.1
582.08008	0.1
697.26733	0.1
705.98627	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27510	0.4
57.03312	1.2
58.00466	0.7
59.01248	73.9
60.01588	0.8
69.03317	0.8
71.01254	7.9
72.99155	0.5
73.02818	7.6
73.51303	0.4
74.57214	0.5
79.80313	0.5
83.01254	4.0
85.02838	1.9
89.02309	5.6
95.01231	0.4
96.95863	1.0
97.06432	0.8
98.19738	1.0
99.04394	1.5
101.02323	7.9
101.38091	0.5
102.64106	0.4
104.31471	0.5
109.06467	0.7
113.02317	4.8
119.03397	2.2
125.02286	1.1
131.03386	0.6
143.03397	0.9
149.04327	0.5
161.04469	1.1
165.12767	1.1
167.10649	0.5
179.05502	1.7
207.13818	4.5
209.11755	7.0
210.12225	0.5
225.14871	9.0
227.12828	39.3
228.13123	3.0
251.12849	2.4
269.13913	13.8
270.14276	1.0
287.14984	100.0
288.15344	6.9
293.14038	0.7
311.14896	1.3
329.16135	4.1
341.16138	0.6
359.17108	0.7
371.16968	0.6
389.18250	1.6
431.19141	1.6
449.20230	10.8
450.20343	1.1
473.20285	1.2
491.21301	15.3
492.21417	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	696.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.98014	0.3
57.03332	1.8
59.01249	19.8
61.98700	100.0
70.43451	0.3
71.01241	2.0
72.99179	0.9
73.02834	0.4
75.00742	10.0
84.50749	0.3
85.02822	12.7
86.21538	0.4
87.00751	1.2
95.01264	0.7
99.00747	0.9
113.02329	8.3
113.16071	0.3
115.00276	0.4
116.01019	1.1
117.01823	0.4
121.02828	0.4
123.20422	0.3
129.01836	0.5
142.09050	0.3
157.01347	1.2
175.02374	0.6
209.04564	0.4
515.39844	0.4
593.11554	0.3
633.40033	59.7
634.40393	8.8
686.66217	0.4
705.72241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06487	0.2
59.01250	100.0
60.01592	0.9
61.98707	0.3
70.59335	0.5
96.95885	0.4
101.02341	0.2
113.80964	0.1
121.02844	2.1
191.03375	0.9
209.04477	1.6
217.00298	0.4
217.82692	0.2
266.94028	0.2
374.99142	0.2
392.32999	0.2
408.88876	0.2
539.69763	0.2
593.12671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33045	0.9
65.12922	0.8
69.32798	1.0
69.42831	8.0
71.01248	2.2
77.38777	0.8
85.02834	2.6
101.02345	0.8
106.42317	1.0
108.02055	8.0
109.02840	10.1
114.61275	0.9
121.02870	1.6
122.03637	1.1
123.04396	6.2
136.01558	52.5
137.02156	1.5
146.03679	1.3
147.04425	5.5
149.02347	1.5
150.03149	3.6
151.03912	100.0
152.04260	3.8
158.03688	1.1
159.04445	2.9
160.05264	4.4
161.04410	1.1
161.05937	1.9
163.03973	2.7
164.04782	1.2
165.05478	3.8
171.04321	1.1
173.06020	2.3
175.03975	6.8
175.07573	5.9
176.04701	21.1
177.05450	1.6
178.06331	1.3
187.04031	2.2
188.04750	1.9
190.06250	3.0
191.07060	32.2
192.07468	1.4
207.05058	14.3
217.58028	0.9
219.06630	2.7
219.87206	0.9
221.08147	15.1
239.07193	2.2
249.07645	6.6
251.07079	1.5
266.05936	1.7
267.06610	11.6
268.07059	1.3
279.06628	2.6
279.12814	0.9
281.08215	4.1
282.08954	9.5
283.09705	1.9
284.10596	1.7
294.08951	1.5
295.05856	1.4
296.10464	3.8
297.11295	30.0
298.11609	3.1
299.13074	1.3
309.07407	1.8
310.08408	2.4
312.10080	3.4
325.10828	9.3
326.11337	1.3
327.12369	43.6
328.12830	4.4
329.13858	9.0
355.11761	1.7
373.12906	81.3
374.13297	6.8
422.12857	1.0
535.18231	12.0
536.18866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96496	0.7
59.01250	37.5
71.01241	1.8
71.56438	1.3
73.02820	1.4
75.27098	0.5
78.95785	1.0
80.96394	0.9
83.60204	0.5
84.14632	0.6
90.18913	0.7
95.73468	0.5
117.07965	0.6
120.71905	0.6
155.57872	0.7
183.13843	7.8
190.19400	0.7
195.13828	8.7
200.21585	0.5
213.14902	100.0
214.15218	4.9
227.16446	2.2
237.14975	1.6
241.01146	0.5
255.16048	1.9
277.21707	6.2
279.23318	1.1
291.23318	7.6
292.23529	0.9
301.21582	0.8
363.09488	0.7
369.84494	0.6
410.94949	0.7
422.80533	0.6
695.36664	1.3
710.87146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50844	0.3
59.01249	100.0
60.01587	0.9
70.96753	0.6
78.95776	12.4
84.33530	0.3
100.94257	0.3
148.99928	0.6
149.34224	0.3
152.99463	0.4
167.66501	0.3
203.46072	0.3
205.15938	1.3
211.24522	0.3
241.42561	0.3
245.94363	0.3
279.23203	0.7
285.12711	0.4
397.17453	0.4
653.29962	0.8
695.31116	43.2
696.31476	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	695.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
57.03325	4.2
58.00467	1.4
59.01249	92.7
60.01580	0.7
60.57725	0.4
61.98677	0.4
63.98080	0.3
64.98087	0.4
67.01749	0.4
68.99696	0.7
69.03316	2.3
71.01251	58.2
71.58086	0.6
71.58456	0.5
72.01585	0.8
72.99173	3.4
73.02817	13.7
75.00750	0.8
78.95774	1.5
79.40192	0.4
81.03342	0.7
83.01260	9.7
85.02824	29.1
85.99983	1.2
87.00748	4.4
87.04346	0.4
89.02315	13.2
95.01258	6.2
96.95883	1.6
97.02831	3.2
99.00755	6.7
99.01356	0.6
101.02324	32.6
102.02646	0.6
111.00773	3.5
112.01569	1.7
112.98650	0.4
113.02335	25.2
115.03930	0.8
115.18748	0.3
119.03400	4.7
123.00758	0.4
124.01523	2.2
124.74551	0.3
125.02349	7.2
127.11166	0.8
129.01833	1.3
131.03362	0.5
141.01848	1.0
142.02634	0.8
143.03406	6.5
152.99533	0.9
159.02887	2.5
161.04463	6.4
179.05533	0.9
194.93112	0.3
203.75177	0.4
233.11545	0.8
267.23450	0.6
276.93097	0.4
279.23480	1.8
283.26431	1.6
286.39673	0.4
329.30603	3.0
374.02026	0.4
415.22083	0.6
447.26993	0.6
473.28339	0.4
473.34760	7.0
474.35266	0.8
491.35837	11.0
492.36215	1.1
561.36389	1.3
571.38428	0.5
587.38348	0.7
599.37732	1.9
600.38678	0.6
605.39404	0.6
635.40076	100.0
636.40430	14.1
653.41119	70.5
654.41449	10.5
654.52417	0.4
695.42206	8.3
696.42279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1464
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.31765	0.7
59.01246	2.6
65.00201	1.4
69.66149	0.8
71.80699	0.7
73.57122	0.7
79.95580	0.9
83.01254	1.0
93.61964	1.0
96.95880	8.2
107.01265	1.3
133.02846	4.8
134.03633	1.1
143.98315	0.8
149.02330	1.5
151.00284	2.9
168.10129	0.9
174.03094	1.0
175.03928	2.3
191.05521	3.0
199.03853	1.7
211.04010	1.4
227.03352	1.0
255.02983	2.3
256.03735	3.1
275.73328	0.8
284.03226	59.7
285.04001	88.7
286.04306	5.7
327.05109	1.7
339.04913	0.9
351.03098	1.0
429.20798	1.0
447.09366	4.5
489.10342	100.0
490.10721	8.4
651.15643	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	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84296	0.4
56.40575	0.5
57.03310	0.6
58.31221	0.5
59.01249	10.4
61.98717	0.5
69.03326	0.5
71.01255	5.4
71.01615	0.7
71.58513	0.6
72.99184	1.1
73.02818	0.8
78.95775	1.2
83.01244	0.5
85.02819	4.6
87.00767	1.4
89.02323	3.0
89.03847	0.6
91.13577	0.5
95.01288	1.4
96.95889	4.8
100.84349	0.4
101.02303	2.4
112.98715	1.1
113.02329	8.0
115.81030	0.4
117.03331	1.7
119.03396	0.9
127.03903	0.7
132.02060	20.0
133.02898	1.0
134.03622	20.7
135.04456	0.5
137.02368	1.1
143.03401	1.0
147.89458	0.5
149.05983	2.6
152.04704	1.0
152.99551	0.9
157.92986	0.5
159.26883	0.5
160.01563	74.5
161.02025	3.1
167.07028	1.9
175.03915	100.0
176.04279	4.1
177.01768	0.5
178.02594	0.9
178.29970	0.4
179.03342	0.8
193.04979	13.5
194.05254	0.6
209.11696	2.5
210.12123	1.6
211.12218	0.5
211.96844	0.5
227.12869	0.5
273.97629	0.5
277.21805	0.5
279.23349	0.7
329.12454	1.7
457.16876	0.9
475.18292	2.4
505.17004	2.1
517.19165	1.1
633.21820	2.0
651.23022	11.0
652.23120	1.3
692.40839	0.7
693.23877	17.8
694.23993	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72881	2.5
59.01236	7.0
60.12720	2.2
62.94334	2.3
62.94658	2.4
69.03304	2.8
71.01245	4.5
71.57471	3.6
79.95612	2.9
85.02872	2.6
85.83747	2.6
87.05654	2.3
96.95888	24.3
99.00748	3.1
122.05994	5.8
133.29918	2.5
134.05988	6.9
140.07080	6.0
149.54085	2.4
150.05533	2.6
161.04655	7.3
164.07051	5.3
174.05615	3.2
204.06572	9.2
208.21484	2.9
209.11664	3.7
212.05884	11.7
213.10133	3.1
225.06657	3.1
237.10260	10.5
239.08220	12.1
252.10313	3.3
252.12688	8.5
253.06128	10.4
253.09796	10.5
255.11400	4.9
266.06915	3.7
267.07690	16.0
267.11270	7.2
268.08496	9.2
268.12161	9.9
273.12424	5.5
280.08502	9.6
281.09296	27.8
282.09875	4.5
283.10703	3.2
285.08832	3.2
295.10873	36.2
296.11551	21.7
297.09143	2.8
297.12216	13.5
299.10333	10.0
300.10678	3.1
301.11993	4.6
303.13379	12.4
313.11850	4.5
327.13428	12.9
339.09564	5.2
340.10538	3.6
341.11502	5.7
371.12308	6.2
372.13187	6.4
373.13925	10.6
390.14633	7.3
397.13452	8.3
415.14194	3.2
436.18781	3.2
438.16556	3.2
466.16125	6.1
511.19626	17.7
512.20142	5.0
633.25543	31.1
634.26367	3.0
643.24249	8.9
675.26617	100.0
676.26648	18.8
693.27985	32.3
694.28442	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	693.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61983	0.4
53.42884	0.5
54.98291	0.4
57.03290	0.6
59.01247	1.6
67.01754	1.3
71.01260	2.0
71.07281	1.0
73.02825	0.8
79.95599	0.6
85.02821	11.0
87.00747	2.8
93.03342	7.2
96.95909	3.1
99.04382	0.5
105.03328	1.4
109.02832	1.2
111.04380	1.6
121.02882	0.6
123.04398	0.5
125.93879	0.4
127.03898	2.1
132.02054	1.5
133.02859	14.0
134.03555	1.7
135.04419	30.8
136.04730	1.3
137.02341	0.9
145.02864	0.6
160.01563	2.5
161.02415	3.7
171.02899	1.0
173.04459	2.3
177.01833	4.7
177.05394	0.7
178.02596	1.4
179.03410	5.1
186.93692	0.4
191.05544	100.0
192.05873	3.7
215.05482	0.4
229.13893	0.5
230.79523	0.4
268.62677	0.5
295.06140	1.1
307.13910	1.6
313.07281	1.0
323.07709	2.1
343.05124	0.5
351.06894	0.7
395.09677	0.7
457.11429	14.6
458.11594	1.6
475.12439	1.6
487.12411	7.7
488.13034	1.1
553.46423	0.5
649.17719	26.7
650.18304	4.7
693.16669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09159	0.8
59.01252	2.2
67.01775	1.5
69.36288	1.0
69.36681	6.9
71.01256	1.5
79.82409	0.7
81.03339	1.3
82.20473	0.8
85.02823	14.1
87.00747	3.0
92.54818	1.0
93.03338	8.6
96.95905	2.1
105.03349	1.8
107.27288	0.7
109.02845	7.1
111.04419	2.3
123.04453	0.9
127.03911	2.7
132.02069	1.2
133.02849	12.8
134.03590	1.2
135.04420	26.8
135.23216	0.7
136.04782	1.1
137.02361	1.3
144.39528	0.8
145.02892	2.0
147.04420	1.4
157.02858	1.6
159.04431	3.0
160.01588	1.5
161.02359	2.5
161.68297	0.9
171.02786	0.8
173.04486	3.0
175.03912	1.6
177.01909	4.7
179.03455	5.3
186.16805	1.0
191.05540	100.0
192.05917	3.5
229.01411	10.8
239.07130	0.9
241.49486	0.9
249.05524	1.0
266.05685	1.1
267.06586	5.4
269.08145	1.8
277.05069	2.9
278.05594	1.0
291.21280	0.8
293.04556	1.3
294.05560	1.0
295.06064	7.7
313.07129	1.0
314.90039	0.7
323.07611	1.5
339.05084	16.6
351.07394	1.0
416.84109	0.8
439.45541	0.8
457.11398	11.6
475.12689	1.4
487.12415	6.9
501.10385	15.2
502.10794	2.0
649.17749	22.8
650.18024	2.8
693.16449	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	693.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00733	1.1
56.36630	0.8
59.01236	1.0
61.57459	0.9
61.95581	0.9
66.41898	0.9
67.01742	1.1
70.34704	2.1
70.35062	2.6
71.01247	2.4
85.02818	9.5
87.00746	3.6
93.03324	7.6
96.95882	6.2
108.02028	1.8
109.02826	29.4
111.04359	1.5
119.04870	1.2
121.02816	1.8
127.03921	2.1
128.72536	1.1
131.04924	1.2
133.02818	2.2
135.04407	6.1
145.02855	7.2
146.03606	1.4
147.04387	9.0
157.02861	7.2
158.03612	1.5
159.04417	11.7
161.02335	3.1
163.03880	1.4
173.02318	5.4
173.04453	2.4
174.03056	1.3
175.03947	5.5
177.01799	1.2
179.03404	1.6
185.02386	8.6
186.03194	1.0
187.03909	1.3
191.05530	60.9
192.05878	1.2
201.02040	1.5
211.07436	1.5
221.05945	2.2
223.07541	1.2
224.04643	1.2
229.01361	61.6
230.01836	5.0
237.05478	2.4
238.06288	1.6
239.07086	4.1
240.04257	1.7
248.04723	1.9
249.05528	7.9
250.06253	3.6
251.06918	1.7
253.04976	2.2
265.05051	3.4
266.05838	6.3
267.06601	32.5
267.64413	1.0
267.67651	0.9
268.07077	1.7
269.08237	6.2
277.05017	16.0
278.05673	3.8
280.03473	1.3
280.18329	0.9
288.95892	1.0
293.04510	10.2
294.05301	5.7
295.06082	40.5
296.06390	3.7
313.07230	1.4
321.03931	1.0
338.04196	1.8
339.05057	100.0
340.05286	8.0
407.56525	1.0
429.11725	1.4
457.11069	1.3
487.12375	2.9
498.18472	1.1
501.10349	96.0
502.10678	10.3
531.11420	3.6
581.98944	1.0
649.17615	6.6
693.16681	19.0
694.16718	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	691.3577
Annotation	Cherimolacyclopeptide C
Peak:m/z	Relative Intensity
51.45286	1.1
55.01746	1.1
57.03321	5.8
59.01230	3.5
65.05853	1.0
70.12715	4.0
71.01241	6.2
72.99174	3.3
75.00742	29.2
78.95358	0.7
78.95769	5.4
83.01246	1.5
85.02341	1.7
85.02822	30.0
86.03147	1.0
87.00749	2.2
95.01231	2.5
96.95876	1.5
98.19760	0.8
99.00719	2.4
104.11046	0.9
109.89992	0.9
113.02328	17.9
115.00133	1.0
116.01030	2.7
133.58125	0.8
152.99489	1.0
157.01314	2.6
162.97523	0.9
175.02303	1.4
208.66006	1.0
211.00276	0.9
385.94730	0.9
432.63293	0.9
454.14047	0.9
464.79779	0.9
474.49124	1.0
535.36707	1.0
552.07220	2.1
633.40027	20.1
634.40308	4.4
691.35876	100.0
692.36224	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03293	0.6
58.00465	0.6
59.01249	15.5
60.01599	0.4
69.03320	1.1
69.91297	0.9
69.91711	1.1
69.94341	0.3
71.01248	13.7
72.99170	1.4
73.02832	1.7
78.95777	0.8
79.12216	0.4
81.03338	0.5
83.01254	1.1
85.02821	3.0
87.00743	3.3
89.02316	11.6
94.60680	0.4
94.71944	0.4
95.01234	0.7
96.95875	1.2
97.02825	1.6
99.00750	0.5
101.02322	9.8
110.46475	0.3
111.04382	0.4
111.08047	0.3
113.02326	5.2
113.09580	0.4
119.03391	2.5
125.02328	3.1
131.03358	0.8
143.03371	2.1
143.62518	0.4
149.04382	0.4
161.04478	1.8
167.10628	0.4
170.08575	0.4
179.05545	3.1
179.14357	0.5
195.13829	7.0
196.14333	0.5
197.58795	0.3
200.40070	0.4
205.12366	0.8
209.11777	0.7
211.13339	0.5
217.00253	0.4
221.06662	0.9
223.13341	5.7
224.13615	0.5
228.13556	0.9
231.21133	0.5
235.08165	3.7
236.50548	0.4
253.09210	1.2
256.13174	1.0
263.07651	0.8
275.20139	4.5
287.07745	0.7
291.19595	0.6
293.21213	100.0
294.21521	8.3
296.14340	0.4
305.08768	1.2
323.09665	0.5
347.73141	0.4
397.13467	22.5
398.13867	1.6
399.13776	0.4
415.14539	24.9
416.14859	1.9
546.64368	0.4
654.26917	0.5
691.36926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.3
57.03309	1.2
58.00456	1.5
58.59878	0.6
59.01246	48.1
62.56379	0.7
69.03313	2.0
71.01247	38.7
72.99184	4.1
73.02808	6.1
75.00760	1.0
78.95758	0.9
81.03316	1.6
83.01254	3.9
83.23577	0.6
85.02819	8.0
85.99966	0.8
87.00742	8.8
89.02309	32.0
95.01247	3.3
96.95894	3.8
97.02809	6.6
98.20652	1.3
99.00732	3.8
101.02312	30.2
111.04400	1.1
112.98666	0.9
113.02322	16.4
119.03371	10.0
121.02843	0.7
121.10118	17.1
123.07892	0.6
125.02322	13.0
125.09596	0.7
127.11176	0.9
131.03377	2.0
133.04967	0.7
133.44704	0.6
138.11961	0.6
139.03885	1.5
141.01801	0.9
143.03360	6.1
149.04495	1.3
152.99446	1.4
161.04453	9.7
167.86095	0.6
169.04907	0.7
171.10167	54.8
172.10519	1.9
179.03969	1.0
179.05486	7.7
185.04597	0.6
185.11748	1.6
199.05946	0.7
211.08548	0.7
217.07213	1.1
221.06567	3.1
231.21138	2.1
235.08192	13.6
235.16960	1.5
237.54251	0.7
245.06604	1.0
253.09300	3.2
263.07742	1.7
275.20132	58.9
276.20511	4.4
277.21756	0.9
287.07562	3.2
293.21201	98.4
294.21490	6.9
305.08652	4.0
323.09729	2.4
341.37711	0.6
397.13461	100.0
398.13852	7.1
415.14526	54.9
416.14951	3.5
569.24243	0.7
631.38324	1.1
691.41522	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	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06669	0.3
55.01737	0.5
57.03314	0.6
58.00460	0.6
58.37650	0.3
58.97966	0.2
59.01250	16.8
69.03305	0.9
70.23534	0.3
71.01250	14.0
71.64584	0.3
71.80077	0.3
72.99175	0.8
73.02816	1.7
78.95787	0.7
79.95587	0.3
81.03345	0.4
81.21863	0.2
83.01258	1.1
85.02821	2.5
85.19389	0.3
87.00755	3.2
89.02316	11.5
90.02654	0.3
92.92300	0.3
95.01255	1.0
96.95887	9.9
97.02823	1.9
99.00729	1.0
101.02319	9.8
113.02328	4.5
119.03392	2.8
121.02841	0.3
125.02330	2.9
131.03406	0.5
139.03940	0.4
141.01875	0.3
143.03400	1.6
149.04408	0.4
152.99469	0.3
161.04419	2.1
167.03308	0.3
179.05524	2.7
179.14378	0.7
183.10149	1.3
195.13826	7.5
196.14424	0.7
201.60904	0.3
205.12263	0.7
205.15910	0.5
211.13351	0.8
221.06631	0.8
223.13335	5.7
228.13544	0.4
231.21184	0.6
235.08215	3.2
253.09341	1.0
256.13162	0.9
263.07639	0.4
265.21649	0.5
275.20126	4.2
276.20276	0.4
287.07672	0.4
293.21207	100.0
294.21548	8.1
305.08624	1.3
323.09738	0.4
340.55331	0.3
397.13495	21.7
398.14081	1.5
415.14536	23.7
416.14883	1.6
447.16925	0.4
465.73038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57043	2.2
57.03334	6.3
59.01247	6.9
61.98692	2.7
66.33652	2.2
70.80910	7.7
70.81266	3.1
71.01237	6.4
71.66433	2.6
75.00747	29.3
75.09653	2.1
78.63774	2.4
78.95790	13.4
80.22820	2.4
85.02809	27.8
93.43522	2.2
95.01273	2.7
96.95868	5.4
112.07521	3.0
113.02329	21.0
116.01070	4.6
126.49019	2.7
142.44148	2.4
142.72871	2.7
147.54434	2.4
152.99461	5.4
191.05431	2.5
202.90747	2.6
209.11734	3.2
372.95975	2.9
391.29843	3.1
631.38586	25.2
689.34393	100.0
690.34845	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03324	1.0
58.00460	1.3
59.01249	33.2
61.98690	0.5
69.03325	1.6
70.72357	0.9
71.01251	27.8
71.04884	1.6
72.99173	2.0
73.02811	4.2
75.00736	0.6
76.32016	0.5
78.95782	1.2
81.03327	0.6
83.01266	3.0
83.04917	0.9
85.02824	5.6
87.00739	6.3
89.02315	22.4
95.01249	2.0
96.95878	3.3
97.02819	4.8
99.00752	1.3
101.02319	20.7
101.02995	0.7
101.04264	0.4
101.66620	0.5
102.96831	0.5
111.04392	0.8
113.02325	11.1
119.03382	5.8
121.02807	0.4
125.02343	7.1
125.11397	0.5
131.03389	1.0
133.04982	0.6
134.28279	0.5
135.04282	0.5
138.50348	0.5
139.03947	0.7
141.01799	0.8
143.03386	4.6
149.04445	1.0
151.28699	0.4
152.99460	0.7
161.04454	4.3
179.05521	4.7
183.57185	0.8
185.04402	0.5
191.18056	0.6
197.11757	0.6
209.15376	1.4
217.00241	0.6
221.06635	1.7
221.15442	1.0
231.21121	2.6
235.06088	0.7
235.08205	8.2
235.16988	39.0
236.17352	2.4
245.06645	0.8
253.09244	2.3
263.07596	0.7
275.20145	46.6
276.20578	2.8
277.21793	1.0
287.07620	2.2
293.21219	100.0
294.21536	8.0
305.08856	2.3
323.09644	1.5
379.12354	0.7
397.13474	63.5
398.13748	4.6
413.20908	0.7
415.14578	38.0
416.14816	3.2
463.06509	0.5
463.29849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82475	0.2
55.01748	0.5
56.78039	0.2
57.03307	0.2
59.01248	1.4
69.03321	0.2
71.01247	0.8
71.58073	0.2
71.58478	0.2
73.02812	31.5
74.03162	0.4
78.95762	0.3
79.05392	0.3
79.95599	0.4
80.96423	0.3
83.01251	0.3
87.00747	0.4
96.95882	7.2
98.95459	0.3
101.02345	0.4
109.06467	0.2
113.02304	0.2
117.01848	0.2
125.02315	0.3
139.07538	1.1
145.10127	0.4
150.92355	0.2
151.00259	0.5
171.08107	0.2
175.14717	0.2
183.06534	0.3
199.97427	0.2
201.12831	0.9
216.99742	0.3
217.12285	0.5
219.13837	20.3
220.14111	1.0
245.11755	1.2
255.06844	0.3
263.12842	100.0
264.13177	6.5
269.04465	0.2
274.48962	0.2
337.03879	0.3
355.04755	0.6
363.08859	0.2
381.09750	1.0
382.10126	0.2
475.98111	0.2
529.26245	0.2
647.24084	0.2
669.50299	0.2
689.21021	1.2
690.21552	0.3
717.46924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54027	1.1
51.72491	1.0
57.03325	2.6
59.01247	22.2
61.98681	1.1
62.76430	1.1
69.03328	1.2
69.55499	6.3
71.01244	15.7
72.99199	1.4
73.02811	3.3
83.01249	1.5
83.04879	1.2
85.02835	3.8
87.00751	4.0
89.02314	15.5
95.01254	1.3
96.95876	3.3
97.02787	2.3
98.20584	1.9
99.00723	2.2
101.02306	14.1
109.46072	1.2
111.08021	2.7
113.02325	6.0
119.03374	5.3
121.10131	6.1
125.02296	2.5
125.09574	3.7
143.03439	2.8
161.04449	2.3
171.10223	1.9
178.65337	1.2
179.05510	4.0
185.11772	8.6
195.13869	2.5
197.11784	2.8
209.11755	3.0
235.08185	4.7
247.20518	1.9
291.19638	100.0
292.19968	6.4
305.08795	1.3
326.39154	1.1
347.69556	1.1
364.22366	1.2
397.13477	37.2
398.13855	2.4
411.81879	1.1
415.14526	24.3
429.16455	1.3
689.33569	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
57.77383	1.6
58.00448	1.9
59.01247	100.0
60.65503	1.4
61.98701	1.5
68.97290	1.4
69.47101	3.1
69.47496	11.2
71.01251	51.8
72.99168	2.6
73.02808	13.9
78.95743	1.8
79.95602	2.0
83.01260	5.2
85.02828	14.4
87.00745	9.3
89.02312	39.8
95.01254	5.1
96.95878	14.4
101.02314	30.0
110.08439	1.4
112.98682	2.6
113.01523	1.8
113.02322	37.0
119.03399	17.5
119.04762	1.4
120.20634	1.3
125.02321	2.1
130.71371	1.5
131.03407	2.5
135.04414	1.7
143.03406	6.7
149.04485	3.1
151.19231	1.5
161.04480	11.9
179.05508	13.6
179.87672	1.5
209.11696	2.1
209.94106	1.7
219.02711	1.4
295.34576	1.6
443.24509	1.5
525.34296	1.8
583.31403	19.8
584.31708	3.2
601.32330	24.6
602.32391	4.9
643.33502	2.9
669.30054	1.7
687.40277	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	689.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.03317	1.8
69.33987	1.3
69.51224	6.3
69.51641	5.4
71.01252	29.1
72.72456	1.4
72.99211	1.6
73.02819	7.0
78.95761	2.0
79.95597	2.5
83.01260	4.7
85.02829	12.7
87.00751	4.9
87.03351	1.6
89.02311	6.3
95.01276	2.8
96.95891	28.1
97.02827	2.6
98.19810	3.3
99.00766	3.4
101.02328	13.6
113.02345	17.5
119.03383	2.4
124.01543	3.5
125.02355	9.3
135.04430	1.6
135.98230	2.8
143.03384	4.9
153.50975	1.3
159.02928	2.0
161.04424	4.9
171.10147	2.2
180.11220	1.7
191.05569	5.1
209.11771	6.4
225.11285	3.9
303.68402	1.6
310.07141	1.9
327.97049	1.7
343.08536	7.6
381.22827	2.6
395.08383	1.7
399.24005	2.2
489.24701	2.5
507.26224	2.1
525.27057	16.9
527.22675	3.4
543.28113	49.7
544.28394	6.1
561.29187	17.1
562.29999	2.5
585.29211	10.3
586.29877	2.9
603.30377	11.9
645.31342	2.1
689.34100	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	687.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
71.01253	0.3
76.37965	0.2
85.02842	0.3
96.95898	1.2
120.99548	100.0
121.99936	1.2
124.58417	0.2
126.58587	0.2
136.01527	0.2
145.02863	0.8
147.04468	0.2
164.33670	0.2
166.00807	0.2
167.61775	0.2
178.00894	0.5
181.03224	0.3
191.05634	0.4
193.03374	0.3
211.04269	1.1
225.48625	0.2
240.14482	0.2
276.91724	0.2
299.05927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17434	0.2
57.03321	0.6
59.01249	0.5
59.75211	0.2
60.30524	0.2
65.00198	0.7
69.03340	0.5
70.97182	0.5
71.04889	0.4
78.95775	0.5
81.03326	5.2
83.01264	0.8
85.02798	0.3
85.06474	0.3
87.00764	0.3
87.04388	0.5
93.03336	0.3
96.95909	0.5
97.02826	0.2
104.31192	0.2
107.01266	0.5
107.04931	0.3
109.02859	0.4
109.06480	2.2
111.04387	3.5
122.03633	1.5
123.08047	3.3
125.02327	5.3
127.07547	0.5
133.06436	0.3
135.04395	0.2
145.02820	0.2
149.02362	0.5
151.00261	1.4
151.07547	27.4
152.07889	1.0
153.05473	0.4
154.09607	0.2
161.02354	0.3
161.09680	0.2
177.05511	1.1
191.05505	2.2
191.07108	2.5
195.06549	100.0
196.06897	4.9
201.02441	0.2
205.08635	2.3
209.11713	0.4
219.06535	0.3
221.08090	0.3
229.01628	0.3
237.07654	0.5
265.07578	0.2
268.07251	0.2
285.18527	0.3
329.17554	23.8
330.17792	2.4
347.18759	0.5
357.11942	2.6
358.11847	0.3
477.15598	0.2
651.39838	0.2
687.30627	1.2
688.31055	0.4
709.07001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.8
60.73296	0.3
71.01269	2.0
71.57882	0.5
74.98975	0.3
78.95786	0.6
81.03378	0.4
81.06467	0.3
83.04916	0.4
85.02830	0.6
87.00748	100.0
88.01086	1.4
89.02309	0.6
93.03357	0.4
95.04928	0.4
96.95886	6.6
97.69384	0.4
101.02332	0.9
113.02338	0.6
118.97956	1.7
135.04419	0.7
150.06760	0.8
157.06551	0.4
172.05235	1.7
173.09628	27.0
174.09966	1.1
183.08083	1.8
184.08673	0.4
191.05493	1.1
199.11232	5.2
201.96574	0.3
217.12302	0.5
239.05719	0.4
243.10249	9.0
244.10580	0.4
261.11304	20.5
262.11670	1.6
391.26843	0.5
419.28278	0.4
435.25293	0.9
474.85727	0.4
479.24591	1.2
505.31470	0.4
523.23334	5.0
533.79907	0.5
599.35168	0.5
685.38373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.8
60.73296	0.3
71.01269	2.0
71.57882	0.5
74.98975	0.3
78.95786	0.6
81.03378	0.4
81.06467	0.3
83.04916	0.4
85.02830	0.6
87.00748	100.0
88.01086	1.4
89.02309	0.6
93.03357	0.4
95.04928	0.4
96.95886	6.6
97.69384	0.4
101.02332	0.9
113.02338	0.6
118.97956	1.7
135.04419	0.7
150.06760	0.8
157.06551	0.4
172.05235	1.7
173.09628	27.0
174.09966	1.1
183.08083	1.8
184.08673	0.4
191.05493	1.1
199.11232	5.2
201.96574	0.3
217.12302	0.5
239.05719	0.4
243.10249	9.0
244.10580	0.4
261.11304	20.5
262.11670	1.6
391.26843	0.5
419.28278	0.4
435.25293	0.9
474.85727	0.4
479.24591	1.2
505.31470	0.4
523.23334	5.0
533.79907	0.5
599.35168	0.5
685.38373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15135	0.4
57.03304	1.8
59.01243	3.4
61.76677	0.5
61.98714	0.5
71.01245	2.1
71.05564	1.0
72.99178	0.6
73.02810	0.7
78.99754	0.4
83.01270	0.4
83.04879	0.7
85.02819	0.9
87.00751	7.7
88.48834	0.4
89.02331	0.9
96.95889	2.8
97.06429	0.5
99.04371	0.5
101.02322	0.7
112.98693	1.2
113.02351	0.6
113.06015	0.4
119.03399	0.4
119.04893	0.5
123.08043	0.7
127.11166	0.5
135.04378	0.9
135.08058	2.2
137.05948	0.5
137.09544	1.3
142.34058	0.4
149.05971	1.8
149.09636	0.6
150.06767	39.8
151.07242	0.9
161.09677	0.9
162.06718	0.4
163.07571	6.2
164.08351	7.1
165.08884	0.5
171.10165	1.1
173.09628	0.9
175.11185	1.5
176.08310	0.8
177.09090	0.5
178.09947	2.3
179.03380	0.4
179.10689	19.5
180.10957	0.7
193.08722	0.5
199.11053	0.5
201.11105	0.7
201.12808	0.5
215.10744	1.0
217.12296	1.2
219.13776	0.5
255.23228	0.7
257.13763	0.6
288.17365	0.6
306.18265	1.3
320.19830	0.6
321.20676	1.2
341.23227	1.4
343.21243	4.6
350.21069	0.5
444.28204	0.5
459.31140	1.0
462.29861	3.2
476.31464	0.5
477.32239	9.0
478.32181	0.8
479.24249	3.6
504.30826	1.5
505.31638	2.6
522.31677	2.4
523.23438	7.9
523.32709	29.2
524.23920	1.2
524.33075	3.9
568.69385	0.5
685.38025	100.0
686.38409	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67502	0.4
51.99079	0.5
55.01747	0.5
57.03324	5.5
59.01252	5.5
61.27742	0.5
68.08350	0.4
68.70435	0.5
69.03326	1.0
70.38171	2.0
71.01253	5.0
73.02823	1.6
78.95747	1.0
80.02557	0.6
83.04880	1.3
85.02819	1.9
87.00740	2.7
89.02335	1.6
95.04910	1.8
97.06461	16.8
98.06801	0.6
101.02304	5.5
112.98710	0.6
113.02325	2.6
119.03381	0.5
123.08046	9.6
125.09609	97.9
126.09950	4.2
143.10677	0.9
145.04967	1.5
161.04420	1.2
169.08598	2.3
187.09671	41.4
188.10072	1.5
233.85446	0.5
235.08199	3.8
253.09296	3.1
255.23199	0.8
261.13327	0.8
277.21701	54.5
278.22046	3.9
279.23257	1.3
362.60834	0.5
405.17682	6.2
423.18707	6.2
521.34949	0.7
576.26343	0.6
665.38391	0.6
683.40033	100.0
684.40430	18.5
684.49518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19764	0.4
59.01239	0.6
59.32790	0.5
69.45322	4.5
71.01254	0.5
71.28815	0.5
73.02814	0.7
83.04899	5.9
95.04922	1.3
97.02825	2.2
101.78144	0.6
107.04902	0.8
111.04397	32.1
117.06966	0.9
119.08530	0.6
121.06461	1.0
122.03583	1.2
123.04400	1.2
130.79984	0.4
135.08044	1.3
142.03592	0.6
143.08543	1.0
145.10104	1.1
147.08044	1.6
148.05222	1.3
149.05972	0.9
151.07556	3.2
157.10167	1.4
161.09668	0.8
162.78601	0.5
163.07542	7.5
163.78867	0.6
171.11697	1.7
173.06052	0.6
173.13261	19.1
173.44296	0.6
174.13579	0.8
175.07565	10.4
175.11180	1.7
184.08745	0.5
187.11209	1.0
189.09131	1.8
189.12750	2.6
199.11192	6.3
202.09850	1.0
211.14438	0.6
215.10690	0.7
217.12271	100.0
218.12604	5.2
243.10315	1.4
261.11282	97.7
262.11618	6.5
330.99326	0.5
342.92529	0.5
418.85812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57829	0.4
57.03327	4.7
59.01255	6.9
61.07365	0.5
69.03349	0.8
71.01254	5.9
71.56805	0.5
71.57156	0.6
78.95772	0.5
80.02565	0.6
83.01257	0.6
83.04918	0.9
83.43101	0.5
85.02826	1.3
87.00748	0.4
89.02312	4.8
89.12088	0.4
90.27657	0.5
95.01226	0.4
95.04897	1.6
97.06467	14.2
101.02317	3.3
113.02322	1.9
119.03390	1.0
123.08053	7.7
125.09611	100.0
126.09949	3.7
143.10669	1.4
160.09628	0.5
161.04410	0.7
166.17509	0.5
169.08635	2.6
179.05577	0.8
187.09679	75.1
188.10016	3.4
211.09720	0.5
253.09346	2.1
255.23375	0.6
261.13391	1.4
277.21725	15.0
278.22052	1.7
318.80368	0.5
405.17685	6.9
423.18692	20.3
424.18994	1.6
560.79718	0.5
563.53369	0.5
683.40076	94.7
684.40442	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	683.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.5
57.03297	1.4
58.00463	0.9
59.01248	14.6
69.58944	3.0
69.59356	1.3
71.01252	13.0
72.99168	1.7
73.02823	4.1
77.38146	0.6
83.01254	3.1
84.29770	0.6
85.02830	5.9
85.99988	1.0
87.00748	2.4
89.02316	4.6
89.71948	0.6
91.95914	0.6
93.03315	0.6
95.01250	1.3
96.95892	4.0
98.20516	1.2
99.00747	1.4
101.02319	11.0
109.02840	1.0
111.00765	1.2
113.02330	4.4
119.03368	0.8
121.02842	3.7
134.03654	0.7
145.02850	1.4
159.04413	1.5
179.06958	0.8
225.11267	0.8
240.04352	1.0
254.05760	1.0
255.06587	1.3
256.07346	0.8
265.08752	0.8
267.06650	1.5
268.07327	3.6
269.08243	4.0
270.08847	1.5
280.07452	0.8
281.08160	6.9
282.09009	3.4
283.09763	4.7
293.08234	2.0
294.09125	0.9
295.09607	2.8
296.10461	1.5
297.11389	1.4
299.09293	3.6
300.09973	1.0
309.11395	0.7
311.09247	3.3
312.10001	1.5
313.10776	0.8
314.07974	2.6
314.11624	6.8
315.12216	4.0
325.10834	1.0
326.11548	8.7
327.12302	6.3
329.13956	12.6
330.14355	1.0
331.59726	0.6
340.09650	0.8
341.13974	8.6
342.14420	1.1
343.11777	2.5
355.11948	4.1
356.12454	1.2
369.13208	1.0
385.15353	1.3
445.14822	0.9
461.14551	0.9
473.14536	2.5
476.16916	13.6
488.16708	5.1
491.19217	100.0
492.19608	11.4
503.19226	81.3
504.19684	9.9
521.20276	12.7
522.20441	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	681.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69785	0.6
57.03331	1.1
59.01257	2.2
61.98687	0.8
63.37984	0.5
69.03335	0.8
70.68449	1.5
71.01259	1.1
72.79695	0.4
72.99177	0.7
80.02556	0.7
83.04915	1.8
84.02026	1.3
84.99088	0.5
85.02816	1.4
87.00758	1.0
95.04885	1.0
96.95892	3.3
97.06480	0.7
99.08036	3.0
101.02331	0.6
112.98681	4.7
125.09633	2.0
127.11171	1.4
131.89075	0.5
133.02791	0.8
135.04443	1.3
137.09592	0.6
139.11150	1.2
141.04018	0.7
147.11720	0.5
149.00819	1.4
153.12752	1.2
163.11163	2.7
165.08882	0.8
165.12756	19.0
166.13091	0.9
167.14348	1.0
171.10164	4.1
179.03397	0.6
181.08629	0.5
183.13861	3.8
187.11014	0.7
191.06947	0.8
193.08385	10.2
193.12184	2.4
200.04622	0.5
201.09048	1.0
203.10500	1.4
205.12047	3.5
207.10022	1.1
209.07834	0.6
209.11783	1.5
211.13345	21.5
211.15363	1.0
212.13576	1.1
215.10469	1.3
219.09979	3.0
221.11539	10.9
221.13721	0.7
229.08710	0.9
229.14397	11.5
231.09979	10.6
232.10558	0.7
233.11551	98.3
234.11900	5.1
247.09503	1.6
249.11105	16.4
251.12518	22.9
252.11388	0.6
252.13266	0.6
260.95795	0.6
265.10364	0.6
291.08627	0.6
293.21259	0.6
329.23300	79.1
330.23685	6.7
351.21490	100.0
352.21838	7.5
421.52237	0.5
681.45184	9.9
682.44464	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03320	0.6
58.00462	2.1
58.38829	0.5
59.01250	39.2
62.15585	0.6
69.03322	2.4
71.01252	44.7
72.01586	0.8
72.66074	0.7
72.99181	2.6
73.02820	6.1
75.00736	1.2
78.95742	0.6
81.03312	1.7
83.01266	4.0
84.81171	0.6
85.02822	8.8
87.00758	10.3
89.02316	31.3
91.03883	0.6
95.01258	2.2
97.02834	6.4
98.98297	0.6
99.00755	2.4
101.02322	30.7
111.00803	0.6
111.04453	1.3
113.02331	16.2
114.85743	0.7
115.03882	0.9
119.03393	8.9
121.02885	1.0
125.02328	13.9
128.28482	0.6
131.03366	1.7
139.03899	0.8
143.03377	6.2
149.02545	0.6
149.04469	0.9
161.04454	6.9
167.03426	0.8
179.05539	7.1
203.05583	0.6
219.04842	0.6
221.06584	2.2
235.08195	15.1
245.06606	1.0
253.09340	3.3
259.08133	0.7
263.07669	1.6
277.09171	0.9
283.26422	100.0
284.26736	7.2
287.07809	3.1
291.57251	0.7
305.08643	4.6
323.09833	1.4
379.12454	1.0
394.85501	0.5
397.13486	92.0
398.13809	5.1
415.14542	32.7
416.14890	2.9
605.74677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40595	1.6
57.35352	1.3
59.01249	10.1
69.31680	14.0
71.01257	5.8
73.02827	3.7
79.95608	2.9
83.01263	2.6
85.02837	2.1
87.00761	1.8
89.02330	2.4
95.01252	12.2
96.95884	66.3
98.95486	3.2
99.00805	1.9
101.02318	3.3
109.02832	2.3
111.00768	2.7
112.98730	1.7
113.02348	3.2
121.02771	2.0
123.00764	13.3
124.01600	2.6
125.02331	4.0
127.00241	2.3
135.04420	2.3
137.02385	3.8
138.03107	4.6
139.00226	10.7
139.03911	5.1
143.56744	1.6
145.02823	2.5
147.04434	1.7
149.04469	1.4
151.00209	2.2
151.03889	1.6
152.01031	2.2
153.01828	4.6
153.05489	2.5
161.02338	2.3
162.03099	3.8
163.03922	4.2
164.04410	1.5
165.02084	1.8
166.02614	4.4
167.03418	1.9
174.03148	2.4
175.03946	3.3
177.01878	7.1
177.05502	4.4
178.02660	5.3
179.03305	1.6
181.04953	5.2
190.02687	2.2
191.03464	5.6
192.04181	6.0
193.04987	7.3
203.03430	5.4
204.04134	2.5
205.04956	2.9
206.05803	1.5
207.06573	7.4
218.05811	4.2
279.08893	1.6
337.03867	4.2
343.08279	4.1
345.09613	1.7
347.16910	2.0
355.08618	1.6
357.09924	2.0
358.10562	14.7
359.10986	1.7
373.08438	3.4
373.12866	36.7
374.13242	3.1
375.24344	1.8
389.18060	5.6
403.09543	3.0
403.14584	12.2
417.12000	3.3
418.12735	6.6
419.13568	2.6
433.14978	100.0
434.15298	7.1
622.18970	2.3
637.21338	62.4
638.21753	6.1
681.37909	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	681.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	2.2
59.01245	14.9
65.10428	1.7
70.51955	1.8
71.01258	16.8
78.91943	1.9
85.02826	12.0
87.00758	2.4
88.98673	3.4
89.02322	9.0
95.01263	2.9
96.95905	14.8
97.02796	1.9
98.19827	4.8
101.02320	8.6
101.25185	1.9
106.04133	10.5
107.04923	18.9
108.02054	5.2
109.73286	2.1
113.02329	20.6
119.03324	2.4
119.04923	2.3
121.02831	3.2
123.04404	7.2
125.02328	4.2
131.04887	2.8
133.02850	32.7
135.04375	3.1
138.03191	1.9
143.03412	7.3
145.02811	1.8
147.04413	8.2
151.03917	48.8
152.04218	2.2
161.02324	4.0
161.04510	4.4
161.05975	4.0
165.05493	32.1
175.03923	100.0
176.04364	2.9
179.03424	1.8
179.05513	10.3
191.05571	3.4
193.05017	36.3
193.06741	2.8
205.04991	11.0
217.05087	2.5
223.06113	22.8
235.06026	4.3
236.48766	1.8
253.07143	27.0
313.09290	6.2
355.05426	2.0
425.13837	2.1
542.08850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38084	0.3
59.01255	1.6
61.98677	0.3
69.49908	2.4
71.01234	0.6
82.58592	0.3
85.23250	0.3
90.97004	1.1
95.04984	0.3
96.95908	1.4
98.19778	0.3
112.98679	0.4
118.96531	0.6
132.98102	2.3
160.97554	0.4
171.10132	0.4
174.99149	6.8
181.12238	0.6
183.13823	6.1
186.99213	0.5
195.13870	1.6
201.04480	0.3
211.13344	0.5
213.14903	2.6
226.73819	0.3
229.03972	0.4
235.06433	0.5
241.03828	0.5
243.05597	0.9
253.07608	0.4
255.09100	1.9
257.10699	3.3
265.07504	0.9
267.09128	1.1
269.10751	1.3
271.08554	0.3
277.07486	0.5
283.08658	0.8
295.08701	1.5
297.10205	3.8
299.08423	0.3
299.11725	6.7
299.15146	0.5
301.09479	0.8
309.10089	0.7
311.08304	0.3
311.11819	0.7
313.09592	0.5
343.10876	0.7
353.16541	0.7
365.16315	0.7
367.18024	1.0
397.16830	0.4
399.18573	0.5
401.19968	0.9
407.21078	0.9
419.21210	1.0
421.22653	6.7
422.23267	0.6
423.24249	11.8
424.24677	1.5
433.22665	5.0
434.23059	0.6
435.24265	16.5
436.24356	1.9
445.22748	0.6
447.24261	7.0
448.24622	0.5
463.23926	4.6
465.25330	100.0
466.25696	9.8
466.31689	0.2
467.23239	3.7
468.23499	0.6
479.23297	1.8
509.24521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	2.4
59.01249	4.0
63.46917	0.7
63.67755	0.6
66.03368	1.0
67.02882	1.5
70.02839	0.7
71.01258	2.3
71.58528	0.7
71.58893	0.7
73.02805	0.7
73.03943	6.5
74.02354	1.6
75.00745	1.2
78.95775	3.4
79.05612	0.6
79.82969	0.6
79.95605	3.0
81.81250	0.7
82.02843	4.5
83.02393	2.2
84.04427	1.2
85.02829	3.0
87.00748	0.9
89.02309	0.8
96.95892	100.0
97.03972	0.9
97.95863	0.7
99.01869	2.1
99.05511	1.7
101.02318	1.1
101.07070	2.1
107.04965	0.8
109.03958	6.1
110.98714	0.7
111.05569	0.9
112.03954	1.0
113.02338	1.1
115.05030	1.5
116.04903	3.8
117.05191	0.6
118.06527	1.3
119.04910	1.9
121.02830	0.6
123.04389	0.8
123.05566	1.7
124.03945	4.6
127.05030	42.1
128.03435	11.6
128.05388	0.8
130.08633	26.9
131.04929	2.1
131.08952	1.1
133.02838	1.3
135.04431	1.2
137.03415	1.3
139.05046	2.3
140.08165	0.6
141.06609	5.5
141.10242	1.5
145.06100	2.4
147.04451	1.6
148.04245	0.8
149.07088	2.0
150.05446	1.4
151.03893	1.9
151.05028	1.5
164.07016	1.6
165.05441	1.3
166.06134	20.5
167.04544	3.0
167.08080	0.8
172.04277	5.7
175.03903	3.0
184.07193	12.4
184.10933	0.7
185.05579	3.5
185.07043	0.9
186.05573	6.5
187.05690	0.9
189.06929	4.4
190.05371	2.3
191.05528	3.3
193.04895	1.4
197.07439	1.4
197.12790	1.3
198.05843	1.3
203.08183	1.7
209.86345	0.8
216.13884	5.2
240.07959	2.3
241.06471	4.8
246.09010	1.2
247.07491	2.4
256.11237	1.7
257.09222	1.0
258.09198	4.9
260.12750	1.1
270.12430	2.4
275.10214	1.6
277.15509	5.4
315.11209	2.4
318.11362	6.7
319.09497	1.0
332.12457	1.4
334.17648	2.8
358.10480	0.9
360.15762	0.8
378.20255	2.1
388.18726	1.9
445.20963	17.7
446.21054	1.9
489.23627	7.5
490.23874	0.9
505.17487	2.5
545.37415	0.7
576.24982	1.6
579.32813	0.8
582.26050	0.9
618.26093	11.8
619.26007	1.9
620.20544	2.2
636.27051	41.8
637.27313	6.4
662.28674	4.4
663.28381	1.2
679.37408	1.5
680.29395	52.8
681.29877	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	679.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	21.6
71.01247	1.4
71.54494	2.4
73.02797	3.1
83.04888	3.6
96.95892	1.3
97.02845	1.1
99.04440	1.0
101.02314	1.3
111.04394	18.1
121.06480	0.9
135.08072	1.3
151.07503	1.3
159.08125	1.0
163.07523	4.6
171.11642	1.0
173.13271	8.3
175.07570	4.4
189.12859	1.3
191.14304	1.3
195.13832	3.8
199.11209	2.7
209.15317	1.5
213.14894	13.0
217.12268	58.7
218.12625	3.2
227.16463	7.9
237.14810	3.4
255.16069	7.5
261.11279	100.0
262.11633	6.2
293.37750	1.0
630.17609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26376	1.1
57.03316	2.2
58.00477	1.3
59.01248	65.7
59.48508	1.0
71.01247	15.1
73.02812	8.4
80.12818	1.0
83.01258	4.1
85.02814	2.3
87.00757	2.4
89.02302	9.6
96.95885	21.2
98.95478	2.0
99.04382	2.8
99.96281	1.1
101.02322	12.3
113.02322	7.0
119.03394	4.2
143.03398	2.5
145.23680	1.3
149.04440	1.4
151.71321	1.0
161.04491	2.5
165.12769	4.3
179.03395	1.2
179.05498	2.6
189.12825	2.9
207.13818	13.1
208.14308	1.1
209.11736	11.3
225.14934	4.6
231.13818	2.1
233.11777	2.7
251.12851	9.5
269.13907	100.0
270.14261	7.7
275.12714	2.0
293.13870	2.7
297.26666	1.1
311.15009	3.5
337.03625	1.3
431.19217	6.4
473.20120	34.5
474.20724	4.7
479.77652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76621	0.7
52.23887	0.7
55.01745	0.7
57.03310	2.4
59.01245	44.4
67.18325	0.7
69.03330	1.2
69.79814	4.9
71.01247	8.0
72.99181	0.9
73.02814	5.2
79.95601	2.2
80.96387	0.8
83.01248	2.9
83.04900	1.6
85.02818	3.0
87.00754	3.3
87.98991	0.7
89.02322	4.3
95.01263	1.3
96.95879	36.4
98.95483	1.0
101.02309	6.5
111.04358	0.9
113.02316	4.9
119.03387	1.5
123.04328	0.9
125.02287	1.0
131.03320	1.0
133.02844	1.2
133.39919	0.9
137.02420	0.8
140.13373	0.8
143.03323	1.0
155.68039	0.8
159.00415	0.8
161.04413	1.0
163.14879	1.1
165.12758	13.3
166.13051	1.0
177.01830	0.9
179.05554	1.0
181.12332	1.8
189.12671	1.3
191.10590	0.8
193.04842	0.7
207.13828	9.6
208.13916	0.9
209.09857	1.5
209.11751	22.8
216.99843	2.4
217.12177	1.0
225.14922	5.5
251.12917	4.7
268.57343	0.9
269.13913	100.0
270.14221	6.6
275.12958	1.2
293.13849	1.2
311.14957	5.0
337.03909	5.1
355.04880	1.9
371.17239	1.0
413.18292	1.4
431.19171	6.4
473.20218	39.3
474.20151	3.9
499.76291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	0.2
59.01245	0.4
61.63609	0.1
65.51406	0.1
71.01251	0.2
76.41646	0.2
81.03329	6.5
83.04893	18.5
84.04403	0.2
84.05235	0.3
84.60719	0.2
92.09140	0.2
96.95888	1.6
100.07536	0.4
107.06022	0.3
108.04420	0.5
117.14919	0.1
125.07084	1.2
126.05480	0.5
127.44527	0.1
143.08182	0.6
156.11853	0.1
181.16982	0.2
207.15002	1.1
208.13414	0.2
210.49588	0.1
224.15445	0.1
224.17636	3.1
225.16028	12.4
226.16386	0.8
242.18669	1.1
268.16595	0.3
290.22418	0.2
308.23361	0.2
309.21671	0.8
324.26529	0.7
333.23047	1.1
341.29074	1.4
342.29330	0.2
346.09238	0.2
351.23822	0.4
367.27069	1.1
374.45984	0.2
385.28342	0.4
407.33969	0.5
433.31757	1.6
434.32321	0.2
450.34338	1.5
451.32874	6.2
452.33136	0.7
476.32370	0.2
550.43134	0.7
559.39618	0.4
565.44214	0.3
567.45721	0.2
593.43945	1.0
659.48309	1.4
660.49542	0.3
677.49658	100.0
678.49994	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	677.4269
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
59.01250	32.4
68.22272	0.4
70.03761	1.6
70.27465	0.4
71.01247	1.0
78.95762	3.3
79.95573	0.7
80.96383	3.5
81.10484	0.5
85.02817	0.7
96.96810	0.6
99.92470	1.1
101.02319	1.7
112.98628	0.6
113.02322	1.1
115.91947	1.4
116.92731	2.2
149.00774	0.8
152.99471	3.5
161.04530	0.6
164.89551	0.6
179.03423	0.6
225.00702	0.9
232.05798	0.6
241.01091	0.8
277.21664	0.7
279.23337	2.5
315.04712	0.7
407.32977	0.5
455.35275	100.0
456.35620	13.4
577.26941	2.2
579.26990	1.5
595.28906	4.3
596.29163	0.7
677.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	56.9
61.98739	1.3
70.58694	1.2
71.58220	1.6
73.02792	1.3
78.94628	1.1
78.95793	1.5
81.03327	7.0
83.04894	13.3
96.95885	2.9
135.04384	1.2
191.05664	2.2
209.11693	1.6
225.16061	3.7
249.11082	1.8
274.07291	1.2
329.23105	1.6
351.21573	1.4
391.29767	5.0
533.40417	2.0
599.45270	1.4
617.46472	100.0
618.47009	15.2
626.26123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01241	0.9
61.98705	0.4
71.01252	0.4
71.04897	1.1
74.33277	0.3
78.95766	0.5
80.02563	1.8
81.03320	0.7
83.04903	1.4
84.02026	3.8
85.02843	0.8
87.68488	0.4
89.02351	0.3
90.14457	0.3
93.03328	0.4
95.04923	0.5
96.95896	1.8
97.02829	0.4
98.38904	0.4
104.24319	0.4
107.01027	0.3
109.06515	0.4
113.02335	0.4
113.41422	0.4
121.02576	0.6
125.09659	0.6
127.13214	0.4
129.09145	1.6
141.09122	1.5
153.12735	1.7
155.42876	0.4
162.10335	0.5
163.11162	2.3
165.12737	0.7
171.10152	0.5
172.16464	0.4
176.81682	0.4
177.08981	0.5
179.10724	0.9
181.08327	0.5
181.12291	1.2
185.11743	3.1
191.05409	0.7
191.10504	0.4
193.08406	0.6
193.12061	1.4
197.11810	2.5
201.08934	0.6
203.10440	1.8
204.00327	0.3
205.12074	1.3
207.10074	1.2
209.07776	0.5
209.11751	18.1
210.12120	1.1
217.08409	0.5
219.09975	2.9
220.12778	0.4
221.11620	5.5
223.11926	0.8
227.12788	3.6
231.09976	22.6
232.10426	1.4
235.09541	0.9
237.11183	0.5
247.09499	2.6
249.11095	100.0
250.11577	5.0
265.10556	0.8
291.19797	0.8
309.20844	1.2
327.21738	18.2
328.22278	1.1
331.18671	0.6
349.19760	1.5
366.05154	0.4
477.23325	2.8
677.42053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73081	0.4
57.03313	1.0
59.01245	1.7
69.03330	0.8
69.81622	2.0
71.01232	1.7
71.04887	0.5
79.95598	1.0
80.02547	0.5
83.01240	0.4
83.04882	1.4
84.02042	1.1
85.02805	2.3
87.52157	0.4
93.03316	0.8
95.04903	1.2
96.95885	7.4
97.02821	1.6
97.06475	2.8
105.37289	0.3
110.03593	0.6
125.09618	0.8
127.07523	0.9
127.11169	0.9
136.31488	0.3
137.09586	2.0
139.11147	0.6
141.09084	0.9
147.11650	0.5
149.09729	0.4
153.12735	1.1
155.10721	0.7
155.14339	0.4
162.10374	0.5
163.11195	1.4
165.08926	1.0
165.12755	13.6
167.10689	0.8
167.14310	0.9
171.10179	4.8
175.11192	0.6
177.12813	0.7
179.10606	1.2
181.12175	0.6
183.13805	2.4
185.11703	0.8
191.06821	0.8
191.10608	0.6
193.08365	7.9
193.12123	2.1
196.12958	0.3
197.11792	0.8
203.10501	1.3
205.11981	2.2
207.09959	12.3
208.10318	0.8
209.07921	0.7
209.11775	1.3
211.13322	12.1
212.13614	0.8
213.08960	0.8
215.10490	0.9
219.10001	4.1
221.11568	8.5
223.09425	0.9
223.11646	0.5
225.13554	0.4
229.08568	0.5
229.14381	8.1
230.14790	0.5
231.10005	8.3
232.10539	0.6
233.11536	64.9
234.11855	4.0
235.09503	1.0
237.11137	0.4
239.12912	2.0
243.09998	1.7
246.08539	0.3
247.09439	1.3
247.20653	0.4
248.10236	2.0
249.11140	9.9
250.11456	0.5
251.12541	11.6
252.11411	0.6
261.11093	13.2
262.11472	0.8
265.10495	0.6
267.60254	0.3
278.11417	0.4
279.10999	0.8
291.19550	1.9
309.20334	0.4
313.17831	4.6
327.21735	64.7
328.22037	5.0
331.18854	7.8
349.19916	100.0
350.20258	7.0
375.18097	0.5
410.79019	0.4
430.45309	0.5
487.12817	2.1
643.66150	0.4
659.33038	0.6
677.31244	0.6
677.41876	7.8
678.18469	1.6
678.41852	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	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03324	1.1
58.00467	2.2
59.01252	43.5
60.01579	0.4
67.01752	0.3
68.99687	0.6
69.03328	2.3
71.01254	36.1
72.01581	0.3
72.99183	3.0
73.02821	6.5
75.00761	0.9
78.95778	2.5
81.03343	1.7
83.01260	4.2
83.04924	0.3
85.02824	7.8
85.99966	0.3
87.00755	9.4
87.04392	0.6
87.33704	0.2
89.02319	29.7
90.02699	0.5
91.03894	0.6
93.03349	0.4
95.01266	2.7
96.96822	0.3
97.02833	6.6
99.00761	2.1
99.04385	0.5
101.02324	29.7
102.02676	0.4
103.00207	0.2
103.03896	0.4
103.29106	0.2
109.02835	0.6
111.00755	0.6
111.04405	1.4
112.01590	0.3
113.02332	14.8
114.02698	0.3
115.03890	0.7
119.03388	10.0
121.02862	0.7
123.04439	0.3
124.01575	0.6
125.02336	12.0
126.02614	0.2
127.03900	0.5
131.03400	1.6
133.04958	1.2
137.02365	0.3
139.03915	1.0
140.42496	0.2
141.01837	0.6
143.03398	5.6
149.04471	1.0
149.75618	0.2
152.99484	2.3
157.05026	0.3
161.04456	7.3
167.03375	0.8
169.04991	0.5
179.05533	6.4
182.49089	0.2
185.04480	0.9
199.06097	0.3
203.05508	0.5
217.07153	1.0
219.05008	0.5
221.06595	2.0
229.95753	0.3
235.08189	13.9
236.08482	0.3
241.01129	0.5
245.06657	1.0
253.09265	3.4
261.22226	0.5
263.07715	1.6
277.09286	0.8
279.23288	100.0
280.23615	7.7
280.98981	0.3
287.07721	3.4
293.24869	0.5
305.08746	3.6
315.04767	0.3
320.90720	0.2
323.09879	1.9
361.11398	0.5
379.12418	1.0
397.13498	72.5
398.13800	5.2
415.14572	31.7
415.20538	0.4
416.14899	2.1
429.46695	0.3
440.53046	0.3
595.28961	2.5
596.28912	0.4
600.48505	0.3
653.87836	0.3
677.37366	0.3
700.49457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13367	0.3
55.01749	1.3
57.03317	1.6
57.33860	0.4
58.00450	1.6
59.01249	40.3
60.01587	0.4
68.99660	0.7
69.03312	1.9
69.52301	3.0
71.01251	36.5
72.99176	3.1
73.02820	6.3
75.00731	0.9
78.95759	2.0
81.03316	1.0
83.01248	4.7
85.02822	7.7
85.99975	0.5
87.00755	8.2
89.02316	28.3
90.02665	0.5
91.03861	0.6
95.01260	3.1
97.02823	5.7
98.20691	0.4
99.00737	2.2
101.02319	28.3
102.02639	0.4
103.00318	0.4
109.02843	0.5
111.00760	0.6
111.04394	1.2
113.02328	14.5
115.03857	0.4
119.03385	8.9
119.04848	0.4
121.02836	0.9
123.00774	0.3
123.93432	0.4
125.02335	10.9
127.03833	0.5
131.03392	1.7
133.04929	0.8
139.03882	0.7
141.01736	0.4
143.03384	5.2
146.29630	0.4
149.04462	0.6
152.99507	2.0
161.04465	6.2
167.03346	0.4
179.03413	0.4
179.03964	0.5
179.05524	5.8
185.04475	0.4
209.04497	0.4
217.07159	0.7
219.05031	0.5
221.06602	1.6
222.06900	0.5
235.08200	11.8
239.95018	0.4
241.01115	0.5
245.06592	1.0
253.09323	2.7
263.07654	1.3
268.33246	0.4
277.09131	0.9
277.21713	1.3
279.23276	100.0
280.23596	7.1
287.07727	2.6
293.24713	0.5
305.08783	3.1
316.45404	0.4
323.09897	1.8
379.12189	0.8
391.19601	0.8
397.13483	68.6
398.13879	3.6
415.14548	29.2
416.14822	1.9
476.77005	0.4
535.27124	0.4
595.28778	1.4
603.19702	0.5
605.19147	0.5
677.34955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08269	0.8
58.76168	0.8
59.01252	9.4
59.30239	0.8
62.53657	0.9
62.96269	1.2
69.43606	6.2
70.36179	0.8
71.01251	5.9
73.02820	1.3
78.95770	60.3
83.01272	1.0
85.02811	1.9
87.00748	2.5
89.02316	5.8
92.61285	0.7
95.01229	0.8
96.24300	0.8
96.96835	10.4
101.02320	5.5
113.02330	2.5
118.96036	0.9
119.03380	1.9
122.70908	0.8
123.18391	0.7
123.96561	0.7
125.02322	2.4
143.03354	1.4
152.99483	77.2
153.99756	1.3
158.82642	1.1
161.04439	1.4
171.00543	2.2
178.95903	2.4
204.97575	1.1
214.57910	0.9
223.00063	8.6
235.08119	3.5
241.01151	19.7
248.54213	0.9
259.02350	1.4
279.23267	77.4
280.23520	6.6
280.99203	2.1
315.04852	9.4
337.01993	1.4
355.02780	3.9
397.13495	18.9
415.14630	6.8
416.14926	0.8
561.22913	1.7
595.28839	100.0
596.29199	13.8
604.49878	1.0
617.25439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04594	0.5
58.28442	0.5
59.01259	3.2
71.01244	1.8
71.12698	1.3
72.04476	0.4
73.02798	1.4
78.95776	2.6
83.02693	0.5
85.02832	0.5
96.95914	0.6
96.96872	0.5
101.02312	1.2
125.02328	0.5
142.41827	0.5
152.99510	1.2
191.05566	0.8
203.05521	0.6
208.94997	0.5
327.44000	0.6
471.34772	100.0
472.35123	13.8
485.36206	0.7
519.32605	0.6
631.77930	0.6
675.35626	1.1
675.47498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01582	1.0
63.74781	0.3
71.14927	0.8
72.10964	0.3
78.95765	1.1
101.02335	0.4
114.49465	0.4
122.16309	0.4
138.85860	0.4
152.99506	0.5
225.15247	0.4
277.21860	0.5
436.91483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03318	1.9
58.00468	3.2
59.01249	59.0
66.18155	0.4
67.01750	0.4
68.86728	0.5
69.03336	3.0
70.55914	0.4
71.01250	41.5
71.63724	0.4
72.01599	0.9
72.99182	2.9
73.02814	7.2
75.00743	0.7
77.04089	0.4
81.03336	1.6
83.01251	5.6
83.04924	0.5
85.02818	9.1
87.00744	10.7
89.02315	36.6
90.02663	0.5
91.03884	0.5
95.01260	3.3
97.02823	6.8
99.00732	2.5
101.02319	34.2
103.00294	0.5
103.03870	0.5
104.39101	0.5
109.02843	1.0
111.00751	0.8
111.04415	1.5
113.02327	18.3
114.02620	0.5
115.03926	0.6
119.03379	9.9
121.02856	0.6
125.02335	13.9
127.03910	0.7
131.03389	1.8
133.04967	1.4
137.02371	0.5
139.03880	1.1
141.01819	0.8
143.03403	6.7
149.04457	1.5
151.03952	0.5
161.04449	7.8
165.25964	0.4
179.05522	7.7
185.04634	0.4
194.68420	0.5
203.05653	0.9
217.07214	1.3
219.05183	0.5
221.06567	2.6
233.22728	0.9
235.08189	16.0
236.08495	0.7
245.06700	1.1
253.09216	3.7
254.01070	0.4
263.07706	1.5
264.48743	0.5
277.21704	100.0
278.22025	8.3
287.07721	3.8
305.08728	3.8
323.09702	2.1
379.12378	0.8
397.13480	81.4
398.13727	4.8
415.14557	33.9
416.14917	2.2
571.71582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90091	0.1
52.00040	0.1
52.05685	0.1
55.01756	1.4
57.03321	1.5
58.00465	2.6
59.01251	46.0
60.01577	0.4
67.01785	0.2
68.99684	0.5
69.03326	2.9
69.59380	1.0
71.01253	47.5
72.01601	0.7
72.01930	0.1
72.99182	3.9
73.02816	7.3
75.00741	1.5
78.95775	2.3
81.03326	2.1
81.44189	0.1
83.01256	5.4
83.04903	0.7
84.01587	0.2
85.02823	10.2
85.99489	0.1
85.99978	0.5
86.03160	0.2
87.00749	11.0
87.04379	0.3
89.02317	36.5
90.02656	0.6
91.03897	0.9
93.03327	0.7
95.01265	3.5
95.04898	0.4
96.95876	0.2
97.02830	7.9
99.00758	3.2
99.04408	0.5
101.02322	37.2
102.02676	0.6
103.00253	0.4
103.03891	0.6
109.02858	1.0
111.00729	0.7
111.04404	1.5
112.01572	0.3
113.02330	18.1
114.02682	0.3
115.03905	0.9
119.03387	10.7
120.03713	0.3
121.02816	0.8
123.00767	0.4
123.04401	0.4
124.01534	0.4
125.02338	15.0
126.02606	0.3
127.03863	0.5
127.07523	0.4
129.01807	0.3
131.03392	1.9
133.04982	1.3
135.04500	0.2
137.02309	0.5
139.03914	1.3
141.01813	0.9
141.05388	0.2
143.03404	7.0
145.04909	0.1
149.02339	0.4
149.04462	1.3
151.03932	0.2
152.99503	1.7
155.03374	0.2
157.04951	0.3
161.04460	8.0
162.04872	0.2
163.04079	0.1
167.03412	1.0
169.04951	0.5
171.02913	0.5
179.03806	0.2
179.05531	7.3
180.05890	0.2
184.25208	0.1
185.04558	0.7
191.80959	0.2
199.06085	0.7
203.05518	0.5
217.07092	1.1
219.05035	0.4
221.06599	3.0
227.05605	0.2
233.22807	0.3
235.08186	16.0
236.08539	0.5
241.01180	0.4
245.06592	1.1
253.09239	4.0
259.08286	0.3
259.20596	0.6
263.07654	1.9
264.07941	0.2
275.20062	0.6
277.09540	1.2
277.21704	100.0
278.22058	8.9
287.07733	3.7
288.08121	0.2
291.23306	0.5
295.22809	0.2
305.08765	3.7
323.09802	1.9
361.11551	0.7
379.12457	1.0
385.04800	0.1
397.13480	79.5
398.13812	6.3
398.19110	0.2
415.14554	33.5
416.14825	2.8
593.27167	1.4
594.27545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02828	6.3
59.01248	8.2
61.98691	1.6
69.68105	7.2
69.68511	3.3
70.02844	7.1
71.01253	5.0
72.00748	2.4
74.02345	38.7
89.02301	5.5
96.95902	10.2
98.02345	9.2
101.02316	2.7
113.02286	3.3
116.03433	9.1
116.04955	13.7
131.37202	1.4
132.53925	1.6
137.02271	1.9
138.01888	11.2
142.06502	3.6
143.81306	1.7
159.09125	2.9
161.42151	1.6
179.05544	2.4
193.46677	1.8
201.10237	4.1
203.08206	45.5
204.08461	2.2
245.09276	100.0
246.09512	6.4
285.03937	2.6
532.64862	1.8
675.17657	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.6
71.01256	8.3
71.57330	1.7
77.37994	1.0
78.95774	67.4
83.01300	1.2
85.02822	1.2
87.00764	3.0
87.02660	1.0
87.87719	1.2
89.02323	6.2
96.96840	9.8
97.02849	2.2
101.02332	6.3
101.55147	1.2
112.98711	1.6
113.02317	3.2
119.03397	2.6
125.02323	2.2
135.04335	1.9
143.03403	1.6
149.04459	1.1
152.99484	79.5
171.00551	2.5
178.95952	1.7
179.05634	1.4
191.05548	1.4
191.30711	1.1
202.74893	1.1
223.00107	7.8
223.02025	1.3
235.08061	2.3
241.01195	21.4
277.21707	64.6
278.21976	5.5
280.99164	2.3
287.75729	1.3
315.04883	11.4
355.02853	3.8
397.13480	14.5
415.14523	4.9
499.20981	1.2
559.22046	1.9
593.27301	100.0
594.27753	13.8
615.24152	2.1
674.46844	1.7
675.34607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84503	0.2
55.01742	0.2
56.53655	0.2
59.01240	2.3
71.01251	2.5
73.02824	0.6
78.95789	0.4
80.02542	1.1
81.03316	1.2
81.14017	0.2
83.01267	0.4
83.04893	4.1
84.02035	0.9
84.05200	0.3
85.02827	0.8
87.00741	0.4
88.63672	0.2
88.98692	0.2
89.02297	1.4
93.03342	0.3
95.01228	0.2
95.04895	0.6
96.95898	1.2
97.06469	0.2
99.00768	0.3
101.02330	1.7
109.06503	0.3
113.02316	1.0
119.03359	0.4
125.02354	0.3
125.05944	0.2
125.09625	0.2
127.68758	0.2
135.08043	0.7
143.03333	0.3
150.03148	0.7
157.04900	0.2
161.04436	0.7
163.09959	0.4
163.11200	3.8
165.05489	0.5
165.12733	2.0
171.00388	0.2
171.10187	2.6
179.05481	0.5
181.12222	0.6
191.05504	0.6
191.10715	1.0
195.06505	0.5
199.13300	0.2
209.11758	100.0
210.12090	5.8
227.12820	13.6
228.13118	0.8
229.75430	0.4
235.08232	1.4
235.10538	0.2
247.13307	0.9
250.27057	0.3
253.09264	5.7
265.14420	0.6
285.03796	0.3
293.70331	0.2
381.10092	0.3
401.23074	0.3
445.20651	0.6
447.11096	0.5
454.20901	0.2
459.10794	0.7
637.32068	0.6
643.18176	0.2
655.32703	0.4
673.33337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.6
69.58899	0.8
69.59329	0.7
71.01247	1.6
71.76202	0.2
73.02805	0.5
80.02537	0.9
81.03311	0.9
83.01234	0.5
83.04895	4.0
84.02021	0.8
85.02821	0.3
87.00748	0.3
89.02302	1.1
93.03300	0.3
95.04896	0.8
96.95879	0.3
98.20509	0.5
101.02330	1.6
113.02306	1.0
119.03383	0.4
125.05933	0.5
135.08012	0.3
145.04938	0.3
150.06706	0.3
161.04431	0.6
163.11182	3.4
165.12775	2.3
171.10190	1.9
179.05505	0.3
181.12314	0.7
191.10674	0.9
199.13374	0.3
209.11761	100.0
210.10023	0.3
210.12093	5.6
221.11732	0.3
227.12831	12.9
228.13158	1.0
235.08133	1.6
247.13332	1.3
253.09242	5.6
254.09587	0.2
265.14462	0.6
271.02475	0.3
299.02115	0.2
312.42993	0.2
445.20496	0.5
477.54129	0.2
619.30371	0.2
629.30481	0.3
630.30811	0.3
637.32178	0.6
673.40680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03309	1.5
58.00469	3.0
59.01249	55.5
60.01576	0.9
67.01752	0.6
67.71214	0.6
68.99687	1.0
69.03311	3.6
70.08189	3.5
71.01250	51.1
72.99186	4.1
73.02818	8.4
75.00758	1.3
78.95750	1.2
81.03341	3.2
81.67221	0.7
83.01245	6.7
83.04866	1.5
85.02820	10.2
87.00755	14.1
89.02315	43.3
90.02651	0.7
91.03867	1.2
95.01266	3.9
97.02818	7.3
98.27811	0.7
99.00742	2.3
100.23750	0.6
101.02317	40.0
106.84862	0.7
109.02853	0.9
109.06473	0.8
111.00758	0.9
111.04420	1.2
113.02327	20.1
115.03895	0.9
119.03383	14.2
120.03699	0.9
121.02772	1.0
123.04410	1.2
124.01499	1.0
125.01427	1.1
125.02338	17.1
131.03377	2.4
133.04906	1.0
139.03839	1.0
141.01826	1.3
143.03406	9.0
149.04495	1.6
161.04474	9.8
167.03349	1.0
169.04936	1.0
177.16325	1.0
178.92012	0.6
179.05544	7.9
181.04930	0.7
185.04440	1.1
203.05460	0.9
209.11736	1.8
212.26700	0.7
213.20398	0.6
217.07118	1.1
221.06609	4.3
231.21158	4.3
235.08167	16.8
245.06609	0.9
253.09247	6.1
263.07602	3.1
275.20129	100.0
276.20508	7.4
277.09320	1.0
287.07693	4.6
305.08789	3.8
305.11768	0.7
323.09750	2.3
361.11221	0.9
379.12283	0.9
397.13470	85.8
398.13931	5.7
415.14529	45.4
416.14807	3.1
649.03937	0.7
675.37531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49215	0.3
55.01746	1.7
57.03320	1.9
58.00464	2.2
59.01247	53.4
59.11183	0.3
60.01582	0.3
69.03326	3.2
71.01249	47.1
72.01622	0.5
72.99180	3.5
73.02813	8.0
75.00755	1.2
78.26476	0.3
81.03327	2.8
83.01250	5.1
83.04906	0.7
85.02820	9.0
85.99975	0.7
87.00743	12.1
87.01263	0.7
87.04353	0.3
89.02310	39.7
90.02681	0.5
91.03892	0.6
93.03335	0.5
95.01254	3.0
95.04912	0.3
97.02828	7.1
97.03459	0.4
98.19785	0.5
99.00757	2.7
99.04401	0.7
101.02316	38.1
102.02679	0.6
103.03862	0.5
109.02831	0.7
109.25442	0.3
111.00780	0.5
111.04410	1.4
113.02321	18.0
114.02627	0.4
115.03892	0.9
119.03381	12.6
121.02829	0.9
123.00806	0.5
123.04414	0.6
124.01518	0.5
125.02328	15.8
127.03893	0.8
131.03394	2.1
133.04941	1.3
137.02408	0.4
139.03915	0.8
141.01894	0.5
143.03398	8.2
149.04477	1.3
151.03899	0.4
152.99507	0.4
157.04980	0.5
161.04459	9.5
167.03432	1.1
169.05045	0.5
171.02974	0.4
177.16447	1.3
179.05525	8.9
185.04460	0.7
199.06009	0.8
202.49802	0.3
203.05531	0.8
203.17984	0.3
209.11771	0.8
217.07130	1.5
219.05089	0.4
221.06561	2.9
222.31331	0.3
231.21140	4.4
235.08173	15.8
236.08488	0.8
245.06627	0.9
253.09251	5.2
257.19083	1.0
263.07706	1.9
275.20126	100.0
276.20471	9.3
277.09320	0.9
287.07712	4.0
305.08789	4.3
323.09683	2.4
361.11481	0.9
379.12390	1.6
397.13467	84.1
398.13782	6.9
398.18573	0.6
415.14536	43.9
416.14902	3.2
525.01532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04820	0.4
57.03298	0.5
59.01246	8.9
62.03643	0.4
64.53084	0.5
68.99701	0.6
69.03329	0.9
71.00885	0.7
71.01252	8.7
72.99181	0.7
73.02812	1.7
81.03324	1.6
83.01255	0.9
83.40363	0.4
85.02821	5.4
89.02308	3.9
90.56382	0.5
93.03350	0.9
95.01254	3.1
96.95892	4.2
98.20657	0.9
101.02304	5.1
108.02044	67.6
109.02840	32.4
110.03149	0.9
113.02348	2.5
119.03358	1.3
121.02814	1.0
122.03582	0.5
123.00767	2.1
123.04436	0.6
125.02342	0.6
133.02866	0.6
135.04388	0.5
151.03955	0.8
152.01044	66.3
153.01837	21.5
154.02118	0.5
161.04474	0.4
163.03864	1.2
165.01862	1.0
177.01909	0.6
195.13844	3.6
209.11748	1.6
213.14807	1.7
227.12872	0.7
315.07205	1.3
357.19162	0.6
375.20178	7.3
389.52719	0.5
545.09540	0.4
673.27039	100.0
674.27307	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	673.133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	69.3
69.87917	100.0
71.68097	20.5
78.95784	38.2
84.52452	18.7
87.00769	29.8
96.95863	26.2
97.37288	22.0
103.49959	19.5
121.02777	41.2
171.10181	79.7
183.31396	17.8
191.70909	19.7
209.11763	72.8
223.13235	46.0
247.63258	22.2
417.61691	23.2
507.10880	23.0
529.25446	23.2
551.36115	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	673.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.8
65.00179	0.1
65.03818	0.1
69.03281	0.2
71.01248	0.4
73.02807	0.3
78.96817	0.2
81.03335	0.6
89.02306	0.2
91.01778	0.5
96.95879	1.9
101.02320	0.2
108.02040	2.6
109.02830	69.3
110.03156	1.4
113.02305	0.4
153.01831	100.0
154.02159	2.5
161.04549	0.1
185.90532	0.2
209.11787	0.5
272.06641	0.1
315.07190	0.2
328.44769	0.1
329.31818	0.2
357.19858	0.2
375.20224	0.4
377.72287	0.2
471.24860	0.2
639.87408	0.2
673.27087	0.7
673.38287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4016
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03320	0.9
59.01252	3.5
61.98708	1.2
67.34290	0.3
69.63076	2.1
71.01257	3.4
72.26512	0.3
73.02826	0.8
78.95783	0.5
79.95605	11.0
80.96391	0.6
83.04903	0.7
85.02818	2.1
87.00761	1.0
87.47240	0.3
89.02314	0.7
93.03365	0.4
95.01268	0.5
95.04887	0.6
95.95114	5.8
96.95893	18.1
97.02816	0.5
99.00752	0.4
99.04413	0.9
101.02325	1.4
107.04899	0.4
108.02015	0.4
109.06500	0.4
111.04462	0.4
113.02327	1.5
113.05946	0.5
121.02862	0.7
123.04454	0.8
127.11118	0.4
129.66077	0.3
133.02875	2.8
135.04430	2.5
135.08060	1.0
136.05164	0.5
137.02364	0.7
137.06000	0.7
137.09633	0.5
148.05197	0.4
149.02242	0.4
149.05972	5.7
150.06772	49.4
151.03949	0.6
151.07188	1.9
153.12752	0.3
155.10704	0.6
161.02354	4.3
161.04480	0.4
161.09621	1.0
162.06792	1.1
163.07555	11.6
163.11223	1.1
164.08351	6.7
165.01822	1.0
165.05505	0.9
171.10228	0.8
176.08336	2.5
177.09113	1.1
178.09906	3.6
179.03409	1.3
179.10707	14.4
180.11040	0.6
186.30421	0.4
189.09149	0.7
193.05089	0.4
193.08699	0.4
207.10251	1.6
208.83136	0.3
209.11772	3.4
217.12396	0.3
221.11830	0.4
225.11319	2.2
227.12984	0.7
231.10089	0.4
237.41315	0.4
261.11435	0.6
265.05579	0.5
265.21710	0.8
283.22818	0.6
321.08798	0.5
327.25427	1.2
329.23294	6.2
330.23425	0.5
334.21329	0.4
365.08804	4.0
430.30804	1.3
445.33301	1.1
446.33871	0.7
448.31900	9.4
449.32318	1.2
461.08484	0.4
461.19919	0.5
462.33527	1.3
463.34283	13.8
464.34531	1.3
490.33078	2.6
491.33701	3.5
492.34048	0.6
505.13828	0.5
508.34036	4.2
509.34830	31.9
510.35220	3.8
611.14368	0.9
638.16705	3.3
639.16394	0.8
653.15509	1.0
654.16052	0.9
671.16644	5.4
671.40143	100.0
672.16748	1.4
672.40552	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.5
59.76537	0.9
64.66862	1.0
71.01250	10.7
71.01618	1.3
71.10087	0.9
71.56712	1.2
71.57175	1.1
73.02793	1.5
78.95784	1.7
80.02531	1.6
81.03322	2.2
83.01272	1.9
83.04905	7.2
84.02007	1.2
85.02831	3.1
86.18195	1.0
87.00747	1.6
89.02325	6.4
95.04878	2.2
96.95872	2.0
97.02822	4.9
97.06499	1.0
99.00765	2.7
101.02315	6.5
109.06470	21.8
111.04388	1.3
113.02315	4.2
119.03419	2.2
121.06487	1.9
123.08032	2.0
125.02404	1.3
125.09624	3.6
135.08029	3.5
142.02609	2.5
143.03391	1.5
161.04489	2.0
161.09608	1.6
163.11195	17.2
165.12770	2.7
167.07048	3.7
171.10179	5.3
179.05455	1.6
181.12257	5.2
183.00394	1.0
185.11736	3.3
187.09782	1.2
207.10193	62.0
208.10507	2.8
209.11763	100.0
210.12137	4.7
210.24371	1.0
225.11285	27.8
226.11440	2.1
227.12834	12.9
231.10091	1.7
235.08246	4.7
235.13356	2.1
247.13306	1.6
249.11325	1.2
253.09319	10.0
255.23358	1.2
263.12875	1.1
284.07947	1.0
299.14832	1.2
302.03961	1.0
389.23212	1.1
399.21753	5.2
417.22784	6.0
443.19171	3.4
461.20413	8.4
533.19720	1.0
635.30780	8.7
636.31232	2.2
653.31805	12.1
654.31860	1.9
671.32123	23.2
672.33044	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	671.3773
Annotation	Kirkinine
Peak:m/z	Relative Intensity
59.01256	8.6
69.93096	4.2
69.93509	2.8
71.01257	1.6
82.02843	2.8
87.02505	1.3
87.05501	5.0
96.95871	11.8
97.03919	1.4
98.20451	1.7
101.05962	2.2
101.07175	1.5
109.03941	4.1
115.08620	3.5
116.04980	1.5
118.06518	3.4
120.48657	1.4
122.04778	3.3
123.03079	2.5
127.05016	22.4
128.03432	5.5
129.10208	4.4
130.08577	2.5
139.08647	2.3
140.07018	2.5
155.08168	1.8
155.11803	4.0
165.05362	3.1
165.10258	21.3
166.08621	4.4
169.03020	1.3
171.10158	2.3
174.05508	5.0
180.07777	2.3
181.09723	3.3
182.12878	11.4
183.11328	2.7
193.13368	2.0
200.13971	31.2
208.10841	35.0
209.09276	5.8
209.11693	9.8
213.14885	5.3
214.08640	2.5
225.11226	4.8
226.11903	31.2
227.12819	1.9
228.17091	1.7
241.13184	1.5
253.09306	1.6
255.23239	1.7
269.32483	1.6
278.18704	2.1
281.19809	4.1
299.20953	3.3
309.19211	2.7
348.36041	1.5
410.24069	84.6
411.24341	9.0
486.27521	2.5
487.12827	5.2
589.19476	4.6
653.36700	14.4
654.37305	2.2
671.37787	100.0
672.38098	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	671.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	0.4
59.01245	3.3
61.75966	0.4
61.98671	0.7
64.16740	0.4
68.12255	0.4
70.92398	1.3
71.01265	3.3
73.02813	0.7
79.05473	0.4
79.95610	3.9
80.96404	0.6
83.01257	0.7
83.04911	0.5
84.77917	0.4
85.02818	1.3
89.02311	1.9
92.74640	0.4
93.03343	1.4
95.01257	0.8
95.04890	1.1
95.95092	2.7
96.95891	100.0
101.02330	1.9
106.04118	2.7
107.04922	3.3
108.02081	2.4
113.02333	2.6
119.04920	0.8
121.02821	0.8
123.04411	14.1
124.04772	0.4
131.04948	0.5
133.02855	10.3
138.03113	0.5
147.04401	1.0
149.06187	0.4
151.03923	4.6
153.33299	0.4
163.03957	0.5
163.24548	0.4
165.05484	8.5
175.03865	2.2
191.05495	1.1
193.04996	4.4
277.10806	1.2
285.04199	0.5
357.06268	0.9
375.07690	0.7
410.24695	0.4
437.24518	0.4
447.09290	0.5
519.11505	0.7
658.26379	0.4
671.16486	64.2
672.16827	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	671.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
59.01254	2.4
61.98689	0.3
62.57550	0.2
69.03336	0.4
71.01265	1.8
71.58766	0.4
73.02824	0.6
76.57746	0.3
79.95605	100.0
80.95564	0.4
80.96383	0.8
83.01257	0.7
85.02827	0.8
86.19841	0.3
87.00754	0.7
89.02308	0.7
93.03340	0.6
95.95106	41.6
96.95888	72.5
98.95490	0.3
101.02338	1.3
106.04108	0.4
107.04886	1.0
111.94583	0.3
113.02338	1.1
117.17210	0.2
119.03389	0.3
121.02876	0.3
121.06477	0.5
123.04419	1.6
124.44613	0.3
125.02287	0.4
132.02048	0.6
133.02837	1.9
135.04443	0.3
137.02324	0.3
138.52701	0.2
143.04568	0.3
151.03874	1.4
161.04494	0.3
165.05486	1.7
168.41486	0.3
174.73073	0.3
175.03935	0.9
175.11208	0.3
179.03316	0.3
191.05540	0.5
193.04991	2.2
205.12267	0.4
213.14880	1.8
217.12312	0.3
225.00739	0.7
247.09663	0.3
255.06801	0.4
261.11334	0.4
313.07080	0.3
327.05930	0.4
329.06943	0.5
331.08575	0.6
339.05215	0.3
357.06616	1.2
359.08145	0.8
369.05042	0.4
387.07040	0.7
397.13281	0.7
415.14581	0.5
475.12772	0.5
493.13721	1.5
503.12183	0.4
521.13544	0.5
571.10925	0.4
611.14398	1.4
612.14758	0.3
626.16937	1.8
639.13977	2.5
653.15289	3.6
654.16022	4.6
655.15894	0.4
658.16022	0.7
671.16492	11.5
672.16565	1.5
686.14941	1.2
687.16699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03321	2.0
58.00452	1.1
59.01251	21.0
63.97689	0.3
68.99712	0.5
69.01337	0.3
69.03307	0.8
69.61215	1.1
69.61648	1.2
71.01253	25.0
71.34873	0.3
72.01563	0.4
72.99189	1.8
73.02819	7.8
75.00737	0.7
78.95744	0.4
83.01263	5.3
84.02065	0.4
85.02824	13.4
87.00757	2.0
89.02311	5.8
95.01260	2.1
96.95897	1.4
97.02830	0.8
99.00758	3.0
101.02322	19.7
111.00761	3.5
113.02333	9.2
113.03141	0.4
119.03394	2.3
125.02342	0.7
129.01825	0.8
131.03383	0.5
135.04451	0.4
141.01851	0.6
143.03412	0.7
143.10666	0.7
153.07596	0.3
159.02907	1.7
161.04442	1.9
177.03336	0.3
179.03471	0.4
179.05521	0.4
205.76627	0.3
255.02913	0.9
283.02432	0.5
284.02982	0.4
299.25879	0.6
345.30075	2.1
428.63504	0.3
507.35324	9.0
508.35730	0.9
669.40680	100.0
670.41064	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	670.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.6
71.01256	13.0
71.72636	2.3
72.99171	3.2
73.02802	3.1
78.95773	14.5
82.02826	3.5
87.00767	3.2
89.02304	5.8
96.00795	41.9
96.95885	35.9
98.02350	11.2
99.00747	6.3
99.05486	13.3
101.02298	7.9
107.04897	2.6
109.03944	8.8
110.02356	22.0
111.01910	2.6
114.01829	3.0
116.04928	6.4
121.03963	7.7
124.02673	2.8
135.01888	4.6
135.04413	4.1
139.05002	3.9
141.06589	11.5
141.26797	2.7
147.05884	6.3
148.04266	39.0
149.00845	3.6
153.02945	7.2
155.04454	3.8
158.05992	2.7
171.00511	4.2
171.04062	3.9
186.09071	3.5
189.06960	19.1
201.10216	3.6
202.27574	2.7
203.08113	15.6
211.13454	4.1
215.08313	4.1
227.08353	2.7
229.89084	2.5
234.09413	3.4
249.07758	3.0
295.07001	3.0
295.11121	12.3
373.18649	5.0
382.14301	5.0
397.13870	4.3
416.77469	3.7
432.12277	62.1
433.12604	5.4
444.12369	34.5
445.12125	3.3
462.13388	83.9
463.13358	9.6
551.68402	2.8
622.19470	5.8
652.21155	100.0
653.21582	16.2
670.20966	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	669.3854
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.81641	0.3
57.03321	1.5
58.23806	0.3
59.01248	2.6
71.01256	1.2
71.57095	0.5
72.85175	0.3
73.02824	0.5
75.48936	0.3
78.95792	0.5
85.02827	1.1
87.00769	0.8
88.98672	0.6
92.00941	0.3
95.04877	0.5
96.95887	1.0
99.04401	0.6
101.02321	0.4
101.52077	0.4
109.06525	0.4
111.08037	0.8
113.02334	0.7
113.05978	0.4
123.70414	0.3
135.08067	0.6
136.05222	0.5
137.05980	0.5
148.05005	0.4
149.00864	0.5
149.05978	7.0
150.06767	46.2
151.07101	1.8
153.09123	0.6
157.08618	0.9
161.09679	0.7
162.06789	0.7
163.07556	10.6
163.08926	0.6
164.08340	7.2
169.12253	0.9
171.10216	0.6
176.08295	2.1
177.09097	1.1
178.09888	3.0
179.10690	14.2
180.11137	0.7
193.08601	0.4
207.10152	0.5
263.20157	0.7
276.34485	0.4
279.23300	0.7
281.21271	1.4
325.23746	0.8
327.21741	5.0
328.22037	0.5
426.88953	0.3
428.29526	1.8
443.31509	1.1
444.32352	0.6
445.33530	0.6
446.30310	9.5
447.30530	1.2
460.31705	1.0
461.32712	11.2
462.33105	1.7
463.34161	0.7
488.31201	2.4
489.32190	2.2
506.32327	3.3
507.33231	29.2
508.33578	4.1
553.27826	0.4
669.38525	100.0
670.38892	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	669.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.5
61.91771	0.2
63.32581	0.2
71.01230	0.1
71.58915	0.2
78.95774	4.6
79.95609	2.3
85.06247	0.2
96.95884	100.0
96.96780	6.0
98.02390	0.2
101.58317	0.2
161.96169	0.2
174.99135	0.2
178.71352	0.2
208.55031	0.2
209.11670	0.2
213.99100	0.2
217.00069	0.2
278.01367	0.2
299.11856	0.2
311.11639	0.9
353.12686	0.2
353.56601	0.2
364.30511	0.2
648.12061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55275	0.1
59.01242	0.5
71.01241	0.2
71.57309	0.3
72.06807	0.2
74.89407	0.2
78.95770	4.4
79.95609	2.8
86.13340	0.2
96.95889	100.0
96.96789	6.7
97.95825	0.4
98.02364	0.4
101.02343	0.2
112.98701	0.3
213.14842	0.3
217.00346	0.4
311.11746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1493
Annotation	Alterporriol E
Peak:m/z	Relative Intensity
59.01244	8.6
60.37916	0.7
71.01245	6.1
71.58396	1.2
72.99159	0.6
73.02824	1.4
79.95604	4.2
80.96391	1.8
83.01230	0.8
85.02820	3.0
87.00758	1.3
89.02326	4.4
93.03321	0.9
95.01268	1.1
95.95094	2.2
96.95886	100.0
101.02331	3.7
103.00259	0.8
106.04124	3.0
107.04899	3.9
113.02298	3.1
119.03362	1.4
121.02804	0.7
121.06476	1.7
123.04397	4.8
133.02846	8.0
135.08069	1.2
139.00305	0.9
147.08034	1.1
148.05133	0.7
149.02385	0.7
151.03903	4.7
161.04485	1.0
161.09596	2.4
163.07530	0.8
165.05481	6.5
167.03377	0.7
171.08029	2.2
173.05978	1.5
175.03897	2.2
179.03371	0.6
179.05588	1.2
185.09616	1.2
187.07588	1.3
189.09076	0.9
193.05009	4.5
195.08163	0.8
213.09166	5.5
231.10258	2.1
257.08093	0.9
265.05609	3.9
355.04956	6.0
357.13058	0.9
373.06000	0.7
405.15591	0.8
528.16516	0.7
669.14905	79.7
670.15277	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29271	0.5
57.50276	0.6
57.82772	0.6
59.01250	21.7
61.98692	0.8
65.18090	0.7
69.43439	5.0
71.01248	1.6
73.02816	1.6
76.29263	0.6
79.95612	0.8
85.02823	0.8
90.86532	0.6
96.95888	19.4
98.20506	1.0
98.95509	0.8
101.02287	0.9
107.35193	0.8
117.66133	0.6
135.04399	4.5
137.02354	0.9
137.09621	0.6
139.11188	16.5
151.00325	0.8
165.09067	1.0
179.03426	5.8
180.03693	0.6
181.12263	11.3
183.10178	21.8
184.10486	1.2
191.05447	2.7
199.13312	7.4
207.10329	0.9
216.99843	0.8
225.11302	5.4
226.11624	0.9
243.12344	100.0
244.12704	5.9
259.01071	0.9
337.04025	0.7
355.04834	0.8
373.25388	0.6
429.08463	0.8
525.06458	0.6
651.33838	0.6
669.17010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1491
Annotation	Alterporriol E
Peak:m/z	Relative Intensity
50.86570	0.6
55.17488	0.6
59.01248	7.0
71.01244	4.1
73.02815	1.1
75.00757	0.6
75.34180	0.6
79.95605	14.2
80.96391	2.0
85.02820	1.7
87.00762	1.1
89.02330	2.7
93.03329	1.5
95.04915	0.6
95.95089	2.7
96.95884	100.0
97.02878	0.6
98.95451	2.3
101.02312	3.0
103.00267	0.7
106.04082	0.8
107.04903	1.8
108.02042	1.1
109.02857	3.3
113.02331	2.7
114.12550	0.6
119.03403	0.7
121.02833	4.0
121.06454	1.0
122.03636	2.5
123.04399	12.7
123.91814	0.5
131.43597	0.5
133.02805	3.3
134.03293	0.6
135.04410	1.4
135.08035	0.9
137.02371	0.6
139.03885	4.0
147.04405	1.2
149.02350	17.2
150.02643	0.8
151.03911	1.9
152.75885	0.6
154.02704	0.8
161.04446	1.0
163.03894	0.8
163.07588	0.6
165.05482	2.3
167.03409	1.7
171.08037	1.2
173.09648	1.8
175.03865	1.0
181.05020	1.1
187.07602	1.0
191.03445	1.7
191.05542	0.8
193.04953	1.6
197.09651	1.7
209.04475	5.4
213.09084	0.8
231.10277	1.4
254.12581	0.5
265.05615	2.6
269.04361	0.6
280.46927	0.6
311.05984	0.9
337.03882	1.2
355.04929	4.4
357.06506	2.4
415.08984	1.1
589.19238	1.3
669.14905	55.9
669.33484	1.7
670.15240	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	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01240	3.3
60.24987	0.7
60.60890	0.7
66.62685	0.6
69.48904	5.3
69.49287	1.4
71.01237	1.9
71.04881	1.6
83.04881	1.4
89.02341	0.9
96.95876	10.8
97.02828	3.2
97.06453	0.7
98.20487	1.6
99.00754	9.7
109.06474	1.1
110.03617	0.8
111.04386	4.5
117.52736	0.7
125.09597	2.9
133.02875	1.5
142.02617	0.8
145.10126	0.7
155.14221	1.5
163.07544	1.5
163.11188	4.6
171.10213	1.1
173.13239	2.9
175.07547	2.0
177.01813	0.9
181.12268	10.5
182.12576	0.9
197.11838	1.1
199.13303	7.1
200.13766	0.8
207.10184	21.5
208.10530	1.2
217.12256	16.0
218.12534	0.8
220.03569	1.2
225.11255	34.7
226.11629	2.7
243.12331	100.0
244.12663	5.1
261.11288	18.7
262.11835	0.9
387.07620	0.8
667.19385	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	667.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41968	0.9
52.75095	0.8
55.01767	2.0
57.03313	2.9
58.00470	2.0
59.01250	38.2
62.17427	0.8
62.33964	0.9
66.99885	0.9
71.01256	40.7
71.29786	2.1
72.99176	3.8
73.02818	8.9
78.95767	2.8
79.95611	1.3
80.96383	0.9
83.01250	6.0
85.02814	15.3
85.51984	0.8
87.00742	3.8
89.02316	19.4
90.39240	0.8
92.37730	0.9
94.16091	0.9
95.01268	3.3
96.95889	14.5
99.00744	2.9
101.02322	26.5
108.15384	0.9
111.00752	2.8
112.98681	4.3
113.02330	13.1
116.97128	1.3
119.03396	6.5
129.01788	1.3
133.02826	2.4
133.43065	0.9
135.04366	2.0
141.01575	1.1
143.10652	1.1
149.00801	1.6
152.99498	1.6
153.80391	0.9
159.02817	1.3
161.04431	4.5
170.40314	1.0
179.05545	1.2
187.07539	1.4
202.83366	1.1
220.03738	1.7
275.09250	1.3
277.91171	0.9
343.28403	1.7
376.12869	1.2
430.09570	1.1
436.90286	1.1
487.33066	1.3
505.33926	16.4
519.03613	1.1
667.39124	100.0
668.39783	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	665.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20683	0.2
58.00485	0.2
59.01248	100.0
60.01572	0.9
61.98710	0.4
69.48270	1.5
71.01252	2.6
72.99214	0.2
78.95776	0.3
80.01865	0.2
85.02853	0.5
87.00771	0.2
89.02316	3.0
100.96469	0.2
101.02328	1.4
112.11212	0.2
113.02312	1.0
119.03376	1.6
143.03400	0.2
143.99080	0.3
161.04436	0.2
166.40616	0.2
179.05537	0.7
255.57637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46162	0.3
59.01241	1.6
70.28645	1.2
71.01252	0.7
78.95759	1.7
85.02830	1.0
87.00746	0.8
89.02296	0.3
93.03346	0.7
96.95868	0.7
97.02847	0.3
97.64321	0.3
101.02322	0.5
102.83076	0.3
109.02829	0.7
111.04399	1.0
112.98663	0.5
113.02308	0.3
119.03370	0.3
121.74050	0.3
124.26231	0.3
127.03886	0.3
133.02779	0.3
134.96159	0.3
135.04446	0.4
145.02888	0.5
147.04422	0.4
157.06474	0.3
157.10086	0.6
159.04385	0.4
163.07487	0.4
171.08054	0.4
172.05200	15.7
173.05574	1.0
173.13240	0.5
175.03966	0.3
175.07626	0.5
181.10091	1.8
182.39029	0.3
183.08073	24.4
184.08821	3.3
191.05531	5.6
197.09695	0.7
199.11208	55.2
200.11536	3.3
211.13344	0.3
215.03282	0.3
215.10689	0.8
216.07886	1.0
217.12277	3.8
218.12814	0.3
228.07819	2.6
229.01266	0.5
240.15518	0.3
243.10225	100.0
244.10556	6.1
255.03241	0.3
261.11301	4.6
262.11520	0.4
292.91806	0.3
294.05374	0.6
303.12363	0.8
405.15527	3.2
406.16525	0.3
408.07346	0.4
431.14633	0.5
463.60312	0.3
475.14090	1.0
561.54370	0.4
667.28723	2.4
667.38806	0.5
668.38556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45998	0.4
57.03308	0.5
59.01247	2.0
71.01235	1.6
71.57365	0.8
78.95770	1.1
85.02834	1.1
86.60244	0.4
87.00755	1.1
89.98638	0.5
93.03344	1.0
96.95876	2.3
103.96034	0.4
104.08091	0.4
109.02837	0.5
111.04387	1.3
111.37159	0.5
112.98653	0.8
115.00153	0.5
116.92674	0.5
119.04838	0.5
133.02856	0.5
135.04413	0.6
149.95436	0.4
152.99513	0.9
157.06467	0.6
157.10107	0.6
165.83397	0.4
171.08063	0.7
172.05203	17.3
173.05557	0.9
181.10132	1.6
183.08066	24.0
184.08766	3.3
191.05527	8.9
197.09654	1.0
199.11215	58.3
200.11536	3.8
203.03487	0.7
216.07863	1.5
217.12230	3.3
228.07892	2.1
234.70160	0.5
243.10219	100.0
244.10541	6.3
261.11288	5.5
285.03976	0.5
304.32886	0.5
405.15555	2.8
423.45480	0.5
431.15137	1.0
475.14093	0.8
505.21472	1.3
506.22031	0.5
557.31555	0.5
667.28223	1.9
668.28204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89277	0.5
53.24855	0.5
55.01745	1.9
56.16670	0.5
57.03326	4.7
59.01247	7.1
65.89004	0.6
67.01731	1.3
68.99696	0.7
69.52728	2.0
69.53156	2.2
70.42194	0.7
71.01248	7.4
72.99175	3.2
73.02805	1.5
75.00741	26.0
78.95773	1.2
83.01257	1.1
85.02819	29.2
86.03155	0.7
87.00751	3.6
89.02314	0.7
93.03297	0.7
95.01260	1.6
96.95888	8.8
99.00739	2.5
100.14025	0.6
101.02338	1.0
109.06445	1.3
111.00652	0.7
111.04435	0.8
112.01554	0.6
112.98701	3.1
113.02322	22.4
115.00247	0.8
116.01025	2.5
117.01775	0.9
133.02840	1.5
134.03622	1.8
135.04407	2.4
157.01331	1.3
158.34254	0.7
160.01521	1.8
161.02312	0.7
169.10063	0.7
171.08092	0.7
171.11642	1.2
173.13278	2.0
175.02325	1.1
178.02554	0.8
179.03329	0.7
181.06488	2.7
182.07182	1.2
184.08807	1.4
187.07565	1.1
191.03931	1.0
191.05530	9.8
195.08046	1.7
197.09656	15.6
198.10278	1.5
199.11191	2.7
210.06668	0.7
213.09206	1.2
217.12265	4.5
223.07663	0.8
225.82355	0.6
228.64102	0.7
231.10167	2.0
236.11974	0.7
241.08687	8.0
242.09033	0.9
243.10214	2.6
255.10365	0.9
261.11316	2.7
275.09311	3.5
371.23608	1.9
389.08643	0.8
415.22635	1.1
429.26294	1.2
439.32089	1.6
459.21567	9.6
459.27661	0.8
460.21942	1.5
469.33118	1.1
473.24835	1.0
489.35849	1.0
503.20755	71.6
504.21060	13.9
545.21594	0.9
602.61414	0.8
665.39032	100.0
666.39496	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96331	0.6
55.01746	2.1
57.03312	2.4
58.00466	3.5
59.01248	73.3
69.03307	1.5
71.01250	57.6
71.58359	0.6
72.01567	1.2
72.99181	6.1
73.02821	8.3
75.00749	1.4
79.95584	0.7
81.03310	0.7
83.01248	5.0
85.02820	15.9
85.03340	0.8
87.00751	5.3
87.47572	0.6
89.02312	52.4
95.01256	4.2
96.95887	20.2
97.02827	2.4
99.00755	5.8
99.04386	0.7
101.02318	44.7
109.02809	1.0
111.00714	1.1
113.02324	25.7
115.03881	0.8
115.98801	0.6
119.03382	29.3
123.04370	1.4
125.02342	2.5
127.03866	0.7
131.03384	3.7
135.04344	0.7
137.08621	0.6
137.66821	0.6
138.12799	0.7
143.03400	6.6
149.04448	1.9
159.02936	1.2
161.04454	9.0
179.05519	18.6
180.05934	0.7
209.15390	2.7
213.18881	0.5
215.05562	1.4
293.08734	2.1
337.03802	1.2
355.04837	1.9
371.20734	4.1
417.21475	0.7
464.14392	1.0
485.23856	5.3
503.24979	20.0
504.25266	2.4
545.16882	0.7
665.30219	100.0
666.30682	13.1
666.39423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20023	0.6
59.01239	1.1
73.02824	0.7
75.83255	0.7
76.32217	0.6
83.04905	3.6
85.63303	0.7
87.00726	0.7
91.81797	0.7
95.72920	0.6
96.95908	4.4
97.02805	1.9
105.06940	1.1
106.35367	0.7
111.04401	24.0
112.98673	1.1
113.72574	0.6
117.03329	1.0
117.07020	1.0
119.04902	6.8
119.08564	0.7
123.04380	1.1
131.56807	0.8
145.02853	5.1
148.05206	0.7
149.05901	1.1
151.07562	1.6
163.07541	5.8
171.11658	0.7
173.13257	14.6
175.07555	6.4
175.11153	1.8
187.07564	0.9
187.11150	1.0
189.09109	1.0
189.12726	2.4
199.11214	4.3
202.09882	0.9
217.12271	85.8
218.12579	4.3
243.10258	0.8
261.11288	100.0
262.11658	7.7
306.96039	0.7
519.11127	0.7
545.24139	4.9
665.29041	3.6
665.39618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99257	0.4
55.01750	0.6
57.03322	0.9
58.00465	0.8
59.01248	84.1
60.01583	1.0
69.03329	0.5
71.01252	13.6
71.38434	0.5
71.38773	0.9
72.99185	1.6
73.02818	5.2
79.95618	1.1
83.01260	3.0
85.02819	3.7
87.00766	2.0
89.02309	9.2
89.02814	0.6
95.01268	1.2
96.95885	30.2
97.02840	0.6
98.95462	0.8
99.00763	1.4
101.02314	11.9
102.02636	0.5
111.44296	0.5
113.02326	7.7
119.03397	3.7
125.02329	0.7
131.03445	0.8
135.07222	0.5
141.01712	0.5
143.03433	0.5
150.34521	0.5
155.38995	0.5
161.02362	1.3
161.04439	2.3
173.09673	1.5
179.03560	0.5
179.05530	1.8
180.04086	0.6
187.25212	0.5
201.09135	0.8
205.12311	0.8
216.99980	0.8
245.08083	0.7
247.09718	1.2
259.01199	0.7
261.11404	0.6
337.03781	2.4
355.04895	8.6
356.05148	0.9
357.19180	1.6
381.19006	0.8
399.20303	4.2
417.21249	5.0
418.21841	0.6
423.20999	0.5
441.21304	3.8
442.21317	0.8
455.22595	0.6
459.22321	100.0
460.22699	10.0
464.14261	1.0
465.21585	1.2
472.02405	0.6
472.30817	0.6
494.27118	0.7
664.39270	1.0
665.29681	1.4
665.39459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
70.45986	0.8
71.01241	0.8
75.00771	0.4
82.05243	0.3
85.02801	0.8
89.02317	0.4
96.61858	0.3
96.95901	0.9
98.20485	0.4
101.02301	0.5
104.46569	0.3
111.04408	0.6
112.98707	0.4
113.02324	0.7
157.06590	0.4
169.10152	1.9
171.08083	0.6
171.11717	1.3
173.13278	3.7
181.06531	5.5
182.07309	2.6
184.08920	2.9
185.09596	1.2
195.08090	3.9
197.07832	0.8
197.09651	14.6
198.10083	1.0
199.05336	0.4
199.11220	8.5
199.12950	0.7
200.11555	0.5
203.10748	0.7
209.09709	0.9
211.07646	0.7
211.11215	0.5
213.09180	0.9
215.10765	0.5
217.12297	9.2
221.09665	0.4
223.07626	0.7
223.11362	0.4
227.10796	0.5
237.09201	0.7
241.08653	9.5
242.08977	0.8
243.10277	1.1
251.14481	0.8
255.10216	0.6
261.11243	1.7
301.27805	0.3
318.76230	0.4
353.49237	0.4
356.21271	0.6
371.23740	0.8
415.22693	1.5
441.20877	0.8
459.21753	17.9
460.21970	2.7
473.23373	0.7
501.22888	1.4
503.20758	100.0
504.21112	12.8
504.26910	0.2
545.22003	2.9
595.43732	0.4
621.26660	0.5
665.26080	4.7
665.38934	1.4
666.26337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65999	0.6
58.67964	0.7
59.01252	4.3
64.96245	0.7
68.65196	0.7
69.33602	3.1
69.34024	2.8
71.01254	2.5
74.24860	0.7
75.00751	0.8
78.95778	1.4
83.04929	0.8
85.02818	1.6
85.21310	0.7
89.02310	1.4
91.05395	2.3
96.95895	3.1
101.02325	1.4
101.23372	0.6
111.04386	1.0
112.45602	0.8
112.98692	4.8
113.02329	1.6
115.51203	0.7
119.03368	1.3
123.04408	0.9
123.78754	0.8
133.02832	2.2
134.03625	3.8
135.04398	1.6
162.03134	1.0
173.13281	2.9
178.02580	0.9
181.06519	2.9
182.07225	1.1
187.07524	0.8
191.05548	1.0
195.08101	1.9
197.09676	7.5
198.10231	0.8
199.11235	2.3
217.12225	4.4
219.02887	0.7
231.10194	2.0
241.08583	3.3
248.03267	0.9
261.11157	1.2
275.09314	4.1
292.02332	1.1
354.67389	0.8
371.23770	0.7
381.79398	0.7
415.22714	1.7
459.21841	4.0
503.20770	100.0
504.21133	13.3
664.37946	2.2
665.25897	1.6
665.43079	3.9
665.82379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32858	0.3
53.61367	0.3
55.81100	0.3
59.01249	1.9
62.34719	0.3
68.99688	0.4
69.26343	1.7
69.26764	1.3
69.27036	0.3
71.01250	1.5
72.99188	0.7
79.05378	0.5
83.04897	0.6
85.02815	0.4
87.00755	0.7
89.02287	0.7
91.05404	0.9
96.95901	0.8
98.19812	0.5
111.00712	0.4
111.04390	1.2
112.98699	4.9
113.02292	0.8
118.97958	0.4
119.08595	0.4
121.06473	0.4
125.09596	0.6
127.67380	0.3
133.02840	0.5
134.03606	1.1
135.04370	0.6
145.10159	0.4
155.08533	0.5
158.03612	0.6
159.04427	0.8
159.11732	0.4
163.07547	0.7
169.10132	2.1
171.08086	0.6
171.11696	1.1
172.05194	0.4
173.06024	0.7
173.13277	5.5
175.07484	0.4
178.02728	0.3
179.08536	0.5
181.06517	7.5
182.07245	1.7
184.08842	3.2
185.09595	0.4
187.03923	0.4
187.07556	3.2
187.09346	0.5
188.08032	0.4
195.08067	5.1
197.09653	17.3
198.10104	1.3
199.11212	9.0
200.11530	0.5
201.05373	0.5
202.06287	0.6
203.10689	1.4
203.72818	0.4
205.08748	0.5
211.11142	0.7
213.09117	1.4
215.07092	0.8
215.10641	0.5
217.12286	8.1
218.12643	0.5
223.07570	1.2
223.11325	0.4
229.08603	0.3
231.10188	2.6
236.11909	0.4
237.09138	0.5
241.08685	12.7
242.08997	1.0
243.10265	0.6
251.14282	1.1
257.08170	0.8
261.11301	1.4
275.09241	6.5
276.09564	0.6
291.51462	0.3
315.08780	1.8
317.10138	0.7
356.21744	0.5
370.58673	0.3
371.23618	0.9
389.08810	3.3
390.09186	0.3
415.22574	1.5
441.20828	1.0
459.21738	9.9
460.22089	0.9
503.20755	100.0
504.21097	13.8
545.21759	5.9
546.22040	0.8
633.31342	1.1
665.26367	3.0
666.26215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47518	0.6
59.01252	8.1
69.03323	0.6
69.71815	0.5
71.01258	3.4
71.21644	1.0
72.99171	2.9
73.02812	1.2
75.00757	0.8
84.99200	1.2
85.02811	1.9
87.00756	3.2
89.02307	1.0
96.95886	5.4
99.00767	1.2
101.02324	1.2
105.03306	0.6
109.02821	0.8
111.00763	1.8
111.04432	0.9
112.97971	1.2
112.98696	16.2
113.02302	1.2
116.97146	0.9
119.04928	1.0
120.99531	1.0
122.50050	0.6
133.02840	1.7
134.03648	3.8
135.04370	1.9
137.02309	0.6
139.00279	1.1
147.04303	0.6
149.00826	2.2
158.03625	1.6
159.04488	2.9
161.02415	1.4
162.03056	1.2
163.03870	0.7
169.10138	2.2
172.05180	1.2
173.00795	1.2
173.05998	2.1
173.13237	2.4
174.06799	0.8
175.03893	1.0
175.07541	1.1
178.02626	0.9
179.03429	0.8
179.10365	0.6
181.06511	12.3
182.07240	2.7
184.08777	0.8
187.03883	1.6
187.07576	9.6
194.99127	0.7
195.08076	9.0
197.09651	31.3
198.10013	2.3
199.11174	2.2
201.09164	0.8
202.06310	2.8
203.10687	2.5
205.12199	1.1
207.79852	0.7
210.10397	1.0
213.05457	0.7
213.09132	2.0
215.07033	2.5
217.12257	3.2
221.09709	0.7
223.07646	1.2
225.12793	1.7
229.08755	1.1
231.10223	8.7
233.08136	0.9
241.08653	13.0
242.09163	0.8
243.10150	0.7
248.03241	1.3
251.14436	1.8
257.08099	3.1
261.11298	1.8
269.11801	0.9
273.11520	0.9
275.09250	19.6
276.09570	1.2
287.09161	0.8
289.10791	0.8
315.08719	5.4
316.08963	0.6
317.10205	2.4
348.15195	0.7
371.23846	0.7
389.08838	10.6
390.09232	1.1
407.09543	1.2
415.22675	1.1
441.20926	0.6
459.21915	5.1
460.22351	0.7
485.32526	0.9
503.20752	100.0
504.21091	13.4
533.17603	0.7
545.22076	1.6
605.33997	0.7
659.98016	0.7
665.26056	6.7
665.38739	4.8
666.26447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49252	0.4
57.03322	0.6
57.28605	0.4
57.71532	0.4
59.01244	4.1
71.01250	1.4
72.99194	0.5
73.02824	0.5
73.80144	0.4
75.00782	0.4
78.95779	1.0
83.04891	0.5
85.02824	7.4
87.00739	1.3
88.81911	0.4
89.02349	0.5
93.03348	1.7
96.95891	2.9
101.02317	0.5
109.02819	0.5
111.04397	1.3
112.98711	2.5
113.02322	2.9
127.03890	0.9
131.63229	0.4
132.02081	1.9
133.02840	1.3
134.03644	1.1
135.04430	3.6
137.02258	0.4
160.01569	3.9
161.02350	1.8
163.07567	0.8
169.10138	1.6
171.08047	0.7
171.11678	1.0
173.04428	0.5
173.05910	0.5
173.13292	2.6
179.03452	1.1
179.08519	0.5
181.06497	4.8
182.03096	0.4
182.07309	2.6
184.08833	1.3
187.07611	0.8
191.05544	37.3
192.05920	1.1
195.08075	3.5
196.08508	0.4
197.07841	0.8
197.09651	13.2
198.10048	0.8
199.11188	5.2
200.12794	0.4
201.05461	1.2
203.10837	0.6
209.09755	0.5
213.09129	0.8
217.12332	6.4
217.14180	0.9
218.12619	0.4
231.10207	0.6
241.08678	12.2
242.09003	1.0
243.10216	0.9
251.14384	1.1
257.15417	0.5
261.11313	3.9
275.09183	2.6
301.14435	1.8
329.17545	0.6
335.24115	1.8
371.23788	1.0
389.08951	0.6
411.25278	0.7
415.22946	1.1
429.26389	4.8
441.20612	0.7
455.24365	0.9
459.21640	4.1
460.59033	0.4
473.25345	8.1
474.25647	1.0
485.20160	0.4
503.20764	100.0
504.21103	13.4
545.21832	1.8
561.32922	0.8
563.34387	0.7
579.34125	0.9
582.28809	0.5
664.41602	3.4
665.25000	3.1
665.42340	2.5
666.25842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03321	5.8
59.01256	4.8
67.01759	1.0
68.99683	0.6
69.03322	0.3
71.01255	6.9
71.15880	0.4
71.16229	0.8
72.99193	3.5
73.02812	1.1
73.78264	0.4
75.00748	30.7
76.01120	0.4
78.95773	0.5
79.30187	0.3
82.94057	0.3
83.01248	1.8
84.02041	0.9
85.02825	34.4
86.03152	0.6
87.00749	3.5
87.93989	0.3
89.02340	0.5
93.03325	0.6
95.01256	1.6
96.95894	5.7
97.02823	1.7
99.00752	3.3
111.00797	0.6
111.04385	0.3
112.01551	1.4
113.02332	22.2
113.05959	0.8
115.00243	1.3
116.01051	4.1
117.01817	1.0
129.01808	0.6
135.04395	0.7
151.65700	0.4
157.01289	2.0
175.02390	1.3
179.03401	0.4
184.46027	0.3
191.05580	3.5
269.37039	0.5
290.22122	0.4
353.08664	0.5
415.76947	0.4
439.31879	0.7
487.34241	0.9
663.37488	100.0
664.37854	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	665.2141
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
51.57274	1.2
55.01752	2.4
57.03310	3.9
58.00453	3.5
59.01249	91.4
60.47874	1.4
69.03332	1.6
69.74577	8.1
71.01251	100.0
72.99168	5.6
73.02811	6.1
75.00733	2.8
79.15589	1.5
83.01247	5.6
85.02821	26.3
87.00733	9.0
89.02313	95.8
95.01250	7.3
97.02840	3.0
98.54279	1.5
99.00725	4.2
101.02317	59.4
111.00748	5.8
113.02322	56.8
119.03390	17.5
121.41239	1.5
122.55450	1.7
125.02296	4.0
129.01828	3.6
131.03392	4.2
143.03383	8.6
161.04471	20.7
163.98976	1.5
179.05527	56.3
203.05531	2.8
203.25385	1.6
209.90796	1.7
291.53964	1.5
323.09836	23.8
324.10376	1.5
341.10901	21.7
395.11746	7.4
485.15042	48.1
486.15375	4.2
503.16119	3.0
609.33258	1.7
609.42731	2.0
665.21381	70.8
666.22308	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	663.3748
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01752	1.1
56.62840	0.5
57.03326	5.5
58.00434	0.4
59.01247	3.8
67.01744	0.6
67.31970	0.4
68.99692	0.5
69.03333	0.6
71.01254	6.9
72.99178	3.0
73.02782	0.6
75.00748	27.3
76.01114	0.5
78.95764	0.4
83.01269	1.1
83.04879	0.4
84.02029	0.5
85.02824	31.1
86.03136	0.8
87.00758	4.2
88.88122	0.4
93.03330	0.5
95.01271	2.0
96.95888	4.8
98.20561	0.9
98.95457	1.0
99.00770	3.0
101.02364	0.5
109.06471	1.3
109.25679	0.4
112.01537	1.1
113.02332	21.2
114.02676	0.6
115.00248	1.6
116.01067	3.2
117.01800	0.7
130.99739	0.4
132.02042	0.5
135.04419	1.5
137.19301	0.4
157.01302	1.5
160.01590	1.4
175.02403	1.1
191.05548	12.0
281.30881	0.4
299.13049	0.5
427.24765	1.2
439.32053	1.2
469.33234	1.0
471.23862	2.9
487.33957	0.8
489.13354	1.5
501.27063	0.6
529.12183	0.5
663.37512	100.0
664.26575	0.9
664.37866	17.7
675.85699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3754
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01759	1.2
57.03325	6.0
59.01250	3.1
62.30184	0.2
66.85548	0.2
67.01766	0.3
68.99677	0.6
69.03310	0.4
71.01255	4.7
71.58051	0.3
72.99187	2.9
73.02820	0.3
75.00748	27.3
76.01095	0.3
83.01268	1.1
84.02042	0.6
85.02826	29.3
86.03165	0.4
87.00754	3.7
95.01276	2.4
96.95881	1.9
97.02818	1.0
99.00761	2.8
101.02303	0.3
109.06439	0.3
111.00751	0.5
112.01535	0.9
113.02331	19.4
114.02679	0.4
115.00272	1.1
115.01685	0.2
116.01054	3.1
117.01801	0.9
121.06467	1.2
123.08067	0.6
129.01776	0.8
153.09134	0.5
157.01334	1.7
167.10677	0.3
175.02408	1.0
191.05530	0.5
192.21309	0.2
252.09605	0.2
285.22360	0.5
391.29895	0.2
409.31573	0.3
439.32074	1.2
487.34302	1.1
488.34360	0.3
492.37500	0.2
535.61066	0.3
613.54449	0.2
663.37506	100.0
664.37860	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	660.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58273	0.5
59.01249	100.0
60.01599	0.6
65.66170	0.5
67.86909	0.6
78.12562	0.4
78.95792	1.4
98.20568	1.1
107.49571	0.5
123.50054	0.5
141.01590	72.4
142.01949	1.3
211.51648	0.5
248.06525	0.6
276.89539	0.5
279.23383	4.5
323.32578	0.5
348.29803	0.6
434.83533	0.6
444.12317	0.5
504.30786	1.9
538.82880	0.6
688.33545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77788	0.4
55.01752	1.3
57.03327	4.0
59.01250	2.6
61.38824	0.4
70.60629	0.9
70.60994	0.9
71.01251	5.6
72.66579	0.4
72.99179	2.2
75.00745	20.8
84.03331	0.4
85.02824	25.6
87.00749	4.2
89.02324	0.5
95.01266	2.4
96.76694	0.5
96.95888	2.1
98.87062	0.4
99.00769	2.8
102.36282	0.4
112.01533	1.0
113.02333	16.3
114.02675	0.5
115.00243	0.9
116.01048	6.9
117.01821	0.9
129.01799	0.8
133.02783	0.5
149.48222	0.4
157.01355	2.2
175.02376	1.2
175.75981	0.5
177.87230	0.4
179.87065	0.4
191.05507	0.8
202.20758	0.4
250.89552	0.4
255.02708	0.4
377.28403	0.9
393.31543	0.5
425.30499	0.7
437.30762	2.8
441.33691	1.3
467.31845	0.5
483.31049	0.9
485.25638	0.5
485.32690	9.2
486.32932	1.1
661.35895	100.0
662.36279	16.3
662.47589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.19642	0.4
60.01590	0.6
61.98700	0.4
78.95772	4.0
98.19730	0.8
125.43639	0.4
133.51816	0.4
152.99522	2.4
205.53445	0.4
207.10324	0.8
217.98628	0.4
222.59846	0.4
225.11333	0.7
279.23203	1.9
358.85895	0.4
415.22388	0.5
423.19687	0.5
659.35779	0.5
671.25555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58826	0.4
59.01251	100.0
60.01584	0.5
61.98682	0.6
67.87086	0.4
69.29384	1.7
69.29808	3.0
74.01937	0.5
78.95778	8.5
78.96211	0.7
86.22220	0.5
88.14006	0.5
96.96835	0.6
141.01598	74.4
142.01973	1.4
152.99455	3.8
171.00558	2.5
179.94739	0.5
224.06898	0.6
225.59135	0.5
279.23264	3.6
504.30841	2.8
619.96466	0.5
642.27173	0.5
661.26886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.6
55.37278	0.6
57.03328	0.8
59.01245	4.0
60.93423	0.6
68.99689	0.8
69.03324	0.8
71.01266	0.9
71.04874	0.8
71.53998	0.9
73.02814	2.0
78.95775	8.7
80.02541	2.8
81.03330	9.6
83.01254	11.4
83.04922	0.8
84.02029	1.6
85.06475	1.4
95.01257	2.0
95.04898	3.5
96.96827	1.1
101.06071	0.6
105.06966	1.4
107.04911	5.0
108.02046	8.5
109.02835	4.0
109.06467	2.0
111.00720	0.9
111.04399	2.1
121.06474	7.3
123.04391	1.1
123.08035	12.1
124.08344	0.6
125.02309	1.4
125.05990	1.1
127.07561	4.7
132.04190	1.2
133.06490	5.7
134.03670	0.7
135.04411	2.2
136.05167	1.1
137.05930	0.8
149.06070	0.8
150.06763	0.7
151.03859	1.9
151.07544	42.0
152.01079	0.9
152.04697	0.9
152.07872	1.9
152.99513	3.9
153.05467	3.2
159.04514	0.9
165.05486	7.4
166.06244	4.3
167.98819	0.7
173.62134	0.7
177.05478	2.0
177.09100	2.0
179.03493	1.4
181.05000	7.5
187.06221	0.8
191.14360	0.8
193.04985	1.0
194.05777	14.8
195.06549	27.8
196.06969	0.9
198.05276	0.7
225.11118	0.8
226.04745	4.4
279.23367	3.4
280.68335	0.8
298.10614	4.3
299.11252	5.2
330.09589	3.6
361.10504	0.8
415.22769	1.1
433.23944	0.8
471.34909	0.8
527.28394	0.7
555.36926	20.6
556.37231	2.9
659.41669	100.0
660.41992	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	659.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
63.96096	0.7
69.03345	0.9
69.51946	4.6
71.01251	7.7
73.02819	1.3
77.85170	0.7
78.95782	1.0
78.98450	5.5
79.95609	9.9
80.96386	70.4
81.03338	1.2
81.96341	0.7
85.02821	3.3
87.00753	3.5
94.97955	16.9
96.95885	1.6
97.02820	0.8
99.00797	0.7
101.02332	2.5
106.97955	2.8
113.02320	1.1
122.97467	4.5
125.02315	2.9
127.03839	1.0
134.97487	4.2
136.99025	1.7
148.99042	6.7
152.98500	6.7
152.99519	0.8
162.95467	2.5
164.98540	15.4
206.99579	2.9
225.00674	18.3
277.21695	1.5
299.04376	15.1
381.03519	2.2
485.96265	0.6
551.50317	0.8
577.26837	100.0
578.27222	13.9
659.24847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01566	1.4
61.37960	1.1
65.93806	0.9
67.24638	0.8
69.42054	9.3
71.01267	2.0
73.89771	1.0
78.05384	1.0
79.95591	1.4
96.95883	15.4
98.95513	1.6
136.98428	1.0
137.02345	1.7
161.02382	1.0
163.03915	1.2
165.01837	16.2
165.05464	1.0
179.03406	9.5
180.04248	11.3
181.04993	3.2
191.05545	3.9
194.05769	4.2
195.06557	19.6
196.07246	3.6
210.05328	4.0
211.09663	4.7
225.07639	22.5
265.05075	1.1
336.94675	1.1
359.11414	5.3
374.13684	5.6
389.16077	31.6
390.16309	3.2
437.18192	23.3
438.18469	3.4
456.14792	1.5
457.15036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01566	1.4
61.37960	1.1
65.93806	0.9
67.24638	0.8
69.42054	9.3
71.01267	2.0
73.89771	1.0
78.05384	1.0
79.95591	1.4
96.95883	15.4
98.95513	1.6
136.98428	1.0
137.02345	1.7
161.02382	1.0
163.03915	1.2
165.01837	16.2
165.05464	1.0
179.03406	9.5
180.04248	11.3
181.04993	3.2
191.05545	3.9
194.05769	4.2
195.06557	19.6
196.07246	3.6
210.05328	4.0
211.09663	4.7
225.07639	22.5
265.05075	1.1
336.94675	1.1
359.11414	5.3
374.13684	5.6
389.16077	31.6
390.16309	3.2
437.18192	23.3
438.18469	3.4
456.14792	1.5
457.15036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58829	0.6
59.01242	1.0
63.96100	0.8
69.03336	0.5
70.08389	1.1
70.08785	1.1
71.01253	8.1
73.02805	1.6
78.95772	1.9
78.98459	6.3
79.95602	9.7
80.96387	59.7
81.03337	0.8
85.02830	2.6
87.00745	2.5
91.11744	0.6
94.97957	14.8
95.41821	0.5
96.95892	1.0
97.02827	1.9
98.93030	0.4
99.00734	0.6
101.02308	3.1
106.97974	2.4
113.02309	0.8
120.94423	1.1
122.97459	4.6
125.02351	2.7
127.03908	0.6
134.04599	1.1
134.97481	5.4
136.99026	1.7
142.31648	0.5
148.99051	7.1
152.98462	5.4
152.99313	0.7
162.95486	1.4
164.98546	12.7
167.00113	0.6
171.00449	0.7
177.22052	0.5
182.99568	0.8
206.99655	2.6
225.00687	19.6
243.01750	1.0
277.21646	2.5
299.04407	11.7
300.04730	0.7
302.86603	0.5
381.03372	2.0
431.21939	0.8
517.63324	0.5
577.26837	100.0
578.27124	14.3
599.23828	1.6
600.22803	0.5
659.25690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	6.3
62.69836	1.1
63.02268	1.7
65.00197	3.3
68.99690	16.8
69.83810	7.7
71.01254	3.1
72.99157	1.3
73.02806	1.4
77.03861	1.2
78.95788	1.7
79.59332	1.2
79.95621	2.8
80.88351	1.2
83.01244	2.4
87.00749	2.3
89.02322	3.1
93.03343	3.4
95.01276	5.3
96.95891	42.2
97.02869	1.3
98.95482	2.2
101.02316	2.5
105.03367	3.8
107.01273	2.9
108.02102	1.3
109.02805	5.9
111.00761	1.5
113.02332	2.5
117.03384	1.4
119.04873	1.2
121.02842	5.3
122.03633	2.2
123.00769	17.0
123.04399	3.2
124.01570	3.5
125.02339	13.3
133.02870	9.4
135.00771	2.0
135.04405	4.5
136.01521	1.4
137.02344	12.8
138.03134	32.4
139.03955	5.7
147.00786	3.3
147.04410	2.8
149.02316	11.8
149.11328	1.1
150.03143	15.8
151.00273	12.6
151.03915	16.8
153.01849	14.7
153.05489	38.2
159.04411	2.0
161.02347	28.9
162.03069	4.5
163.00278	3.7
163.03929	2.8
164.01050	2.0
165.01846	61.0
165.05496	12.2
166.02641	6.5
168.04202	59.1
168.05653	2.3
169.04556	1.6
175.00294	12.9
175.03885	5.1
176.01088	32.2
176.04684	14.0
177.01854	26.8
177.05508	6.0
178.02644	13.0
179.03413	58.5
180.04208	34.3
181.04948	16.5
183.04381	1.5
189.05453	2.2
191.03438	31.4
191.05489	5.6
191.06943	6.7
192.04219	43.6
193.01372	34.9
193.04967	15.3
194.01964	2.4
194.05772	47.8
195.02925	2.0
195.06566	57.6
196.07001	2.2
199.04031	2.2
203.03487	3.5
205.05038	2.6
207.06572	57.0
208.03716	45.1
208.06888	3.3
209.04672	8.1
209.08142	70.8
210.05278	4.6
210.08391	2.0
213.05566	1.3
215.03322	1.4
216.49078	1.2
218.05801	2.5
221.04567	1.3
223.06071	100.0
224.06444	7.3
225.07635	15.5
227.03485	2.3
233.08115	3.3
236.06871	1.4
238.04768	4.6
241.05223	1.5
243.02856	2.0
249.11369	1.7
251.09154	8.5
255.02975	39.7
256.03543	11.9
257.04544	11.5
258.04724	1.4
272.03268	1.3
283.02466	52.5
284.03220	30.3
285.04031	57.1
286.04425	3.1
295.05997	2.0
300.02753	7.7
301.03375	2.0
309.03931	2.6
312.06195	1.2
329.10251	1.6
357.09811	15.2
358.10117	1.6
372.12177	2.6
377.12378	14.2
387.14575	3.8
419.13486	3.7
433.15015	4.2
449.14532	75.6
450.15018	7.2
456.14227	2.3
456.64322	4.3
462.09564	4.4
463.10513	9.7
517.11603	2.8
611.15265	10.4
612.15668	1.9
659.16791	8.7
659.23676	18.0
660.17194	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	659.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57277	0.6
59.01243	2.5
59.33003	0.6
61.98714	0.8
63.02269	1.3
65.00200	1.7
66.15382	0.7
69.26978	5.4
69.27405	2.2
75.00724	0.9
76.51398	0.7
78.95782	1.1
83.01269	1.1
85.02826	1.2
87.00779	0.9
93.03299	0.9
96.95897	7.8
101.02290	1.0
107.01253	3.6
108.02055	0.9
109.06480	0.8
121.02854	0.8
122.03556	1.2
123.00783	0.9
125.02377	0.8
127.84219	0.7
133.02835	12.6
147.04398	1.0
149.02341	2.2
151.00240	6.8
161.02310	0.8
165.05539	1.1
175.03883	4.5
175.07468	0.7
177.05411	1.4
178.06297	0.6
179.03430	0.8
183.04419	0.9
191.05516	3.1
191.07054	1.0
192.04175	1.0
192.05917	0.8
199.03944	2.3
201.01865	1.2
203.07094	0.8
207.06720	1.0
213.05527	1.0
217.04987	1.0
221.08109	1.3
227.03435	2.3
241.04965	1.8
255.02972	52.8
256.03723	27.4
257.04108	2.0
283.02469	99.5
284.03229	58.0
285.04031	100.0
286.04382	5.8
289.53952	0.7
298.04807	1.1
299.05618	4.1
300.05890	0.8
311.05475	1.5
312.09961	0.8
327.05020	1.0
339.05060	6.8
357.06082	2.7
357.13470	2.2
383.80865	0.9
593.14612	4.1
605.14539	2.1
611.15613	2.5
623.15601	2.6
629.16675	2.3
641.16711	6.3
642.17242	1.0
658.81854	1.0
659.17664	5.4
660.19000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01591	1.3
63.02998	0.3
71.58143	0.3
78.95771	6.0
96.95899	0.5
96.96832	0.7
120.84238	0.4
141.01591	70.4
142.01913	1.2
142.13730	0.4
152.99460	2.1
171.00526	0.9
215.70584	0.3
241.16399	0.4
277.21747	3.7
278.22031	0.5
502.29349	2.5
617.91577	0.4
657.82654	1.1
658.33636	1.1
659.25366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32141	0.4
56.33889	0.5
57.03301	0.5
59.01247	3.0
61.98685	0.8
69.03310	0.4
69.34454	3.8
69.34866	1.0
71.01247	2.0
72.58903	0.4
72.99128	0.5
78.95764	0.5
79.95594	0.6
85.02805	0.8
87.00728	0.9
89.02299	0.6
93.45775	0.4
96.95882	10.5
99.04382	0.8
101.02274	0.9
107.01225	0.8
109.02811	0.7
109.37367	0.4
111.02467	0.4
111.04409	0.5
111.08041	0.4
112.98689	0.6
113.02329	0.8
116.92705	0.5
120.83273	0.5
121.06438	0.6
125.02341	3.0
133.02753	0.5
135.04391	1.9
136.05193	28.1
137.02318	0.8
137.05946	0.7
137.09544	0.7
147.07997	0.8
148.05190	0.5
149.00835	0.4
149.05954	5.4
150.06757	16.7
151.00282	1.0
151.07271	0.8
162.06752	3.2
163.07538	3.4
164.08325	5.7
165.09125	11.0
178.09903	0.4
179.05544	0.5
179.07056	0.6
179.10684	5.5
207.66150	0.5
209.11743	1.3
211.13458	0.5
241.09836	0.7
251.20018	0.6
257.12894	3.7
261.11298	0.6
265.21692	0.6
301.11990	3.2
313.23959	1.0
315.16049	0.6
315.21786	3.9
329.23309	5.1
330.23404	0.6
343.15253	0.6
369.13486	0.6
370.13965	0.5
376.32779	0.5
392.78818	0.4
416.29279	1.1
431.31421	1.2
434.30316	4.2
435.30743	0.8
448.31851	1.4
449.32693	14.0
450.32803	1.5
476.31418	1.0
477.32108	3.2
478.33008	0.5
494.32434	4.6
495.17416	2.5
495.33252	34.2
496.33450	3.3
657.38501	100.0
658.38843	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	657.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97211	0.6
59.01244	2.5
61.98703	1.0
68.99683	2.6
69.87560	3.7
71.01250	1.8
72.99164	1.1
78.95779	1.0
79.36986	0.7
79.95628	0.7
85.02808	0.9
87.00719	1.0
93.03340	1.4
95.01267	0.8
96.95890	14.1
98.20570	0.6
101.02351	0.7
109.02839	1.6
112.98674	0.7
119.04915	3.3
120.99544	2.6
121.02823	2.5
123.00759	2.4
123.04427	1.9
125.02338	2.9
133.02866	1.3
135.04430	1.2
137.02347	1.9
138.03094	4.7
139.03946	1.2
145.02849	0.8
149.01097	0.8
149.02356	5.8
151.00255	0.9
153.01816	2.0
153.05484	4.9
157.50902	0.6
161.02330	1.0
163.03932	1.6
165.01836	9.0
166.02467	0.7
168.04196	6.9
175.00316	1.7
176.01036	3.9
177.01855	52.4
178.02567	5.2
179.03394	1.1
180.04240	3.5
191.03438	3.8
191.05565	2.6
192.04214	70.6
193.01421	4.8
193.04907	7.7
195.06567	3.8
207.06573	100.0
208.03732	9.0
208.06812	5.0
209.11761	0.8
223.06071	14.2
224.06453	0.9
225.07596	0.8
255.03012	1.4
259.01257	0.7
281.74829	0.7
283.02545	1.6
284.03152	0.8
285.03934	1.1
286.01111	0.6
300.02802	0.8
349.85257	0.6
357.09848	2.2
377.12408	1.1
449.14520	16.2
450.14731	2.5
646.39514	0.7
657.15833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48208	0.8
53.76335	0.7
54.52514	0.9
61.65590	0.7
68.66422	0.8
72.65703	1.0
78.95776	2.6
80.96395	5.0
86.69902	0.9
99.92447	1.6
115.91972	4.4
116.91985	1.9
116.92731	4.5
117.92737	1.3
125.02318	0.8
152.12729	0.9
164.98592	1.0
178.41765	0.9
189.80943	1.0
290.22012	0.9
373.09506	2.4
494.37067	0.9
555.28308	2.1
573.16779	2.7
656.25104	100.0
657.25146	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	657.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97211	0.6
59.01244	2.5
61.98703	1.0
68.99683	2.6
69.87560	3.7
71.01250	1.8
72.99164	1.1
78.95779	1.0
79.36986	0.7
79.95628	0.7
85.02808	0.9
87.00719	1.0
93.03340	1.4
95.01267	0.8
96.95890	14.1
98.20570	0.6
101.02351	0.7
109.02839	1.6
112.98674	0.7
119.04915	3.3
120.99544	2.6
121.02823	2.5
123.00759	2.4
123.04427	1.9
125.02338	2.9
133.02866	1.3
135.04430	1.2
137.02347	1.9
138.03094	4.7
139.03946	1.2
145.02849	0.8
149.01097	0.8
149.02356	5.8
151.00255	0.9
153.01816	2.0
153.05484	4.9
157.50902	0.6
161.02330	1.0
163.03932	1.6
165.01836	9.0
166.02467	0.7
168.04196	6.9
175.00316	1.7
176.01036	3.9
177.01855	52.4
178.02567	5.2
179.03394	1.1
180.04240	3.5
191.03438	3.8
191.05565	2.6
192.04214	70.6
193.01421	4.8
193.04907	7.7
195.06567	3.8
207.06573	100.0
208.03732	9.0
208.06812	5.0
209.11761	0.8
223.06071	14.2
224.06453	0.9
225.07596	0.8
255.03012	1.4
259.01257	0.7
281.74829	0.7
283.02545	1.6
284.03152	0.8
285.03934	1.1
286.01111	0.6
300.02802	0.8
349.85257	0.6
357.09848	2.2
377.12408	1.1
449.14520	16.2
450.14731	2.5
646.39514	0.7
657.15833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.7
64.45817	1.3
71.01261	1.2
71.02375	1.5
71.58857	1.9
73.11562	1.1
74.49315	1.4
78.95782	1.4
85.05087	1.3
87.05511	2.3
96.95920	2.9
100.85816	1.2
101.02293	1.9
105.61655	1.3
110.03487	1.6
111.01890	1.4
113.03471	1.8
115.08661	3.1
118.06490	1.8
121.81571	1.2
125.07077	1.4
128.04633	1.1
129.10219	6.9
137.07063	1.5
139.08636	3.2
140.07042	1.2
141.06618	1.3
146.06006	3.6
151.07504	2.6
155.08128	3.5
155.11816	1.7
158.05937	1.7
165.10280	10.5
167.08116	1.6
172.10907	2.4
182.12848	8.9
186.05621	1.7
193.13409	6.4
200.14021	10.7
203.08180	5.2
207.10214	1.6
209.11787	10.1
210.15875	1.5
211.14801	2.0
220.10931	3.0
225.11046	1.8
227.12808	2.0
228.17105	4.9
238.19312	1.7
241.13269	2.8
254.14911	1.8
278.62811	1.4
281.19775	2.4
284.14084	3.8
295.21326	5.0
368.22879	2.2
395.78732	1.2
412.29047	2.1
415.23538	2.7
432.26147	2.4
454.70782	1.5
488.28543	2.0
599.35364	9.8
611.35425	1.7
655.38269	100.0
656.38519	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	655.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10981	2.0
59.01246	6.1
61.98679	2.5
71.56969	3.6
76.54182	2.1
82.95297	3.7
83.04922	2.5
87.05523	3.6
120.52311	2.1
129.10225	5.3
155.08217	2.6
165.10222	9.1
182.12901	7.5
186.05507	2.3
193.13306	4.2
200.13962	7.7
203.08119	3.2
209.11746	67.9
210.12099	6.6
211.14485	2.8
227.12906	4.1
227.98509	2.1
228.17097	5.5
241.15779	2.3
247.13286	2.5
281.19727	4.1
295.21188	3.5
334.85162	2.2
432.26099	2.2
507.64990	2.3
599.35590	9.5
611.35352	3.5
655.38196	100.0
656.38519	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	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01257	0.3
71.01273	0.2
74.26335	0.2
83.04906	0.3
96.34895	0.2
96.95884	2.5
99.00617	0.2
107.26573	0.2
111.04373	1.0
123.04428	0.3
127.11192	1.6
133.02847	0.3
143.10530	0.2
155.14333	0.5
165.05528	0.2
167.14238	0.3
171.10194	3.0
173.13254	0.6
175.07526	0.4
183.13826	0.5
185.15361	0.2
193.04996	0.2
195.13861	0.4
205.71005	0.2
213.14905	3.1
215.51266	0.2
217.12267	2.4
217.59592	0.2
218.63496	0.2
229.14403	2.0
229.26347	0.2
230.14822	0.2
231.15974	100.0
232.16325	5.5
254.63800	0.2
261.11301	5.4
262.11688	0.2
271.57651	0.2
300.81906	0.2
361.76514	0.2
406.40228	0.2
655.17114	1.9
656.17450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23622	0.8
55.01752	1.1
57.03322	2.0
58.00448	1.4
59.01248	7.4
71.01250	5.8
71.59016	1.0
72.99206	1.1
73.02813	2.0
78.95768	2.9
79.95600	10.9
80.96394	1.9
83.04868	1.2
85.02817	3.6
87.00735	2.2
89.02306	3.0
93.03325	2.4
95.01243	0.9
95.95113	4.7
96.95885	100.0
97.02796	0.8
99.49468	0.8
101.02313	2.7
106.04138	1.6
107.04915	4.6
108.02052	1.9
109.02823	1.8
112.98627	1.2
113.02311	3.2
121.02839	3.2
121.06477	1.4
122.03621	2.1
123.03641	1.4
123.04422	14.4
133.02847	9.2
135.04401	3.5
136.05197	35.5
137.02386	1.1
137.05869	1.5
137.09512	0.9
139.03859	5.4
147.04425	1.0
147.08049	2.2
149.02345	13.7
149.06033	6.7
150.06792	6.0
151.03876	3.8
152.99484	2.0
162.06746	2.8
163.07494	1.6
164.08360	4.0
165.05452	5.7
165.09108	17.0
167.03368	1.0
171.10222	1.1
175.03874	1.7
179.07060	1.0
179.10721	1.2
193.04977	5.4
209.04451	3.3
209.11766	5.8
210.12213	0.8
211.13298	3.8
229.14352	2.4
261.11230	1.1
281.21301	1.5
327.21735	26.4
328.22046	1.1
344.21179	1.0
395.14685	1.2
396.77643	1.0
429.29880	1.9
432.28683	3.1
446.71991	0.9
447.31281	12.3
448.31509	1.6
475.30585	3.3
492.30927	2.5
493.31696	25.8
494.31766	3.1
540.52466	0.9
655.17126	67.7
655.36859	82.5
656.17267	14.6
656.37036	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69183	1.1
59.01252	100.0
69.29463	2.7
69.29879	8.0
70.99465	1.0
71.01241	1.2
78.95781	7.9
89.79111	1.2
92.58991	1.0
96.96871	1.2
103.91918	1.2
106.35107	1.1
113.00874	1.2
118.29248	1.0
124.68250	1.1
141.01595	67.5
142.02000	1.3
152.99486	4.4
181.65643	1.0
204.27223	1.1
209.11786	1.3
275.06305	3.2
277.21805	1.8
289.09427	1.0
307.01077	1.2
317.07150	1.2
339.00162	3.4
359.21317	1.5
391.19604	2.2
504.10876	1.2
535.27686	3.5
540.23987	1.3
595.29498	2.4
600.52319	1.1
664.84839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32891	1.1
59.01251	100.0
60.01592	1.2
61.04395	0.8
63.47463	0.9
71.01248	1.4
71.58505	1.2
78.34026	0.8
78.95776	3.7
96.95869	0.8
96.96852	0.9
97.02850	1.0
101.00813	1.5
103.91896	1.3
104.92671	0.8
115.18180	0.8
124.26972	0.7
141.01601	61.5
142.02022	1.0
149.25389	0.9
152.99472	1.5
171.94536	2.6
173.02980	1.3
180.07916	1.0
201.02509	1.0
233.06708	0.8
238.62106	0.9
241.19978	0.8
257.05209	0.9
275.06113	8.3
277.21704	3.6
298.61160	0.9
325.02063	0.8
339.00220	2.4
339.61539	1.0
359.21838	1.6
366.07050	0.9
391.19647	2.4
535.27576	6.6
536.27570	1.2
595.29370	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	655.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
58.00436	0.9
59.00986	0.6
59.01250	8.4
71.01256	5.5
71.58463	0.7
72.99178	0.5
73.02811	1.6
79.95600	4.4
80.96384	1.4
83.01274	1.0
85.02826	2.4
87.00751	1.0
89.02307	2.8
93.03315	1.0
95.01292	0.5
95.04868	0.5
95.89483	0.4
95.95106	2.1
96.95885	100.0
97.02813	0.7
98.95469	1.8
99.00769	0.7
101.02307	4.0
106.04109	2.4
107.04922	5.4
108.02051	1.6
112.98698	0.6
113.02325	3.9
119.03363	0.9
119.04918	0.9
119.08561	0.8
121.02862	1.3
123.04390	6.5
131.04907	0.8
132.02034	0.6
133.02849	15.6
134.03139	0.6
135.04391	0.7
147.04411	0.9
147.08058	5.2
149.00772	0.6
151.03920	6.5
161.40599	0.4
163.03889	0.7
165.05476	13.4
175.03915	2.6
193.04984	7.9
194.05312	0.6
236.91096	0.5
261.11301	0.9
316.23422	0.4
341.07004	1.6
503.12274	1.1
642.61810	0.6
655.16956	83.2
656.17230	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	655.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56927	0.4
56.39536	0.3
58.00468	0.7
59.01256	5.8
61.98724	0.5
71.01251	4.7
72.99197	0.5
73.02824	1.4
79.95608	5.2
80.95946	0.4
80.96411	0.8
83.01261	0.5
85.02820	1.7
87.00767	0.4
89.02316	2.5
93.03306	0.7
95.01266	0.7
95.04884	0.7
95.95074	1.9
96.95893	100.0
97.02815	0.4
97.95816	0.6
98.95457	3.6
101.02325	3.0
106.04124	2.1
107.04935	3.3
108.02077	1.0
113.02330	3.6
119.03413	0.6
119.04914	1.0
121.02885	0.8
123.04421	4.4
131.04868	0.4
133.02859	10.1
135.04466	0.6
138.03081	0.4
138.74045	0.4
145.67049	0.4
147.04478	0.8
147.08011	0.4
150.89906	0.4
151.03941	3.9
161.04520	0.4
161.72330	0.4
165.05504	6.7
166.05789	0.5
173.09665	1.2
175.03918	2.0
179.03394	0.5
183.54764	0.4
191.05513	0.6
193.05014	5.6
209.04439	0.5
216.99904	0.4
241.00029	0.5
245.08249	0.5
247.09807	0.7
255.03001	0.7
261.11292	0.5
300.02737	0.9
301.03372	1.2
302.03513	0.6
320.04391	0.4
337.03845	1.6
338.04080	0.5
355.04880	3.5
356.05301	1.2
357.04919	1.1
447.09421	2.0
448.09567	1.5
451.29324	0.5
503.12045	0.6
586.60040	0.5
595.33191	0.9
655.16998	64.2
656.17389	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	655.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
58.00436	0.9
59.00986	0.6
59.01250	8.4
71.01256	5.5
71.58463	0.7
72.99178	0.5
73.02811	1.6
79.95600	4.4
80.96384	1.4
83.01274	1.0
85.02826	2.4
87.00751	1.0
89.02307	2.8
93.03315	1.0
95.01292	0.5
95.04868	0.5
95.89483	0.4
95.95106	2.1
96.95885	100.0
97.02813	0.7
98.95469	1.8
99.00769	0.7
101.02307	4.0
106.04109	2.4
107.04922	5.4
108.02051	1.6
112.98698	0.6
113.02325	3.9
119.03363	0.9
119.04918	0.9
119.08561	0.8
121.02862	1.3
123.04390	6.5
131.04907	0.8
132.02034	0.6
133.02849	15.6
134.03139	0.6
135.04391	0.7
147.04411	0.9
147.08058	5.2
149.00772	0.6
151.03920	6.5
161.40599	0.4
163.03889	0.7
165.05476	13.4
175.03915	2.6
193.04984	7.9
194.05312	0.6
236.91096	0.5
261.11301	0.9
316.23422	0.4
341.07004	1.6
503.12274	1.1
642.61810	0.6
655.16956	83.2
656.17230	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	655.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
71.01242	0.6
73.02809	0.3
74.68434	0.2
78.95770	2.8
79.95607	3.1
85.02828	0.3
87.00751	0.4
89.02294	0.3
93.03313	0.3
93.48281	0.2
95.95071	0.3
96.95885	100.0
96.96874	3.3
97.95818	0.2
98.02363	0.2
101.02336	0.4
107.04946	0.3
107.68919	0.2
109.02805	0.2
112.98718	0.5
113.02285	0.3
116.69588	0.1
119.03425	0.2
123.04385	0.8
131.04848	0.2
133.02844	0.8
135.04378	0.2
136.05199	1.4
139.03864	0.2
147.04485	0.2
147.08037	0.3
149.02342	1.0
149.05975	0.6
150.06738	3.7
151.03888	0.5
152.99442	0.3
156.84959	0.2
163.07533	0.6
164.08308	0.8
165.05473	0.6
165.09113	0.6
179.03477	0.2
179.10670	1.1
193.05019	0.6
209.11710	1.2
217.12306	0.3
252.03812	0.2
261.11264	0.2
313.20154	0.7
327.21771	0.6
388.99811	0.2
429.29999	0.3
432.28516	0.5
447.31143	0.7
467.01993	0.2
475.30740	0.3
492.30688	0.2
493.31625	3.6
497.97787	0.2
579.22406	0.2
591.24963	0.3
598.94360	0.2
611.34698	0.2
623.28638	0.2
655.16772	6.2
655.36847	9.8
656.16992	0.9
656.36798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64447	1.2
53.65395	1.3
58.72683	1.4
59.01266	2.7
68.99574	1.2
70.91197	1.3
71.01217	1.8
74.43804	1.2
78.95768	1.9
78.98485	1.2
80.96396	7.3
85.02817	1.6
92.13198	1.4
112.98694	1.5
152.99554	2.2
164.98628	2.3
188.09091	1.3
197.02145	10.4
210.48174	1.5
225.00583	2.3
277.21347	1.7
323.93372	1.5
455.35275	100.0
456.35583	15.6
507.91147	1.4
524.96747	1.9
577.26886	10.2
578.27118	1.8
579.26947	3.3
595.29187	2.3
653.38263	26.6
654.38416	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56908	0.5
51.31732	0.4
58.00456	0.8
59.01250	6.8
61.98700	1.0
64.27917	0.4
69.03329	0.5
69.75094	1.6
69.75510	0.9
70.12996	0.4
71.01249	5.1
72.99159	0.5
73.02812	1.3
79.95605	6.8
80.96383	1.4
82.04173	0.4
85.02827	2.3
85.73025	0.4
87.00755	0.8
89.02319	2.5
91.81092	0.5
93.03336	1.1
95.01263	1.3
95.04887	1.0
95.95098	2.8
96.95885	100.0
97.02794	0.5
98.95454	0.8
99.00768	0.7
101.02312	3.7
106.04120	1.9
107.04923	4.1
108.02055	1.9
109.02839	0.9
113.02337	2.9
119.03380	1.3
119.04913	0.9
121.02869	0.8
123.04404	5.2
124.04803	0.4
125.02330	0.4
133.02843	13.3
134.03362	0.4
135.04402	0.8
138.03149	0.5
151.03918	5.5
161.04477	0.6
161.05887	0.4
165.05486	10.3
166.05792	0.5
175.03949	2.8
179.05574	1.1
191.05510	1.2
193.04976	7.0
207.06645	0.5
217.12418	0.6
221.69412	0.5
251.85008	0.5
261.11230	0.9
263.88062	0.5
297.08221	0.5
337.87888	0.5
341.07050	1.2
357.06549	0.6
447.09445	0.8
655.16986	68.2
656.17444	10.9
677.24365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22560	0.3
55.01753	1.5
57.03322	1.1
58.00460	2.4
59.01247	44.3
60.01581	0.6
61.18592	0.3
64.40704	0.3
67.01764	0.4
68.99687	0.6
69.03319	2.6
71.01248	39.1
72.01593	0.3
72.99178	3.3
73.02816	6.0
75.00763	1.0
78.95787	0.8
81.03326	1.8
81.30789	0.3
83.01254	4.5
83.04894	0.3
85.02818	8.6
87.00742	9.4
87.01260	0.6
89.02311	34.8
90.02669	0.3
91.03918	0.4
93.03316	0.5
95.01257	3.1
97.02824	7.3
98.03163	0.4
99.00738	2.3
99.04431	0.5
101.02316	30.2
102.02657	0.8
103.00224	0.4
103.03880	0.4
109.02851	1.1
111.00786	0.6
111.04375	1.4
113.02322	15.6
115.03891	0.8
119.03386	10.9
121.02853	0.7
123.00755	0.3
123.04416	0.3
125.02325	12.9
126.02570	0.4
127.03920	0.5
129.01788	0.3
131.03400	2.2
133.04977	1.2
137.02336	0.5
139.03918	1.5
141.01830	0.8
141.08386	0.3
143.03401	6.3
149.04468	1.1
161.04453	7.3
167.03423	0.8
169.04999	0.5
174.23740	0.3
179.05530	6.5
185.04424	0.6
199.06053	0.5
203.05592	0.3
217.07130	1.0
221.06598	2.7
235.08179	13.9
236.08574	0.7
245.06500	0.6
253.09254	3.4
255.23250	100.0
256.23596	8.0
263.07724	1.2
269.24847	1.0
277.09286	0.9
287.07700	3.4
297.24243	0.3
305.08774	4.2
323.09747	1.8
361.11450	0.7
379.12247	1.6
397.13477	77.4
398.13745	5.4
415.14536	29.9
416.14850	2.4
550.38043	0.3
653.38049	0.7
678.22479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64961	1.5
59.01250	100.0
63.22790	1.6
71.01243	3.0
71.13496	4.2
78.95763	3.9
80.96389	5.1
103.91878	2.3
112.82791	1.6
141.01593	61.6
157.80412	1.9
164.98418	1.8
171.94504	5.6
225.00552	1.6
230.42595	1.9
275.06189	5.5
290.00940	2.5
324.91525	1.7
339.00107	3.6
357.20676	1.7
455.35590	2.3
533.25897	3.6
551.02905	1.7
570.19775	1.7
577.26764	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	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03329	1.3
58.00467	2.0
59.01250	43.0
68.99689	0.8
69.03319	2.8
69.65252	2.2
71.01252	35.2
72.86526	0.3
72.99175	3.1
73.02818	5.7
75.00759	0.9
78.95773	2.0
81.03336	1.6
83.01259	4.4
85.02821	8.2
85.99958	0.5
87.00751	9.0
87.04432	0.3
89.02316	30.8
90.02647	0.7
91.03901	0.7
93.03384	0.3
95.01263	2.7
97.02829	6.2
99.00768	1.7
99.04398	0.5
101.02324	29.5
102.02669	0.4
103.03876	0.3
109.02814	0.8
111.00774	0.9
111.04386	1.2
112.01504	0.4
112.99637	0.3
113.02330	15.3
114.02647	0.3
115.03912	0.6
118.99293	0.3
119.03387	9.6
119.04241	0.5
120.41439	0.3
121.02837	0.8
123.04404	0.7
124.01582	0.4
125.02330	13.7
126.02736	0.3
127.03963	0.3
131.03381	1.7
133.04967	1.1
139.03903	0.9
141.01862	0.5
143.03403	5.8
149.04482	0.9
151.04042	0.3
152.99507	1.2
161.04454	6.6
167.03423	0.7
169.05000	0.4
171.02866	0.7
179.05540	5.9
185.04465	0.3
199.06087	0.5
203.05634	0.4
217.07118	0.6
221.06639	2.0
223.13312	0.4
235.08197	13.7
245.06602	0.8
253.09264	2.9
255.23267	100.0
256.23615	7.2
257.71152	0.4
263.07751	1.4
269.24963	0.6
277.09326	1.0
287.07693	3.6
304.40128	0.4
305.08777	3.6
323.09744	1.4
361.11444	0.5
376.77292	0.3
379.12344	1.0
397.13486	82.4
398.13797	5.9
410.40768	0.4
415.14557	29.4
416.14749	2.1
471.34924	0.4
571.28809	0.9
653.37006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53974	0.5
57.03326	1.6
59.01250	42.1
69.03342	0.7
69.92492	3.4
71.01252	8.3
71.42832	0.6
72.99169	1.2
73.02821	5.8
83.01279	2.9
83.53295	0.6
85.02825	2.8
87.00756	0.8
89.02312	6.6
95.01257	0.8
95.04916	0.9
96.95891	4.2
101.02320	7.2
113.02311	5.2
119.03368	2.7
125.02315	1.7
129.01823	0.7
131.03363	0.8
135.04419	0.8
139.11188	20.6
140.11536	0.7
143.03413	1.2
161.04453	1.2
163.11247	1.9
165.09111	1.2
179.05455	1.2
181.12262	11.5
182.12549	0.6
183.10194	22.0
184.10526	1.2
187.52295	0.6
199.13335	6.3
201.26035	0.6
207.10175	1.0
207.13809	1.0
209.11755	2.1
225.11256	9.6
225.14888	1.6
226.11652	0.6
227.12808	6.4
243.12341	100.0
244.12712	5.8
249.11301	1.7
267.12332	0.8
269.13983	3.1
279.91754	0.6
285.13470	5.0
286.13965	0.6
287.14987	17.5
288.15543	0.9
329.16074	1.2
345.15942	0.7
389.18182	0.8
405.17624	7.4
406.17731	0.7
429.17474	1.2
447.18683	28.3
448.19119	3.2
449.20160	3.4
459.61627	0.6
491.21460	2.7
624.71710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27317	1.1
59.01248	8.1
67.80640	0.8
69.68223	0.9
71.01256	2.1
71.58086	0.9
78.95776	1.4
85.02834	1.4
87.00765	1.6
87.04386	72.3
88.04716	1.3
92.83725	0.9
95.58212	0.9
101.02315	2.4
101.05958	100.0
102.06289	1.1
113.02322	2.0
127.03888	1.0
166.63562	1.2
231.53281	0.9
240.60287	1.0
277.21899	1.1
291.18015	7.4
304.08081	0.9
353.20270	1.0
362.29999	0.9
401.21698	1.4
407.06009	1.0
419.22791	2.6
507.28033	2.2
527.10687	1.1
651.40936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1546
Annotation	L-161,982
Peak:m/z	Relative Intensity
52.42657	0.5
55.96217	0.4
58.00460	0.5
59.01249	2.0
69.28249	4.0
71.01246	2.2
73.02847	0.7
79.57186	0.4
79.95607	3.4
80.96406	1.2
84.25898	0.4
85.02827	0.6
88.29945	0.5
89.02319	1.0
93.03339	0.7
95.95114	1.2
96.95895	100.0
101.02325	1.9
106.04128	1.8
107.04906	3.1
108.02089	0.5
113.02317	1.8
119.03345	0.6
121.02830	0.6
121.06484	1.3
123.04412	2.3
133.01962	0.7
133.02858	7.9
135.08067	1.2
147.04425	0.6
151.03902	2.9
159.85190	0.4
163.07568	0.6
165.05489	5.6
171.08034	0.6
173.09654	1.3
175.03934	1.8
193.04994	4.7
197.09608	0.9
210.69266	0.4
215.10713	1.6
236.51126	0.5
254.18365	0.4
259.09821	0.9
265.05789	0.5
295.06531	0.9
339.05472	3.7
389.43835	0.5
469.27182	0.5
501.10623	0.7
653.15472	77.4
654.15863	9.6
654.24908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01597	0.7
71.01250	2.6
71.57830	0.4
75.18973	0.3
78.95763	4.2
83.44836	0.3
85.02834	0.9
87.00763	0.4
89.02307	3.5
96.95882	0.7
101.02319	1.8
102.43313	0.4
113.02364	1.5
119.03395	2.0
122.98445	0.8
127.85410	0.4
152.99498	0.5
161.04518	0.4
178.45087	0.4
179.05566	0.5
211.37895	0.3
277.21732	0.6
340.94662	0.4
395.38550	0.4
458.14932	0.4
508.47684	0.4
648.82825	0.7
649.33887	0.4
649.83490	0.7
650.33429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20329	0.7
56.42347	0.8
57.03321	0.8
58.00460	2.2
58.52905	0.7
59.01236	2.0
71.01251	2.7
71.18074	1.5
73.02812	1.0
78.95766	4.3
79.70615	0.7
91.05512	0.7
99.04368	0.8
111.00528	1.5
113.02174	0.9
117.03339	1.1
125.09618	6.6
127.11175	9.3
128.11507	0.7
137.09633	1.3
137.75542	0.7
139.11192	0.9
141.09099	7.8
143.10667	1.8
145.02812	3.6
146.03218	1.5
152.99454	0.8
155.10674	4.2
165.05286	0.9
165.09000	4.3
167.10435	1.1
171.10179	10.5
180.03990	1.0
181.08337	4.3
183.09970	7.1
191.06842	1.0
193.08388	39.5
194.08708	2.2
195.09962	6.1
197.07761	1.0
197.10262	0.9
199.09729	2.9
201.11250	54.1
202.11629	2.4
209.07860	2.5
221.07915	2.4
222.08626	1.9
223.09473	76.5
224.09789	3.0
225.07378	3.1
227.09012	5.5
239.08969	3.7
241.06900	1.6
241.09253	11.6
242.09526	1.2
249.22353	0.9
267.08508	5.8
277.21722	6.1
295.22739	4.7
299.20041	1.4
311.22162	1.3
313.23828	100.0
314.24152	8.4
315.19528	0.9
315.24512	1.6
317.20923	20.4
318.21277	1.4
331.18884	3.1
333.20438	0.9
335.22015	76.4
336.22321	5.6
353.21613	1.6
361.20004	2.8
379.21072	7.4
380.21542	0.8
482.84637	0.9
559.16553	0.8
649.36444	2.7
649.46234	24.3
649.82324	2.0
650.46484	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	649.3957
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01746	1.1
56.39159	0.3
57.03328	4.6
59.01254	4.8
61.29565	0.3
61.98674	0.3
67.01756	0.9
68.99697	0.4
69.03322	0.4
71.01253	6.4
72.99187	3.1
73.02793	0.9
75.00747	29.6
78.88564	0.3
78.95808	0.7
83.01257	1.3
84.02048	0.5
85.02825	30.8
86.03162	0.4
87.00753	3.5
89.02305	0.8
95.01276	2.1
96.95891	1.6
99.00775	2.9
101.02314	0.6
109.06473	1.3
111.00755	0.4
112.01548	0.9
113.02333	21.4
114.02668	0.7
115.00235	1.3
116.01054	2.8
117.01827	1.1
129.01816	0.7
132.75629	0.3
139.00313	0.3
154.24272	0.3
157.01328	1.7
175.02368	1.1
227.66316	0.3
259.97968	0.4
290.27698	0.3
383.53989	0.3
397.30847	0.4
419.04782	0.3
425.34113	0.6
441.33881	0.4
473.36868	0.4
501.32129	0.6
622.13409	0.3
649.39563	100.0
650.39929	17.3
650.51135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23877	0.3
59.01247	100.0
60.01587	1.3
70.16104	1.4
71.01250	2.7
71.47466	0.3
78.95766	1.8
83.21749	0.3
85.02825	0.7
87.00721	0.3
89.02311	3.8
95.70383	0.3
101.02318	1.6
113.02369	1.2
119.03374	1.7
161.04465	0.5
179.05522	0.7
231.83725	0.3
266.46729	0.3
272.25159	0.4
284.03281	0.7
285.04095	0.5
348.65579	0.4
356.13226	0.3
648.84161	0.6
649.33997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01576	0.6
71.01244	2.7
78.95762	2.0
83.09174	0.3
85.02816	0.7
85.14834	0.3
89.02312	3.5
95.01243	0.4
98.20542	1.0
101.02326	1.4
113.02356	0.9
119.03374	1.6
179.05611	0.6
244.85390	0.3
247.21706	0.3
256.32523	0.4
364.40829	0.3
621.04828	0.4
648.83807	0.8
649.34845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03319	5.3
59.01247	9.5
70.73009	2.5
71.01257	7.5
72.99158	2.8
73.02802	2.2
75.00742	27.1
78.95791	3.1
79.95599	2.5
83.01244	1.7
85.02821	29.2
87.00747	3.6
89.02277	1.0
95.01233	1.1
96.95885	72.0
98.67754	1.1
99.00758	2.7
113.02327	19.2
116.01024	2.3
135.04495	1.6
157.01357	1.0
179.18605	1.1
191.05573	3.4
260.85812	1.0
284.03391	1.2
351.05240	1.1
386.83514	1.2
404.20963	2.1
407.33051	1.2
561.35577	1.2
639.82880	1.2
649.39618	100.0
650.40051	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	649.3959
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01756	1.1
57.03036	0.3
57.03321	4.8
57.56259	0.1
58.00484	0.1
59.01247	2.9
61.98729	0.1
67.01768	0.6
68.99677	0.5
69.03327	0.4
71.01251	6.2
71.04886	0.2
72.99181	3.0
73.02805	1.0
75.00744	30.8
76.01062	0.1
78.95782	0.2
79.95615	0.2
83.01254	1.3
84.02038	0.5
85.02821	33.4
86.03160	0.7
87.00745	2.9
89.02322	0.5
95.01261	2.6
96.95892	3.7
99.00751	2.9
99.04375	0.3
101.02308	0.3
101.05989	0.3
103.00284	0.1
104.33816	0.1
111.00740	0.5
112.01544	0.9
112.98701	0.2
113.02325	20.9
114.02664	0.5
115.00270	1.1
116.01043	3.3
117.01838	0.8
129.01837	0.9
130.99736	0.3
139.00217	0.2
139.11159	0.1
157.01337	1.8
175.02394	1.3
179.03490	0.2
191.05539	0.3
217.12242	0.3
261.11292	0.3
291.64191	0.1
387.16479	0.2
391.29962	0.2
407.29459	0.3
409.31104	0.3
423.32623	0.4
425.34351	0.8
439.32336	0.2
441.33710	0.3
453.33990	0.6
469.32977	0.5
471.34781	0.2
473.36539	0.9
474.37204	0.1
517.35272	0.4
631.38763	0.2
649.39496	100.0
650.39862	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	649.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07766	0.1
55.01754	1.5
57.03321	5.2
59.01245	2.2
67.01757	0.5
68.99680	0.7
69.03316	0.4
71.01251	5.3
71.13094	0.4
72.99178	2.9
73.02824	0.5
75.00742	28.6
76.01110	0.2
83.01244	1.0
83.70224	0.2
84.02035	0.5
85.02819	29.3
86.03144	0.4
87.00744	2.6
89.02307	0.4
95.01258	1.9
96.95878	0.7
99.00749	2.5
103.00250	0.2
111.00774	0.5
112.01529	0.7
113.02325	17.8
114.02647	0.4
115.00269	1.0
116.01044	2.4
117.01807	0.7
129.01854	0.8
130.99704	0.2
157.01288	1.5
175.02304	0.9
230.83244	0.2
259.41830	0.2
289.94907	0.2
309.56226	0.2
316.69534	0.2
425.34384	0.8
426.34579	0.2
453.33774	0.6
473.36359	1.3
631.38574	0.2
649.39496	100.0
650.39856	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	649.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03322	4.8
59.01251	2.4
60.46549	0.3
60.64814	0.3
63.77632	0.3
67.01767	0.3
67.86207	0.3
68.99699	0.5
69.98711	1.7
71.01249	5.1
72.99179	3.0
73.02824	1.2
75.00744	29.3
79.82639	0.3
83.01274	1.6
84.02068	0.6
84.53044	0.3
85.02819	30.2
86.03175	0.5
87.00758	2.3
89.02338	0.4
95.01253	2.5
96.95874	2.2
99.00750	2.4
112.01525	1.2
113.02328	18.1
114.02666	0.5
115.00233	1.2
116.01040	2.1
129.01781	0.8
132.29086	0.3
148.49680	0.4
157.01320	1.9
175.02394	1.2
255.64742	0.3
258.18256	0.3
312.20004	0.3
649.39526	100.0
650.39844	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	647.4165
Annotation	25-O-ethylcimigenol 3-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
50.05000	0.3
55.01755	1.7
57.03325	9.8
59.01242	1.4
66.37756	0.3
67.01762	0.6
68.99695	0.6
69.03329	0.6
70.81960	1.0
71.01255	3.6
78.95757	0.3
83.01254	2.1
84.02047	1.3
85.02823	60.1
85.99970	0.6
86.03168	0.7
87.00743	1.1
93.02670	0.3
95.01252	2.9
96.95849	0.4
111.00751	0.9
112.01559	2.3
113.02331	46.5
113.74619	0.3
114.02660	0.8
129.01778	0.5
147.14255	0.3
157.01309	0.8
194.93573	0.3
196.34639	0.3
391.30054	0.5
409.34286	0.4
437.34308	0.8
457.36707	1.3
469.33255	0.4
476.04105	0.3
601.33740	0.3
647.41650	100.0
648.41986	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	649.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72205	0.4
62.97309	0.4
68.07821	0.5
69.44070	0.8
69.44470	3.1
72.92716	0.4
79.95618	4.7
87.55103	0.5
95.95108	6.2
96.95885	100.0
98.20559	0.5
110.97450	3.3
141.95708	0.7
168.59135	0.4
195.06512	1.6
223.68565	0.4
259.02765	0.8
261.04263	0.9
275.02301	6.1
276.02731	0.5
289.03802	1.5
290.01593	0.8
290.04639	12.4
291.05295	1.5
303.05344	1.6
487.12878	5.1
501.47345	0.5
649.18030	41.4
650.18634	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	647.3796
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
51.08081	0.3
52.11792	0.3
55.01756	1.0
55.72617	0.3
57.03323	4.7
59.01247	3.3
60.78744	0.3
65.00469	0.3
67.01758	0.6
71.01250	6.2
72.99177	2.9
73.02792	0.6
75.00741	24.8
78.95735	0.4
83.01241	0.9
84.02052	0.6
85.02817	29.4
86.03166	0.6
87.00757	3.2
95.01250	2.2
96.95882	0.7
98.19781	1.2
99.00755	3.1
101.02309	0.4
109.06467	1.1
112.01521	0.6
113.02325	19.0
114.02673	0.6
115.00261	0.9
116.01030	3.3
117.01830	0.7
120.27729	0.4
129.01817	0.5
157.01297	1.2
175.02373	0.8
229.64333	0.5
292.04355	0.4
373.25122	0.9
391.26108	0.7
405.31601	0.7
423.32733	1.0
437.30707	0.6
443.79517	0.3
453.33691	1.3
471.34772	0.7
538.29169	0.4
647.37946	100.0
648.38269	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	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03320	5.7
58.03652	0.3
59.01248	3.1
67.01761	0.6
68.99694	0.6
69.03320	0.7
70.97145	0.2
70.97486	0.3
71.01248	7.5
72.99178	2.9
73.02820	0.8
75.00741	31.6
78.95756	0.4
83.01256	1.2
84.01588	0.2
84.02039	0.7
85.02818	33.6
86.03163	0.6
87.00744	3.2
89.02310	0.4
95.01255	3.0
96.95897	2.4
99.00753	3.3
101.02309	0.3
111.00768	0.5
112.01522	1.0
113.02325	21.9
114.02672	0.7
115.00272	0.9
116.01038	3.3
117.01866	1.1
121.02827	0.3
129.01804	0.7
130.99745	0.3
139.00258	0.3
157.01323	1.7
175.02370	1.2
183.62764	0.2
187.25232	0.2
191.05547	0.4
196.15816	0.2
373.28836	0.2
377.28357	0.8
390.27408	0.2
423.32748	0.9
425.30490	0.3
451.32059	0.5
453.34225	0.2
471.34430	0.7
546.13251	0.2
647.37933	100.0
648.38281	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	647.3797
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01756	1.3
57.03326	6.0
59.01257	2.5
66.84296	0.4
67.01739	0.4
68.99701	0.7
71.01256	5.8
71.44250	0.5
72.99181	2.8
73.02804	0.6
75.00745	31.5
83.01255	1.1
84.02025	0.6
85.02819	33.0
86.03164	0.5
87.00734	2.6
89.02359	0.6
89.73927	0.4
95.01254	2.3
96.95879	0.5
99.00751	2.9
105.04800	0.4
112.01512	1.0
113.02325	21.8
114.02637	0.5
114.86379	0.4
115.00253	1.0
116.01046	3.3
117.01817	1.4
117.38737	0.3
129.01837	0.7
157.01306	1.6
157.45471	0.4
159.07887	0.4
175.02368	1.3
194.42032	0.4
310.29727	0.3
358.56821	0.4
393.31207	0.4
407.29831	0.6
423.32837	2.8
451.32108	0.9
471.34799	0.9
629.36847	0.5
647.37946	100.0
648.38281	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	647.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51475	0.3
55.01747	1.0
57.03325	5.0
59.01247	3.5
67.01759	0.6
68.99680	0.6
69.03326	0.4
71.00884	0.5
71.01250	6.5
71.01646	0.3
71.13864	0.7
72.99177	3.5
73.02815	0.6
73.55025	0.3
75.00746	28.4
81.24849	0.3
83.01248	1.2
84.02057	0.4
84.09862	0.3
85.02823	33.4
86.03130	0.5
87.00754	3.6
89.03806	0.3
95.01260	2.7
96.95896	1.3
99.00747	3.4
99.04416	0.4
101.02299	0.4
101.05936	0.4
103.10023	0.3
109.30528	0.3
111.00784	0.5
112.01521	0.9
113.02328	19.4
114.02619	0.6
115.00248	1.2
116.00302	0.5
116.01039	3.7
117.01826	0.9
129.01833	0.7
134.40076	0.3
135.73831	0.3
139.00230	0.4
157.01376	2.1
169.24605	0.3
175.02397	1.0
186.96918	0.6
238.33698	0.3
239.36324	0.3
245.06520	0.3
275.36429	0.3
277.98227	0.3
320.91022	0.3
407.29413	1.2
423.32623	3.5
451.31924	0.6
471.34924	0.9
553.26904	0.3
647.37964	100.0
648.38348	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	647.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03322	3.5
59.01258	4.3
61.98696	0.6
67.01770	0.7
70.60295	1.0
70.60672	1.1
71.01253	4.6
72.99171	2.8
73.02793	1.1
75.00745	25.9
78.95756	0.7
82.09534	0.5
83.01276	0.9
83.04880	0.6
84.02045	0.6
85.02822	24.0
87.00744	2.5
95.01261	2.1
96.95870	0.7
99.00732	1.5
112.01546	1.4
112.98722	0.5
113.02325	11.7
115.00251	1.2
116.01021	1.3
116.92739	4.9
116.97141	3.5
117.01807	1.2
129.01813	1.0
157.01309	1.2
158.81267	0.5
175.02335	1.0
217.00183	1.1
271.61575	0.5
415.61157	0.5
446.59134	0.6
453.33734	1.9
471.34747	3.0
525.35754	1.5
553.35144	0.7
571.35913	0.8
647.37946	100.0
648.27557	0.9
648.38385	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	647.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27258	0.5
55.01739	1.0
55.77660	0.4
56.61711	0.5
57.03331	5.1
59.01255	5.1
68.99674	0.6
69.40409	1.0
69.40809	4.0
71.01260	6.2
72.99181	2.3
73.88295	0.5
75.00746	23.1
78.95764	1.4
83.01237	0.8
84.02032	0.6
85.02823	28.9
87.00755	3.7
89.02265	0.6
95.01257	1.7
96.95896	4.6
96.96889	0.6
99.00755	2.3
99.26900	0.5
109.06481	1.9
112.01572	0.8
113.02325	19.5
115.00265	0.9
116.01017	3.4
117.01810	1.2
129.01784	0.7
153.62366	0.5
154.43411	0.6
157.01340	1.6
161.55780	0.5
175.02396	0.7
183.66046	0.5
191.05481	0.6
205.53467	0.5
217.00082	0.7
407.29178	0.7
423.32864	2.5
451.31992	0.8
471.34973	0.6
483.60370	0.6
549.00763	0.7
647.37970	100.0
648.38354	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	647.3796
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01749	0.7
55.10261	0.5
57.03322	4.7
59.01240	2.2
60.99172	2.2
68.99659	0.7
69.03310	0.6
70.28235	0.6
70.28574	2.1
71.01253	4.0
72.99180	2.3
75.00745	19.0
81.23859	0.7
83.01258	1.5
85.02816	21.8
87.00728	1.9
95.01252	2.2
96.95912	0.5
99.00757	2.2
112.01558	1.4
113.02316	11.2
115.00171	0.7
116.01051	2.0
117.01782	0.8
129.01828	0.6
157.01340	0.8
161.52649	0.6
175.02379	0.9
189.69377	0.5
309.01727	0.6
358.24139	0.5
407.33197	1.6
431.78046	0.7
469.32993	0.7
471.34668	10.2
472.35153	1.4
490.60956	0.6
525.36005	1.2
527.34229	0.6
571.36432	4.7
647.37946	100.0
648.38281	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	647.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
57.03331	5.4
59.01242	2.5
62.00586	0.4
65.48417	0.4
68.99697	0.6
69.03319	0.5
71.01252	6.2
71.06628	0.6
71.06950	0.5
72.99178	2.1
73.02801	1.0
75.00748	27.1
79.36340	0.4
82.46535	0.4
83.01261	1.1
84.02013	0.5
84.52459	0.4
85.02825	28.2
87.00761	3.1
87.77051	0.3
89.02289	0.4
95.01270	1.9
96.95878	1.5
99.00759	2.4
101.85194	0.3
107.04877	0.3
112.01537	1.1
113.02333	18.5
115.00246	1.1
116.01059	2.8
117.01834	0.5
123.49696	0.4
129.01811	1.0
157.01331	1.6
163.96404	0.3
174.12773	0.3
175.02354	1.1
244.06560	0.4
263.87534	0.4
366.22974	0.4
377.28122	0.4
398.84323	0.3
399.36786	0.4
471.34634	1.7
525.35156	0.6
571.37134	0.8
581.78436	0.4
647.37988	100.0
648.38422	17.0
663.33405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
59.01249	70.7
69.03302	2.9
69.25921	25.2
71.01248	42.4
73.02829	12.3
78.95754	4.2
79.95582	3.0
83.01252	4.5
85.02814	25.4
87.00753	4.2
89.02296	15.4
95.01192	4.6
96.95884	100.0
98.19707	5.4
99.00741	5.4
101.02320	25.5
101.38453	2.5
109.06483	4.9
113.02348	20.7
116.92702	2.7
125.02341	3.7
133.02826	3.1
133.62379	2.2
143.03424	4.0
161.04433	9.6
165.95511	2.4
191.05516	6.0
194.10965	2.7
227.03572	3.2
255.02966	31.1
283.02457	53.2
284.03027	5.8
285.04001	26.1
399.23911	5.9
430.08948	16.4
431.09631	7.3
543.28088	61.8
544.28229	8.0
561.29059	50.7
562.29065	7.1
603.29907	3.0
610.06964	2.9
647.16052	22.1
648.16748	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	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03312	1.3
59.01247	27.0
63.02278	0.4
65.00207	0.6
66.06612	0.3
69.03312	0.4
69.26060	4.1
71.01250	15.8
72.99177	0.7
73.02814	4.0
83.01257	2.6
83.03927	0.4
85.02820	8.5
85.99947	0.3
87.00745	0.8
89.02316	5.4
93.03333	0.9
95.01249	2.0
96.95896	3.4
97.02826	0.9
99.00739	1.7
101.02321	9.2
101.80884	0.3
107.01262	1.0
111.00754	0.6
113.02322	8.4
117.03336	1.5
119.03370	1.2
124.01559	0.5
125.02335	1.1
129.01770	0.7
133.24571	0.4
136.52083	0.4
143.03418	1.4
143.04945	0.4
151.00253	1.4
154.04166	0.6
155.04930	0.8
159.03017	0.6
159.04427	1.2
161.04486	2.0
165.01851	0.4
169.01221	0.4
169.06473	1.1
171.04404	0.4
173.02356	0.5
179.05617	0.4
182.03610	0.5
183.04434	4.9
185.02356	0.8
185.06084	0.5
187.03987	0.7
189.05475	0.9
192.69293	0.4
199.03815	0.6
205.78658	0.4
211.03914	3.1
213.05487	1.2
214.02666	0.8
215.03435	0.7
227.03424	4.8
229.04955	0.7
239.03595	0.8
243.03146	0.4
253.04712	0.4
255.02953	52.4
256.03357	5.0
257.04535	1.0
283.02460	100.0
284.02835	10.5
285.04025	30.9
286.04385	2.7
381.22842	1.1
399.23886	2.5
430.08994	29.9
431.09720	18.0
431.14365	0.3
432.09869	1.7
460.61639	0.4
501.10321	3.3
543.28070	21.8
544.28528	3.5
561.29089	18.1
562.29510	2.4
603.30237	1.6
647.16113	33.4
648.16498	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	645.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.3
63.78354	2.6
71.01247	4.7
71.58402	4.7
75.98996	2.2
93.03329	2.4
95.04898	4.1
96.95878	3.0
97.06442	17.8
99.08017	7.1
109.06451	3.9
112.98708	2.6
113.09558	2.6
125.05917	4.2
127.07555	3.4
137.05945	5.3
139.11177	2.8
143.07008	32.2
149.13251	5.4
155.07014	8.1
157.08617	4.4
165.05226	8.3
171.09966	2.5
173.08124	16.5
177.12718	3.1
179.06790	7.2
195.06291	22.7
203.68282	2.5
209.11778	7.6
239.05272	3.6
247.20627	9.1
275.20160	6.8
276.09579	3.3
293.21219	32.7
311.22244	93.0
312.22498	14.2
315.19379	100.0
316.19705	7.4
329.17300	7.5
359.18420	6.3
408.00876	2.8
423.27374	5.6
645.32977	6.2
645.43060	46.9
646.43335	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	645.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00163	1.0
53.15126	1.2
54.80625	1.1
58.41171	1.1
59.01256	1.2
59.14666	1.2
61.98709	1.3
70.24803	1.4
75.24166	1.0
78.95789	2.7
87.21249	1.0
96.95857	1.9
98.19814	2.1
105.39035	1.2
127.11180	1.6
158.58711	1.0
171.10236	1.8
194.43204	1.2
201.11249	10.7
223.09424	1.3
233.11581	1.8
240.71072	1.1
249.39932	1.1
289.25314	1.1
295.22836	1.5
301.18073	29.9
302.18515	2.8
311.22281	4.4
313.23807	25.8
314.24045	1.8
329.23395	2.2
331.19110	100.0
332.19467	9.4
382.70309	1.1
556.60535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44304	1.3
55.15001	1.1
59.01247	29.1
71.01244	2.4
71.57323	1.7
71.57729	1.2
72.99160	1.3
73.02819	1.3
75.61617	1.4
82.16002	1.1
83.29620	1.0
84.28408	1.1
87.00746	1.9
89.02307	3.6
96.95879	5.3
101.02311	2.1
118.08740	1.1
119.03448	1.7
161.04451	1.6
171.56032	1.3
171.71686	1.2
179.05530	2.0
184.45540	1.1
207.13800	2.7
209.11783	2.5
225.14928	3.6
227.10715	1.8
227.12828	23.4
228.13104	1.8
251.12820	2.2
269.13947	8.2
287.14987	100.0
288.15265	5.5
329.15961	3.4
389.18066	2.7
431.18970	2.5
449.20270	44.5
450.20490	3.5
632.01965	1.3
647.23242	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	645.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38548	0.2
55.01756	1.4
57.03323	1.4
58.00475	0.5
59.01250	100.0
60.01581	1.2
61.98702	2.7
68.99696	0.3
69.03328	1.5
70.94717	0.2
71.01254	24.8
71.57708	0.3
72.01580	0.2
72.99176	1.2
73.02818	5.2
75.00730	0.5
78.95795	0.6
81.03310	0.3
83.01255	3.7
85.02823	11.5
85.99983	0.6
87.00747	2.3
89.02315	6.0
93.03310	0.2
95.01272	2.9
96.95890	3.3
97.02822	2.3
99.00760	2.8
101.02322	11.5
109.02843	0.7
111.00759	1.0
111.04401	0.3
112.01562	0.8
113.02327	16.5
114.02650	0.2
114.96055	0.2
115.03928	0.7
119.03404	1.9
119.04879	2.4
123.00749	0.2
124.01562	3.4
125.02348	5.4
129.01807	0.8
130.55054	0.2
131.03416	0.5
135.04448	0.4
141.01801	0.3
141.29068	0.2
142.02588	0.4
143.03412	3.9
145.02911	0.5
149.04451	0.3
151.03902	0.2
153.01836	0.5
159.02893	0.8
161.02367	0.3
161.04482	3.4
179.03589	0.3
179.05496	1.2
191.05559	1.4
265.12155	0.2
266.63330	0.2
285.03873	0.3
342.14755	0.4
373.72891	0.3
381.22928	2.3
399.23740	2.8
451.23166	0.4
461.25504	0.3
462.20297	0.8
465.24399	0.2
477.24759	0.4
479.26501	0.3
489.25076	0.7
495.26147	0.4
507.26523	1.1
525.27008	11.7
526.27441	1.7
543.28088	46.8
544.28424	6.5
561.29126	14.1
562.29425	2.0
582.26080	1.2
585.29083	4.3
586.29626	0.5
603.20398	0.4
603.30176	7.0
604.30597	1.0
627.17737	0.3
645.29883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	91.9
59.39300	1.0
71.01239	9.0
71.58863	1.6
80.07957	1.1
85.02815	1.6
89.02317	10.2
96.95856	2.8
97.72322	1.2
101.02309	6.2
113.02331	5.3
119.03360	3.2
161.04414	4.7
179.05534	2.1
180.34154	1.6
183.13817	5.9
195.13814	8.0
213.14890	100.0
214.15247	6.0
217.00032	1.1
387.20203	9.9
437.80942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
58.00455	1.2
59.01245	17.3
62.26915	0.8
71.01247	15.8
73.02813	1.0
74.02367	0.9
79.95596	1.1
80.96413	1.5
81.16878	1.0
83.29476	0.8
85.02827	5.1
87.00742	2.5
89.02310	20.4
90.50121	0.9
91.01760	1.0
93.03337	2.2
95.01257	1.7
96.95901	6.0
97.02851	1.5
98.75689	0.8
101.02319	9.4
106.04128	7.0
107.04905	19.7
108.02042	4.8
108.05279	0.9
113.02329	12.2
119.03384	8.9
119.04897	3.3
121.02837	3.8
123.04370	4.5
125.02311	3.8
129.81790	0.8
131.03392	1.3
131.04930	2.7
133.02832	22.6
135.04460	1.7
138.03122	1.5
143.03392	7.0
145.06461	1.7
147.04402	4.0
149.06007	1.0
151.03900	73.3
152.04276	3.7
161.04453	7.6
161.05954	4.1
163.03949	1.4
165.05476	27.0
173.06001	1.9
175.03914	100.0
176.04276	4.8
177.11192	0.9
179.05525	35.3
180.05959	0.9
187.03961	1.2
193.04971	43.0
194.05328	2.2
203.54099	1.0
205.04982	12.0
209.04498	1.3
217.05005	11.4
223.06062	36.9
224.06374	1.9
235.05980	5.5
245.09250	1.8
245.55292	0.9
253.07135	58.1
254.07483	3.0
277.07291	2.6
295.08249	3.8
307.30829	0.9
313.09283	30.0
314.09622	2.0
331.10300	5.1
357.10117	1.2
411.10825	1.4
465.14017	1.7
468.05765	0.9
523.78851	1.1
537.15375	1.0
640.15466	1.1
645.27759	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	641.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.3
59.01256	0.9
61.98767	0.4
69.03344	1.0
69.26060	3.9
71.01260	0.4
71.04858	0.6
78.95775	2.7
83.04910	0.9
95.04926	0.7
96.95905	0.7
97.02048	0.4
97.06480	0.7
99.08025	6.1
103.91901	0.8
109.06541	0.3
121.10146	0.7
125.09626	2.3
127.11195	3.2
129.09114	1.0
130.38126	0.4
131.91928	0.4
138.36363	0.4
139.11215	1.6
141.09145	1.1
143.10753	0.5
149.09682	0.4
152.99487	0.5
155.10661	0.6
155.14351	1.5
165.12772	1.0
167.14323	2.2
171.10193	8.0
181.12262	2.5
183.13843	10.1
184.14191	0.6
193.12288	4.0
195.13818	0.6
197.11775	1.1
199.13350	1.2
209.11749	2.6
211.13336	62.1
212.13663	2.4
229.14407	26.8
230.14813	2.0
265.05414	0.9
275.20120	1.2
277.21890	0.5
279.06570	0.5
281.21179	0.5
293.21259	3.6
311.22275	8.6
312.22495	0.6
329.23318	59.6
330.23688	4.2
349.14447	0.6
352.11481	0.4
519.24146	1.0
641.35236	15.3
641.46130	100.0
642.35181	4.2
642.46582	19.4
670.43750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82956	2.2
55.49999	2.0
55.90295	2.1
59.01249	100.0
69.02705	2.3
71.01237	10.8
73.02815	3.7
75.00760	2.5
85.02823	4.2
87.00748	2.7
89.02329	4.1
96.95905	4.6
98.19792	7.3
101.02321	13.4
104.45779	2.2
113.02335	5.9
136.91325	2.1
141.48466	2.1
161.04414	3.0
201.11275	10.2
209.11726	8.1
227.12953	2.2
235.11876	16.3
240.08539	2.2
272.33609	2.9
277.12827	5.5
315.10623	3.2
397.13657	4.5
415.14444	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49683	1.0
57.03310	1.3
59.00983	1.5
59.01250	17.8
70.91533	2.6
71.01250	10.0
71.20081	1.0
72.99156	1.0
73.02810	3.1
80.16751	0.9
83.01236	1.0
85.02833	2.3
85.83655	1.0
87.00744	2.2
89.02338	6.0
96.95888	2.6
97.02824	2.0
99.00745	11.3
99.08047	1.3
101.02328	7.0
104.78896	1.0
110.03580	1.3
113.02312	4.4
113.82185	1.1
115.84313	1.0
119.03366	1.9
125.02187	0.9
125.09592	2.4
128.57614	1.0
136.05183	1.0
145.08566	3.2
145.88911	1.0
163.11212	5.4
165.01793	2.7
165.22206	1.0
171.10167	1.9
179.05470	1.8
181.12273	10.2
195.06584	2.0
197.11545	1.1
199.13335	6.6
207.10210	23.0
225.07828	1.6
225.11258	30.4
226.11552	2.0
243.12363	20.5
244.12776	1.0
307.13992	11.1
309.97412	1.1
329.13824	1.2
375.15448	1.0
397.13632	2.0
415.14963	1.2
533.19604	1.4
623.25409	1.8
641.26599	100.0
642.26776	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	88.7
65.32584	3.9
69.47531	31.3
71.01251	28.2
71.32283	4.2
73.02823	11.1
83.01266	6.3
89.02330	16.0
96.95884	32.1
97.02789	3.7
98.19858	8.1
99.08046	9.5
101.02336	13.3
113.02333	9.5
119.03392	8.5
135.04378	4.7
145.08583	31.7
145.35272	4.0
147.26758	3.7
149.02354	6.0
151.00333	4.1
165.05501	4.8
179.05595	4.2
191.05493	8.1
195.06499	7.3
225.11249	6.0
243.02408	6.1
270.01752	7.6
271.01999	7.2
272.02448	6.4
307.13974	100.0
308.14539	8.0
313.03427	28.6
314.03992	22.1
315.04083	29.1
329.13895	10.7
348.57025	4.2
444.88724	5.6
572.21332	4.6
641.16077	62.3
641.26556	15.5
642.15967	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	641.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.6
59.01248	40.9
62.54984	1.6
69.24997	12.1
69.25420	4.9
71.01245	15.9
72.99167	3.5
73.02803	4.7
79.95600	1.9
81.03349	1.3
83.01255	3.5
85.02818	7.5
87.00762	2.6
89.02306	4.9
93.51104	1.4
95.01273	1.9
96.95888	16.7
98.19703	3.3
99.00747	2.6
101.02327	10.4
112.26926	1.9
113.02315	6.7
119.01223	3.0
127.07643	1.4
135.04391	2.5
137.02335	16.0
147.00803	2.6
148.01553	2.8
149.02249	2.2
151.03845	3.7
163.03963	9.6
164.01036	2.2
164.04694	2.8
165.01846	100.0
165.21164	1.5
166.02293	3.1
177.05457	2.0
179.03413	30.2
179.07060	3.4
180.04199	56.6
181.04845	3.0
194.05750	6.0
195.02948	2.2
195.06561	69.1
196.07236	5.9
210.05247	10.3
211.09679	6.4
225.05408	2.4
225.07646	49.0
225.11009	2.1
226.07904	3.3
264.23761	1.6
355.13943	18.5
356.14191	2.5
373.15009	6.6
374.13492	1.9
378.52203	1.7
389.15848	4.5
415.15820	4.9
502.83511	1.7
533.20282	54.7
534.20197	6.3
551.21332	19.2
581.21503	1.8
593.22388	19.7
594.22479	2.6
599.23480	2.1
641.24072	9.2
641.33789	4.7
647.26263	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1665
Annotation	Hydnowightin
Peak:m/z	Relative Intensity
59.01232	0.4
61.15397	0.4
61.98711	0.5
63.02285	0.8
63.09214	0.4
65.00194	0.8
71.37057	0.7
73.55785	0.4
76.47232	0.4
79.95580	0.4
83.01238	0.5
93.03352	0.4
96.95885	1.9
104.02552	0.4
107.01238	2.1
108.02050	0.5
121.02820	0.5
123.04435	1.1
125.02307	0.9
132.02065	0.4
133.02855	4.5
147.04378	0.4
149.02376	1.0
151.00269	3.3
159.04382	0.8
160.05199	0.5
171.04387	0.4
172.05299	0.4
175.03915	1.1
177.05470	0.9
178.06261	0.7
183.04425	2.0
187.03999	0.6
188.04611	0.5
191.05504	0.8
191.07085	0.7
197.11725	0.4
199.03918	1.5
201.01888	0.5
203.05246	0.4
203.07080	1.6
206.05807	0.6
207.10197	0.4
211.03957	0.7
217.05003	0.5
221.08171	1.1
224.06927	0.5
227.03506	1.1
241.05029	0.5
255.02953	75.1
256.03641	19.0
257.03961	1.0
267.06619	0.8
283.02454	100.0
284.03186	43.2
285.03998	40.6
286.04370	2.7
298.04761	1.1
299.05600	5.6
305.08209	0.6
307.09729	0.7
339.12234	0.6
357.13449	3.2
364.51358	0.4
593.14563	5.8
594.15204	0.9
600.75104	0.4
600.98309	0.4
605.14154	2.9
611.15668	1.4
623.15735	3.4
624.15546	0.4
641.16614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01254	1.9
69.03336	0.9
71.13873	1.5
78.95776	5.4
83.04872	0.8
85.02818	2.0
92.28424	0.9
96.95874	1.3
97.06470	2.0
99.08037	4.1
109.10944	0.8
125.09603	1.7
127.11169	3.0
135.33400	0.9
139.11203	0.8
155.14229	0.9
165.12785	1.4
167.14320	2.1
171.10204	6.9
181.12291	1.5
183.13834	8.4
193.12273	3.3
197.11751	2.9
209.11737	2.9
211.13336	58.5
212.13673	2.3
221.11752	2.4
229.14407	25.5
230.14667	1.8
239.12889	1.0
286.52097	0.8
291.19702	2.6
293.21164	1.3
309.20679	4.9
311.22202	3.6
327.21747	12.8
328.22156	1.5
329.23337	43.8
330.23550	2.7
380.33606	0.8
566.22028	1.5
578.67816	1.0
639.44745	100.0
640.45166	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16477	5.0
54.40715	4.2
59.01249	100.0
70.86974	5.3
71.01257	73.7
71.57866	7.2
72.99181	6.7
73.02834	35.5
83.01269	11.2
85.02827	15.0
87.00789	6.0
89.02310	49.4
95.01273	7.7
96.95886	36.8
101.02312	53.7
109.02825	11.3
113.02348	25.2
119.03409	21.8
135.04424	5.1
136.07347	4.4
150.88875	4.5
161.02399	5.4
165.05498	6.0
179.03520	7.7
179.05441	6.6
190.72116	4.9
195.06604	6.0
197.11732	10.9
211.13278	31.2
216.29845	4.5
223.02490	9.9
253.03456	6.7
273.63022	4.5
276.63779	4.4
283.04712	11.8
365.00336	4.9
373.18787	8.5
375.31314	4.8
391.14572	6.2
391.19693	94.5
392.19943	8.0
415.19885	9.9
433.20737	67.3
434.21432	9.2
457.20761	5.9
535.23859	6.1
595.26202	56.2
596.26349	9.0
639.25073	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	639.1929
Annotation	Suspensaside
Peak:m/z	Relative Intensity
51.25977	0.5
51.95886	0.5
53.81167	0.5
55.68200	0.5
57.03292	0.6
59.01252	11.8
69.44453	0.7
69.44781	5.1
70.42447	0.5
71.01257	10.4
71.66719	0.5
73.02808	1.9
75.27901	0.5
78.96311	0.6
81.03337	0.6
85.02815	9.4
87.00764	2.1
89.02341	2.9
89.03844	1.9
93.03327	2.1
95.01257	3.8
95.04887	1.0
96.95898	1.7
101.02299	3.3
105.03357	3.5
107.04935	1.2
109.02831	10.6
113.02334	17.8
114.02674	1.5
119.03345	1.3
121.02821	3.0
123.04413	14.4
124.04711	0.7
125.02377	0.8
132.02069	0.7
133.01836	1.3
133.02847	22.1
134.03519	1.1
135.04410	20.3
136.04767	1.9
137.02338	1.5
139.03883	3.2
148.01595	0.6
149.02347	11.1
150.03134	1.4
151.03931	7.3
153.05502	1.2
159.02794	0.7
161.02345	36.2
161.12556	0.6
162.02678	2.2
169.05003	0.8
176.01051	1.2
177.01848	100.0
178.02151	5.0
179.03423	17.7
180.03770	2.3
181.01385	3.6
181.03758	0.7
195.02969	3.9
196.03334	0.8
203.03596	0.8
229.14372	0.9
307.04645	2.6
341.10822	1.1
373.18869	0.7
391.19778	4.1
433.20688	6.4
461.16620	16.2
462.16968	1.0
477.16333	5.1
639.19238	34.2
639.31970	1.3
640.19958	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	639.1933
Annotation	Plantainoside D
Peak:m/z	Relative Intensity
59.01255	8.7
63.97628	1.2
65.56485	1.3
66.72821	1.3
70.87344	2.5
71.01250	8.9
72.76280	1.0
72.99165	1.5
73.02829	1.9
85.02816	6.3
89.02319	5.5
95.01261	2.1
96.95904	8.6
101.02328	3.8
108.40283	1.2
109.02835	4.2
113.02304	10.2
123.04407	9.8
132.01979	1.9
133.02859	30.8
134.91464	1.2
135.04410	24.1
137.02287	1.5
150.03137	6.0
151.03920	19.5
151.72786	1.3
152.04228	2.0
161.02350	100.0
162.02672	3.4
169.12250	2.8
179.03410	36.0
181.01392	2.1
197.11798	6.3
203.03433	1.8
323.92288	1.4
325.08566	1.3
391.19223	3.0
417.15195	1.5
432.19397	1.6
433.20255	1.9
458.79852	1.6
459.14941	3.4
477.16147	3.3
487.13885	2.2
529.15210	3.7
621.18304	19.6
622.18439	2.5
639.17535	19.5
640.19281	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	639.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47200	0.5
57.48800	0.5
58.00466	1.0
59.01255	6.6
70.28641	0.6
70.28980	2.1
73.02819	1.7
73.81426	0.7
78.95811	0.6
79.95606	4.2
80.96359	0.7
85.02814	2.0
89.02307	1.7
93.03319	1.1
95.04924	0.8
95.95098	2.5
96.95883	100.0
98.19913	0.9
101.02309	3.5
106.04114	5.1
107.04903	5.7
108.02044	1.8
113.02309	4.0
119.03400	0.8
119.04923	1.4
121.02852	1.3
123.04394	7.3
123.10970	0.7
128.40862	0.5
133.02841	19.4
135.04433	0.7
138.03067	0.6
147.04391	1.3
151.03885	8.1
165.05484	15.4
174.75658	0.6
175.03940	3.5
193.04968	10.8
235.13278	0.6
245.11783	0.7
325.07413	2.3
328.42630	0.7
473.84219	0.6
487.12930	1.2
623.45203	0.6
639.17462	92.1
640.17902	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	639.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.5
59.01254	6.5
73.02801	1.1
79.95599	3.7
85.02823	1.7
87.00827	0.7
89.02312	2.3
92.14717	0.8
95.95094	3.6
96.95893	100.0
98.20546	2.3
99.00807	0.8
101.02336	2.8
106.04124	5.0
107.04926	6.4
108.02077	1.0
113.02328	2.8
119.04896	0.8
123.04404	7.9
133.02850	20.9
149.06052	1.0
151.03905	8.5
159.13010	0.8
165.05473	16.1
175.03926	3.1
178.53429	0.8
181.38420	1.1
193.05013	11.0
245.11723	1.5
325.07535	2.3
478.45166	0.8
487.12982	1.1
639.17529	77.3
640.17865	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	639.1568
Annotation	Rhamnetin 3-galactosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
58.68406	0.5
59.01241	1.9
71.57993	0.7
71.58438	0.7
73.02822	0.9
83.11916	0.5
96.95876	3.6
101.02332	0.6
107.01269	0.7
109.02823	3.2
135.04430	0.7
151.00244	1.4
181.01376	0.8
191.05550	1.0
198.03255	0.6
214.02672	2.0
223.02406	1.8
241.01334	1.7
242.02173	16.2
242.04640	0.9
243.02522	1.6
245.00871	4.7
253.03529	0.8
270.01691	27.1
271.02222	3.2
273.00540	0.6
283.04611	2.9
285.04056	11.1
286.04575	0.8
298.01163	5.8
299.01865	4.2
300.02911	0.8
307.14014	1.6
313.03534	100.0
314.04053	12.3
315.05038	6.3
335.08508	0.6
356.05966	0.6
390.10471	0.8
432.97760	0.5
476.09534	4.5
477.10385	4.4
478.10742	0.8
639.15656	71.5
640.15930	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	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.2
69.76124	0.9
69.76532	2.6
71.01260	3.6
73.02821	0.9
79.95631	0.7
85.02831	1.9
87.00759	0.6
89.02294	1.6
91.01777	0.6
96.22002	0.6
96.95889	11.9
97.02811	1.1
99.00786	0.8
101.02328	1.1
108.02007	1.1
109.02837	100.0
110.03188	2.6
111.04380	0.6
113.02332	1.4
125.02322	2.3
135.04385	0.7
136.01463	0.7
137.02313	4.1
151.00279	1.0
153.01880	1.0
165.01820	0.8
181.01350	32.3
182.01663	1.1
191.03358	1.0
191.05579	0.9
192.06168	0.6
223.02394	1.1
253.03532	1.7
271.02573	0.8
285.10687	0.6
297.07919	0.6
300.02731	6.4
301.03394	0.7
307.04593	30.6
308.04938	1.4
315.05096	16.3
316.05484	1.0
325.05627	1.9
433.20877	2.3
447.95761	0.6
549.57593	0.6
624.92346	0.8
639.15198	0.8
639.32526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88374	0.6
59.01238	1.4
63.96093	0.8
70.36067	0.5
70.68064	1.0
70.68439	1.3
71.01254	6.3
72.99175	0.7
73.02801	1.0
78.95782	0.7
78.98452	5.3
79.95602	8.1
80.96389	50.8
81.03353	0.6
85.02807	2.7
85.53402	0.5
87.00729	3.5
94.97960	13.2
96.95847	0.7
97.02816	1.1
101.02325	1.2
106.97939	1.8
112.98678	1.5
122.97446	3.2
125.02305	2.0
127.03941	0.7
132.02014	0.7
133.02850	2.1
134.03609	1.9
134.97473	3.7
135.04370	1.8
136.99040	1.0
137.02286	0.8
148.99017	5.2
149.00772	0.6
152.98534	4.6
160.01602	0.8
161.02313	0.7
164.98550	10.3
177.01840	1.0
178.02638	1.1
179.03317	0.9
187.07536	0.7
196.11885	0.6
206.99559	2.2
225.00699	17.4
231.10176	1.1
255.23257	1.9
257.08020	0.7
275.09229	1.8
277.21725	1.1
299.04385	11.6
381.03607	1.1
385.33566	0.6
476.09079	0.7
555.28400	100.0
556.28662	12.2
577.25812	1.7
637.27185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	2.9
61.09494	0.8
66.03379	0.8
67.05392	2.2
71.01243	1.0
71.04879	2.9
71.54673	1.9
78.95771	12.0
83.02409	0.9
96.96880	0.9
101.95910	0.9
112.02632	1.5
112.98675	2.2
113.02071	0.9
116.07059	38.9
116.07879	2.1
117.05454	2.3
125.03439	3.0
126.05527	1.3
129.10240	9.1
130.08643	4.2
133.02837	2.8
134.03615	1.5
135.04449	2.0
139.04961	0.8
140.07100	5.6
142.05000	1.5
143.11783	3.1
144.10197	27.3
152.99506	6.6
153.10251	5.0
155.08160	1.7
156.06691	0.9
161.02339	0.9
167.08128	1.0
178.02632	2.0
179.03409	1.1
180.10188	2.1
182.10519	8.2
183.11284	2.5
194.11787	3.6
198.11234	3.1
201.11208	2.7
207.14919	2.3
209.09273	2.5
209.11797	3.9
210.14980	6.4
225.16025	69.4
226.16315	4.9
229.15533	1.9
234.27043	1.0
239.10373	2.0
243.17065	1.9
255.23265	7.2
267.20706	3.6
275.09280	1.7
277.21646	2.3
283.16614	1.6
311.19565	2.0
324.22638	1.1
325.21307	100.0
326.21674	8.6
329.20715	3.0
343.22421	8.8
391.22504	1.0
424.28140	8.5
442.29214	18.0
443.29663	1.9
512.58057	0.9
619.36102	3.9
637.37103	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	637.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.6
58.00457	0.8
59.01248	20.5
69.03306	1.3
69.39742	4.9
70.09377	0.5
71.01249	12.1
71.88265	0.5
72.99180	1.1
73.02816	6.0
79.95609	1.6
83.01256	1.8
83.04857	0.8
85.02821	2.3
87.00735	1.3
89.02304	4.8
95.01244	0.8
96.95889	18.2
97.06468	0.6
98.95460	0.6
99.00747	0.8
101.02322	8.9
101.05935	0.7
111.08042	1.5
112.98751	0.5
113.02317	5.3
119.03376	2.3
119.34705	0.5
120.99571	0.5
121.02811	0.7
123.04347	0.7
125.02322	1.1
131.03383	0.8
133.02885	0.9
135.04381	0.9
138.05518	0.7
143.03366	1.3
149.00867	0.7
149.04443	1.3
161.04434	1.9
165.12764	24.3
166.13026	1.5
171.10150	0.8
179.03270	0.6
179.05600	0.7
183.13818	63.1
184.14174	3.0
197.15419	1.7
201.11212	1.1
203.05530	1.0
207.13835	3.9
209.11694	2.9
218.48100	0.6
219.13885	0.9
225.14868	0.8
227.12830	100.0
228.13220	6.2
237.14922	0.7
245.11418	0.6
249.14830	0.7
251.12856	8.2
252.13377	0.7
263.12747	2.1
269.13885	2.7
281.14063	1.2
293.13815	4.5
329.15927	0.9
333.71378	0.6
335.15115	1.0
337.04062	1.0
353.15817	1.0
371.16946	1.1
389.18130	9.9
389.25656	1.6
429.08490	0.7
431.19199	14.5
432.19385	2.2
586.88129	0.7
593.31683	1.3
637.15759	3.0
637.31769	0.6
638.37469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46635	0.4
51.06697	0.4
55.01781	0.4
59.01257	3.4
65.00191	0.4
67.01776	1.2
68.99699	0.8
69.03312	0.5
69.65391	3.0
71.01258	1.5
72.99195	0.5
73.02835	0.6
78.95779	0.5
79.27090	0.4
83.01279	0.9
85.02877	0.5
87.00774	0.6
89.02312	0.5
93.03349	1.1
95.01266	11.0
96.95889	5.6
97.02845	1.3
98.20538	0.5
99.00770	0.6
101.02340	1.0
102.09451	0.5
107.04925	1.0
108.02109	0.4
109.02855	1.7
109.78061	0.4
111.00777	2.1
112.98705	0.7
113.02325	0.6
116.88654	0.4
119.04900	0.9
121.02848	1.7
121.06479	0.7
123.00771	13.1
123.04421	0.6
124.01593	3.1
125.02322	3.1
125.99496	0.4
127.00263	1.8
133.02867	0.5
133.06441	0.7
135.04430	1.5
136.98726	1.5
137.02335	4.3
137.99474	0.6
138.03133	4.3
139.00270	10.7
139.03911	4.4
140.01050	0.6
141.01846	0.6
145.02895	1.2
147.04445	1.1
149.02359	1.9
149.05945	0.6
151.00293	1.7
151.03900	1.2
152.01093	1.4
153.01843	4.2
153.05496	3.5
153.98907	0.5
154.02638	0.8
155.03387	0.5
159.04404	1.2
161.02399	1.8
162.03160	2.9
163.03883	2.0
164.04582	0.7
165.01878	0.9
166.02629	5.6
167.03404	1.5
168.00598	0.5
168.04248	0.8
174.03136	0.8
175.03857	2.0
176.01125	1.7
176.04704	1.2
177.01840	4.2
177.05472	4.9
178.02657	3.5
179.03421	1.9
179.07182	0.4
180.04041	0.4
181.04980	6.1
182.02214	0.6
188.01126	1.2
188.04782	0.5
189.01865	2.1
189.05484	0.8
190.02594	1.4
191.03445	3.5
191.07042	0.7
192.04224	6.9
192.07957	0.7
193.04988	6.0
195.02904	0.5
195.06580	0.7
203.03423	3.8
204.04202	2.8
205.04997	1.5
206.05640	0.5
207.06552	7.4
209.04433	0.6
209.08240	0.6
218.05750	5.8
219.02975	1.0
219.06509	3.2
220.07454	0.6
221.04462	1.2
221.08122	0.8
223.06075	1.0
228.07645	0.4
233.04523	0.8
233.08171	1.4
234.05247	0.9
235.06171	0.6
243.06635	0.6
249.07672	1.1
251.09151	0.7
255.06531	0.5
257.04568	0.6
258.08945	0.6
271.05984	0.8
283.06219	0.8
284.06638	0.5
296.03314	0.5
298.08502	0.5
299.05496	0.5
301.07333	0.6
301.10901	0.6
315.08899	0.9
324.06107	0.4
325.07208	0.9
327.08835	0.7
329.10315	0.8
332.12228	0.5
338.08008	0.9
340.09396	0.6
342.07196	0.6
343.08170	3.7
344.08798	0.5
345.09665	0.8
355.08188	1.7
357.09775	3.9
358.06165	1.0
358.10583	17.4
359.11111	2.9
359.15027	0.6
370.10556	1.6
371.14990	0.4
372.12109	0.9
373.09293	1.6
373.12943	34.1
374.13254	2.9
375.10904	1.0
385.13022	1.6
387.10837	1.3
389.12408	0.7
402.09152	0.6
403.10098	4.3
403.14026	14.5
404.10120	0.7
404.14801	0.9
417.11804	2.9
418.12665	6.7
419.13138	2.4
432.14706	0.9
433.15024	100.0
434.15390	9.0
563.17334	0.5
577.19202	1.3
607.16241	2.7
621.18512	0.6
622.19025	2.9
637.21362	58.4
637.89209	0.4
638.21674	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	637.1591
Annotation	Rugulotrosin A
Peak:m/z	Relative Intensity
51.45425	0.3
57.03313	0.4
58.00452	0.6
59.01250	6.4
66.68391	0.4
69.03369	0.3
69.52712	1.3
69.53149	1.3
70.00939	0.3
71.01254	4.0
72.99161	0.8
73.02819	1.1
75.00743	1.0
79.95609	6.3
80.19135	0.3
80.96381	1.5
83.01263	0.7
85.02802	1.7
87.00723	1.0
89.02303	2.3
91.05405	1.5
93.03355	1.1
95.01256	0.5
95.95115	1.1
96.95885	100.0
97.95779	0.3
98.95470	0.9
101.02316	2.7
106.04124	1.0
107.04916	0.5
112.98639	0.5
113.02327	2.2
117.03345	4.8
119.03357	0.7
119.04898	0.5
121.02905	0.3
121.06480	1.3
123.04407	1.0
125.02308	0.4
131.03397	0.5
131.04930	0.5
133.02850	2.9
135.04401	1.5
135.08067	0.7
147.04417	0.5
149.05974	4.0
151.00294	0.4
151.03911	1.0
157.10146	2.1
159.04443	1.3
161.04451	0.8
163.07541	1.5
165.05533	1.6
171.08116	0.7
173.09650	0.6
175.03934	1.0
177.05515	0.7
189.05391	0.4
191.05580	0.8
193.05057	1.6
197.09641	0.6
199.11058	0.6
211.45293	0.4
215.10693	1.6
242.93956	0.4
259.09866	0.6
265.05630	2.8
267.31558	0.4
295.06454	0.5
339.05319	2.8
399.09091	0.8
488.22714	0.4
593.32043	0.6
637.15918	51.3
638.16278	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	637.1768
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
54.30145	0.9
57.03303	2.2
59.01254	12.9
65.00177	1.6
65.92655	0.8
68.99658	1.1
70.01407	0.9
70.64300	0.8
71.01251	14.9
72.99152	1.7
73.02801	2.6
81.03333	1.0
85.02818	12.0
87.00728	2.6
89.02290	4.1
91.01746	1.9
93.03346	5.8
95.01250	6.7
95.04868	1.5
96.95897	4.9
97.02802	1.4
99.00724	1.5
101.02304	5.2
104.02548	1.1
105.03294	2.3
107.04895	1.5
109.02791	4.1
112.98651	1.2
113.01631	1.5
113.02330	22.3
117.03330	1.2
118.97916	1.4
119.01268	7.2
119.03355	1.1
121.02841	18.4
121.25451	0.9
123.00729	3.4
123.03546	1.4
123.04403	22.0
125.02328	2.2
132.02023	1.6
133.01869	1.4
133.02847	28.8
134.03532	3.6
135.04410	73.0
136.04684	2.3
137.02283	3.4
139.00197	2.2
139.03917	6.1
143.03346	1.4
146.99733	1.4
147.00780	18.2
148.01575	5.7
149.02347	33.1
150.02968	4.2
151.03938	8.9
153.05452	7.0
161.02347	71.1
161.04434	3.0
162.02754	1.6
163.00256	0.9
165.01820	2.0
166.02539	2.4
167.03430	4.8
175.00269	14.1
175.03796	1.2
176.00993	6.1
177.01848	39.3
178.02312	1.5
179.03415	100.0
180.03722	5.0
190.99745	1.6
192.00560	1.4
193.01302	3.0
193.04944	2.2
195.02919	16.3
196.03108	1.0
201.05496	1.1
203.03285	2.7
245.04303	1.2
251.05447	1.2
275.05579	1.2
300.02594	2.2
301.03326	3.1
311.05380	2.7
315.10797	2.4
325.09277	1.0
358.10367	2.5
373.12805	6.6
385.12598	1.1
403.13821	3.5
417.11847	1.2
433.15018	17.9
434.15134	2.0
457.13068	1.8
461.16602	11.0
462.16757	1.6
469.13004	1.0
475.14529	4.6
477.14301	1.9
487.14767	4.7
530.52118	1.0
619.16388	1.8
637.17725	36.2
637.32080	2.6
638.18207	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	635.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65182	0.5
55.01755	1.9
59.01249	30.5
61.98724	0.6
69.03324	49.0
70.03655	0.8
71.01265	3.1
72.99168	1.8
73.02835	1.1
74.02367	0.8
79.01744	0.6
85.02811	1.2
89.02306	1.1
95.01250	1.6
96.95895	3.6
97.02827	12.1
98.95465	0.6
99.00751	14.4
99.04399	1.0
101.02343	1.2
113.02315	1.1
116.03428	1.0
116.92729	2.2
123.00761	1.1
141.01801	3.1
149.59439	0.6
165.12827	0.6
166.14363	0.5
185.00838	18.9
203.01949	1.0
207.13867	2.3
207.41133	0.6
209.11772	3.6
225.14957	3.9
227.12834	22.8
228.13139	0.9
229.65990	0.6
251.12912	1.2
269.13937	7.2
287.14990	100.0
288.15323	6.5
329.15976	1.7
347.06201	2.2
359.17133	0.7
389.18210	1.4
449.20251	28.3
450.20477	2.5
473.16946	3.2
635.21716	7.2
636.22253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.4
61.97111	0.8
61.98692	2.9
69.29485	8.8
71.01242	6.3
73.02815	1.6
78.95778	3.3
78.98470	4.7
79.79805	0.9
79.95600	6.7
80.96390	50.2
81.03352	0.8
85.02815	2.7
85.46426	0.7
87.00723	1.5
94.97959	11.4
96.95896	1.8
97.02808	1.5
101.02328	2.2
106.97964	2.6
107.20041	0.8
122.97477	5.1
125.02303	2.7
127.03830	1.0
134.97452	4.0
136.98982	1.0
138.90961	0.8
148.99042	4.5
152.98520	5.9
152.99556	1.1
163.89375	0.9
164.98547	11.6
182.99623	1.0
206.82254	0.9
206.99586	2.8
213.14911	1.7
225.00716	17.9
226.01260	0.8
243.01712	2.1
262.10904	0.8
277.21680	2.0
299.04385	3.5
351.96405	0.9
356.98898	2.9
415.09543	0.9
577.26855	100.0
578.27203	11.6
635.22491	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06222	2.1
59.01226	7.8
63.72434	2.0
66.91306	2.1
71.58731	3.0
72.29299	2.0
78.95759	10.7
89.02296	2.7
107.17513	2.4
112.41097	1.9
152.99487	6.8
167.00867	2.0
171.10153	9.4
248.07599	2.2
253.21742	4.2
255.23180	4.0
275.94531	2.1
279.23279	100.0
280.23605	8.7
391.22342	3.3
399.14136	7.7
400.14630	2.2
591.32288	2.5
617.34253	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	635.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.0
59.01257	25.9
59.23530	1.4
67.58389	1.3
69.80471	6.8
69.80875	2.9
71.01250	22.3
72.99182	3.8
73.02825	16.9
78.35085	1.7
78.95775	1.8
79.95607	3.1
83.01283	3.7
85.02815	3.6
87.00735	6.4
89.02330	8.6
93.03322	2.1
96.95894	100.0
98.95469	4.1
99.00769	1.7
101.02316	12.9
103.00230	1.7
112.98700	12.2
113.02322	6.5
114.70364	1.9
119.03397	1.7
119.04881	2.5
122.06007	2.8
125.38309	1.6
130.02899	1.9
132.04440	2.7
133.02841	1.6
134.06010	28.7
135.04378	2.6
136.52351	1.4
137.02345	1.8
145.02902	3.1
147.04401	4.0
152.07072	4.4
158.02408	7.5
162.05496	3.8
173.04240	1.6
173.09474	2.0
176.03444	2.8
176.31842	1.6
190.05029	46.7
191.05463	5.7
202.05005	1.8
222.07736	16.2
225.11220	7.7
234.07561	2.8
239.13586	1.7
251.58849	1.9
266.58752	1.5
269.04608	2.5
269.08566	1.8
277.09763	1.7
277.47708	1.4
296.11227	3.8
305.09464	3.6
309.08923	1.8
309.12405	1.6
314.12482	2.3
337.03891	4.5
337.11942	24.8
338.12540	2.2
355.04901	8.6
355.93738	1.7
356.13403	4.6
369.14484	16.0
370.14734	1.7
373.05963	2.5
379.90167	2.0
413.01953	3.1
442.94623	1.6
531.19794	2.5
539.08063	1.8
549.20563	3.2
559.19263	46.9
560.19604	6.2
591.21991	68.1
592.22064	8.4
635.18439	7.4
636.17957	2.0
657.52222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12601	0.1
54.17643	0.1
56.55492	0.1
59.01247	2.4
60.01596	0.2
60.63609	0.1
61.01682	0.2
61.98701	100.0
62.04639	0.1
70.72497	0.4
71.01266	0.3
72.01569	0.1
73.02827	0.1
78.95734	0.2
80.96399	0.5
83.76178	0.1
85.02823	0.2
107.07855	0.1
113.02326	0.2
116.92748	1.6
116.97134	0.7
121.02844	0.7
130.99173	0.1
132.34708	0.1
138.35742	0.1
164.98566	0.2
183.13766	0.3
184.14243	0.2
195.13910	0.5
196.14227	0.5
213.14908	1.9
214.15250	1.5
215.15546	0.6
216.15750	0.2
225.00664	0.3
251.05666	0.6
397.55630	0.1
409.29559	0.3
410.29855	1.0
411.30103	1.1
412.30469	0.9
473.30566	0.2
575.25427	0.1
577.26819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43929	1.3
54.54520	1.3
55.01759	1.3
57.03325	3.0
57.74438	1.2
59.01252	9.4
63.96098	2.0
69.03329	2.7
69.92632	8.0
71.01255	17.6
73.02822	6.3
73.10181	1.3
73.70096	1.3
75.00755	2.3
81.03324	2.6
83.01266	6.0
84.02052	2.2
85.02831	24.3
87.00755	8.6
89.02318	2.3
95.04930	1.7
96.95892	17.8
97.02841	2.9
98.20515	1.7
99.00768	17.0
99.04395	2.8
101.02321	3.6
107.86185	1.5
109.02834	1.8
111.00794	8.2
111.04423	2.6
112.98730	2.6
113.02333	4.2
115.00259	99.8
116.00645	1.6
119.04941	1.7
122.03635	1.8
125.05955	1.6
129.01768	1.9
135.04451	2.0
139.00282	8.5
145.10153	2.2
149.00824	1.4
150.02240	4.4
151.75591	1.3
157.01329	22.8
159.16054	1.5
173.09662	1.4
173.13278	2.0
175.02382	15.4
187.00032	1.3
191.05630	1.4
201.12729	2.3
203.14410	2.7
205.12231	3.3
227.14380	4.0
231.13936	9.1
232.14372	1.6
245.15466	1.8
247.13364	4.0
269.15381	2.8
275.12918	17.5
277.14520	1.6
289.10895	1.4
289.14386	2.5
291.12332	4.2
293.13928	2.3
319.11877	58.3
320.12372	3.1
321.13440	2.9
331.15503	3.5
333.13409	4.1
337.12933	23.8
361.12869	1.9
375.14398	8.1
377.12405	64.3
378.12912	3.4
379.14075	4.3
391.13641	2.5
395.13373	4.0
419.07983	2.2
419.13541	33.2
420.13934	4.1
437.14529	100.0
438.14859	10.1
479.15637	2.0
481.17172	7.9
484.74661	1.5
499.18246	5.1
539.17639	36.0
540.18250	3.9
575.35681	1.6
581.18536	4.6
635.18048	2.2
635.28821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60852	0.4
59.01249	100.0
60.01580	0.9
62.02855	0.3
64.48989	0.4
64.73081	0.3
70.88673	0.6
71.01263	0.7
136.58496	0.4
184.54860	0.3
317.07327	0.4
633.44110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53750	0.1
51.87092	0.1
58.97519	0.1
59.01244	1.3
60.01572	0.1
60.95549	0.1
61.98698	100.0
62.04658	0.1
68.34466	0.1
69.25690	1.3
71.01218	0.1
78.95798	0.2
98.19627	0.2
107.80103	0.1
183.13817	0.4
184.14122	0.3
195.13843	0.3
196.14174	0.2
213.14890	2.7
214.15210	2.0
215.15491	1.4
216.15768	0.4
217.31937	0.1
257.16425	0.2
336.05447	0.1
351.37747	0.1
503.61783	0.2
632.60791	0.1
656.79102	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01742	2.0
57.03318	5.5
59.01243	2.8
69.99994	2.6
70.00404	1.3
71.01249	6.4
72.99176	2.2
73.81647	0.8
75.00743	26.3
83.01279	1.0
85.02821	30.0
87.00744	2.8
95.01254	2.3
99.00758	2.4
103.21368	0.7
112.01556	0.9
113.02322	14.0
115.00272	1.0
116.01017	2.1
157.01378	1.3
225.90367	0.8
350.69861	0.9
550.09149	0.9
633.40039	100.0
634.40460	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	633.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68491	0.3
55.01747	1.1
57.03320	5.7
59.01244	2.9
60.99151	0.4
67.01759	0.5
68.26459	0.3
68.99657	0.4
69.03339	0.5
70.14977	1.3
71.01254	6.1
72.99181	2.8
73.02799	0.8
75.00742	29.6
78.95753	1.1
83.01249	1.3
84.02012	0.3
85.02818	31.0
86.03162	0.7
87.00748	3.1
89.02323	0.6
95.01254	2.5
96.95892	1.2
99.00755	2.7
105.57101	0.3
111.00780	0.6
112.01527	0.7
113.02325	18.0
115.00260	0.8
116.01028	3.3
117.01807	1.1
129.01823	0.7
152.99513	0.4
155.06201	0.3
157.01344	1.9
175.02341	0.9
197.16167	0.3
204.56883	0.3
293.09308	0.3
407.32883	0.4
437.34073	0.8
501.35971	0.5
573.44006	0.4
584.01343	0.4
633.40045	100.0
634.40338	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	633.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
61.98703	0.9
62.38821	0.5
65.45377	0.5
71.58604	0.7
75.00703	0.5
78.95782	3.1
96.95896	7.7
98.12342	0.5
116.92775	0.7
117.03355	27.3
118.03716	0.8
118.96831	0.7
119.03397	2.8
119.04903	3.6
121.02886	1.0
145.02867	100.0
146.03214	5.1
146.75047	0.5
152.99489	0.9
163.03960	3.1
191.05478	0.6
211.98927	0.5
231.02966	0.6
244.22496	0.6
345.78650	0.6
397.70529	0.5
469.33035	1.1
633.37970	64.9
634.28137	0.8
634.38367	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	633.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33894	0.4
50.42336	0.4
52.19657	0.5
54.43039	0.3
59.01246	0.5
68.19840	0.4
68.41290	0.4
70.87044	0.8
78.95765	2.8
96.95853	0.7
117.03344	25.2
119.04903	3.8
121.02867	0.6
145.02850	100.0
146.03206	4.8
152.99495	0.7
163.03949	2.9
175.91930	0.4
191.05574	0.7
191.35001	0.4
191.96219	0.4
286.91580	0.4
425.30411	0.6
455.31793	0.5
467.31421	0.6
469.33655	0.7
514.22571	2.0
574.24683	0.9
633.37927	62.2
634.38287	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	633.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90630	0.1
59.00983	0.2
59.01244	1.6
69.03325	0.2
69.50363	1.1
71.01248	0.5
73.02808	0.2
78.64119	0.1
79.95603	2.2
83.04832	0.1
87.00751	1.6
89.02319	0.9
90.41537	0.1
92.16403	0.2
96.95883	100.0
97.02848	0.2
97.95833	0.4
99.00754	0.3
101.02325	0.3
102.23116	0.1
112.18397	0.2
125.02222	0.1
149.04439	0.4
153.01869	0.2
180.04007	0.1
187.11401	0.1
189.12769	0.3
195.06578	0.2
213.04390	0.2
217.12070	0.2
223.06587	0.2
225.14922	0.2
227.12793	0.2
235.13423	0.4
261.11279	0.2
265.07602	0.8
279.12347	4.4
283.08542	0.2
287.14911	1.3
293.63232	0.2
321.13226	0.2
325.09653	0.4
367.10773	0.2
378.78452	0.2
491.21271	0.5
546.95642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3852
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.01748	1.1
57.03078	0.4
57.03328	5.1
59.01255	3.1
62.62191	0.3
67.01738	0.5
68.99676	0.6
69.03317	0.5
69.42061	1.4
69.42472	0.8
71.01257	9.7
72.99189	2.2
73.02805	0.5
75.00747	30.3
83.01263	1.3
84.02064	0.3
85.02824	28.8
86.03151	0.3
87.00751	4.4
89.02296	0.4
95.01270	2.3
96.95878	1.2
97.02790	0.3
99.00758	5.8
101.02306	0.6
111.00770	0.7
113.02328	15.8
114.02676	0.4
115.00251	1.1
117.01810	1.0
129.01877	0.5
141.01808	0.8
157.01363	0.9
175.02467	1.4
184.76006	0.3
217.00264	0.8
301.23956	0.3
339.29324	0.3
374.99283	0.5
391.29880	0.3
437.34241	2.4
481.82242	0.3
631.38489	100.0
632.38855	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	631.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.0
70.55271	6.9
72.80269	3.3
77.11233	2.8
78.95787	8.0
109.30247	3.0
130.04008	3.3
134.68326	3.0
141.62343	3.4
149.53555	4.0
152.75722	3.2
167.89966	3.5
192.39891	3.7
220.83887	3.7
277.21716	100.0
278.22107	6.5
542.22003	4.1
610.12177	4.3
647.56573	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	631.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49068	0.2
55.01754	1.3
57.03320	4.3
58.60997	0.2
59.01249	2.6
67.01752	0.6
68.99670	0.9
69.03326	0.5
71.01255	3.7
72.99176	1.8
73.02825	0.5
75.00745	25.1
76.01042	0.3
78.95760	0.4
83.01281	1.0
84.02020	0.5
85.02822	22.3
85.10427	0.2
85.99976	0.3
86.03168	0.4
87.00754	1.5
88.69704	0.2
89.02277	0.4
95.01265	3.2
96.95902	1.8
97.02837	0.2
98.19733	0.5
99.00763	1.8
101.02342	0.3
103.00211	0.3
111.00770	0.5
112.01549	1.2
112.98710	0.3
113.02332	11.5
115.00254	0.8
116.01028	0.5
116.97123	0.2
117.01795	0.9
117.57000	0.2
129.01788	0.7
129.09044	0.2
130.99783	0.3
137.02310	1.0
139.00308	0.2
146.78549	0.2
157.01279	1.3
175.02354	0.9
191.05508	0.3
217.00197	0.7
253.09109	0.3
283.02371	0.3
313.23779	0.8
335.22238	0.3
355.10892	0.2
374.99371	0.4
437.34073	0.7
453.33716	1.3
455.35266	7.3
456.35779	1.0
464.43350	0.2
509.36487	1.8
510.37048	0.3
511.34229	0.5
555.36938	2.0
556.37390	0.4
613.37451	0.6
631.38477	100.0
632.38806	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	631.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81000	0.3
55.01754	1.7
57.03319	4.8
59.01245	3.0
66.76018	0.3
67.01762	0.9
68.99658	1.0
69.03322	0.5
70.69213	1.0
71.01250	4.0
72.99173	2.4
73.02811	0.9
74.63145	0.3
75.00743	30.4
76.01077	0.3
78.95778	0.6
83.01245	1.4
84.02068	0.5
85.02820	24.9
85.99967	0.4
86.03151	0.4
87.00743	2.0
95.01258	4.0
96.95867	2.0
97.02829	0.5
99.00764	2.6
101.02322	0.4
112.01527	1.3
113.02330	14.3
115.00241	0.5
116.01018	0.3
116.97110	0.3
117.01827	0.9
120.22120	0.3
129.01817	1.0
157.01335	1.6
175.02379	1.2
190.13687	0.3
193.70428	0.4
197.44644	0.4
211.33217	0.3
217.00186	0.9
220.76411	0.3
229.52768	0.3
261.35004	0.3
268.65253	0.3
374.99484	0.4
453.33771	0.8
455.35165	1.3
509.36096	0.4
555.37012	0.5
587.39526	1.8
631.38458	100.0
632.38837	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	631.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03325	5.3
58.98701	0.3
59.01254	3.0
61.98697	0.4
67.01761	0.7
68.99680	1.2
69.03308	0.5
69.88009	0.7
69.88406	1.6
71.01255	4.2
72.99194	1.9
73.02817	0.7
75.00742	31.1
83.01245	1.1
85.02818	25.2
86.03165	0.5
87.00747	1.7
89.02331	0.5
95.01254	3.4
97.02816	0.5
99.00761	2.0
111.00751	0.6
112.01546	1.5
113.02327	12.4
115.00287	0.4
116.01057	0.4
117.01820	0.8
129.01805	1.2
157.01303	1.4
175.02386	1.0
184.74594	0.4
190.00592	0.4
217.00230	0.6
246.37627	0.3
252.19006	0.4
274.58002	0.4
303.81381	0.4
437.34180	0.5
453.33704	1.0
455.35196	6.7
456.35715	0.7
509.36188	1.8
511.34091	0.8
527.37207	0.4
555.36713	3.1
571.36615	0.4
613.37689	0.6
631.38464	100.0
632.38763	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	631.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79069	0.2
53.89748	0.2
55.01755	1.5
57.03325	5.3
59.01251	3.0
59.95396	0.2
64.66518	0.2
67.01755	0.5
68.99693	0.3
69.03342	0.3
70.74018	0.6
71.01254	5.9
72.99184	3.1
73.02812	0.7
75.00746	29.9
76.01089	0.2
78.95782	0.3
82.96326	0.2
83.01249	1.2
84.02041	0.5
85.02824	31.3
85.99982	0.2
86.03172	0.5
87.00751	3.0
88.69160	0.2
89.02327	0.4
95.01266	2.6
96.01609	0.2
99.00764	2.9
100.38245	0.2
101.02330	0.4
103.00227	0.2
111.00797	0.4
112.01538	0.8
113.02332	18.4
114.02649	0.4
115.00254	1.2
116.01037	3.3
117.01823	0.9
129.01840	0.5
130.99721	0.3
157.01335	1.8
174.99065	0.2
175.02417	0.9
217.00311	0.7
219.30403	0.2
229.04048	0.2
234.68733	0.2
242.61836	0.2
374.99063	0.4
375.26837	0.4
391.30191	2.0
396.63943	0.2
407.33179	2.3
408.33539	0.5
423.33069	0.3
435.32645	0.9
453.34158	0.2
455.35394	0.7
613.37476	0.4
631.38489	100.0
632.38873	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	631.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16217	0.6
59.01254	2.6
62.35845	0.6
69.57977	4.1
71.01252	0.8
73.02777	0.5
74.98975	2.2
79.95629	1.7
85.02846	0.7
87.00760	1.1
90.98494	0.8
95.13716	0.6
96.95891	52.7
101.02332	0.7
111.04419	1.2
112.98656	0.6
117.47813	0.5
120.99545	100.0
121.99892	1.2
128.03343	0.7
151.03862	0.6
165.05582	0.8
173.13298	0.9
191.05615	1.2
195.06619	0.7
199.11276	0.6
217.00031	0.6
217.12312	4.3
235.37730	0.6
261.11185	4.0
269.04559	1.4
285.04010	0.7
295.10089	0.7
337.03790	0.7
339.12692	0.7
355.04962	1.1
383.11697	47.2
384.12039	4.7
425.12772	0.9
489.10416	1.3
568.48761	0.6
587.18018	6.4
588.18927	1.0
631.16211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02466	1.2
59.01252	50.2
61.98689	1.7
70.27361	1.2
71.01238	4.7
71.58100	2.1
71.58524	1.2
78.95788	3.5
85.02835	2.5
89.02316	2.7
96.95871	2.0
101.02345	1.8
113.02319	9.7
122.72645	1.3
123.05722	1.3
152.99452	1.5
183.13840	16.2
195.13826	22.1
213.14908	100.0
214.15222	5.6
409.29593	68.7
409.33920	0.9
410.29950	7.9
545.52515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99475	20.6
59.01253	5.2
71.01253	2.2
71.58727	0.9
71.59077	0.9
74.98961	3.4
78.95747	0.8
83.07254	0.7
85.02855	1.3
87.00732	2.7
89.02310	0.8
96.95897	23.7
97.02858	0.7
98.95492	0.8
101.02321	0.8
101.47453	0.7
102.98479	87.8
108.89712	0.8
111.04391	2.6
112.98727	0.9
120.99541	37.2
135.04420	1.1
163.00627	6.6
163.07655	1.0
173.13263	3.5
179.03400	1.1
191.05441	1.8
199.11166	1.3
205.12291	1.2
207.12039	3.7
217.12273	13.2
218.12621	1.4
221.00949	0.8
251.11147	2.9
261.11304	12.5
277.09000	1.7
295.10117	9.3
321.11533	0.9
365.10483	2.0
381.13428	1.0
383.11713	10.1
407.11618	1.1
425.12753	100.0
426.13092	12.1
545.16534	0.9
587.18005	8.3
588.19049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01578	0.7
61.11043	0.4
70.61156	1.5
87.00800	0.5
96.95883	1.0
98.19907	0.5
105.13730	0.4
135.04396	4.0
147.07819	0.4
163.03908	12.3
178.06250	1.2
183.13811	1.9
195.13858	2.6
196.07310	0.6
199.89389	0.5
211.09598	0.6
213.14888	13.4
214.15340	0.7
261.90009	0.4
294.29309	0.5
362.20932	0.6
377.19641	11.8
378.20139	0.6
392.22073	9.5
393.22632	0.7
398.06754	0.5
407.24347	64.2
408.24680	7.7
629.31293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82973	0.7
56.14526	0.7
57.15205	0.8
59.01249	15.5
60.01567	1.2
67.42311	0.7
67.84616	0.7
71.01240	1.8
71.57909	1.3
73.02822	0.9
79.95618	0.9
83.04895	0.8
84.54510	0.7
85.05083	0.7
86.02344	0.9
93.17992	0.7
96.95882	13.0
101.02380	0.8
105.39820	0.8
111.04400	4.7
120.01134	87.0
121.01546	0.7
125.63816	0.7
128.03511	1.0
135.04420	0.8
145.35274	0.7
149.01245	0.8
149.02304	5.0
150.03146	5.3
151.03505	1.7
164.04642	1.5
165.05473	5.3
166.05791	1.5
173.13297	4.4
191.05539	1.7
195.06554	5.0
196.06949	2.6
199.11220	2.2
207.12045	1.7
217.12271	13.0
251.11172	2.5
261.11295	18.0
272.28375	0.7
295.10025	3.9
340.05353	1.1
344.12677	1.4
359.14911	4.7
360.15402	6.3
382.13275	100.0
383.13556	7.9
407.16855	2.7
408.17578	3.9
424.14471	1.4
478.79999	0.8
586.19604	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	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40253	1.4
51.24292	1.6
52.37467	1.5
57.03927	1.4
59.01252	100.0
67.47473	1.5
71.01260	2.4
71.57897	2.1
71.87251	1.6
90.88844	1.6
92.24675	1.6
96.95890	7.5
109.73238	1.5
118.89838	1.3
135.04433	2.0
137.02347	2.3
165.01837	21.5
166.06229	3.0
171.10161	1.7
175.67181	1.4
179.03412	9.4
180.04214	16.4
194.05719	2.7
194.18712	1.5
195.06560	37.3
210.05243	6.5
225.07639	37.6
258.79172	1.7
268.72171	1.4
329.10303	6.5
344.12561	10.9
359.14987	28.7
360.15384	2.4
407.17044	24.7
408.17477	1.9
510.22952	1.5
610.97614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55155	0.8
59.01246	3.4
67.04765	0.9
71.01273	1.8
71.58160	1.1
82.06481	2.7
88.03909	89.4
89.04256	1.3
96.95882	2.6
98.02352	2.0
98.95428	1.5
108.08042	5.6
116.07053	2.8
121.02837	3.8
126.04214	5.2
130.08644	1.1
131.69946	0.9
137.02255	1.0
142.06499	1.3
146.06012	41.0
147.06380	1.5
152.07066	8.8
157.13387	3.2
158.06044	2.0
160.07567	1.4
169.09740	1.4
172.07492	1.2
174.09108	1.5
179.11787	1.4
183.11333	3.2
186.05499	4.9
196.06097	7.3
201.12418	11.1
203.08206	9.9
211.13222	1.0
212.13950	1.0
217.00343	1.5
232.77631	1.0
255.14967	2.7
299.13754	1.1
344.19849	2.0
388.18741	100.0
389.19040	8.7
432.21353	78.9
433.21527	8.1
469.24609	2.7
471.05881	1.7
487.25482	2.8
502.13083	1.0
629.28540	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	627.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79900	1.9
59.01260	7.1
65.51280	2.0
68.99425	11.6
69.03321	9.1
71.01253	32.2
72.99191	5.8
74.95259	3.1
78.95792	3.0
83.01264	6.6
86.56273	1.8
87.00777	3.4
87.92383	14.8
88.93179	2.9
90.94748	5.0
98.19736	5.3
99.00762	8.3
99.95441	1.9
102.94759	6.0
103.30112	2.1
103.91901	60.0
104.92686	47.4
105.93466	2.7
106.94266	8.8
111.00767	6.3
112.98461	15.6
113.02326	24.5
114.05514	2.3
114.94775	39.0
123.94576	9.7
128.96342	8.6
130.94260	18.0
140.96361	7.0
142.94270	18.7
144.95825	10.5
146.93739	11.5
147.94623	2.5
148.95303	4.5
154.94191	2.9
156.95848	13.6
158.93820	13.5
158.95023	3.2
161.96178	2.0
162.96910	3.3
170.97469	3.0
171.94583	30.4
172.95325	17.8
174.96910	2.5
184.95421	19.6
186.97044	2.6
198.96953	5.0
200.06233	2.3
200.94873	14.8
203.01300	3.3
204.97955	4.8
214.96399	5.7
216.98036	3.9
229.97591	2.5
232.97496	6.4
256.97568	2.9
258.99155	2.9
264.96619	2.2
275.99387	6.4
277.21695	38.4
278.22095	5.9
289.00143	7.7
290.00803	3.3
303.01544	2.2
305.00180	2.5
307.01306	12.9
320.99112	15.2
325.80005	2.4
339.00186	75.7
340.00244	3.2
347.00687	14.8
349.02289	36.7
351.16168	3.7
365.14178	14.2
391.15750	24.4
394.14572	7.8
395.15131	5.0
412.15677	2.9
419.15366	4.5
423.18564	4.0
426.13559	3.6
444.56705	2.5
477.19608	3.3
520.66510	2.4
537.21173	3.2
565.21069	6.0
567.22540	100.0
568.22949	15.7
599.21655	44.6
600.22101	6.8
627.24872	26.7
628.24921	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	627.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	11.3
65.41128	3.4
68.99448	29.8
69.03324	7.3
69.32917	3.9
69.33236	38.3
71.01245	37.1
72.99184	5.5
83.01244	6.1
87.00728	3.7
87.92390	13.7
94.16943	3.2
99.00738	5.6
102.94755	8.2
103.91905	61.4
104.92684	41.6
105.93465	4.0
106.94238	13.0
112.98434	27.0
113.02340	20.0
114.94745	34.2
123.94522	9.8
128.96321	7.3
130.94269	24.8
142.94250	16.7
144.95795	9.0
146.93747	17.0
156.95815	14.3
158.93762	12.5
161.96138	4.0
171.94571	28.6
172.95334	17.2
184.95305	23.0
198.96855	6.6
200.94775	17.1
200.98438	5.0
204.98007	10.5
214.96455	4.1
216.98024	4.7
232.97565	4.0
256.97388	4.8
275.99353	6.7
277.21729	38.6
289.00244	6.9
290.00568	3.9
299.70135	3.9
302.77084	3.8
307.01166	11.0
320.99109	17.9
339.00137	80.6
344.98990	4.7
347.00745	17.5
349.02289	38.5
365.14218	19.3
391.15836	18.9
392.16208	3.7
394.14423	4.9
395.14932	5.9
412.15387	7.5
555.27832	5.3
565.20709	7.1
567.22571	100.0
568.23010	16.7
599.21790	41.7
600.21692	5.5
627.24908	41.7
628.24780	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	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.7
58.00451	0.8
59.01247	19.9
59.08200	0.4
61.83040	0.4
69.03321	1.3
70.19624	0.5
71.01247	14.7
71.57966	0.9
72.99181	1.4
73.02818	1.9
75.00737	0.7
80.02539	1.6
81.03329	3.0
83.01236	2.2
83.04885	6.2
84.02032	1.8
85.02825	3.4
87.00749	2.9
89.02312	13.7
93.03336	1.0
95.01260	1.1
95.04912	1.1
96.95872	2.6
97.02834	1.9
97.70992	0.4
99.00791	0.9
101.02320	11.0
111.00788	0.7
113.02324	6.9
119.03376	3.9
121.02856	0.6
123.04401	12.2
125.02338	3.4
131.03416	0.9
131.23079	0.4
143.03394	2.1
149.02368	2.5
150.03133	3.5
151.03894	0.7
161.02411	0.5
161.04454	2.1
163.11223	4.5
165.05449	3.6
165.12775	3.0
167.03416	2.6
173.08116	1.3
179.05490	3.1
180.04120	0.9
181.12340	0.5
191.10756	0.9
195.06561	2.2
199.13275	0.6
209.11763	100.0
210.12085	5.8
221.06604	0.9
227.12839	19.1
228.13242	0.8
235.08173	4.2
244.07146	0.5
245.06503	0.5
253.09265	1.4
277.09225	0.5
287.07819	0.8
305.08893	1.3
323.09833	0.8
373.13141	0.5
397.13464	27.7
398.13815	2.2
415.08972	0.9
415.14532	18.2
416.14853	1.3
473.18140	1.1
505.24780	1.4
533.20337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.4
58.00472	1.6
59.01251	18.6
68.67371	0.8
68.99678	1.1
69.03309	1.0
71.01254	13.1
72.99213	1.6
73.02824	3.1
75.00721	0.8
78.28574	0.9
79.35955	0.7
80.02544	1.3
81.03326	2.6
83.01250	2.1
83.04880	6.0
84.02064	1.2
85.02800	4.2
85.41409	0.8
87.00739	3.9
88.46616	0.7
89.02318	14.7
95.01250	1.2
96.95905	4.7
97.02831	2.0
99.00807	1.3
101.02322	12.0
113.02306	6.4
119.03394	4.7
122.63776	0.9
125.02297	5.8
125.06009	0.8
127.50923	0.7
135.04445	0.8
137.02269	0.8
143.03400	2.5
147.11691	0.8
161.04445	3.4
163.11198	5.7
165.12712	3.7
168.69119	0.7
169.04874	0.9
177.01819	1.2
179.05536	3.0
191.10716	1.3
195.06519	1.1
209.11765	100.0
210.12097	5.5
227.12846	22.7
228.13156	1.5
235.08234	5.3
253.09105	1.3
305.08749	1.0
342.16669	0.8
344.36505	0.8
397.13477	31.6
398.13739	1.7
415.14548	17.4
416.15067	1.0
482.76547	0.9
625.26550	2.2
627.58136	0.9
650.28369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09444	0.4
55.01759	0.7
57.03327	0.5
58.00471	1.0
59.01251	16.8
69.03316	0.5
71.01253	15.3
71.58128	0.4
71.58504	0.5
72.99181	1.6
73.02818	2.8
75.00739	0.6
79.95586	0.4
80.02541	1.5
81.03332	1.6
83.01261	1.9
83.04900	5.4
83.97287	0.3
84.02035	0.9
85.02818	3.7
85.23462	0.4
87.00760	3.4
89.02316	13.2
90.02596	0.6
91.03908	0.4
93.03343	0.4
95.01253	1.3
95.04920	0.9
95.85886	0.4
96.95885	4.7
97.02811	2.5
99.00761	1.4
101.01688	0.8
101.02324	11.8
109.06431	0.4
111.00771	0.5
113.02338	5.7
118.97941	0.8
119.03393	4.3
123.00765	0.5
125.02331	4.3
125.05975	0.5
125.09606	0.4
131.03389	0.7
133.02849	0.6
135.04425	0.4
135.08076	0.5
139.03915	0.4
143.03412	1.9
161.02368	1.0
161.04482	2.6
163.11182	5.2
165.12749	2.8
177.01869	1.7
179.05504	2.3
181.12285	0.8
185.04375	0.5
191.10669	0.9
207.10144	0.4
209.11766	100.0
210.12103	5.6
217.07040	0.4
221.06549	1.0
225.11317	0.6
227.12846	17.1
228.13229	1.3
235.08191	5.0
253.09218	1.2
262.19852	0.4
263.07761	0.4
284.07166	0.4
287.07794	1.0
305.08774	1.0
323.09930	0.5
397.13489	27.2
398.13779	2.5
415.14545	15.7
416.14844	0.8
521.33203	1.6
625.26422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2664
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.31097	1.7
59.01239	1.9
62.40828	1.5
67.75353	1.6
78.95775	3.6
96.95869	6.1
119.21172	1.5
171.67000	1.5
208.95889	1.6
213.10271	10.9
266.31320	1.8
277.21805	2.7
385.14081	3.0
433.12946	6.3
434.13287	1.7
447.14594	3.4
448.15518	9.5
449.16046	4.9
463.17624	21.0
464.17853	5.1
469.66476	1.7
477.19574	3.3
478.20029	3.2
479.20938	17.6
480.21191	3.4
491.17224	32.6
492.17682	7.3
505.18817	4.8
506.19638	8.5
507.20239	3.3
520.21307	2.8
538.22241	30.0
539.22791	10.0
593.23920	9.7
625.26660	100.0
626.27081	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	625.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69182	0.3
58.04574	0.4
59.01245	4.5
66.23146	0.4
69.03324	0.5
69.41664	0.3
71.01250	1.9
71.69151	0.4
72.99171	0.5
81.03333	0.8
83.01266	0.5
85.02806	1.1
88.04010	0.3
89.02316	1.6
93.03319	1.4
95.04906	1.2
96.95896	3.4
97.02801	1.2
101.02328	1.2
107.01263	0.4
107.04881	0.8
108.02034	0.8
109.02830	0.5
111.00780	0.7
113.02321	2.9
119.03389	0.6
121.02840	2.3
122.03643	2.0
123.04404	100.0
124.01572	0.6
124.04760	3.9
125.02333	1.1
133.02802	0.9
135.04376	0.5
136.01508	0.5
137.02382	1.4
139.00262	1.1
139.03912	1.2
143.03406	0.6
145.06462	0.6
147.04370	0.6
148.01575	1.0
149.02324	2.7
150.03104	0.4
151.00261	1.4
151.03905	2.8
153.01837	0.5
154.02631	0.6
161.04329	0.5
165.05482	1.0
167.03404	18.4
168.03775	1.0
170.17586	0.3
173.05952	0.4
175.03926	1.0
177.01932	1.9
179.05444	0.5
187.03932	0.5
189.05513	0.7
191.03448	0.8
191.05391	0.4
192.04204	2.4
193.01329	0.8
195.06578	0.9
207.06551	5.1
209.04469	2.2
209.11737	4.4
217.04901	0.8
221.04622	0.6
227.12692	0.5
231.02861	0.7
233.04292	0.6
239.05559	1.7
265.07294	0.5
269.04504	0.5
275.05630	0.5
283.02560	0.4
287.02139	0.6
293.06659	4.7
294.07028	0.4
295.08240	0.6
300.02835	0.5
301.03500	4.8
302.03961	1.0
311.07678	1.4
397.13486	1.0
415.14526	0.7
625.14124	2.8
626.13531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96534	0.4
53.62081	0.3
59.01249	1.9
70.35379	1.4
71.01255	2.8
73.02828	0.5
81.03329	0.4
82.40804	0.3
85.02823	1.6
89.02309	1.7
93.03353	1.5
95.01247	0.5
95.04906	1.5
95.23733	0.4
96.95889	1.9
98.20415	0.4
101.02316	1.3
107.04910	1.0
108.02074	0.9
109.02842	1.1
113.02342	2.8
119.03403	0.4
119.04934	0.4
119.45962	0.4
121.02847	3.8
122.03652	4.6
123.04414	100.0
124.04766	3.1
125.02322	0.6
133.02823	1.2
135.04494	0.6
137.02370	2.0
139.03893	1.0
147.04439	1.0
148.01546	0.5
149.02362	5.4
150.03098	0.7
151.03909	2.5
154.02625	0.9
161.04427	0.4
163.03935	0.9
165.01871	1.1
165.05490	2.0
166.02513	0.4
167.03416	15.4
168.03740	0.9
174.37410	0.3
175.03938	3.1
180.04214	0.4
191.03479	1.0
191.05492	0.5
193.04988	1.5
195.06563	0.7
205.05023	0.5
209.04500	19.5
209.11728	0.6
210.04922	1.1
223.06137	0.9
239.05553	6.4
253.07231	1.5
254.17577	0.4
254.20874	0.4
269.06708	7.2
287.02194	0.5
293.06738	1.1
296.53784	0.4
311.07886	0.5
316.01834	0.5
329.08765	2.5
330.03903	0.4
375.09186	0.5
473.18341	1.0
490.57617	0.4
491.19116	0.5
533.20300	0.5
537.14618	0.7
625.14258	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Quercetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.62265	1.1
59.01245	4.0
63.02290	1.2
65.00178	3.1
68.28294	1.2
71.37837	1.6
74.51058	1.0
83.01254	1.3
89.02357	1.1
95.38297	1.1
96.95893	3.2
107.01265	5.0
111.00770	1.7
113.83147	1.2
125.02356	1.9
149.02362	10.6
151.00266	15.9
177.01888	1.4
191.03282	1.5
199.04013	2.7
207.06523	1.4
209.11852	2.2
227.03432	2.5
239.03690	1.1
243.02925	2.8
257.04385	1.4
271.02457	86.4
272.02853	6.5
299.01950	100.0
300.02652	45.4
301.03491	56.0
302.03925	5.3
329.02997	2.0
462.08023	67.3
463.08771	87.5
464.08963	9.7
625.14050	88.7
626.14441	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	623.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54166	0.5
55.01750	0.5
57.03312	1.0
58.00465	1.4
58.51216	0.5
59.01253	42.8
71.01254	28.4
71.58725	0.8
72.99174	2.0
73.02435	0.9
73.02821	13.7
75.00741	0.9
83.01248	4.7
85.02821	6.1
85.17287	0.5
87.00752	2.5
89.02311	15.5
95.01273	2.5
95.09586	0.5
96.95896	7.1
97.02803	0.9
99.00758	1.2
101.02326	18.2
113.02338	11.6
114.02625	0.5
117.05642	0.5
119.03401	4.7
123.04431	0.6
124.01528	0.6
125.02375	1.4
131.03358	0.9
137.02332	0.7
139.03883	1.0
143.03346	1.6
149.04402	0.8
161.04419	1.0
164.23788	0.6
165.01900	1.0
175.03868	0.7
179.05545	0.8
183.13881	0.9
185.21542	0.5
191.05540	1.4
195.13849	12.4
213.14912	4.4
231.03191	0.5
267.05243	0.7
302.37384	0.6
307.11108	0.6
357.19144	5.9
375.20224	54.9
376.20667	4.4
399.20081	1.4
417.21289	100.0
418.21619	10.3
444.60220	0.6
563.31116	0.9
623.32605	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
69.45139	2.5
69.45560	5.0
96.95901	3.1
107.01285	1.3
109.22108	0.7
109.57989	0.9
113.70087	1.0
122.07631	0.8
133.02827	4.7
134.03685	1.6
135.04405	47.7
136.04761	1.4
136.10838	0.8
138.38504	0.9
149.02312	1.0
151.00273	5.0
175.03946	1.0
183.04526	0.8
198.01608	1.0
199.03979	1.7
227.03419	2.0
250.09137	0.8
255.02945	77.7
256.03693	37.5
257.04071	2.2
283.02454	100.0
284.03201	71.2
284.06464	1.5
285.04001	74.4
286.04288	4.8
297.09671	1.0
419.07690	49.3
420.07996	5.5
446.08740	2.0
447.09439	1.9
557.16687	0.9
581.12921	27.1
582.13220	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03359	0.5
52.33632	0.5
59.01264	2.8
61.98725	0.7
63.02308	0.8
69.57973	0.5
70.30098	2.3
75.00768	0.6
78.21446	0.5
78.95794	1.0
79.95634	0.9
80.96393	4.0
83.01289	1.0
85.02826	1.2
87.00745	0.5
89.02333	0.9
93.03326	0.5
94.98003	0.8
96.95879	6.3
101.02338	0.6
101.37489	0.5
107.01272	1.1
109.02854	0.6
112.98724	0.5
113.02366	1.0
125.02340	1.1
132.02060	1.3
133.02858	4.0
134.03648	1.0
135.04422	43.8
136.04774	1.7
137.02362	1.2
140.07675	0.5
149.02357	0.5
151.00308	3.8
151.03970	0.6
164.98682	1.2
171.10214	1.0
175.03932	1.2
177.01884	1.3
178.02542	0.6
179.03384	1.2
183.04472	0.9
185.02284	0.7
191.05563	1.8
199.03894	1.3
217.05154	0.8
225.00670	1.8
227.03566	1.3
239.03415	0.7
255.02972	77.8
256.03705	30.4
257.04169	2.2
283.02475	100.0
284.03232	73.5
285.04019	72.5
286.04425	5.4
297.09747	1.2
419.07709	50.0
420.08105	5.6
424.43414	0.6
426.68213	0.6
446.08221	2.7
447.09033	2.4
459.57690	0.6
461.08560	0.6
581.13019	22.1
581.22241	1.1
582.13605	3.7
611.90350	0.5
625.25519	5.6
626.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20148	0.5
57.03310	0.6
59.01238	3.5
59.81723	0.5
71.01249	5.6
71.38396	0.8
72.07744	0.6
83.01292	0.6
84.57029	0.5
85.02826	5.5
87.00696	0.6
89.02319	1.5
95.01261	1.7
96.95920	0.7
101.02309	1.2
105.03310	0.8
107.07563	0.6
113.02332	12.3
117.03391	1.0
119.03332	0.6
119.81827	0.6
123.04440	1.2
132.02034	1.4
133.02849	36.6
134.03178	1.1
135.04416	14.3
153.05457	1.2
161.02347	100.0
162.02757	3.9
164.67793	0.5
169.74521	0.5
179.03432	4.1
188.28246	0.6
188.61615	0.5
207.10204	0.6
212.62061	0.5
461.16541	8.4
623.19739	49.3
624.20129	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	623.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22531	0.3
50.22845	0.3
57.03314	0.9
58.00454	0.3
59.01247	5.5
69.47788	2.4
71.01252	6.4
73.02808	0.8
85.02818	6.6
87.00770	0.4
89.02319	2.7
95.01268	2.8
95.04933	0.3
96.95895	2.7
99.00745	0.4
101.02328	1.4
105.03309	0.5
113.02325	12.2
115.01742	0.4
117.03323	1.0
119.03397	0.7
123.04422	1.9
132.02080	2.0
133.02843	37.5
134.03093	1.4
135.04410	13.5
136.04732	0.8
137.55255	0.3
153.05461	0.9
161.02341	100.0
162.02678	4.4
166.85043	0.3
179.03426	2.8
189.05695	0.3
263.12772	0.7
297.09991	0.4
315.10974	1.0
461.16647	8.6
462.16873	0.8
541.82233	0.4
564.17621	0.3
623.19739	43.7
624.20172	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	623.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50532	0.4
58.00459	1.6
59.01248	13.4
61.98675	0.6
65.66070	0.4
66.99988	0.5
68.99672	0.4
70.88229	1.2
71.01250	7.1
72.99185	1.0
73.02821	1.5
75.00726	0.7
78.95756	0.6
79.95602	3.8
80.96407	0.6
83.01257	1.1
85.02824	2.9
87.00738	0.5
89.02314	4.0
91.05406	5.1
92.05747	0.5
95.01256	1.0
95.48022	0.5
95.95107	3.1
96.95882	100.0
99.00748	0.7
101.02316	5.6
105.29197	0.5
112.62962	0.4
113.02316	4.8
115.05416	1.5
117.03341	17.0
118.03616	0.5
119.03359	0.9
119.04893	0.6
131.04904	1.6
135.04395	5.8
147.04459	0.5
149.05966	14.8
150.06285	0.5
159.04413	5.1
169.42873	0.5
177.05521	3.9
189.05457	1.1
207.10199	0.8
213.14810	0.7
217.00363	0.7
217.12335	0.7
218.50595	0.5
225.11307	1.1
235.13400	0.8
245.11655	0.7
325.07474	4.1
343.08649	0.6
425.29034	1.5
436.65872	0.5
487.12607	1.2
492.17935	0.6
505.13434	0.6
623.17969	74.5
624.18335	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82539	1.0
58.00464	1.5
59.01247	14.7
69.27126	4.6
69.27550	5.2
71.01237	8.4
72.99168	1.8
73.02795	1.1
78.95760	1.0
79.95584	5.5
80.96384	1.0
83.01234	1.2
85.02818	3.1
87.00748	1.2
89.02306	4.6
91.05403	5.2
95.95080	2.5
96.95884	100.0
101.02312	5.9
113.02321	5.9
115.05420	1.9
117.03343	16.4
118.03551	0.8
119.03448	1.0
127.66936	1.0
131.04912	1.9
135.04390	5.4
147.04523	1.4
149.05975	12.8
159.04440	5.1
177.05447	4.0
189.05580	1.5
191.05464	3.0
213.63803	0.8
235.13348	1.4
247.45787	1.1
266.36536	0.9
325.07556	3.5
329.23267	2.4
343.08795	0.9
471.29724	0.9
560.58221	1.1
623.17963	86.7
624.18298	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
58.73860	0.1
59.01247	0.3
63.02269	0.3
65.00201	0.2
69.96511	0.8
83.01236	0.4
85.02787	0.4
96.95882	0.8
107.01234	0.5
113.02296	0.2
128.03378	0.3
132.02022	0.2
133.02823	0.6
134.03612	0.4
135.04388	0.2
145.01495	0.2
151.00241	0.7
161.02321	1.3
181.97496	0.1
187.03993	0.2
199.03903	0.2
209.20461	0.1
211.03880	0.3
216.04178	0.2
222.97337	0.2
227.03452	0.6
239.03500	0.2
255.02963	5.1
256.03711	2.1
268.03934	0.2
269.04474	0.3
283.02441	1.3
284.03244	56.9
285.03650	4.5
297.04010	0.8
298.04663	0.5
299.05585	100.0
300.05920	7.0
341.06641	0.3
623.16156	1.0
624.16119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18575	1.2
57.03333	1.5
59.01251	100.0
61.98703	1.8
70.13083	6.1
71.01252	13.7
72.99177	1.5
73.02817	5.8
78.95761	2.2
79.16143	1.1
79.95600	1.9
83.01262	3.4
85.02835	6.5
87.00745	3.7
89.02315	5.2
96.95888	16.5
97.02868	1.7
98.95450	3.3
99.00747	2.3
101.02311	13.0
111.00797	1.7
113.02352	4.1
123.08048	1.9
133.02855	2.3
135.04369	2.0
137.02393	1.2
141.01654	1.4
149.00798	2.8
155.69827	1.4
161.02335	2.5
161.04448	3.0
161.06000	1.2
179.03384	2.7
217.00397	1.7
255.03078	2.6
277.21729	3.2
277.24774	1.6
283.02432	1.4
295.22720	1.8
381.09781	4.3
399.10831	1.7
421.26065	2.0
439.26871	5.3
446.08429	2.2
457.27948	7.6
475.29431	3.1
535.30994	2.8
577.32257	78.7
578.32770	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	621.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70564	0.6
56.86175	0.6
59.01248	100.0
63.94870	0.5
64.36785	0.5
68.31371	0.6
70.85174	0.6
71.01263	2.0
71.57731	0.5
71.58211	0.7
75.31721	0.6
78.95770	7.0
89.02319	4.3
101.02333	0.9
109.39463	0.6
113.02346	1.2
119.03410	1.6
152.99573	1.9
171.10266	0.8
179.05608	0.6
208.92990	0.9
215.52466	0.6
217.00351	0.8
291.19479	0.7
293.21368	0.8
309.20773	1.4
311.22333	2.0
383.67743	0.6
419.11023	0.6
561.19659	1.6
621.43488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
57.03311	1.3
58.54941	1.0
59.01252	33.0
69.59827	3.6
69.60234	2.4
71.01257	14.9
72.99194	1.5
73.02825	6.3
74.02370	1.8
83.01243	4.2
84.33376	0.9
85.02819	7.6
85.99995	1.1
87.00729	1.6
89.02343	4.3
95.01252	1.3
96.95889	6.0
99.00800	1.1
101.02313	12.6
111.34393	0.8
113.02322	6.5
116.92753	6.1
119.03388	1.2
128.84001	0.9
139.00581	0.9
143.03392	1.0
161.04480	1.2
195.75977	0.9
208.89803	0.9
211.13350	1.1
355.17639	2.5
373.18729	16.9
374.19150	1.4
415.19724	100.0
416.20065	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	620.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.6
61.98702	100.0
67.62724	0.2
71.01256	0.5
71.58646	0.3
72.99153	0.2
78.95791	0.4
87.00774	0.6
89.02339	0.3
96.95891	6.3
96.96497	0.3
98.95463	2.1
98.96169	0.2
98.96344	0.2
101.02300	0.3
112.98682	0.3
113.02319	0.2
118.74521	0.2
133.02867	0.2
152.99493	0.2
160.32524	0.2
161.02293	0.2
165.05516	0.2
165.48997	0.2
166.11903	0.2
175.03952	0.2
205.02417	0.2
217.12309	0.2
255.02937	0.2
256.38177	0.2
381.09738	0.3
486.82800	0.2
540.23370	0.2
562.72467	0.2
620.18243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12114	0.6
51.64312	0.5
51.64561	0.7
52.17824	0.5
52.23136	0.6
59.01257	4.2
65.74102	0.5
69.03328	1.0
71.01262	2.1
71.58905	1.0
85.02827	1.1
89.02296	0.8
91.80755	0.6
92.34274	0.7
95.01257	1.3
96.95895	10.6
98.95448	0.6
101.02294	0.8
102.56801	0.6
109.02832	2.4
111.00723	0.9
121.02872	0.9
123.00752	3.4
125.02312	1.5
133.02806	0.6
137.02345	11.0
149.02345	1.4
151.00275	24.0
151.03897	2.1
152.01015	1.3
152.04680	2.7
163.03859	0.7
165.01898	1.6
166.02637	68.9
167.03099	4.5
175.03947	1.4
177.01830	3.0
179.03455	0.9
181.04996	79.3
182.05263	3.7
184.03667	1.5
190.06276	1.5
191.03474	1.3
192.04156	0.8
193.04921	0.9
205.04979	1.3
205.08685	1.4
207.06598	1.5
219.06555	0.9
252.60040	0.6
255.03004	0.8
359.11414	2.0
371.15479	0.8
387.10849	17.2
387.15588	1.1
388.11276	1.8
402.13184	5.5
415.19690	3.6
417.15549	100.0
418.15912	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	619.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85551	0.5
71.13018	1.1
79.95612	7.8
80.96362	1.0
95.95107	9.7
96.95889	100.0
109.12780	0.5
110.97490	3.8
138.96996	0.6
141.95662	0.9
142.18355	0.5
168.00136	0.5
179.07100	0.8
231.03235	1.9
245.01256	1.6
259.02835	3.8
260.03561	16.0
261.04129	1.3
273.04352	3.8
287.06052	1.1
457.11700	12.0
458.11697	1.0
619.16974	56.1
620.17395	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	619.2549
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.71638	1.8
71.58389	2.3
72.04894	2.0
74.70441	1.8
78.95786	8.3
105.24129	2.2
120.02525	2.0
152.99493	6.0
169.53201	2.2
232.67221	1.9
243.25992	2.0
255.23378	6.4
367.37045	2.4
372.43530	2.1
401.14380	2.2
416.16510	10.8
459.18228	100.0
460.18536	13.2
462.17776	2.2
473.19666	12.5
474.20499	6.8
503.17157	3.5
518.19574	41.9
519.19940	8.4
532.21094	6.8
533.21967	83.5
534.22247	16.2
587.23010	4.5
589.70660	2.2
619.25653	60.4
619.35638	4.2
620.26245	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	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61263	0.4
55.99357	0.5
59.01253	4.2
68.58676	0.5
69.93468	1.9
71.01235	1.7
73.02824	0.9
73.62447	0.5
74.62093	0.4
79.95563	0.5
85.02818	0.7
87.00726	0.5
89.02310	0.9
93.03348	1.0
96.95894	13.8
98.95511	1.0
101.02335	1.3
107.01282	1.0
117.03331	1.6
123.00759	0.7
150.03140	0.7
151.00273	2.5
157.76469	0.5
159.04265	0.8
165.01866	0.6
169.06500	0.7
171.04379	0.8
175.31499	0.4
182.02090	1.5
183.04388	3.2
185.02429	0.9
185.05980	0.6
187.03976	0.7
191.05522	1.6
195.68187	0.4
197.04393	2.7
211.03893	3.3
213.05389	0.8
215.03378	0.8
227.03448	3.6
229.05141	0.8
239.03436	0.6
243.02831	0.6
255.02969	48.1
256.03418	2.9
257.04462	1.2
283.02469	100.0
284.02863	9.8
285.04037	27.5
286.04327	1.5
384.72610	0.5
413.17920	1.1
415.19650	2.1
427.04831	0.5
430.09058	36.0
431.03723	0.9
431.09705	17.9
432.10135	1.4
457.65515	0.6
473.10880	3.3
501.00485	0.5
513.80029	0.5
619.16693	47.6
620.17096	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	619.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36449	0.3
54.86807	0.4
59.01249	0.7
64.47472	0.3
67.91712	0.3
69.27551	3.7
74.34571	0.3
83.01263	0.7
86.42754	0.4
93.03355	1.3
96.95889	6.5
98.95522	0.4
107.01283	0.8
117.03356	0.7
123.00814	0.5
143.04875	0.5
151.00267	1.3
154.04185	0.8
155.04955	1.1
159.04395	1.2
163.00314	1.0
169.06491	2.7
171.04436	0.7
173.02368	0.6
182.03647	0.5
183.04477	2.3
185.02425	0.5
185.05983	1.3
187.03923	1.4
189.05479	1.7
191.05804	0.4
195.04355	0.7
199.03987	0.8
208.25539	0.4
211.03998	2.5
213.05524	2.6
214.02661	1.1
215.03427	1.0
227.03433	4.7
229.05040	1.4
230.22284	0.4
239.03430	1.0
241.05008	0.4
243.02940	1.0
255.02962	34.6
256.03439	3.2
257.04611	2.9
267.02863	0.5
283.02478	76.4
284.02994	9.5
285.04047	100.0
286.04419	7.7
327.05075	0.4
387.81653	0.4
414.09579	0.4
430.02960	0.6
430.09000	22.1
431.09793	61.1
432.10144	7.7
473.10699	4.2
474.11508	0.6
573.69537	0.5
619.16669	45.1
620.17023	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	617.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07980	1.4
59.01246	7.7
61.98668	2.5
69.27001	3.6
69.27412	12.8
71.01248	3.1
75.15842	1.5
78.95760	4.0
85.02863	1.8
89.02333	2.6
96.95894	4.1
98.19744	3.2
101.02323	2.5
113.02322	7.6
119.03383	2.3
183.13829	13.7
195.13834	22.1
207.05136	2.2
213.14899	100.0
214.15190	5.6
265.14880	1.8
399.11002	1.6
409.29587	95.1
410.29999	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05629	0.1
59.01234	0.6
61.98695	0.2
63.29136	0.1
65.00196	0.2
71.01254	0.3
71.58046	0.3
71.75517	0.1
76.80691	0.1
78.58793	0.1
78.95769	0.2
79.95602	3.3
80.96395	0.2
83.01258	0.2
85.02830	0.1
87.00740	0.7
89.02336	0.2
89.90948	0.1
93.03326	0.2
96.95884	100.0
97.95811	0.5
98.95467	0.3
101.02325	0.2
107.01292	0.2
108.14246	0.1
109.98920	0.1
125.02369	0.3
135.04393	0.2
148.31873	0.1
151.00223	0.4
171.10162	0.2
173.09621	0.4
189.09277	0.2
191.05531	0.3
209.11694	0.2
215.10757	0.2
223.12656	0.2
308.08118	0.6
348.05942	0.6
355.05069	0.7
431.18811	0.1
445.05542	1.1
446.05911	0.2
447.07693	0.2
458.34781	0.2
473.05106	1.0
474.05399	0.3
488.76105	0.1
555.05212	0.1
617.16943	11.7
618.17194	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	617.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50204	0.2
59.01247	1.3
60.49357	0.2
69.27998	2.0
69.28406	0.5
71.01245	0.7
72.99243	0.2
73.02825	0.3
78.95779	0.7
79.95608	3.5
82.28963	0.2
86.02906	0.3
87.00755	1.0
95.88432	0.2
96.95886	100.0
98.19804	0.4
118.96539	0.3
125.06017	0.3
141.69151	0.2
149.00792	1.2
171.10190	2.0
171.11545	0.4
201.11176	0.3
209.11769	1.1
227.12848	0.6
300.13654	0.3
327.21649	0.8
356.58173	0.2
359.59714	0.3
441.22736	0.4
488.30722	0.2
617.16937	19.8
618.17218	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	617.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06274	0.2
59.01234	1.0
65.16811	0.2
70.70556	0.2
70.70883	0.5
71.01242	0.8
79.95601	2.7
80.62636	0.2
83.04906	0.4
85.02842	0.2
87.00729	0.5
89.02323	0.2
96.95882	100.0
97.95808	0.4
100.70090	0.2
101.02311	0.4
106.04116	0.5
107.04882	0.4
107.28841	0.2
108.01981	0.2
111.04377	1.7
112.98675	0.2
113.02322	0.2
119.04891	0.4
123.04399	0.4
133.02835	2.4
135.04420	0.2
136.42136	0.2
147.04384	0.7
149.00838	0.3
151.03906	0.9
161.06000	0.4
163.07542	0.3
165.05482	1.7
171.10252	0.9
171.11542	0.2
173.09637	0.3
173.13249	0.8
175.03925	4.7
175.07477	0.3
191.10687	0.2
193.04977	3.3
195.92818	0.2
199.11205	0.3
201.00050	0.2
205.05023	0.3
209.11723	0.6
217.12263	4.9
226.78902	0.2
227.12869	0.2
253.07170	0.5
261.11282	8.7
262.11624	0.7
344.16357	0.2
475.21414	0.4
561.90918	0.2
594.82690	0.2
617.16876	10.9
618.17084	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	617.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.1
59.01250	0.3
69.87829	0.4
69.88235	0.2
71.01237	0.2
72.99157	0.1
75.00760	0.3
78.95770	0.1
79.95610	2.7
80.96388	0.3
85.02828	0.4
95.95116	0.4
96.95893	100.0
97.95827	0.3
98.20496	0.1
113.02361	0.2
119.17717	0.1
119.40909	0.1
121.22936	0.1
125.02329	0.1
152.99557	0.1
157.33325	0.1
171.10133	0.2
191.10690	0.3
210.99707	0.1
381.26746	0.2
475.08325	0.1
476.64218	0.1
493.22113	0.2
519.19537	0.2
534.54071	0.1
537.21021	0.3
617.17004	2.5
617.37067	1.0
618.17310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.17
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
69.48512	0.1
69.48841	0.8
79.95613	2.7
80.96430	0.1
95.95111	0.1
96.95891	100.0
97.95831	0.2
98.95477	0.1
104.90237	0.1
108.16250	0.1
119.53349	0.1
143.33353	0.1
173.30531	0.1
191.10727	0.1
318.29282	0.1
365.51706	0.1
369.80679	0.1
416.67502	0.1
555.47534	0.1
607.85052	0.1
617.16956	2.0
618.17206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93280	0.8
59.01252	13.0
69.03330	0.8
69.44408	3.9
69.44841	3.2
71.01244	10.0
72.99187	1.5
73.02831	4.1
74.79627	0.7
75.00728	1.0
79.95603	2.4
83.04911	2.1
85.02802	0.9
87.00703	1.0
89.02324	17.9
94.62978	0.8
96.95893	100.0
97.02830	1.6
98.95496	0.8
99.00752	5.3
101.02319	8.5
101.47266	0.8
110.97491	0.7
111.04402	10.5
113.02352	2.0
123.04449	1.5
125.02326	4.9
126.60222	0.9
131.03391	3.0
143.03391	1.0
145.02931	1.5
149.04463	13.6
151.07552	1.0
163.07524	2.5
173.13286	5.7
175.07556	2.7
189.12805	1.1
191.05591	4.0
199.11229	1.9
217.12291	33.9
218.12671	2.5
261.11313	70.3
262.11673	4.5
274.59488	0.8
275.07742	1.8
293.08884	2.2
303.12399	6.2
333.13269	2.4
337.04120	0.8
345.13507	1.0
615.15167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88808	0.1
53.48404	0.1
64.41490	0.1
70.81898	0.3
78.95776	2.2
79.95607	2.4
96.95885	100.0
96.96882	2.5
97.95810	0.2
107.36996	0.1
127.15922	0.1
152.99527	0.2
171.10252	0.1
216.78728	0.1
328.18118	0.1
482.17285	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.1
59.60222	0.1
61.43031	0.1
66.07420	0.1
71.53725	0.1
72.54109	0.1
78.95775	2.4
79.95605	2.2
87.96593	0.1
89.67805	0.1
96.95887	100.0
96.96874	2.7
97.95821	0.2
152.99471	0.3
279.23450	0.2
349.22470	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45972	0.1
59.01252	0.2
71.59328	0.2
78.95766	1.7
79.95602	2.0
81.08967	0.1
96.95883	100.0
96.96873	3.2
97.95820	0.4
100.89822	0.1
121.02821	0.3
121.66415	0.1
121.92846	0.1
152.99393	0.1
217.00163	0.3
263.37305	0.1
277.21701	0.2
391.64691	0.1
410.12125	0.1
489.06024	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.2
67.17839	0.2
71.14361	0.4
74.14653	0.2
78.95774	2.4
79.95609	2.2
87.70109	0.2
89.89508	0.2
96.95892	100.0
96.96882	2.9
104.88060	0.1
105.00134	0.1
152.99500	0.3
169.23216	0.2
193.06528	0.2
193.12967	0.2
227.02811	0.2
356.65115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.2
69.03363	0.1
71.01234	0.2
71.57525	0.2
78.95763	0.5
79.95606	2.7
80.73006	0.1
80.96418	0.1
92.80920	0.1
96.95885	100.0
97.95831	0.3
125.07376	0.1
135.04355	0.1
148.43210	0.1
171.10289	0.2
174.43536	0.1
193.08347	0.2
199.58340	0.1
213.14876	0.4
249.29868	0.1
270.93591	0.1
272.21982	0.1
467.63144	0.1
471.20157	0.1
551.85120	0.1
591.28217	0.1
615.15198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65617	0.4
58.02841	6.0
59.01237	2.3
61.98686	0.5
70.02839	1.1
70.05441	0.4
71.01244	1.2
71.58546	0.8
72.00768	1.2
74.01920	0.6
74.02339	12.1
81.04443	1.3
82.02853	1.3
84.04401	0.5
86.02351	5.4
86.05986	1.0
86.98963	1.4
87.05499	3.5
88.03950	0.5
89.02299	0.6
90.00049	1.3
96.95894	5.5
97.03951	1.5
99.05518	11.2
101.02294	0.6
101.07056	1.8
102.05470	1.9
107.06030	1.0
109.03932	1.6
109.07576	0.8
111.05537	1.1
112.03922	1.5
112.98706	0.6
113.02370	0.5
113.03449	0.6
116.01633	0.6
123.05523	0.9
124.03881	0.7
125.03429	1.5
127.04990	1.9
128.03426	31.6
129.03726	0.9
131.04485	0.6
133.02805	0.5
135.04532	0.7
135.05530	3.5
135.22249	0.5
137.07092	0.8
141.06577	2.7
143.04520	44.3
144.04857	1.1
145.06068	2.1
146.04482	3.7
146.17911	0.4
153.06610	3.2
155.08246	0.8
160.00644	12.2
161.04463	0.6
166.09743	1.6
167.04544	3.7
167.08156	1.9
170.03204	0.9
171.03917	0.7
171.07680	0.7
177.03316	4.9
179.04558	8.4
181.06139	1.4
184.10835	0.8
185.05618	1.7
192.07799	0.9
197.05577	1.6
198.08813	1.0
210.08769	8.3
213.03235	0.5
217.00247	0.9
225.11304	0.5
231.04153	0.5
242.07811	1.5
254.07799	10.4
255.08293	0.8
272.08871	20.5
273.09024	0.6
288.06589	8.3
305.49197	0.5
306.07632	100.0
307.07928	6.3
535.19623	0.6
615.15027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
57.55684	0.4
59.01240	1.3
60.57139	0.4
69.83614	1.6
69.84027	0.8
71.89303	0.4
78.95770	1.2
95.04903	5.8
97.06440	0.8
110.38988	0.4
113.09621	2.6
152.99443	0.8
177.12773	0.5
179.14452	0.9
195.13850	15.5
196.14137	0.9
217.12033	0.6
227.30205	0.4
231.21245	0.5
237.14828	0.4
246.12402	0.5
247.09494	0.8
249.11055	1.2
249.22249	1.1
251.12555	0.4
255.23247	0.9
259.20523	0.5
277.21738	14.8
278.11325	6.3
278.22040	0.8
279.12006	0.4
281.13672	0.5
295.22784	100.0
296.23145	8.2
299.19934	0.7
315.19324	1.2
317.20972	45.4
318.21310	5.4
361.19971	5.6
613.44305	17.8
614.34717	0.6
614.44543	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	613.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23475	0.9
59.01249	5.9
64.22363	1.1
69.42944	5.6
69.43357	2.8
71.01257	2.0
87.92405	8.0
92.91881	1.6
96.95908	5.1
97.02815	2.1
102.38731	0.9
103.91891	17.1
105.93479	1.7
108.91370	2.4
122.89306	48.5
123.94524	6.0
135.21866	0.9
141.91145	1.2
161.02428	1.1
162.92464	2.4
163.07588	1.5
169.10078	1.4
171.11711	2.2
173.13277	6.4
174.46346	1.0
179.03439	1.6
182.60915	1.1
188.94089	5.9
217.12302	13.4
218.12422	1.2
252.97165	1.1
261.11215	1.8
263.02893	1.9
277.00940	1.0
281.03845	1.2
305.00406	1.5
306.07605	1.5
307.01889	7.2
308.02612	2.8
309.03525	3.7
325.03189	5.0
351.00906	2.1
352.01648	15.1
353.02197	1.9
369.02002	2.1
384.00647	3.5
471.48444	1.2
481.15781	5.1
525.14996	19.3
526.15613	1.5
569.13922	33.7
570.14172	4.5
612.27545	1.3
613.12939	100.0
614.13214	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	613.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56561	0.8
59.01245	2.9
61.98687	1.2
68.25014	0.7
71.01250	2.5
71.13194	1.3
71.13544	1.8
72.85464	0.8
78.95742	1.0
82.08742	0.8
85.02831	1.5
89.02308	1.0
93.03327	2.8
96.95886	29.4
109.02835	2.6
119.04903	4.4
121.02869	6.5
122.03642	4.6
123.00748	1.3
124.01558	0.9
133.02866	1.3
134.03613	2.5
135.04448	4.6
136.01529	11.0
137.02345	21.4
138.02681	1.2
139.24054	0.8
145.02821	1.6
145.50636	0.9
147.00667	1.0
147.04436	1.5
149.02322	7.4
150.03116	20.4
151.00253	3.4
151.03918	14.0
152.00999	2.0
152.04602	1.2
159.04315	1.0
161.02383	1.7
161.06052	0.8
162.03064	1.2
163.03935	2.1
164.01059	2.9
164.04663	1.6
165.01840	100.0
165.05475	23.3
166.02580	13.9
167.03337	3.6
173.02307	1.0
175.03922	3.5
177.01793	1.1
177.05521	1.9
179.03404	22.9
179.06868	1.0
180.04189	60.5
181.04988	16.1
182.45752	0.8
187.03955	1.6
188.04599	1.0
189.05498	1.9
190.02502	1.0
190.06252	5.0
191.03659	1.0
191.05516	5.5
192.04228	1.2
194.05809	5.0
195.06554	90.7
196.06889	4.1
205.04979	2.1
205.08713	1.2
210.05246	12.0
223.09682	0.9
225.07628	59.8
226.07851	2.0
259.02563	1.1
327.08679	1.1
329.10214	1.6
356.12689	1.8
357.09744	1.7
357.13394	7.6
359.11383	3.0
372.11996	1.5
373.12814	1.2
386.13959	1.6
387.14529	28.9
388.14896	2.0
403.14114	1.4
417.15430	6.1
493.21637	1.2
531.28485	1.3
535.20721	4.4
547.19873	1.1
548.86841	0.9
565.20770	55.8
566.21069	11.6
613.22162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66135	0.5
58.29891	0.5
59.01247	1.0
69.51063	0.5
71.01246	0.8
71.58776	0.8
78.95779	28.4
79.95609	4.0
96.95889	100.0
96.96841	40.5
98.02378	2.7
98.90521	0.5
103.43163	0.5
114.89153	0.5
118.96471	1.2
136.84657	0.5
137.25084	0.5
186.47832	0.6
189.00856	0.6
194.93719	0.7
200.71365	0.5
217.00323	0.5
221.18265	0.5
253.09209	1.7
273.62991	0.5
277.21729	8.3
291.04044	0.7
322.64514	0.6
351.06079	3.5
431.22910	0.7
551.25500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52397	0.7
57.03311	1.1
59.01258	3.9
60.01561	0.8
61.98664	0.9
71.01266	1.6
71.58439	1.4
77.80396	0.7
78.95776	68.6
93.03325	1.3
96.95908	3.7
96.96838	11.1
113.09605	2.2
133.02840	0.8
135.04442	2.7
150.97888	1.1
152.99489	80.8
153.99864	1.4
171.00569	1.7
179.03348	1.3
179.14400	1.1
195.13849	19.8
196.14230	1.3
204.17297	0.9
223.00072	7.4
241.01158	27.9
242.01526	1.0
259.02145	2.4
262.73743	0.7
277.21698	17.5
278.22183	1.1
293.21182	1.2
295.22794	59.4
296.23065	4.4
315.04822	13.1
333.05960	1.6
449.23578	0.9
556.55542	0.8
611.28333	100.0
612.28729	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	611.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30816	0.2
54.20228	0.2
55.01748	0.7
57.03318	0.6
58.00456	0.9
59.01250	18.5
61.98702	0.2
66.14532	0.2
69.03323	0.7
71.01250	14.9
72.95342	0.2
72.99173	0.8
73.02816	2.4
75.00757	0.4
78.95767	0.3
81.03339	0.6
83.01263	1.4
85.02821	3.4
87.00751	3.0
89.02315	12.8
89.60162	0.2
91.03872	0.2
95.01262	1.4
96.95866	0.4
97.02824	2.3
97.06461	0.2
99.00763	1.0
101.02319	11.2
102.02653	0.4
103.00293	0.2
109.02852	0.2
111.00751	0.3
111.04395	0.4
111.63792	0.2
113.02328	5.6
115.03893	0.4
119.03385	3.5
121.02833	0.3
125.02332	4.4
127.03942	0.2
131.03389	0.4
133.04945	0.6
135.04413	0.3
139.03886	0.3
141.01851	0.2
141.03896	0.2
143.03413	2.1
149.04478	0.3
161.04453	2.2
167.03391	0.2
169.05058	0.2
177.12764	0.3
179.03960	0.3
179.05507	2.5
183.13824	15.1
184.14212	0.6
185.04401	0.3
195.13828	13.7
196.14111	0.9
211.13362	0.4
213.14896	100.0
214.15244	5.9
219.25749	0.2
220.41911	0.2
221.06621	1.1
235.08174	4.6
245.06648	0.3
253.09251	1.6
263.07663	0.6
277.09259	0.3
287.07605	1.0
305.08923	1.1
323.09808	0.5
359.97141	0.2
397.13474	26.6
398.13834	1.9
415.14542	19.7
416.14771	1.4
506.33817	0.2
595.41827	0.2
611.29413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84334	0.3
59.01234	1.0
66.91040	0.4
70.51911	1.3
71.01241	1.1
78.95776	15.5
79.95615	2.7
88.72008	0.4
95.97547	0.4
96.95890	100.0
96.96817	26.3
98.02351	1.6
98.90594	0.7
118.96503	0.9
128.62610	0.4
132.98077	0.5
159.83221	0.5
160.97487	0.4
189.00696	0.5
196.42375	0.4
217.00119	0.5
253.09232	1.1
277.21689	9.1
278.22076	0.8
291.03918	1.0
333.04950	0.7
351.06049	3.9
407.17694	0.7
450.71075	0.4
457.02838	0.4
551.25403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
59.01252	2.6
69.03325	0.3
69.35761	2.1
69.36168	1.0
71.01243	1.1
72.99196	0.5
73.02811	0.5
79.95621	0.3
85.02834	1.0
87.00761	1.0
93.03316	0.5
95.04911	0.3
96.15361	0.3
96.95891	5.6
97.06471	6.2
98.19813	0.8
101.02331	0.9
109.02886	0.4
113.02261	0.4
123.08041	3.5
125.09615	58.0
126.09983	1.7
135.04364	0.4
143.10692	1.1
149.00856	0.6
153.01845	0.3
169.08617	1.1
177.99611	0.4
179.03419	0.4
184.80800	0.3
187.09685	100.0
188.10027	3.7
191.05533	2.6
226.89264	0.4
261.11066	0.4
271.02429	1.2
299.01965	2.2
300.02438	0.4
315.70218	0.4
400.80679	0.4
520.64111	0.4
551.30884	1.7
569.31641	1.4
578.17181	0.4
611.32666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26297	1.3
57.03325	2.8
59.01253	82.7
70.60429	5.6
71.01249	22.7
72.99171	4.0
73.02815	4.2
83.01244	2.3
85.02834	5.3
87.00766	4.0
89.02318	18.2
94.96230	1.4
96.95914	5.8
99.04391	10.3
101.02327	13.0
113.02332	9.3
119.03404	4.7
131.03394	2.0
150.03156	4.0
151.80344	1.4
165.01764	2.3
165.05534	2.9
165.12747	4.7
179.03397	1.7
179.05571	2.5
189.12781	3.0
195.06532	2.7
201.55260	1.7
207.13844	15.2
209.11771	30.6
221.29626	2.0
225.14954	9.6
227.12883	7.7
232.36110	1.7
251.12859	10.8
269.13925	74.1
270.14288	3.6
285.03940	4.5
286.04153	3.2
287.04642	3.0
287.14886	6.2
311.15012	2.5
316.02411	2.8
321.13486	2.1
341.10724	2.3
411.16370	1.9
431.19241	16.3
432.19385	2.5
449.20267	100.0
450.20541	7.7
531.41443	2.1
567.29419	2.1
611.25055	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	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26297	1.3
57.03325	2.8
59.01253	82.7
70.60429	5.6
71.01249	22.7
72.99171	4.0
73.02815	4.2
83.01244	2.3
85.02834	5.3
87.00766	4.0
89.02318	18.2
94.96230	1.4
96.95914	5.8
99.04391	10.3
101.02327	13.0
113.02332	9.3
119.03404	4.7
131.03394	2.0
150.03156	4.0
151.80344	1.4
165.01764	2.3
165.05534	2.9
165.12747	4.7
179.03397	1.7
179.05571	2.5
189.12781	3.0
195.06532	2.7
201.55260	1.7
207.13844	15.2
209.11771	30.6
221.29626	2.0
225.14954	9.6
227.12883	7.7
232.36110	1.7
251.12859	10.8
269.13925	74.1
270.14288	3.6
285.03940	4.5
286.04153	3.2
287.04642	3.0
287.14886	6.2
311.15012	2.5
316.02411	2.8
321.13486	2.1
341.10724	2.3
411.16370	1.9
431.19241	16.3
432.19385	2.5
449.20267	100.0
450.20541	7.7
531.41443	2.1
567.29419	2.1
611.25055	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	611.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01250	11.0
60.01586	0.3
69.47033	1.4
69.47459	0.9
71.01257	2.9
72.10515	0.2
72.99175	1.9
73.02814	3.0
79.95607	0.9
83.01256	4.9
85.02822	0.7
87.00774	0.6
88.98692	0.3
89.02316	1.0
91.05405	0.4
93.03337	0.3
93.06887	0.3
95.01252	0.3
95.95106	0.3
96.95893	4.5
99.00760	0.3
101.02320	2.9
107.04890	1.4
113.02324	1.1
120.99548	1.0
125.02340	0.7
132.35255	0.3
133.02827	0.4
134.03641	3.6
135.04413	100.0
136.04752	4.4
161.04533	0.4
167.10687	1.1
173.00879	0.2
179.03415	88.0
180.03767	4.2
191.05473	0.4
193.04968	0.4
207.13815	0.5
209.11722	1.0
213.14874	0.4
225.14928	1.2
227.12831	5.5
228.13297	0.4
233.11832	0.5
251.12837	1.0
269.14035	2.4
287.14966	7.0
288.15451	0.4
311.14865	0.5
323.07581	0.7
329.15994	1.0
341.08755	1.7
353.16205	0.7
371.17206	1.2
383.09967	1.6
384.49756	0.3
394.08270	0.3
395.53067	0.3
413.18054	0.7
431.19153	7.2
431.24649	0.5
432.19412	0.9
479.08746	0.3
505.13632	0.3
506.34280	0.4
507.34091	0.4
551.21979	0.3
593.22437	0.8
611.23364	17.4
612.23792	2.8
629.81805	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	611.2127
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
50.26667	0.9
58.49641	1.0
59.01227	1.9
68.99681	16.3
71.01237	2.6
79.95571	2.1
80.96394	8.7
93.03275	2.9
94.97926	1.8
95.01205	3.7
96.95882	5.7
97.02786	1.6
109.02761	3.8
121.02774	2.4
123.00761	9.3
125.02314	10.6
134.03571	2.2
135.00710	1.1
135.04364	2.1
136.00681	1.1
136.01537	14.9
137.02377	7.9
137.99416	1.4
138.03114	22.2
138.37033	1.2
139.03801	4.1
147.00699	2.2
148.98962	1.6
149.02248	4.0
151.00185	3.0
151.03897	19.7
152.98439	1.1
153.01854	12.4
153.05476	31.9
155.03238	1.4
160.01402	2.0
161.02293	1.9
162.03069	2.3
163.00157	3.1
163.03845	2.2
164.04549	1.4
164.98511	2.0
165.01862	11.9
166.02666	8.7
168.04195	56.5
169.04419	1.5
175.00258	9.8
175.03716	2.1
176.01073	27.1
177.01874	16.0
177.05458	1.5
178.02592	10.8
179.03262	3.2
180.04063	4.7
181.04993	10.0
191.03426	25.4
191.05144	2.0
192.04198	31.4
193.01357	24.6
193.04955	13.1
194.01584	1.5
195.06371	2.8
197.04414	1.5
205.04561	1.2
207.06551	41.6
208.03705	40.9
208.06648	3.1
209.04359	6.0
223.06061	100.0
224.06465	6.6
225.00662	2.7
225.07498	3.8
230.64659	1.9
231.50948	1.2
238.04785	5.2
255.02773	1.5
257.04413	1.4
283.02139	1.8
284.03021	1.3
329.10150	1.4
357.09476	2.8
372.11737	1.9
377.12097	1.3
387.10297	1.1
387.14462	15.8
388.14227	1.3
409.92398	1.1
449.14569	1.5
555.27789	1.2
581.20038	2.5
590.07367	1.2
611.20544	37.2
612.20880	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	609.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95378	0.9
59.01247	4.8
61.66920	0.8
67.25800	0.8
69.84535	5.5
71.01262	1.5
72.58179	0.8
78.95780	8.3
95.04902	3.9
96.95866	2.0
96.96854	1.9
108.06042	0.9
109.06490	1.7
121.10126	28.0
125.09637	1.2
127.11169	1.1
133.02859	1.0
149.09578	1.6
171.10185	66.8
172.10518	3.3
181.42471	1.1
183.13803	2.1
185.11716	3.0
190.12064	1.0
193.08376	1.4
207.09941	3.2
209.07852	1.2
211.13474	0.9
223.13301	4.0
229.19582	1.6
231.21124	5.0
275.20157	89.4
276.20486	7.0
278.11325	10.9
293.21234	100.0
294.21573	8.5
297.18304	2.7
297.77426	1.3
313.18082	1.2
315.19403	52.5
316.19733	4.4
329.17279	2.2
346.05655	3.4
347.05884	1.1
359.18335	11.9
360.19208	1.4
487.28754	2.2
489.42465	1.3
602.03339	1.1
609.41223	82.0
610.41687	17.5
613.58582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.4
69.91115	12.9
71.80398	16.5
75.58203	15.5
77.78658	15.1
78.95770	100.0
96.95869	47.1
152.99437	65.6
191.05598	23.5
277.21695	32.7
278.21838	21.2
279.22498	18.2
354.21350	16.8
426.58783	15.2
457.95566	16.1
539.63428	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	609.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38515	0.5
54.95665	0.5
57.80324	0.6
58.26767	0.5
59.01246	1.9
65.45241	0.5
71.01254	10.3
71.29251	0.8
78.95771	1.0
80.96397	1.3
96.95863	1.0
116.11247	0.6
116.83979	0.5
125.26231	0.6
127.07542	1.2
140.10805	0.5
148.05206	0.6
151.07558	1.1
152.99481	0.6
164.08308	0.8
167.57050	0.5
169.11797	0.5
170.85773	0.6
177.09149	4.1
181.59195	0.5
192.11479	9.0
193.12094	0.8
193.64938	0.5
201.15742	0.6
205.12279	4.7
207.13748	1.5
218.09465	3.2
220.14627	67.7
221.15404	100.0
222.15742	6.9
231.17491	7.8
235.13319	2.8
236.10495	84.0
237.10884	5.0
251.29346	0.7
253.14552	0.6
258.08469	1.1
275.12759	4.4
275.16464	5.5
293.17606	21.9
293.20825	1.0
294.17792	1.6
315.15759	3.4
334.07397	3.3
387.17896	1.9
492.06110	3.2
495.66678	0.6
536.31311	2.2
537.32086	1.8
558.78131	0.9
591.33105	3.5
609.34058	66.0
610.34412	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	609.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59068	1.5
52.81816	1.5
55.01744	1.6
57.03313	5.9
59.01247	100.0
69.36797	12.2
69.37213	3.0
71.01244	17.1
72.99162	2.9
73.02828	8.0
77.62392	1.8
83.01247	4.1
85.02830	11.1
87.00737	3.1
89.02307	3.6
95.01254	2.6
96.95892	16.1
99.00766	2.8
101.02302	10.5
101.55249	1.7
113.02332	10.9
125.02338	3.3
135.04308	2.9
143.10666	2.2
151.03896	2.4
161.02321	8.6
161.04468	2.3
164.04663	3.3
172.76753	1.6
176.04692	5.0
177.01802	3.1
177.05466	2.2
179.03366	9.2
180.03792	1.8
191.07083	2.2
194.05789	11.5
209.08122	30.0
211.13222	4.0
244.87888	1.6
273.32278	1.8
301.20233	5.7
315.25659	2.0
361.22269	9.4
361.29434	7.8
447.07214	2.7
505.33777	72.9
506.33936	9.3
523.34912	24.3
524.35138	2.9
565.35510	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	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.8
59.01249	37.1
60.02699	1.7
63.05381	1.7
69.33339	8.9
69.33774	8.5
71.01249	50.4
73.02813	13.4
75.00746	2.8
78.95765	4.2
83.01238	2.9
85.02813	15.6
87.00761	5.2
89.02312	36.7
93.03358	3.1
96.95885	26.5
97.02850	2.6
99.00777	9.6
101.02313	28.6
113.02350	12.8
119.03375	5.0
125.02341	6.3
131.03384	5.1
135.04306	3.3
143.03381	3.6
149.04434	5.7
151.03882	4.5
161.04471	5.1
165.05469	2.1
175.03918	4.1
179.03386	2.1
191.05487	6.4
193.05081	2.9
197.30894	2.0
211.13263	6.3
214.67407	2.2
242.80870	2.0
285.03967	13.0
299.05441	2.1
299.71793	1.9
397.13361	3.2
415.14355	2.1
417.24921	12.6
549.29108	100.0
550.29529	13.5
609.14960	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	609.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.8
59.01251	60.8
63.75290	2.1
67.51160	2.2
69.03337	2.5
71.01251	41.7
71.57593	3.6
72.99178	3.2
73.02817	44.8
74.03951	1.9
81.03323	3.4
83.01265	13.4
83.04919	2.2
85.02824	7.3
87.00737	6.3
89.02307	5.9
96.95876	26.2
97.06455	3.1
101.02329	34.0
112.98674	2.4
113.02337	13.7
119.03365	3.4
125.09598	17.5
133.02834	2.4
143.03313	2.9
149.04454	2.5
151.03934	3.6
161.04430	9.8
169.85246	2.5
181.15874	2.8
187.09692	10.1
205.04823	2.6
207.13873	2.8
225.14915	100.0
226.15262	4.5
262.19699	2.1
269.13910	7.7
284.03323	4.4
285.04071	2.1
299.05496	4.2
300.02725	2.4
315.05072	4.6
329.37805	2.3
343.17542	10.6
361.22296	6.2
387.27371	2.2
425.05823	2.2
473.20261	6.3
491.21320	18.7
505.23077	2.3
523.23749	6.1
565.24866	59.8
566.25140	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40731	1.2
57.03313	1.6
58.57544	1.4
59.01249	50.6
66.43397	1.1
68.99685	9.6
69.03328	2.1
71.01250	20.8
71.70742	1.4
72.99169	3.0
73.02817	6.4
78.95761	1.6
83.01243	4.1
85.02823	12.1
85.99945	1.5
87.00756	3.0
89.02309	5.0
93.03313	3.5
95.01257	8.4
96.95904	10.0
97.02782	2.4
99.00743	2.5
101.02312	12.2
105.03285	1.3
106.04099	1.9
107.04913	6.4
108.02033	2.9
109.02815	4.3
113.02329	17.9
119.03394	1.7
119.04903	3.1
121.02821	5.1
122.03630	1.4
123.00771	20.2
123.04389	5.0
124.01508	3.8
125.02322	15.7
132.02040	2.5
133.02849	11.3
135.04382	3.7
136.01582	2.3
137.02313	7.0
138.03122	39.1
139.00270	3.0
139.03947	5.7
143.03397	2.2
147.00740	2.1
147.04387	4.2
149.02292	4.8
150.03113	3.0
151.03911	51.3
152.04236	3.0
153.01862	9.1
153.04224	2.1
153.05475	40.0
160.01593	3.4
161.02325	3.8
161.04451	1.3
161.05891	1.6
162.03017	3.3
163.00243	6.3
163.03891	3.7
164.01054	3.1
165.01813	14.9
165.05482	11.6
166.02484	2.6
166.06245	5.1
168.04213	19.2
175.00320	7.6
175.03914	36.8
176.01059	26.9
177.01851	13.0
177.05492	3.4
178.02625	15.0
179.03413	23.6
180.04218	7.0
181.08623	5.6
183.06467	1.1
191.03427	18.4
192.04199	27.9
193.01338	32.7
193.04991	23.5
194.01961	1.8
195.06505	2.3
203.07062	1.5
205.05037	7.7
206.05452	2.0
207.03047	1.6
207.06549	30.2
208.03705	34.9
209.04430	3.7
221.08124	4.6
223.06075	53.5
224.06444	3.0
253.07140	3.2
254.43098	1.2
295.08139	2.2
325.12891	3.6
343.13922	4.6
361.18317	1.7
361.22278	3.6
361.29404	1.5
365.12427	3.6
375.20224	2.6
383.13403	4.1
403.19800	1.7
425.14606	1.8
461.27313	2.3
505.33716	13.9
519.18964	6.0
523.34857	4.4
531.19055	2.4
537.19672	8.4
549.19769	4.7
564.18695	2.2
565.28430	2.5
579.20795	100.0
580.21167	10.8
591.20789	24.4
592.21228	3.2
609.21759	85.0
610.22003	13.3
630.58057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.3
57.49405	1.6
58.00462	2.0
59.01241	11.7
69.03318	1.3
71.01250	19.3
71.07147	2.6
71.07487	1.6
72.99197	1.8
73.02798	2.6
76.42789	1.1
79.95586	1.7
83.01259	2.4
85.02818	14.8
87.00724	3.6
89.02303	3.4
93.03311	6.2
95.01267	2.6
96.95880	24.2
97.02824	2.6
99.00743	4.7
101.02292	6.2
106.04102	6.7
106.07374	1.1
107.04901	19.7
108.02029	3.6
113.02319	28.6
119.03363	1.6
119.04915	8.6
121.02821	3.7
123.04386	5.5
125.02303	3.6
131.04924	2.3
133.02838	26.6
135.04370	2.3
138.03064	2.2
143.03392	4.4
143.04951	1.9
147.04401	8.5
151.00391	2.0
151.03902	58.2
152.04214	3.2
159.04465	1.9
161.04529	1.4
161.05927	3.9
163.03923	1.9
164.04767	1.2
165.05469	28.1
175.03912	100.0
176.04250	4.5
177.05365	1.2
185.05937	3.8
187.03912	2.8
189.12814	1.2
190.02551	4.3
191.05515	2.7
193.01288	1.9
193.04979	24.8
203.07066	4.0
205.04993	25.1
206.05354	1.6
208.03648	3.5
223.06053	46.3
224.06416	1.5
233.11716	1.2
235.05957	2.5
247.06030	4.1
253.07144	10.5
261.11255	1.5
271.02295	1.5
277.07153	2.0
279.12350	9.1
285.03970	6.9
292.06287	1.3
295.08197	7.5
300.02756	2.9
301.03421	3.8
447.12888	3.5
609.13959	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	50.4
60.01594	1.2
69.68932	7.0
71.01250	35.1
72.99178	2.1
73.02799	1.5
78.44123	1.1
81.03316	1.8
81.60176	1.2
83.01270	1.3
85.02825	7.6
86.46455	1.1
87.00751	2.6
89.02312	53.1
91.01768	1.3
93.03323	3.8
95.01263	2.9
97.02802	1.4
101.02313	19.6
104.32496	1.3
106.04105	7.8
107.04903	37.1
108.02043	2.9
113.02328	22.0
119.03381	21.6
119.04858	1.9
121.02815	5.5
123.04372	1.8
124.90950	1.0
125.02323	4.8
131.03412	2.4
131.04968	2.5
133.02809	4.9
143.03391	6.1
143.04932	2.2
145.06512	10.7
147.04337	1.3
149.04410	3.0
151.03911	100.0
152.04224	2.3
161.04446	7.8
161.05830	2.2
165.05461	2.7
173.05971	13.7
175.03934	8.9
179.05527	37.2
185.06024	1.7
187.03992	2.2
189.05409	2.5
193.05011	2.8
197.06030	1.1
200.22046	1.3
203.07056	1.7
205.04982	5.0
217.04988	34.0
218.05341	1.6
223.06039	3.8
225.91310	1.1
241.08755	1.5
259.06189	1.6
277.07159	1.3
295.08191	4.3
361.22400	1.2
373.71829	1.2
411.10928	1.8
411.16306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30177	0.7
57.03321	1.1
58.00458	1.9
59.01247	10.6
68.99676	1.0
69.03311	3.1
71.00886	1.6
71.01250	20.0
71.58239	1.1
72.01604	0.9
72.99178	0.9
73.02814	3.4
75.00776	1.0
79.95631	0.8
81.03327	0.9
83.01253	2.0
85.02817	15.1
87.00750	2.0
89.02299	3.5
93.03328	7.1
95.01272	2.0
96.95886	29.8
97.02824	3.5
98.95436	1.5
99.00760	5.5
101.02331	7.3
106.04112	8.3
107.04903	20.0
108.02046	3.6
109.02802	2.2
113.02328	26.5
113.83374	0.8
119.03458	0.9
119.04930	7.3
120.78729	0.9
121.02838	3.1
123.00754	2.7
123.04386	5.5
125.02309	4.0
130.04115	0.8
131.04932	3.1
133.01826	1.4
133.02846	28.3
133.06468	0.8
135.04419	2.3
138.03104	2.9
143.03384	3.6
143.04903	2.5
145.02858	1.2
147.04428	6.9
149.05956	0.9
151.00285	1.7
151.03912	55.2
152.04253	1.9
153.05495	1.7
159.04390	1.5
161.04601	1.2
161.05992	4.4
165.05498	24.0
166.05835	0.8
166.84825	0.9
168.04198	1.4
173.05991	1.3
175.03920	100.0
176.01041	1.3
176.04277	5.0
177.01851	1.2
178.02522	1.1
179.03445	2.2
185.06009	2.6
187.03954	3.2
191.03595	0.9
191.05479	2.1
192.04234	1.2
193.01361	1.6
193.04985	26.1
194.05344	1.1
203.07072	3.0
205.05008	21.0
206.05399	1.2
207.06642	1.1
208.03740	1.5
217.04936	1.2
223.06059	38.9
224.06493	2.0
233.08237	1.3
235.06131	1.2
247.06062	4.9
250.61351	0.8
253.07158	7.8
255.02835	0.8
259.89862	1.1
277.07196	2.9
284.03201	2.3
285.03986	18.1
286.04199	2.6
295.08240	6.1
299.05557	2.4
300.06094	2.3
301.06247	2.4
313.09433	1.0
315.04944	1.0
335.21548	0.9
337.03922	2.4
347.32358	0.9
355.04831	1.7
361.22223	1.5
403.19751	1.9
565.28699	1.1
579.20911	5.3
591.20715	1.1
609.13403	1.3
609.21771	3.7
609.31201	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	609.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27197	1.6
59.01250	30.0
63.92783	1.5
69.49426	7.8
69.49855	6.4
71.01248	25.9
81.03295	1.7
83.01249	2.1
85.02849	3.8
87.00743	2.2
89.02310	47.3
91.01772	1.6
93.03343	3.4
96.95908	2.4
97.02834	1.9
98.19727	2.8
99.00771	2.2
101.02327	13.2
106.04119	5.8
107.04893	26.4
108.02049	5.3
113.02319	15.2
119.03371	20.6
121.02826	4.0
125.02318	3.8
131.03406	3.6
132.01965	2.1
133.02849	7.7
143.03427	9.9
143.04950	2.5
145.06479	8.2
151.03905	100.0
152.04237	3.1
161.04463	7.6
161.05920	3.2
165.05444	10.5
173.06009	12.2
175.02486	3.2
175.03915	41.6
176.04308	3.0
179.05524	32.8
187.03987	2.6
193.04970	17.3
194.05261	1.8
203.07043	1.8
205.05008	11.0
217.04979	36.5
218.05324	2.4
220.67824	1.7
223.06046	14.7
243.02951	7.0
247.06070	3.1
253.07138	13.7
271.02426	10.6
277.07089	2.5
285.04062	5.9
294.81485	1.7
295.08182	5.8
299.01965	15.2
300.02640	4.7
314.04285	24.8
315.05008	9.9
321.29825	2.1
345.12076	1.8
411.10809	2.3
609.14539	34.8
610.14764	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	609.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.9
58.00463	2.9
59.01247	58.9
61.98718	1.5
69.03308	3.7
70.84124	1.5
71.01249	38.3
71.35765	3.1
72.99191	3.8
73.02826	6.5
74.69014	1.5
81.03294	1.8
83.01265	4.9
85.02817	22.9
87.00745	5.6
89.02309	24.7
93.03331	7.1
95.01262	4.9
96.95907	12.3
97.02823	4.3
98.95477	5.4
99.00755	5.3
101.02316	18.6
106.04087	9.9
107.04903	26.3
108.02071	8.1
109.14763	1.7
109.37188	1.5
112.98698	1.9
113.02328	39.8
115.91967	3.6
116.92727	7.1
119.03420	8.7
119.04898	7.6
120.99519	4.4
121.02840	6.3
123.04387	11.0
125.02352	7.6
131.04918	2.5
132.02109	2.5
133.02855	28.0
134.03639	1.5
135.04361	2.8
138.03165	2.6
143.03392	8.1
143.04918	2.2
145.06506	5.6
147.04362	8.1
149.05945	2.3
151.03908	92.3
152.04182	3.6
154.81119	1.4
161.04456	7.4
161.05968	5.0
163.03949	2.2
165.05469	28.2
173.06033	8.6
175.03911	100.0
176.04260	4.5
177.01851	3.6
177.05281	1.6
179.05534	15.9
185.05959	2.7
187.03941	4.4
193.04970	30.8
203.07076	4.4
205.04994	21.4
211.13333	4.3
217.04991	16.0
223.06049	36.0
224.06427	2.6
234.98837	1.9
247.06081	4.9
253.07088	10.7
277.07227	2.2
295.08218	7.3
361.29599	5.6
415.14642	2.0
504.32513	3.2
505.33777	34.2
522.33148	2.2
523.34668	11.5
565.35803	2.9
609.24854	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68025	1.8
59.01246	7.0
69.39041	9.6
69.39458	4.1
71.01241	4.4
73.02817	2.9
79.95611	1.7
81.25339	1.5
82.39085	1.6
83.01246	2.0
89.02325	1.8
96.95872	8.6
98.19710	3.5
101.02316	3.6
107.01279	3.6
113.02328	2.0
128.03499	1.8
133.02847	1.6
135.00813	1.6
135.04445	2.4
151.00285	5.1
155.10706	2.8
175.03925	2.5
178.99901	1.8
179.03462	2.8
196.21837	1.7
199.09651	2.3
225.11354	1.7
227.03439	22.6
243.02951	5.0
255.02988	51.0
256.03442	5.7
271.02487	28.7
272.02863	3.3
283.02438	1.7
284.03268	64.0
285.04019	61.7
286.04407	4.5
300.02765	55.2
301.03250	5.7
321.13403	7.3
411.16431	10.1
429.08020	2.6
447.09412	7.0
609.14618	100.0
610.15192	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99599	0.3
54.75057	0.3
54.93577	0.3
58.02826	0.3
59.01250	1.0
61.27665	0.3
63.02275	0.8
65.00195	0.6
69.54179	0.8
69.54590	1.3
71.01257	0.6
74.02339	0.7
75.06248	0.3
83.01250	0.5
86.02305	0.3
96.95904	1.3
99.05472	0.5
101.02341	0.5
105.03311	0.3
107.01281	1.5
109.02825	0.5
113.02322	0.6
119.69164	0.3
121.02842	0.4
128.03430	1.5
133.02859	4.2
143.04466	1.9
149.02386	1.6
151.00261	2.6
160.00653	0.5
174.03128	0.5
175.03926	2.6
185.05968	0.4
197.05988	0.4
199.03831	1.5
210.08757	0.6
213.05370	0.5
215.03290	0.5
217.04985	1.0
227.03456	0.3
229.05034	0.3
241.05023	0.6
243.02907	0.6
254.07600	0.4
255.03059	1.0
256.03809	0.8
257.04370	0.5
272.08939	1.0
284.03247	9.8
285.04028	100.0
286.01218	0.4
286.04382	6.7
301.03778	0.5
306.07700	3.5
307.07941	1.7
308.62729	0.4
321.13327	0.5
327.05026	0.6
411.16449	0.9
447.09235	0.4
609.14581	41.3
610.14850	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
63.02267	0.4
63.35251	0.2
65.00191	0.4
69.96234	0.6
69.96648	0.6
72.47231	0.2
83.01262	0.4
90.59467	0.2
93.30338	0.3
96.95869	0.6
98.19838	0.2
107.01247	0.7
108.03994	0.2
109.02824	0.3
118.97394	0.2
121.02824	0.5
133.02838	2.9
134.03606	0.3
147.04373	0.2
149.02341	0.9
151.00256	2.0
161.95065	0.2
169.01199	0.3
171.04402	0.2
172.73502	0.2
175.03941	1.2
178.99701	0.2
183.04477	0.3
191.05595	0.2
193.04991	0.2
199.03873	1.1
200.04553	0.4
201.01781	0.7
211.03931	0.3
212.04625	0.3
213.05379	0.3
215.03487	0.5
217.04973	0.8
227.03448	0.8
228.04140	0.2
239.03384	0.3
241.04990	0.6
243.02786	1.1
255.02998	1.4
256.03699	2.0
257.04379	0.4
267.02850	0.3
269.04471	0.4
271.02621	1.2
281.04572	0.3
283.02402	0.6
284.03250	40.0
285.04007	100.0
286.04361	7.4
297.03839	0.4
299.02045	1.9
300.02670	0.7
314.04401	1.9
315.04974	0.5
327.05087	1.4
447.09290	73.8
448.09628	7.6
609.14618	4.8
610.14569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49593	0.3
52.46905	0.4
56.08926	0.4
59.01254	2.0
60.02291	0.3
65.00186	1.4
67.01741	0.5
69.74733	0.7
69.75140	1.7
71.01252	4.3
72.99180	0.7
73.02813	1.3
75.00793	0.6
83.01246	0.8
85.02834	1.5
87.00747	0.4
89.02292	0.4
95.01246	0.9
96.95876	1.3
101.02312	0.8
106.04145	0.5
107.04900	1.1
108.02036	0.9
109.02841	1.1
111.00786	0.8
113.02316	1.5
115.00207	0.5
117.03343	1.0
118.97851	0.4
121.02852	0.5
123.04395	0.8
128.03421	0.8
131.04959	0.4
133.01317	0.7
133.02843	5.1
135.04411	4.2
136.98714	1.1
137.02324	1.5
139.00276	1.9
143.04526	1.1
147.04465	0.5
151.03925	2.1
161.04491	0.4
164.98206	1.3
165.01839	1.4
166.02547	0.5
166.99763	1.0
173.06029	1.0
174.03125	1.8
175.03941	2.5
183.04465	0.9
185.06117	0.4
187.03958	1.1
189.05455	0.4
191.58342	0.4
192.00604	0.7
193.05014	1.6
199.03983	1.0
201.01910	0.4
201.05496	2.1
205.05052	0.6
211.03998	0.8
213.05376	0.4
215.03496	0.4
217.04994	0.8
223.05963	0.5
224.41510	0.4
227.03490	2.2
228.04056	0.4
229.04927	1.0
237.01984	0.8
243.02794	0.4
245.04581	0.4
254.02158	0.5
255.02985	3.0
256.03738	0.5
257.04453	0.4
273.03415	0.4
283.02475	1.4
284.03146	0.7
285.04135	0.6
300.02747	2.2
301.03522	100.0
302.03854	9.0
306.07672	1.3
307.07040	1.2
313.03357	0.6
314.04266	0.6
321.13507	0.9
325.03513	0.5
337.09225	1.3
343.04510	8.4
344.04633	0.7
355.10242	0.5
369.09879	0.8
404.23798	0.4
411.16595	1.1
415.07196	0.6
447.09647	0.5
475.08905	3.2
476.09653	0.5
571.64264	0.5
609.10931	7.8
610.11243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	26.1
60.99142	5.6
69.63221	11.5
69.63618	33.5
71.01244	10.6
78.95777	16.5
88.98685	30.9
89.02327	8.5
93.03316	4.4
96.34736	4.6
96.95879	5.6
96.96863	5.8
165.12694	7.0
166.91057	5.4
183.13800	13.3
195.13834	16.6
213.14902	100.0
214.15117	7.3
217.00208	20.2
273.55786	5.3
274.50330	4.7
291.19586	14.3
292.19949	14.2
409.29712	66.1
410.29764	13.0
449.18506	17.2
460.22202	4.7
500.53967	5.4
523.15601	6.0
547.15076	11.1
608.18231	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	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29330	2.0
57.03317	3.3
58.66450	2.1
59.00945	4.8
59.01248	100.0
61.98692	2.4
67.01756	2.1
69.03328	3.1
71.01255	39.6
71.58755	1.9
71.59211	2.8
73.02807	12.3
78.95783	3.6
78.98479	2.1
79.95612	2.3
80.96401	11.0
81.03324	4.1
83.01277	7.0
85.02824	16.6
87.00751	10.1
87.04363	2.5
89.02315	24.0
95.01261	4.3
96.95885	14.4
97.02844	5.0
98.79328	2.7
98.95480	2.4
99.00740	4.3
101.02321	26.1
112.98754	2.1
113.02313	18.8
116.97114	6.1
119.03427	7.7
125.02357	9.6
134.03535	2.6
139.03937	3.0
143.03378	3.2
161.04494	9.4
173.22931	2.2
179.05489	3.5
181.77530	2.4
209.11751	57.2
210.12196	3.9
210.28398	2.2
225.00757	3.6
227.33450	2.4
233.11382	2.2
235.08203	7.1
341.26859	2.7
359.27948	13.5
397.13434	33.6
415.14447	13.8
487.32697	10.2
503.32251	21.5
504.33191	4.0
521.33337	17.2
522.33521	2.6
563.34271	55.8
564.34546	6.4
565.31476	3.9
607.23688	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	605.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.4
64.17584	0.3
69.29026	3.1
71.01247	0.5
76.35428	0.3
78.95780	0.4
80.02532	0.3
88.98678	0.7
93.03322	4.7
95.04889	0.4
96.95876	0.3
97.06498	0.3
105.30503	0.3
119.04903	0.4
121.06509	0.3
125.05955	0.3
127.17446	0.3
138.05826	0.3
148.08807	1.2
149.09615	0.5
150.10385	1.3
151.11192	0.8
163.11153	1.6
165.12753	28.3
166.13054	1.2
175.11148	0.6
176.11954	0.8
177.12787	0.6
179.14249	0.4
191.14311	0.8
217.15948	0.5
229.19478	0.3
244.10773	7.8
245.11116	0.7
245.19025	0.7
247.20634	14.4
248.20964	1.3
273.18622	7.5
274.18848	0.8
291.19644	100.0
292.19992	7.8
313.17831	24.3
314.18277	1.9
341.23917	0.3
605.38196	30.9
606.38550	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	607.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13848	0.1
59.01244	0.3
66.86162	0.1
67.50842	0.1
69.19189	0.1
71.01244	0.2
71.58746	0.2
71.59130	0.1
73.02832	0.2
78.95770	0.4
79.95609	2.5
95.95207	0.1
96.95890	100.0
97.95832	0.3
101.02348	0.2
111.04411	0.2
114.93276	0.1
119.04032	0.1
123.04417	0.1
136.55765	0.1
171.11876	0.1
217.12308	0.5
255.03156	0.1
261.11316	0.9
275.12894	0.3
303.12375	0.7
369.33701	0.1
521.58533	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.88831	0.2
60.01593	0.9
60.99178	0.4
68.85947	0.2
69.84365	1.0
71.01256	2.4
72.99190	0.3
78.26418	0.2
78.95773	0.4
85.33869	0.2
87.00769	0.5
88.00298	0.8
88.98677	3.0
88.99160	0.2
89.02316	3.8
89.02824	0.3
98.19875	0.3
101.02354	1.0
113.02351	1.1
119.03381	1.1
146.11102	0.2
161.04443	0.3
175.62466	0.2
179.05582	0.4
192.71947	0.2
269.21292	0.4
313.24158	0.3
339.45786	0.2
395.62219	0.2
551.90509	0.2
625.39368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92472	0.5
59.01250	100.0
60.01592	0.9
61.98719	0.7
66.90887	0.6
71.01246	2.4
71.58189	0.8
75.00748	4.4
78.95795	2.4
80.96416	2.0
81.70797	0.5
82.19243	0.7
85.02835	1.1
86.84378	0.6
87.00764	0.9
101.02348	1.5
103.91911	0.5
104.63517	0.5
113.02395	0.8
134.98346	0.6
135.69376	0.6
146.66606	0.6
161.04523	0.6
217.00392	1.2
447.13354	4.6
462.45917	0.6
485.31436	1.3
503.32632	2.3
544.72546	0.7
545.33557	1.3
605.23053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
57.98567	0.4
59.01234	1.8
62.79744	0.6
63.96096	1.7
69.03344	0.7
70.16082	1.5
71.01249	8.9
71.77306	0.5
73.02805	1.5
76.23138	0.5
78.81934	0.4
78.95776	1.2
78.98460	5.7
79.95605	12.8
80.96387	80.2
81.03323	1.0
85.02808	2.9
87.00753	3.5
94.97956	16.8
96.95879	1.9
97.02806	1.4
101.02315	2.0
101.32056	0.5
106.97959	3.9
122.97475	3.5
125.02339	4.1
127.03911	1.2
134.97456	4.8
135.37114	0.5
136.99013	1.7
148.99052	6.9
149.88460	0.5
152.98520	6.2
152.99619	0.7
164.98529	12.8
196.14157	0.5
206.99600	2.6
225.00682	14.3
226.00978	0.6
263.31625	0.6
299.04364	3.3
305.24887	2.3
314.77841	0.5
327.08890	0.7
528.02087	0.5
541.51160	0.5
605.30005	100.0
606.30341	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.9
57.71193	2.5
59.01249	100.0
61.98692	8.7
62.65061	2.8
71.01249	17.2
71.57752	5.6
73.02832	7.4
78.95762	7.1
80.96406	3.8
83.04902	3.1
85.02846	6.1
89.02311	6.9
91.08903	2.9
96.95904	16.8
98.95468	6.6
101.02335	9.4
112.98674	3.4
113.02313	6.4
116.97122	7.9
123.59126	3.4
143.03430	2.7
171.10150	3.4
213.86305	2.8
237.37709	3.2
251.16568	3.4
252.56676	2.6
253.09232	10.8
291.19800	5.7
307.46326	3.0
309.20676	17.5
376.27374	2.8
385.22177	8.2
403.23288	3.4
561.32703	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.10717	0.9
69.29092	5.6
69.29512	3.5
81.23116	0.8
81.96780	0.8
116.92681	1.1
145.26007	0.8
171.10138	2.1
196.70357	0.9
209.11783	0.9
291.19678	1.1
295.22769	2.5
309.20612	1.3
429.17389	1.8
430.17868	1.2
457.20401	1.7
458.17892	1.0
459.18198	2.8
471.18420	1.6
473.19699	4.8
474.19958	1.5
485.19302	2.2
486.20569	3.4
487.21295	2.0
499.17737	2.1
501.23566	1.9
511.21545	2.0
513.19214	2.3
514.19714	8.9
517.18268	1.5
518.19482	1.5
529.22455	100.0
530.22839	15.5
532.20996	1.5
533.21930	2.0
561.25092	1.2
605.43805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1507
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
59.01241	0.4
59.05845	0.3
63.02269	0.4
65.00189	0.5
69.57231	1.8
83.01212	0.4
96.95888	2.0
99.29894	0.3
101.67565	0.3
107.01255	1.0
117.03344	1.0
135.00842	0.3
136.10678	0.3
151.00226	1.9
155.04921	0.5
159.04379	0.5
162.55006	0.3
169.01430	0.4
171.04407	0.4
183.04419	3.3
185.02327	0.5
187.03876	0.3
189.05606	0.5
199.03828	0.5
211.03961	2.2
213.05435	0.6
215.03487	0.5
220.67076	0.3
227.03407	2.8
239.03326	0.5
241.04916	0.4
243.03050	0.4
255.02957	40.2
256.03305	2.8
257.04373	0.6
282.01688	0.3
283.02451	100.0
284.02881	9.2
285.04016	14.9
286.04333	0.9
299.05667	0.6
430.08997	40.2
431.03705	0.7
431.09656	13.2
432.09711	0.8
459.09274	4.4
460.09436	0.7
521.02386	0.4
605.15082	43.5
606.15497	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	605.1512
Annotation	CHEBI:68877
Peak:m/z	Relative Intensity
53.51187	0.3
58.69641	0.3
59.01256	0.4
59.60168	0.3
63.02283	0.4
65.00213	0.3
67.21664	0.3
69.79272	1.3
79.95582	0.4
83.01266	0.8
93.03346	1.3
96.95892	3.1
107.01263	1.1
109.02851	0.4
117.03354	0.9
135.00841	0.4
136.98755	0.3
143.04929	0.6
145.02966	0.4
151.00294	1.6
151.96114	0.3
154.04123	1.7
155.04941	0.9
157.06433	0.4
159.04427	1.0
163.00270	0.5
165.01888	0.8
167.04884	0.5
168.05672	0.4
169.06526	2.7
171.04437	1.0
173.02330	0.9
182.03633	0.6
183.04453	3.8
184.05168	0.3
185.02376	0.5
185.06017	2.2
187.03946	1.8
189.05460	1.8
196.40419	0.3
198.03110	0.6
199.03943	0.6
211.03989	2.9
212.04619	0.3
213.05528	3.6
214.02649	1.0
214.05840	0.4
215.03409	1.3
225.05365	0.3
227.03444	5.3
228.03973	0.5
229.05052	2.0
239.03488	1.2
241.05005	0.8
243.02908	1.7
255.02974	36.2
256.03430	3.3
257.04535	2.9
267.02991	0.4
283.02475	58.8
284.03043	7.3
285.04031	100.0
286.04370	7.2
299.05545	1.0
430.03094	0.4
430.09027	10.9
431.09793	80.8
432.10132	9.8
446.68991	0.3
459.09427	1.7
605.15076	14.6
606.15491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31202	0.8
55.01756	1.3
55.33220	0.8
57.03319	2.3
58.00464	2.0
59.01250	100.0
69.03331	2.5
69.31250	9.7
70.33614	0.8
71.01250	43.8
72.99171	4.3
73.02822	32.8
81.03317	1.3
83.01257	9.1
85.02820	8.8
85.06483	1.4
87.00754	4.1
89.02316	16.9
95.01279	2.8
96.95889	7.9
97.02817	1.7
98.19785	1.6
99.00732	1.2
101.02322	28.6
109.02853	0.9
112.98736	2.3
113.02327	15.8
119.03391	7.3
124.01556	1.0
125.02402	1.6
131.03346	1.4
132.59875	0.9
143.03410	2.7
151.88319	0.9
155.03445	0.9
161.04468	3.6
179.03452	1.0
179.05513	3.0
179.19986	0.9
182.83427	1.1
209.11781	1.7
211.16974	4.1
219.49773	0.9
227.12881	1.0
267.06506	1.2
268.07385	2.6
305.22925	0.9
339.25336	2.6
355.24973	1.1
421.03082	0.9
441.28568	2.2
452.06021	1.0
499.29065	2.2
517.30072	3.1
541.30347	1.5
543.27966	6.7
559.31207	96.3
560.31616	13.5
561.29034	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	604.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42910	1.2
57.03325	3.0
59.01249	3.9
69.03329	3.4
69.27558	3.4
69.27979	9.0
70.02850	3.8
71.01244	4.2
72.00803	1.3
72.68874	1.1
75.00753	1.5
78.95782	10.7
79.95604	1.2
80.97194	1.0
85.02827	43.4
86.02342	1.4
87.04380	5.5
89.02346	1.3
94.02879	1.7
96.04431	100.0
96.95902	12.3
96.96838	15.6
97.02843	6.9
97.04762	1.7
98.02352	2.4
98.95483	8.5
98.96329	2.2
98.97254	3.4
99.00752	4.5
111.00814	1.4
111.04433	2.5
112.03948	2.8
113.02350	1.3
114.05482	2.8
115.03892	3.7
126.05528	2.1
128.03427	8.3
129.01840	12.7
139.03949	1.4
140.03453	3.3
141.01839	3.8
142.01353	17.2
143.46545	1.2
158.03215	2.1
158.04501	41.3
159.02908	3.1
172.02426	2.5
191.05565	2.7
191.23462	1.2
200.05594	3.9
202.03516	19.1
218.06607	4.3
219.05061	4.9
241.52866	1.3
262.05698	48.6
263.05978	2.3
266.46527	1.1
292.31403	1.3
296.27029	1.2
425.11151	2.1
493.21478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88326	1.0
54.14703	1.0
57.03322	18.2
59.01247	30.3
69.03329	1.2
71.01261	4.1
71.04889	10.5
71.08396	2.1
73.02802	2.0
83.01239	1.1
83.04897	1.4
87.00749	1.9
87.08018	3.3
95.04926	1.1
96.95879	30.3
97.05865	2.1
97.06464	29.6
98.51830	1.0
98.95467	8.8
98.96071	1.1
98.96275	0.9
101.02329	2.8
108.56331	1.1
111.04435	3.1
112.98647	1.2
115.07525	17.6
119.19758	1.1
137.02425	0.9
149.00711	1.4
169.81866	1.1
173.13271	1.8
175.07506	1.2
188.25964	1.0
195.17447	9.7
217.12277	9.8
227.12904	1.3
239.16469	3.0
261.11276	12.1
262.11707	1.4
280.11761	1.0
285.69464	1.0
319.07111	3.4
355.24850	100.0
356.25262	9.4
379.24796	4.3
441.28458	2.6
483.29495	1.3
494.68570	1.2
559.30975	2.4
603.33868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	2.5
57.06086	2.2
57.57255	2.3
59.01250	52.7
67.74181	1.9
70.75194	2.1
71.01262	11.9
71.32771	2.0
71.56839	3.2
72.99187	2.0
73.02814	2.4
78.95729	2.9
81.03342	3.2
83.01257	3.1
85.02859	3.8
87.00767	3.9
89.02299	10.4
89.27753	2.2
95.04897	3.1
96.95892	9.4
97.02846	5.1
97.06467	4.7
101.02322	10.4
107.83775	2.1
112.98676	3.1
113.02328	4.8
121.06443	2.1
122.03652	2.1
123.04379	3.5
125.09621	5.1
126.47670	2.2
135.08107	2.2
137.09608	3.5
137.78796	1.9
141.12741	2.3
143.77061	2.0
161.04431	2.7
163.11212	10.0
165.12944	2.7
171.10150	4.0
185.11726	6.8
191.14377	7.8
200.08224	2.2
207.10240	4.5
209.11786	29.4
211.13293	2.8
225.11224	4.8
237.11269	5.2
245.19101	18.9
253.09256	41.2
263.20053	3.2
278.94128	2.5
289.14832	4.8
289.18088	100.0
290.18491	9.2
307.19165	91.9
308.19580	8.0
356.68338	2.4
543.27374	3.5
555.16376	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27822	1.8
51.92230	1.6
57.03326	2.2
59.01245	48.8
66.34264	1.7
71.01253	11.6
71.58434	2.4
83.01270	2.2
85.02802	2.7
87.00770	3.4
89.01808	1.8
89.02311	8.3
95.04918	2.6
96.95872	13.9
97.02825	2.3
97.06453	2.8
101.02310	9.2
109.06438	4.6
111.04425	2.5
112.98705	3.1
113.02303	4.9
113.05933	4.4
119.03442	2.1
119.11555	1.8
125.09603	3.7
137.09615	2.1
141.01624	2.9
149.62929	1.9
157.62128	2.0
158.68892	1.8
161.02315	2.0
161.04425	5.5
163.11179	4.6
171.10147	2.2
191.14378	3.4
196.66158	1.8
207.10223	3.0
209.11731	8.5
211.13405	3.1
241.52737	2.2
245.19084	11.6
253.09280	34.3
271.17303	2.1
289.18085	100.0
290.18521	9.5
307.19138	60.6
308.19461	4.6
408.87442	2.2
551.42572	2.5
603.12494	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.0
57.03321	3.3
58.00463	1.7
59.01247	100.0
60.01579	1.2
67.01774	0.3
68.99677	0.4
69.03323	1.0
69.27083	0.2
69.70065	1.4
71.01249	53.8
72.01592	0.7
72.99171	2.7
73.02816	13.6
75.00747	0.7
78.95782	0.4
81.03331	0.5
83.01256	7.6
84.02052	0.7
85.02819	24.2
85.99975	0.8
86.03165	0.6
87.00751	4.4
87.01266	0.4
87.04424	0.3
89.02312	17.0
90.02673	0.3
95.01257	5.0
96.95885	5.5
97.02820	2.2
98.95462	1.9
99.00750	6.1
99.92441	0.3
101.02316	30.8
102.02633	0.5
111.00761	2.5
112.01534	1.0
113.02324	28.9
114.02665	0.5
115.03903	0.7
115.91966	0.5
116.92757	1.7
119.03379	7.2
124.01563	2.1
125.02331	3.5
129.01831	2.0
131.03387	0.7
134.28963	0.2
136.74759	0.2
137.02350	0.3
139.00247	0.4
141.01851	0.6
142.02542	0.2
143.03397	6.1
149.04475	0.5
159.02898	2.6
161.04459	9.6
161.05827	0.5
162.04860	0.3
177.03978	0.2
179.05536	2.4
191.05399	0.2
211.92741	0.2
381.22751	3.9
399.23819	11.0
400.24225	1.1
423.23914	0.5
441.25143	0.5
465.24988	0.3
469.24460	1.0
479.26541	0.7
495.25623	0.3
507.26025	1.0
513.27100	0.4
543.28064	57.9
544.28387	9.0
561.29089	53.0
562.29425	8.0
603.17816	0.7
603.30115	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	601.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39574	1.3
59.01252	15.1
66.79939	1.4
68.90128	1.2
69.28872	14.8
69.95550	1.2
71.01255	4.1
78.95769	3.9
85.02833	1.3
89.02314	2.4
92.12045	1.5
98.19691	2.4
99.91081	1.3
101.02322	3.6
113.02373	2.0
161.04544	1.4
176.03917	1.3
253.09213	18.5
305.24829	100.0
306.25238	8.9
366.45831	1.6
623.00739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81534	0.4
57.03322	0.5
59.01247	11.1
68.99683	0.4
71.01248	6.1
71.57870	0.7
72.51257	0.4
72.99181	0.8
73.02813	1.3
78.49484	0.4
78.95782	0.5
79.00349	0.4
79.95604	3.5
80.96392	0.8
83.00787	0.4
83.01258	1.2
84.77732	0.4
85.02824	2.4
87.00732	1.8
87.04345	0.4
89.02324	2.5
90.97010	0.4
95.01287	0.9
95.95115	0.9
96.95884	100.0
97.02811	0.6
97.95840	0.7
98.95464	2.8
99.00768	0.9
101.02322	4.7
101.05956	12.9
113.02306	2.6
115.07526	3.6
119.03365	1.1
121.06480	2.3
135.04370	0.4
135.08037	1.9
143.03340	0.4
148.05219	0.5
152.91689	0.7
161.02354	0.5
161.04427	0.8
163.07535	1.6
171.08025	0.6
173.09619	1.0
178.84433	0.4
179.03430	0.5
191.05486	1.2
194.92760	0.9
197.09550	0.5
215.10718	1.5
230.67619	0.5
259.09827	0.6
270.46494	0.5
291.10825	0.4
295.06433	0.6
329.07147	0.9
339.05478	2.8
341.07019	1.5
347.08258	0.4
356.02399	0.4
444.53113	0.4
505.13809	2.8
543.08655	2.2
543.28290	4.3
561.29016	1.5
603.17542	47.1
604.17902	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	1.3
71.57984	1.2
78.95750	1.1
80.96401	1.7
87.00751	100.0
88.00276	16.7
88.01088	1.5
103.91918	1.3
120.89783	0.7
140.65582	0.7
146.91373	1.5
148.90887	1.7
150.89423	0.7
179.93825	0.8
221.33908	0.8
249.93344	1.0
277.21762	2.5
299.04477	0.8
322.98254	1.5
323.97403	0.9
534.70575	1.2
601.21533	1.8
602.19476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10650	0.3
59.01246	2.0
69.27975	3.1
71.01265	1.0
78.95769	0.4
80.96387	0.4
85.02812	0.5
87.00748	100.0
88.00274	12.7
88.01108	0.9
88.03906	0.7
96.95872	0.4
101.02315	0.4
113.02261	0.8
130.18948	0.3
134.96677	0.3
146.91315	0.6
157.84470	0.3
161.04413	0.5
179.05344	0.3
253.09320	0.5
277.21698	11.9
278.22079	0.9
323.09891	0.8
534.70386	0.7
535.20929	0.8
601.22559	0.8
602.19666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01406	0.1
59.01250	1.0
61.25092	0.1
69.03298	0.2
71.01247	1.0
71.57545	0.1
72.99165	0.2
73.02773	0.1
78.95774	4.2
79.95604	2.6
85.02817	0.2
87.00737	0.3
89.02328	0.5
95.07359	0.1
96.95888	100.0
96.96783	6.7
97.95798	0.4
98.02351	1.5
98.95478	0.4
99.00768	0.2
101.02319	0.4
103.00260	0.1
109.02839	0.1
112.98665	0.4
113.02323	0.2
116.32474	0.1
119.03452	0.1
123.04388	0.1
125.02301	0.1
135.04384	0.2
137.02336	0.2
149.00787	0.3
149.04471	0.2
161.04472	0.1
165.31001	0.1
179.03485	0.2
186.99023	0.1
191.05536	0.2
195.06651	0.2
199.28725	0.1
202.06354	0.2
225.83109	0.1
259.01300	0.1
261.11246	0.4
271.02707	0.1
345.32501	0.2
397.08893	0.1
469.15402	0.1
503.24945	0.4
516.45361	0.1
541.21149	0.2
570.96313	0.1
601.21661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37055	0.1
71.07418	0.1
71.07779	0.3
79.95609	4.4
82.62549	0.1
96.95892	100.0
97.95827	0.4
98.95502	0.3
128.03474	0.1
143.04659	0.2
306.07825	0.2
550.93799	0.1
601.17487	30.1
602.17841	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	601.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
73.68659	0.1
78.95750	0.2
79.95614	2.4
83.04877	0.1
83.18974	0.2
87.00756	0.4
96.95893	100.0
97.95837	0.3
98.95526	0.2
161.66861	0.1
179.74268	0.1
187.11392	0.1
215.10675	0.6
217.12273	0.2
259.09772	0.4
269.04520	0.3
339.05429	1.2
353.23587	0.2
367.01498	0.2
521.21844	0.5
601.17432	4.6
602.17560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11012	0.2
58.96133	0.2
59.01262	0.5
70.45583	0.5
76.47592	0.2
79.95608	4.2
92.92751	0.2
96.95893	100.0
98.95489	0.2
99.72820	0.2
112.84747	0.2
153.17165	0.2
161.26822	0.2
221.52527	0.2
387.14874	0.2
601.17511	25.6
602.17841	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	601.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32590	0.6
52.68480	0.6
57.03315	0.6
59.01245	18.3
68.42683	0.6
69.03297	1.0
69.38583	5.1
71.01246	12.2
72.97421	0.6
72.99172	1.5
73.02814	4.5
78.95770	1.4
79.95595	0.9
83.01258	1.8
83.04887	1.2
85.02809	2.5
87.00748	2.7
89.02306	6.1
90.98460	100.0
95.01260	1.1
95.04913	0.5
96.95883	20.5
98.95473	1.0
99.00749	1.1
100.34609	0.5
101.02310	7.1
109.57806	0.6
111.04382	3.5
112.98671	1.8
113.02311	4.8
116.03428	0.7
119.03397	3.4
121.04911	0.6
123.04385	2.4
131.03401	0.6
132.99487	0.7
135.04402	0.9
143.03381	1.0
149.04549	0.9
161.04410	1.8
173.11850	0.7
173.13258	2.6
174.07613	1.3
174.88824	0.7
179.05484	0.9
199.11360	0.7
217.12283	13.5
218.12489	1.0
261.11292	24.1
262.11755	2.1
291.10437	0.7
353.10602	33.0
354.11035	2.5
374.13852	0.6
397.09354	2.1
551.25415	0.8
557.17133	2.7
590.71313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
66.91864	0.3
71.01261	0.7
71.58205	0.4
73.02814	12.0
74.59004	0.3
82.76878	0.2
83.83664	0.2
89.02319	0.5
96.95888	4.1
101.02332	1.0
108.02071	0.3
108.35622	0.3
113.02316	0.8
115.03822	0.3
119.03335	0.8
123.04377	0.4
127.11166	4.3
135.04391	0.3
139.07539	0.3
155.10645	0.7
161.02286	0.3
161.04414	0.4
162.03064	0.3
171.10220	0.4
173.11740	100.0
174.12103	4.8
177.05521	0.6
179.03378	0.4
191.05560	0.4
193.05098	0.4
201.12851	0.3
219.13849	8.1
220.14110	0.4
233.15361	0.4
245.11790	0.5
261.15027	0.3
263.12851	54.7
264.13220	3.9
277.14429	1.3
305.13901	2.3
306.14221	0.3
335.15073	0.4
599.31635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60144	1.0
57.25695	1.1
57.85905	1.2
58.02843	12.5
59.01242	3.7
66.03358	1.6
69.36019	2.5
69.36417	10.2
71.01244	1.4
74.02340	25.7
77.52538	1.2
79.95592	1.7
81.04433	1.6
82.02873	3.8
86.02348	9.1
86.05997	2.3
86.98997	1.8
87.05527	5.3
96.04411	1.4
96.95882	82.7
97.03956	3.3
98.95502	2.3
99.05514	22.9
100.00302	2.2
101.07112	4.6
102.05476	4.1
109.03956	5.2
109.07528	1.2
111.05532	2.7
112.03919	1.7
118.54902	1.0
123.05537	1.6
124.03932	1.2
125.03462	3.7
127.05050	2.7
128.03419	73.2
135.05545	8.2
137.07088	1.9
141.06584	3.0
143.04518	82.6
144.04930	2.6
144.06021	2.9
145.06111	4.4
146.04471	10.9
149.00854	2.9
153.06595	5.3
161.02357	1.3
166.09752	4.0
167.04541	1.8
167.08191	4.8
170.03290	2.3
174.32132	1.1
174.76389	1.1
179.04558	23.5
181.06076	2.3
185.05553	2.9
191.05612	1.3
192.07620	2.8
197.05655	3.5
210.08772	19.7
211.13333	1.4
228.09895	2.3
236.06778	1.2
254.07777	51.7
255.08165	4.1
272.08865	100.0
273.09216	6.7
286.05151	1.6
293.21265	3.8
327.19980	7.9
396.86649	1.2
471.25150	5.1
582.28571	4.3
600.29547	31.6
601.29846	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
59.01247	39.1
70.76936	0.5
70.77269	1.5
71.01247	10.5
72.85730	0.6
72.99173	1.6
73.02807	1.3
78.95792	0.6
79.95596	0.8
83.01257	1.3
85.02816	2.2
87.00745	100.0
88.01070	0.9
88.83129	0.6
89.02315	9.6
96.95883	14.1
101.02306	5.6
101.05959	8.7
112.98698	1.1
113.02322	4.9
113.36634	0.5
119.03388	4.0
131.03438	0.8
135.04324	1.2
159.08061	0.6
161.04434	1.8
169.06525	2.2
171.08087	1.5
171.10123	1.2
179.05508	8.6
185.06137	0.6
187.07639	2.6
195.08067	2.0
197.09636	1.7
209.11739	0.9
211.07581	2.1
213.09151	6.4
217.00249	0.7
229.08792	0.8
231.10135	1.3
239.06987	1.3
241.08690	1.9
266.95111	0.5
349.12762	1.0
384.56839	0.6
393.15765	0.7
419.13419	1.8
437.14508	8.5
438.14642	1.0
467.20511	1.4
515.00696	0.8
519.20300	5.7
520.20380	1.5
539.28430	0.6
599.15924	2.2
599.28571	0.7
600.15924	0.8
612.84839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50588	1.7
54.90108	1.7
59.00943	3.9
59.01247	77.5
69.71040	10.0
71.01234	10.2
73.02806	2.2
85.02791	2.1
89.02315	11.0
96.93632	1.7
96.95921	8.7
101.02320	7.4
103.80136	1.7
113.02338	3.6
119.03394	3.0
121.02860	3.8
122.03592	3.5
137.02306	2.9
149.02344	41.5
149.04613	1.6
150.03128	14.4
164.04649	11.3
165.01819	11.7
165.05443	21.4
180.04192	8.7
181.04964	3.8
194.49763	2.3
195.06508	29.3
195.93900	1.6
201.11168	11.1
213.03487	1.9
225.07654	5.2
230.85571	1.8
240.39857	1.9
262.99121	1.9
263.42920	1.7
273.57993	2.1
275.11288	1.7
314.11578	20.2
329.13904	100.0
330.14279	9.2
373.14868	5.3
377.08923	2.9
377.16025	49.8
378.16232	5.4
389.15866	2.3
517.22565	2.4
534.13263	2.0
539.20190	2.6
551.21515	10.0
599.23737	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23389	1.0
55.01744	1.3
57.03313	2.1
58.00464	1.3
59.01248	51.1
69.69370	6.1
70.77466	1.1
71.01250	16.3
72.99180	1.4
73.02817	6.0
83.01247	3.7
85.02815	8.5
87.00735	2.7
89.02328	3.1
95.01213	1.4
96.95868	7.3
99.00753	1.4
101.02317	13.8
103.48752	1.1
109.02808	1.9
113.02314	4.5
119.03365	1.3
121.02810	2.9
122.03671	1.2
136.01535	1.5
137.02318	15.5
147.00784	2.2
148.01550	4.3
149.02332	11.7
150.03136	25.2
151.00221	1.3
151.03845	2.4
153.05482	1.2
162.03131	1.5
163.03889	6.0
164.01025	1.9
164.04742	6.5
165.01830	88.0
165.05467	37.7
166.02254	3.5
166.05913	1.8
177.01794	1.0
179.03406	24.1
179.06998	2.4
180.04193	53.8
181.04919	5.6
181.08621	1.2
182.05345	1.1
194.05695	5.0
195.06544	100.0
196.07182	6.8
197.07845	1.1
201.11255	9.7
209.04440	1.2
210.05292	8.7
211.09697	8.9
225.05399	2.2
225.07616	40.2
226.08043	1.5
245.08957	1.0
297.04337	1.1
314.11508	3.4
329.13892	10.3
359.11249	3.0
373.14966	31.8
374.14169	3.7
377.16006	21.5
378.16241	3.2
389.16000	8.5
412.78177	1.2
415.14346	1.7
447.91156	1.2
551.21295	86.9
552.21759	12.9
599.23590	11.7
600.23059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.4
60.14943	4.1
67.59821	4.9
71.01262	6.3
71.06968	5.4
71.07354	9.2
78.95765	6.0
82.95278	36.9
83.02405	5.4
84.00782	100.0
84.76672	3.8
84.94997	19.4
85.92030	4.5
96.90827	3.7
98.20559	3.9
103.91881	7.4
114.94760	4.1
120.21415	4.0
152.99530	12.8
201.85928	4.6
277.06097	9.2
277.21753	49.2
278.22083	8.9
394.19385	4.6
508.15289	5.1
538.27582	9.8
571.95581	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	599.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.4
57.03333	6.7
59.01253	14.8
64.10361	3.1
69.03323	3.8
69.75349	8.6
69.75741	7.1
71.01245	24.4
73.02831	6.9
78.77088	2.8
78.95778	3.8
81.03334	4.2
83.01247	10.2
85.02816	24.2
87.00745	10.5
88.72589	3.2
95.35730	3.0
96.95900	6.0
97.02853	3.9
99.00749	25.1
99.04346	3.5
101.02312	9.0
101.06657	3.3
111.00762	16.8
113.02334	6.7
115.00254	100.0
139.00250	17.1
143.49240	3.2
157.01349	21.1
175.02377	11.9
179.03096	2.8
187.14894	4.1
213.12633	4.4
231.13979	14.9
247.13315	9.7
275.12848	25.7
276.13089	3.8
291.12292	6.1
293.14142	3.8
301.10883	5.1
319.11850	70.4
320.12073	6.2
321.13382	8.9
331.15466	7.5
333.13440	5.8
337.12878	36.9
375.14630	6.3
377.12390	80.1
419.13376	25.9
437.14474	75.4
438.14737	9.8
481.16797	4.2
539.17700	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	7.3
59.01244	4.6
61.98692	2.0
62.53951	0.9
63.80555	0.9
70.02834	1.3
70.86294	1.8
70.86651	2.6
71.01250	2.3
73.23643	0.9
74.02343	16.0
78.95795	1.2
82.02837	2.1
86.02357	5.0
86.06017	1.1
86.98978	1.6
87.05510	3.2
89.02321	1.5
90.00050	1.9
96.95879	12.8
97.03932	1.5
99.05521	13.4
101.02309	1.2
101.07123	1.3
102.05467	1.1
109.03974	2.4
112.03938	2.0
112.98691	1.4
116.01588	1.2
123.05566	1.9
125.03483	1.3
127.05033	3.1
128.03432	35.7
135.04536	1.3
135.05516	4.4
136.48152	0.9
137.07106	1.2
141.06575	3.7
143.04526	50.4
144.04834	1.3
146.04482	4.4
153.06561	3.8
155.08241	1.4
160.00644	12.9
166.09790	1.7
167.04547	3.5
167.08160	1.8
171.07671	1.3
177.03334	5.5
179.04579	9.6
181.06160	1.3
185.05565	2.7
192.07675	1.6
197.05675	2.4
210.08792	10.6
225.22865	1.1
254.07813	16.5
272.08871	30.9
273.08978	1.0
288.06601	11.1
306.07654	100.0
307.08029	5.2
341.12192	1.0
565.96155	1.3
580.27319	1.1
598.27972	6.5
599.15741	1.8
599.29901	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70574	1.1
55.55455	0.9
58.02848	12.6
59.01249	3.9
66.03338	1.2
70.59736	3.3
71.01283	1.7
72.97400	2.1
74.02342	24.3
74.02735	1.7
78.95787	2.2
78.98746	1.0
79.95607	2.4
81.04448	2.3
82.02846	3.2
85.02857	1.2
85.03938	1.5
86.02351	11.3
87.05508	4.2
94.16668	0.9
95.02366	1.0
96.95887	84.5
97.03964	2.9
99.05514	21.6
100.00256	2.0
101.07095	3.7
102.05499	3.8
109.03954	4.9
111.05534	1.5
112.03921	2.0
112.98727	1.3
123.05529	1.6
124.18149	1.0
125.03471	3.1
127.05038	2.8
128.03423	63.4
129.03780	1.9
135.04506	1.7
135.05525	6.9
136.01552	4.1
141.06604	3.8
143.04521	81.4
144.04958	1.4
145.06114	2.7
146.04477	9.0
149.02385	1.3
149.07146	1.3
151.03902	3.0
153.06584	5.2
165.12790	1.3
166.02626	1.8
166.09793	3.9
167.04524	2.9
167.08167	5.0
169.06108	1.2
169.98087	1.2
170.03233	1.4
171.04092	1.6
171.10222	1.7
179.04549	19.6
181.04872	2.0
185.05696	1.9
191.05388	1.7
192.07761	2.1
197.05623	2.6
209.11633	1.1
210.08760	16.9
217.00233	2.0
239.26523	1.1
254.07802	49.6
255.08215	1.6
256.11392	2.2
272.08871	100.0
273.09164	4.3
291.19611	2.5
325.18277	3.2
329.10641	1.3
387.14413	1.9
388.14746	4.3
459.88608	1.1
469.23724	3.0
506.19174	1.4
536.20044	2.9
580.26831	3.5
598.28003	25.4
599.28174	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	597.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24208	0.2
56.46927	0.2
57.03340	0.3
58.02850	0.6
59.01251	3.5
66.46320	0.2
69.03307	0.4
71.01237	1.6
72.99152	0.4
73.02817	0.7
73.93673	0.2
75.00739	0.4
78.95767	0.3
79.95604	0.3
81.03326	17.5
82.03656	0.4
82.60293	0.2
83.04891	54.2
84.05225	1.2
85.02814	0.5
85.48969	0.2
87.00749	0.5
88.44997	0.2
89.00144	0.2
89.02309	0.5
96.95880	4.9
99.54744	0.2
100.07550	7.6
101.02289	1.1
107.04914	1.7
108.04404	0.4
113.02328	0.3
126.05483	1.0
127.03901	0.5
133.02815	0.3
133.59889	0.2
145.04945	0.7
150.92757	0.2
157.13324	0.3
182.15469	0.4
199.13283	1.0
199.16234	0.5
199.18088	10.1
200.18440	0.3
201.08878	0.3
207.14912	0.5
224.17662	1.1
225.16035	11.7
226.14429	0.5
226.16447	0.8
237.86703	0.2
239.09303	0.3
242.18701	0.3
243.17102	27.6
244.17484	1.5
269.14990	1.6
284.20654	0.3
291.20407	0.2
309.21854	1.5
335.19373	0.2
353.20795	8.7
354.21072	1.0
367.27094	0.3
382.97211	0.2
394.89957	0.2
397.13437	0.6
415.14322	0.3
421.48853	0.2
425.35052	0.4
447.24365	0.3
451.32977	2.6
452.32565	0.4
469.33896	17.6
470.34283	2.6
495.31857	0.7
535.38330	0.4
548.91223	0.3
563.00378	0.3
579.37579	3.2
580.37817	0.6
597.38647	100.0
598.38934	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	597.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77339	0.4
59.01235	0.7
61.98687	0.4
64.34388	0.3
65.00185	0.5
71.52838	0.5
78.95808	0.3
80.96380	0.4
86.24222	0.3
96.95901	0.4
107.01216	0.9
112.98748	0.4
125.02303	0.9
132.02054	0.5
133.02805	0.6
135.99120	0.3
151.00287	2.3
173.06081	0.4
224.69914	0.3
227.03499	1.3
255.02975	0.7
256.03729	25.2
257.03964	1.6
259.61475	0.4
283.02353	0.5
284.03247	100.0
285.03738	11.0
286.04126	0.5
297.24374	0.7
298.24557	0.5
393.85471	0.4
423.14551	0.4
425.16046	3.4
471.23447	0.4
479.17465	0.5
496.82376	0.4
497.18353	1.7
498.18610	0.4
515.29993	1.3
523.32428	0.5
579.25665	1.7
597.27014	9.2
598.27313	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
61.13764	0.3
61.98714	0.5
63.02271	0.7
65.00206	0.9
71.58447	0.5
78.95794	0.9
83.01254	1.0
94.54490	0.3
96.95898	0.8
103.88268	0.3
107.01267	1.6
112.98708	0.6
125.02289	0.6
132.02078	1.0
133.02843	1.4
135.04468	0.3
149.02464	0.5
151.00266	2.9
171.10103	0.4
173.06021	1.0
188.04657	0.4
199.03893	0.8
200.04630	0.7
224.06731	0.3
227.03391	1.6
255.03000	1.2
256.03751	23.5
257.04092	1.3
283.02542	0.6
284.03259	100.0
285.03845	15.2
286.04373	0.6
309.04120	0.8
309.54712	0.4
325.07153	1.1
407.14957	1.5
425.16156	5.3
426.16379	0.4
479.16791	0.5
497.18161	2.1
507.84842	0.4
543.24139	0.4
561.24835	0.6
579.25861	2.3
580.25946	0.4
597.27045	14.2
598.27271	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	597.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91890	2.0
59.01226	4.7
71.22728	2.1
71.57213	2.7
78.95809	4.8
96.95889	5.0
107.01325	2.2
119.60320	2.3
131.14377	2.0
133.02835	20.2
154.04265	2.2
161.02385	2.3
175.03932	4.7
177.01749	2.2
180.75620	2.0
199.03955	2.6
201.01799	3.3
210.60820	2.1
284.03256	28.0
285.03748	8.5
286.03763	4.1
297.04105	7.5
298.04614	3.3
309.04077	17.7
311.05743	2.6
322.05081	2.1
325.07101	24.8
335.05652	4.6
361.07312	3.3
407.14810	15.6
461.15927	6.4
471.31293	4.4
479.16983	19.2
497.17966	15.6
499.30466	2.7
507.27072	2.4
523.31989	2.3
525.28436	5.2
535.48389	2.4
543.23834	4.0
561.25000	13.2
562.25891	2.7
579.25989	39.4
580.26312	5.0
597.27026	100.0
598.27362	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	597.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20546	0.6
59.01249	1.0
60.99201	0.6
64.29981	0.5
67.01757	1.5
71.01257	1.7
72.98057	0.5
81.12976	0.5
85.02827	5.1
87.00754	2.2
93.03342	11.8
96.95901	1.1
98.70438	0.6
105.03317	1.2
107.04903	0.7
109.02838	2.5
111.04424	1.5
115.60355	0.6
120.54576	0.5
123.04431	0.8
127.03895	1.5
133.01860	0.7
133.02853	12.4
135.04440	7.9
150.03157	1.0
155.04553	1.0
160.01617	0.8
161.02341	6.0
171.02943	0.7
173.04465	6.2
177.01909	4.0
179.03464	3.5
191.05545	100.0
192.05853	3.2
215.05515	5.5
262.15662	0.5
307.08353	0.9
351.07239	18.2
352.07666	1.6
353.08795	10.0
405.09497	3.2
441.72760	0.5
505.24316	0.6
597.15887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03310	1.1
59.01251	88.9
69.03306	1.1
69.41975	8.9
71.01253	12.7
72.99164	2.5
73.02808	6.2
78.95779	2.5
83.01263	3.1
85.02827	7.2
87.00746	4.0
89.02320	3.0
95.01247	1.5
96.95892	9.5
99.00759	1.7
101.02324	10.4
109.06464	1.4
111.00747	2.4
113.02350	4.3
119.03272	0.9
123.08051	1.6
125.02360	1.8
125.09511	0.9
129.01776	1.1
135.04459	1.4
149.00787	3.6
159.02896	1.3
166.09953	1.7
171.10121	1.2
191.05466	1.5
197.11717	5.4
210.08986	1.5
267.88385	1.0
287.22354	2.6
327.16156	2.4
397.13486	2.3
401.20096	1.1
415.14511	1.5
431.26505	5.5
449.27350	3.3
463.19501	1.9
491.28342	1.9
509.29034	2.0
529.89056	1.2
533.29620	6.6
551.30707	100.0
552.31146	12.5
595.27521	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	597.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91864	0.5
59.01241	1.2
60.99176	1.4
64.71984	0.6
67.01771	1.7
69.03294	0.8
70.91389	1.3
70.91719	0.7
71.01238	1.8
83.04886	0.7
85.02813	4.4
87.00721	3.5
93.03329	12.6
96.95865	1.6
105.03347	1.7
107.04898	0.7
109.02809	3.5
111.04401	2.1
123.04393	1.2
127.03857	0.8
133.02834	13.6
134.03477	0.6
134.58673	0.6
135.04399	7.7
153.02969	0.8
155.04523	1.7
160.01468	0.7
161.02316	5.3
172.87292	0.6
173.04436	6.4
177.01839	3.5
179.03418	4.4
191.05522	100.0
192.05904	3.6
214.77599	0.6
215.05544	6.1
216.85049	0.6
273.37170	0.6
307.08212	1.1
315.06082	0.6
351.07181	20.6
352.07452	2.1
353.08765	12.2
405.09247	3.0
482.02536	0.6
497.44815	0.6
597.15875	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	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75961	0.5
59.01261	0.7
70.67377	0.8
70.67715	0.8
78.95773	67.6
88.28354	0.5
96.96835	11.9
97.95338	0.5
114.23976	0.6
116.04295	0.6
152.99487	100.0
153.99837	1.5
157.29909	0.6
171.00543	2.7
187.59850	0.6
223.00066	11.3
241.01137	25.1
259.02216	1.9
279.23279	66.2
280.23676	5.8
305.03195	0.6
315.04852	15.9
316.05005	0.7
333.05942	1.0
595.28864	80.5
596.29169	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	595.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88407	1.4
59.01248	99.2
61.98697	2.9
67.45988	1.1
69.03316	1.3
71.01253	14.8
72.99172	3.5
73.02814	5.2
78.95782	2.9
83.01251	3.4
85.02838	8.0
87.00747	5.9
89.02328	4.6
96.95891	18.0
99.00768	2.6
101.02318	11.6
111.00780	2.5
112.98711	2.9
113.02301	7.2
120.99530	36.1
124.47143	1.4
133.02812	1.9
137.62134	1.7
149.00786	4.9
153.01833	1.4
160.04332	1.8
191.05548	2.4
197.11713	1.9
213.99629	1.5
261.11194	1.8
283.13330	1.8
287.22272	2.7
333.99982	1.9
431.26395	5.4
449.27579	3.2
461.06430	1.8
463.19473	1.8
509.29733	2.5
533.29614	5.9
534.30286	1.7
551.30701	100.0
552.31024	16.3
595.29486	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03827	0.7
69.77329	0.6
70.10027	2.2
75.00750	0.8
78.95777	68.3
86.37679	0.7
96.96841	12.6
116.10638	0.6
138.62418	0.7
150.98022	0.8
152.99490	100.0
153.99850	1.7
171.00536	3.7
208.24355	0.7
212.67603	0.7
223.00079	9.8
231.33148	0.7
241.01149	25.4
259.02225	1.8
279.23282	65.4
280.23618	7.3
302.05783	0.7
315.04834	15.3
333.05908	1.0
356.51819	0.7
549.18317	0.7
595.28876	81.1
596.29279	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80230	0.5
59.01251	0.5
62.57595	0.5
62.96286	0.6
69.52934	1.6
69.53364	2.9
74.33887	0.5
75.00758	1.0
78.26497	0.5
78.95779	100.0
96.96844	20.3
98.19749	0.9
108.76690	0.5
123.11675	0.6
150.97929	2.3
152.99493	97.9
153.99808	1.6
171.00499	2.0
223.00073	2.7
241.01161	38.7
242.01552	0.8
259.02365	0.8
279.23300	72.7
280.23682	7.0
315.04895	11.4
370.47885	0.6
415.22568	6.4
416.23001	0.7
433.23648	7.0
595.28906	94.3
596.29187	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91165	0.5
70.10543	1.0
70.10916	2.7
78.95776	58.6
83.69724	0.6
96.96844	10.1
98.20455	0.5
120.58360	0.5
124.87252	0.5
131.35857	0.5
136.39198	0.5
150.97931	1.0
152.99498	100.0
153.99857	2.4
171.00572	2.5
218.99603	0.6
223.00089	9.3
241.01169	25.1
242.01431	0.9
259.02286	1.8
279.23294	59.8
280.23642	5.9
301.56720	0.6
315.04852	19.4
316.05362	1.3
333.05994	1.6
397.23813	0.6
406.36703	0.5
433.23520	0.7
460.62695	0.6
595.28882	85.7
596.29230	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	595.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94803	10.2
54.33657	11.0
59.01230	34.1
69.74722	49.2
69.75130	17.5
71.01268	15.8
79.29995	9.9
79.68842	10.1
96.95886	11.2
98.20520	18.9
109.12572	10.0
134.42400	10.9
144.66411	11.3
162.03131	20.8
162.96466	11.1
166.33878	10.9
177.05449	25.8
211.09709	29.1
271.02399	14.6
299.02127	13.0
339.18564	13.3
341.49527	11.1
373.15112	100.0
459.49136	12.4
595.13684	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	595.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24290	0.4
57.03336	0.6
59.01248	26.0
61.98698	0.9
69.03320	0.5
71.01241	3.2
72.99178	1.3
73.02811	5.1
75.00750	0.5
75.40160	0.4
78.95773	1.0
83.01255	6.1
83.40327	0.4
85.02822	1.0
87.00729	1.2
89.02296	1.0
93.03354	1.6
94.07086	0.4
96.95890	3.9
97.84837	0.4
98.85103	0.4
101.02315	4.1
107.04849	0.5
112.06491	0.4
112.98676	1.0
113.02325	0.6
119.04908	100.0
120.05237	3.8
123.04399	0.4
125.02299	0.6
133.02829	3.2
134.03596	1.3
135.04395	0.9
137.02325	0.8
161.02332	1.1
161.04555	0.5
163.03909	61.0
164.04263	2.6
165.12828	0.5
167.10687	1.5
177.01828	3.0
178.02600	3.0
179.03331	0.9
207.13855	1.4
209.11797	1.9
225.14952	2.9
227.12820	11.5
228.13335	0.5
233.11813	1.2
251.12701	1.1
259.93845	0.4
269.13815	3.4
287.14893	6.4
293.14020	0.5
299.01547	0.4
299.13184	0.4
306.10852	0.5
311.14923	0.6
325.09283	0.5
329.16132	0.8
371.16977	1.1
413.18036	0.9
431.19052	3.6
432.19431	0.6
463.19806	1.1
551.24463	1.4
577.22449	2.6
578.23151	0.5
595.23865	30.5
596.24347	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	595.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75043	1.2
59.01233	1.5
65.00187	3.1
67.50663	1.1
71.01281	1.1
71.13196	2.1
86.27837	1.1
91.37035	1.2
96.95882	4.6
107.01247	4.1
111.00770	1.4
125.02337	2.9
126.67259	1.2
149.02359	10.4
151.00282	18.0
165.01842	1.2
199.03941	2.5
215.03409	2.4
216.04100	1.4
227.03424	2.4
243.02904	2.6
257.04565	1.7
271.02460	84.7
272.02844	6.2
299.01956	100.0
300.02695	55.3
301.03491	59.4
302.03809	4.9
329.03122	1.9
433.02090	2.7
433.07712	31.9
434.08331	2.5
462.08032	77.3
463.08792	58.2
463.15582	1.8
464.09058	4.5
475.71527	1.4
595.13019	88.9
596.13239	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	595.1302
Annotation	Quercetin 3-glucosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
51.62680	1.2
59.01253	1.4
62.24956	0.9
64.44966	1.2
65.00180	2.8
69.45209	9.3
83.01255	2.1
96.95882	5.2
98.19730	2.0
107.01257	3.8
115.42741	1.2
125.02283	1.6
148.01517	1.4
149.02341	7.2
151.00282	15.9
162.63007	1.1
199.03862	3.1
200.66493	1.1
215.03387	1.9
217.87926	1.2
227.03442	2.2
243.03014	2.0
271.02463	95.8
272.02795	5.2
299.01938	95.7
300.02609	23.1
301.03506	51.9
301.06345	0.9
302.03815	3.0
329.03128	1.7
359.41254	1.4
433.07486	5.8
462.08005	66.2
463.08752	50.4
464.09094	5.3
595.12994	100.0
596.13330	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	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.81668	0.7
59.01249	15.2
61.33492	0.8
61.49504	0.9
63.14559	0.7
65.00186	2.4
65.06670	0.9
71.01251	5.7
71.58177	1.1
72.99186	0.9
83.01251	1.2
85.02826	1.5
87.00723	1.4
89.02323	4.0
94.02409	0.8
96.95878	4.8
99.83734	0.8
101.02290	3.9
107.01269	3.1
107.93616	0.8
113.02335	2.9
119.03369	1.6
125.02340	1.0
137.02307	1.3
146.57396	0.9
148.01541	1.3
149.02319	4.0
150.03111	1.8
151.00269	10.5
162.03091	2.8
165.05432	1.7
177.05482	6.0
179.05527	1.4
186.52501	1.0
195.06578	2.3
203.03261	1.1
215.67735	0.9
226.06537	0.8
231.02998	1.1
247.97005	0.9
255.02875	1.3
271.02448	7.4
272.02899	1.3
295.06024	2.1
299.01944	5.9
300.02722	100.0
301.03372	23.5
302.03729	1.1
310.08328	1.2
313.10709	1.2
325.10797	0.9
341.10831	3.2
343.11813	2.7
355.11755	4.8
373.18512	1.7
391.14087	1.0
433.07721	37.4
434.08026	4.3
463.08759	6.5
464.09518	0.9
535.24231	1.4
595.12903	27.6
595.26080	3.7
596.13055	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	594.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54823	1.0
58.02845	15.0
59.01250	11.3
61.98689	3.0
65.94570	1.0
66.64646	1.1
71.01261	6.5
71.12035	2.6
72.00776	1.6
72.99176	3.6
73.02810	2.0
74.02343	32.1
75.00759	1.2
77.72996	1.0
78.95768	2.3
79.95625	1.0
81.04441	3.2
82.02847	5.9
84.04405	3.0
85.02810	1.8
85.03931	1.5
86.02341	11.2
86.06001	2.4
87.00746	2.1
87.05499	4.8
88.03938	1.2
89.02308	3.4
96.95891	15.5
97.03937	4.0
98.95486	1.4
99.05521	27.4
99.98103	1.1
101.02320	4.6
101.07060	6.0
102.05463	4.2
107.06045	2.2
108.04407	1.6
109.03989	5.2
109.07578	1.9
111.05482	2.8
112.03924	3.6
113.02336	2.5
119.03400	1.2
123.05511	3.1
123.08070	1.8
124.03926	2.5
125.03445	5.8
127.04178	1.1
127.04994	6.0
128.03430	74.8
129.01820	1.2
129.03772	1.7
135.04518	2.0
135.05525	11.3
137.07082	2.3
141.06592	3.8
143.04520	100.0
144.04903	2.5
145.06079	3.5
146.04509	11.9
149.00864	1.1
149.07112	2.8
153.06561	7.1
166.09753	5.0
167.04495	5.0
167.08168	7.4
170.03241	3.8
171.04077	1.8
179.03178	2.0
179.04547	23.3
181.06146	2.8
185.05652	2.9
192.07719	3.5
193.91885	1.2
195.13811	1.5
197.05563	6.0
197.11516	1.3
201.11263	1.3
210.08772	24.4
213.14902	7.3
247.13686	14.6
254.07790	57.4
255.08127	2.7
272.08868	82.3
273.09122	4.0
277.05231	1.6
298.73444	1.2
321.17398	3.2
345.22882	2.7
346.23248	2.1
366.40710	1.3
385.13037	1.8
415.14676	1.5
465.22583	8.0
511.14362	1.3
550.29346	3.3
576.25897	16.2
577.26062	2.8
594.26978	92.7
595.20050	1.8
595.27582	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
59.01249	100.0
69.03328	2.2
71.01251	20.1
73.02821	4.3
75.15568	1.4
77.93944	1.5
78.98491	2.2
79.95618	4.7
80.96386	21.5
83.01292	1.9
84.75034	1.4
85.02826	10.1
89.02314	4.0
89.36555	1.5
94.97966	6.4
95.01266	2.0
96.95883	3.8
99.00800	2.9
101.02287	8.4
108.99520	1.6
113.02329	10.6
125.02309	2.7
137.17757	1.6
143.03362	2.0
147.84438	1.8
161.04446	2.5
164.98576	3.3
183.97707	1.7
221.00417	1.6
225.00624	5.5
225.42194	1.8
229.67624	1.6
245.15463	1.7
285.04111	6.5
345.30176	5.3
489.34293	49.1
490.34808	7.1
501.30289	1.8
507.35336	16.6
508.35974	2.3
549.36700	1.9
593.26324	23.3
594.26575	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	594.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	21.3
59.01248	14.7
69.81187	1.4
70.02842	1.5
71.01246	6.2
71.58131	2.8
72.00800	2.1
74.02344	29.4
78.95756	1.4
81.04456	1.9
82.02848	4.6
84.04398	2.0
86.02336	15.8
86.05967	3.6
87.05509	6.2
89.02316	3.9
96.04462	2.0
96.95875	9.3
97.03951	6.1
99.05514	32.8
101.02299	2.7
101.07079	5.5
102.05489	5.8
107.06026	3.0
109.03949	5.9
109.07603	2.4
111.05514	3.3
112.03921	4.6
115.68410	1.4
116.01602	2.1
120.32304	1.6
121.30766	1.3
123.05540	3.2
124.03970	2.0
124.07583	2.3
125.02595	1.4
125.03449	7.8
127.05023	6.6
128.03426	79.4
129.03786	2.3
135.05533	11.1
137.07097	2.0
141.06566	3.3
143.04514	100.0
144.04849	1.7
145.06084	3.5
146.04503	11.9
153.05470	1.8
153.06590	7.7
155.08145	1.5
166.09773	4.6
167.04529	6.5
167.08202	9.1
170.03230	3.1
171.03993	1.8
179.04536	25.2
181.06078	4.1
185.05537	2.8
191.03419	1.8
192.07736	4.1
195.13860	2.2
197.05566	3.1
207.06372	1.9
210.08754	22.5
213.14890	7.9
223.06013	3.1
247.13686	16.0
254.07797	56.1
255.08174	3.0
272.08878	76.9
273.09149	3.4
321.17368	2.5
346.14774	2.8
358.21460	1.6
465.22736	8.6
550.29254	2.6
558.67999	1.8
576.25861	16.9
594.27002	95.1
595.27551	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	593.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52908	1.8
59.01247	100.0
67.56948	1.7
69.66679	1.8
71.01258	9.4
71.38504	3.8
73.02836	3.3
78.95753	2.5
83.01259	2.2
84.27812	1.5
85.02823	5.9
89.02288	2.1
101.02332	6.4
110.10685	2.0
113.02351	5.2
129.90802	1.7
217.12328	3.9
238.81854	1.8
246.59192	1.7
261.11307	7.8
316.09631	1.9
345.30060	6.7
489.34286	40.4
490.34631	6.3
507.35339	10.1
508.36099	2.8
594.30389	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26556	1.7
51.57811	2.1
57.03306	1.7
59.01253	100.0
70.55700	5.8
71.01256	14.2
71.30254	1.6
73.02821	3.3
73.07396	1.8
76.73402	1.5
83.01263	4.0
85.02821	9.3
89.02320	3.2
96.95892	2.3
101.02343	8.9
113.02335	8.7
125.02266	2.0
151.87051	1.7
161.04445	2.2
177.01843	5.7
197.15337	3.3
216.32845	1.7
227.38927	1.6
237.75215	1.6
262.70401	1.7
338.90625	2.0
345.30048	12.6
386.22281	2.2
489.34409	56.3
490.34555	8.5
507.35287	19.1
508.35532	2.8
549.36993	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42737	2.2
59.01248	100.0
61.98690	5.6
69.41998	4.2
69.42396	16.3
71.01258	16.6
72.99153	3.2
73.02824	6.3
75.00749	2.6
78.95768	28.7
83.01248	5.2
85.02805	13.2
87.00809	2.8
89.02302	6.3
96.95884	22.9
96.96853	3.0
98.19790	4.9
99.00754	4.0
101.02309	8.0
112.98674	6.6
113.02321	11.0
119.03358	2.8
121.80685	2.4
133.02859	3.7
134.03625	2.5
135.04378	3.3
151.03922	3.4
161.04398	5.2
197.05927	2.4
261.11285	3.2
285.03949	5.0
345.30075	5.0
357.08456	2.5
431.14169	3.6
489.34250	32.2
490.34598	5.1
507.35315	16.4
593.22821	5.2
594.30273	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	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45329	1.0
59.01249	7.8
61.98721	1.1
63.37364	1.0
69.03335	1.3
69.67704	6.1
71.01260	5.8
73.02821	1.2
75.62888	1.0
78.95798	1.3
79.95612	3.4
83.04934	1.0
85.02824	2.0
86.51067	1.1
87.00750	2.5
89.02323	1.6
96.95893	56.6
96.96835	2.5
98.20581	2.0
98.95477	3.2
101.02315	2.1
105.00039	4.3
107.01279	2.5
111.04378	1.0
113.02325	2.7
115.07489	1.4
120.99558	4.5
121.02843	1.3
133.02841	7.4
135.04402	1.1
149.02339	2.0
151.00252	5.3
168.96278	2.3
175.03967	2.6
179.03511	1.4
179.05467	2.2
183.13872	1.4
191.05576	3.9
199.03960	1.9
211.13344	10.6
216.07805	1.1
217.05049	1.1
229.14413	11.7
241.05016	1.9
255.02968	4.4
256.03525	2.2
269.04559	7.3
284.03262	27.4
285.04056	100.0
286.04398	11.0
299.05612	52.2
300.05969	6.1
327.21805	2.4
337.03763	1.7
345.22824	49.1
346.23184	3.6
355.04874	2.2
371.11539	1.3
387.24237	1.3
549.29291	2.7
590.37177	1.2
593.14935	3.9
593.28949	1.3
594.14734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.5
59.01250	100.0
71.01252	12.3
73.02817	4.2
78.95770	2.9
83.01251	1.9
85.02806	5.9
89.02299	2.7
95.01273	2.1
96.95887	2.8
97.02829	1.5
98.30556	1.7
98.31211	1.8
101.02338	7.4
113.02308	7.1
120.99480	1.9
137.18958	1.8
161.04517	1.8
178.98825	1.5
197.15253	1.8
285.04221	1.9
345.30020	9.3
437.62137	1.8
489.27350	3.1
489.34335	50.9
490.34598	7.5
507.35269	16.8
543.37134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04479	0.2
59.01246	0.9
62.96267	0.4
70.35485	0.9
71.01249	0.3
77.44342	0.2
78.95772	100.0
96.96838	17.8
115.12070	0.2
150.97964	1.9
152.99489	63.4
153.99847	0.9
171.00581	1.6
223.00081	6.4
233.22679	0.3
241.01147	13.0
242.01404	0.3
259.02243	0.6
277.21707	20.7
278.22021	1.8
285.03937	0.3
315.04871	6.4
333.06088	0.6
593.27277	29.2
594.27551	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01248	8.2
60.81617	1.1
65.63134	1.1
69.03293	1.5
70.72468	2.5
70.72817	1.1
71.01241	4.8
73.02806	2.3
78.95761	1.4
78.98466	1.2
79.95592	4.0
85.02798	3.1
87.00748	2.1
89.02315	3.6
96.95885	65.2
96.96863	2.6
97.02812	1.3
98.95464	2.6
99.02939	1.1
101.02316	3.6
103.00859	1.3
105.00036	4.7
105.53968	1.2
107.01244	1.5
113.02332	2.0
115.07512	3.2
120.99533	4.3
125.02390	1.6
133.02841	7.0
135.04428	2.2
149.02261	1.4
151.00223	4.8
168.96194	3.2
171.10115	2.0
175.03903	1.9
183.13799	2.4
191.05484	4.9
199.03864	3.2
211.13336	9.9
217.04919	1.4
229.14378	11.3
240.75314	1.2
255.02943	4.2
256.03656	1.6
269.04462	8.0
283.02505	1.9
284.03235	26.2
285.04019	100.0
286.04446	6.7
299.05579	49.2
300.05881	5.2
345.22787	52.1
346.23044	3.8
431.08664	1.7
449.91492	1.3
549.29150	2.6
593.14526	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22413	0.4
59.01246	0.9
62.96270	0.6
71.08509	1.0
78.95769	68.6
96.96828	13.2
99.20544	0.4
150.97906	1.3
152.99480	100.0
153.99841	1.4
171.00568	2.4
181.74002	0.4
223.00070	10.8
224.00414	0.4
233.22699	0.6
241.01123	24.4
242.01489	0.7
259.02170	1.3
259.20706	0.6
277.21698	45.0
278.21960	4.7
297.21286	0.5
315.04837	16.0
316.05325	0.9
333.05841	1.5
361.20767	0.5
593.27271	79.4
594.27588	11.3
619.79919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.1
62.99971	0.5
63.84503	0.5
67.74865	0.5
69.64272	2.0
69.64688	1.6
71.01257	1.8
75.00747	3.9
78.11342	0.5
78.95776	97.5
80.91562	3.1
95.78813	0.5
96.95892	1.1
96.96842	17.0
101.02341	0.6
101.05979	0.7
125.06294	0.5
150.97939	1.1
152.73526	0.5
152.99490	82.7
153.99835	1.2
171.00491	1.2
179.05565	0.7
184.26360	0.5
209.39737	0.5
223.00015	2.1
241.01154	37.8
242.01472	1.4
253.09175	1.0
275.06277	2.3
275.20135	2.7
277.21713	59.8
278.22040	5.3
315.04840	13.3
317.07224	0.8
332.52081	0.6
357.20370	1.8
360.08038	0.6
389.17892	0.7
410.59482	0.5
413.21030	7.2
414.21338	0.6
431.21960	2.5
533.26141	1.2
593.27295	100.0
594.27655	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	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01261	5.6
63.96096	1.0
69.03327	1.1
70.79065	1.4
70.79381	0.7
71.01250	8.6
73.02821	1.7
78.95760	0.7
78.98466	4.8
79.95605	23.7
80.96390	74.5
85.02810	3.3
87.00757	3.5
90.98449	1.6
94.97961	15.6
96.95886	2.8
97.02823	1.8
101.02296	2.7
106.97953	3.2
111.11445	0.7
113.02365	0.9
122.97472	4.7
123.08241	0.8
125.02302	2.6
134.97437	4.3
136.98955	1.7
142.49333	0.7
148.99065	5.3
152.98543	6.2
156.41663	0.7
164.98543	11.5
182.99506	1.0
206.99741	3.3
225.00687	15.7
239.36969	0.8
285.03894	1.5
299.04395	2.4
371.06519	1.5
385.07898	0.7
456.28806	0.7
457.33282	0.8
501.32220	2.0
593.26318	100.0
594.26685	14.6
596.46918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Pelargonin
Peak:m/z	Relative Intensity
55.74427	0.6
59.01248	2.1
61.77365	0.7
62.17183	0.7
69.80222	4.8
71.01242	2.2
72.71102	0.8
79.95613	0.9
83.01247	1.1
85.02833	1.4
86.96575	0.7
87.00748	0.9
91.28340	0.7
93.03352	1.9
96.95887	10.7
98.20486	1.1
99.00746	1.6
101.63487	0.8
107.01266	1.8
112.98724	1.0
113.02298	0.8
133.02888	1.0
135.04520	0.8
141.37340	0.8
145.55107	0.8
149.00818	0.8
151.00305	1.9
154.04199	0.8
159.04440	1.4
165.01871	0.8
169.06540	1.3
171.04405	0.8
183.04451	3.0
185.05891	1.3
191.05566	3.2
211.03905	2.6
213.05592	2.1
214.02625	1.9
215.03465	1.4
227.03445	8.4
229.05002	1.5
239.03476	1.4
241.01375	2.2
241.04884	1.1
243.02969	1.8
245.00937	1.1
255.02959	58.1
256.03326	4.4
257.04581	1.5
270.01614	1.3
271.02325	1.6
283.02460	100.0
284.03046	13.3
285.04016	66.7
286.04251	5.4
299.01935	3.4
327.05289	0.8
329.49045	0.9
401.10547	0.8
430.08978	20.9
431.09769	33.3
432.10062	4.1
447.09290	30.8
448.09671	3.4
593.15173	52.1
594.15436	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.2
63.02253	1.7
65.00191	0.7
69.45448	0.7
69.45840	2.6
71.01259	1.0
75.00726	0.4
79.95599	0.5
85.02819	0.6
87.00733	0.5
93.03324	0.8
96.95890	8.5
98.20520	0.6
101.02300	0.7
107.01260	1.4
113.02316	0.7
117.03310	2.9
133.02924	0.4
135.04378	0.7
149.02368	0.9
151.00249	0.9
159.04431	1.5
161.02359	1.1
161.04520	0.4
167.45515	0.3
169.06418	0.5
183.04446	0.5
191.05527	1.6
197.06078	0.5
201.05579	0.9
225.05542	1.4
227.03476	1.5
255.03055	1.9
268.03748	2.0
269.04532	100.0
270.04855	7.9
284.03314	3.0
285.03973	6.1
286.04462	0.8
309.48227	0.4
391.93845	0.4
447.09766	0.4
593.15057	8.2
594.15460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12150	0.1
59.01243	0.4
63.02258	1.2
63.02535	0.1
65.00169	0.6
69.29408	0.3
69.29830	0.9
78.92513	0.1
83.01257	0.2
93.03330	0.2
96.95879	0.7
98.20518	0.2
98.52950	0.1
101.02314	0.2
105.03349	0.2
107.01263	1.4
117.03349	2.9
118.21928	0.1
121.02830	0.2
133.02826	0.2
135.04408	0.3
141.01648	0.2
141.03329	0.1
148.01561	0.1
149.02328	1.0
151.00279	1.1
155.04813	0.2
159.04424	1.2
161.02373	0.8
169.06485	0.4
178.99808	0.2
181.06509	0.4
183.04440	0.6
187.03914	0.2
196.05173	0.2
197.06006	0.5
199.03922	0.3
201.05479	0.4
203.03435	0.3
224.04802	0.3
225.05478	0.7
227.03442	2.9
228.03894	0.2
229.05054	0.1
239.03278	0.2
240.04146	0.1
241.04874	0.3
243.02917	0.2
255.02959	6.0
256.03482	0.8
257.04404	0.2
268.03757	1.9
269.04538	100.0
270.04892	8.2
271.02341	0.6
283.02554	0.3
284.03253	8.5
285.03961	3.1
286.04401	0.2
296.20016	0.1
299.01968	1.0
300.02707	0.5
301.03503	1.4
311.05530	0.2
326.35190	0.1
327.04968	0.2
446.08585	0.2
447.09247	0.8
593.15125	7.3
594.15479	1.1
618.46875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.0
65.00166	0.6
69.85210	2.0
71.01253	1.6
73.94955	0.5
78.95773	2.2
78.98466	1.1
79.95612	2.4
80.96387	12.1
85.02822	0.7
86.26259	0.6
87.00748	0.9
94.97962	2.4
96.95885	2.6
113.09600	0.9
120.02017	0.8
121.02834	100.0
122.03208	4.0
122.97485	1.0
125.02425	0.7
134.97476	1.4
136.01505	0.6
148.99049	1.1
152.98535	0.8
164.98506	1.7
165.01802	4.4
168.57306	0.6
181.06514	3.4
197.05902	1.2
199.39726	0.6
209.04478	66.4
210.04813	3.3
225.00716	3.2
225.05551	1.9
233.82402	0.6
237.68980	0.6
246.86514	0.7
285.04034	1.3
293.21222	4.2
294.21353	1.1
313.07172	1.2
324.62671	0.7
357.06131	2.4
383.07712	3.4
395.27853	1.1
401.09253	0.8
417.09512	1.0
459.43964	0.7
505.11154	1.8
518.28955	2.6
519.28961	1.9
520.30286	0.7
549.10077	4.2
593.13214	7.1
593.26324	18.6
594.13336	1.6
594.26947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15778	0.1
52.35883	0.1
57.78426	0.1
59.01238	0.2
63.02267	0.9
65.00174	0.7
69.96421	0.3
69.96812	0.5
83.01262	0.5
96.95882	0.5
101.02256	0.1
103.01781	0.1
105.03324	0.3
107.01264	1.5
109.02816	0.7
120.53365	0.1
121.02822	0.5
122.74520	0.1
133.01836	0.3
133.02843	4.3
134.03563	0.2
135.04308	0.2
145.47073	0.2
149.02335	1.5
151.00270	3.3
151.03828	0.2
157.06418	0.2
159.15439	0.2
167.04915	0.2
169.01341	0.2
171.04405	0.4
173.05971	0.2
175.03920	1.6
177.01787	0.3
183.04471	0.2
185.05991	0.3
187.03920	0.3
189.05507	0.2
196.05072	0.1
197.05998	0.4
198.03172	0.2
199.03914	1.9
200.04349	0.2
201.01823	0.5
211.04001	0.4
213.05479	0.5
215.03375	0.4
217.04996	1.2
227.03384	0.6
229.05014	0.3
239.03438	0.3
240.04005	0.2
241.04956	0.8
243.02898	0.8
255.02968	0.6
256.03671	1.1
257.04504	0.4
267.03006	0.3
268.03677	0.2
269.04590	0.3
270.33588	0.2
283.02448	0.5
284.03247	14.3
285.04013	100.0
286.04373	8.6
297.03970	0.2
299.02170	0.2
327.05029	0.7
593.15063	46.9
594.15375	7.8
611.99506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89767	3.0
59.01250	100.0
61.95818	3.2
61.98699	15.3
64.24345	3.1
66.42526	3.4
70.29569	14.7
71.01249	35.0
73.02811	9.4
78.98438	5.2
79.95591	8.8
80.96385	61.7
83.01228	4.1
85.02822	9.1
87.00756	6.5
89.02316	9.5
94.97933	7.1
95.01270	4.5
97.02855	4.2
101.02331	19.5
105.03573	4.0
113.02315	10.0
122.97442	3.8
125.02347	6.5
134.97440	3.9
141.06573	9.2
143.10658	6.8
148.99048	3.9
152.98518	4.6
161.04434	3.8
164.98526	8.8
192.95918	4.0
225.00679	14.7
230.25841	3.3
242.44147	4.1
263.20230	3.8
310.89063	3.2
343.28378	7.1
407.51794	4.4
487.32690	60.7
488.32983	5.8
505.33896	15.7
555.26410	4.8
591.24896	61.2
592.24982	12.2
592.32831	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04060	2.6
59.01249	100.0
60.01594	2.5
69.03314	2.7
69.47224	8.5
69.47648	13.9
71.01250	39.2
71.04875	8.0
73.02816	8.9
78.95774	4.4
79.95607	3.0
80.96385	7.8
85.02823	17.3
89.02283	7.9
92.06986	2.5
96.95890	9.5
98.19813	6.2
98.73736	2.9
99.00720	4.4
101.02310	16.8
101.05955	4.1
101.58598	2.9
113.02312	20.6
134.03583	3.2
161.04486	13.6
192.95758	5.1
197.11661	3.4
227.80873	3.2
253.09213	6.7
309.20676	4.5
343.28171	3.7
385.26016	4.0
487.32663	36.0
488.32648	4.9
505.33560	21.0
547.34253	4.6
591.24316	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52990	0.1
59.01247	0.2
63.90680	0.2
65.07697	0.1
69.32554	0.1
69.45467	1.3
77.03835	0.3
80.96396	0.3
91.01766	0.2
96.81885	0.1
98.60177	0.1
108.02058	0.2
109.43679	0.1
120.02069	0.6
121.02846	100.0
122.03172	3.1
136.01540	0.3
165.01837	3.6
166.02107	0.2
180.05722	0.4
181.04996	0.3
181.06517	2.3
197.06013	1.9
207.04440	0.6
207.08064	0.3
209.04498	54.2
210.04851	2.2
223.03912	0.2
225.05553	2.1
226.05841	0.2
243.08588	0.1
250.84253	0.2
251.07039	0.4
257.09723	0.5
285.03922	0.2
285.09225	0.2
301.08740	0.4
313.07129	1.8
329.08295	0.3
357.06247	0.8
373.10364	0.2
383.07700	0.8
401.08945	0.3
417.09689	0.8
505.11508	2.4
506.11801	0.2
520.74365	0.2
549.01697	0.2
549.10370	6.1
550.10803	0.9
593.13013	8.2
593.26385	0.4
594.13318	1.2
609.31409	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88353	1.9
59.01250	100.0
69.03311	1.8
70.82257	4.3
71.01258	23.8
72.34506	1.9
73.02809	8.3
78.95782	2.3
80.96381	5.8
81.03334	1.9
83.01264	4.8
85.02830	7.8
87.00727	5.1
87.42803	2.1
88.96945	1.7
89.02322	8.2
95.01279	3.5
96.95874	5.9
99.00716	1.9
101.02318	17.0
111.00739	2.5
112.98661	3.4
113.02325	9.1
119.03371	5.1
125.02298	2.4
143.03447	2.0
143.10684	5.8
152.53685	1.7
161.04454	3.4
171.10115	2.4
179.05405	1.8
190.97902	2.0
192.95755	1.9
197.24614	1.9
225.00664	3.7
291.19568	2.3
309.20801	5.9
325.27386	3.4
343.28464	6.5
367.28299	2.6
487.32758	68.5
488.32883	9.4
494.46429	2.0
505.33752	28.1
506.33951	3.5
531.28082	3.0
591.24860	9.7
592.24683	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70327	2.6
52.99808	2.3
53.40033	2.1
55.25032	2.3
55.38303	2.2
56.63342	2.2
57.03313	2.9
59.01247	100.0
61.98699	6.7
70.81097	6.6
71.01238	21.6
73.02833	5.8
74.29463	2.3
83.01263	3.6
85.02813	7.0
89.02311	6.5
95.01252	3.7
96.95891	6.0
97.14114	2.3
99.00729	4.0
101.02321	11.1
106.04111	3.3
107.04910	21.5
112.98658	3.8
113.02345	12.1
119.03354	3.0
124.54923	2.6
125.02323	4.7
126.99427	2.6
134.99861	2.6
143.10606	2.8
152.99484	3.3
161.04428	4.9
173.02112	19.8
183.13786	3.1
195.13724	3.2
213.14885	12.1
225.19789	2.5
225.78079	2.6
237.20027	2.3
269.93713	2.8
317.06671	5.7
335.07321	7.2
343.28458	3.3
411.03134	3.2
487.32764	42.4
488.33090	6.2
505.33801	16.2
531.21716	7.1
591.33496	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11682	2.7
59.01249	100.0
61.98682	4.5
69.03297	4.5
69.36383	23.2
71.01255	21.2
71.22276	2.6
73.02804	5.8
79.86493	2.3
85.02808	8.5
87.00750	3.0
89.02316	5.0
96.95876	8.1
97.02855	3.1
97.06476	3.1
99.00746	4.3
101.02324	9.2
113.02304	10.6
133.02827	2.8
135.04376	4.5
161.02304	5.4
161.04443	3.6
179.03406	4.4
192.06554	2.9
227.69839	3.0
234.07632	9.9
304.97513	5.3
343.28436	6.9
427.19958	3.3
487.32779	30.6
488.33255	3.9
505.33749	13.0
531.27704	2.9
591.32214	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	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35196	1.8
57.03297	3.4
59.01252	100.0
60.01585	2.3
64.03739	2.0
69.03318	5.2
71.01254	31.9
71.57688	2.6
72.99199	2.2
73.02811	17.4
81.27322	1.7
83.01255	5.7
85.02826	8.0
86.02346	5.3
87.00750	42.0
88.00279	13.6
88.98683	1.9
89.02317	16.0
90.13155	1.9
95.01287	2.6
96.95890	24.9
98.95493	4.7
99.00755	2.3
101.02317	20.9
103.00211	1.9
111.04331	1.8
112.98676	2.0
113.02321	12.5
119.03428	4.4
125.02327	3.6
131.03391	2.4
133.02792	2.2
137.09706	1.7
149.04419	3.2
161.02400	1.7
161.04427	5.8
173.13248	5.6
179.03276	2.1
179.05518	2.3
185.00847	2.8
217.12263	8.4
261.11292	51.8
262.11700	3.8
273.80716	1.8
285.03989	3.0
309.04269	2.0
325.20190	3.7
329.06323	3.2
335.27420	1.9
343.21185	12.7
356.05984	1.9
447.09210	3.9
503.24649	3.3
505.25873	2.4
529.26605	4.1
547.27600	94.6
548.27722	11.8
591.17712	7.1
591.31635	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	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32199	1.0
57.03317	4.1
59.01249	19.2
60.44786	1.2
68.43283	1.0
69.03314	1.4
71.01244	7.7
71.04861	1.2
71.58116	1.9
73.02814	4.7
75.53583	1.1
79.95599	2.5
83.01234	2.2
83.04934	1.1
85.02825	11.3
87.00732	2.4
88.98631	2.5
89.02312	4.4
93.03358	1.6
95.04893	6.9
96.95885	31.7
98.95485	2.2
99.00778	1.3
101.02306	4.7
107.04884	1.1
108.31639	1.0
109.02840	1.3
110.03571	1.3
112.98600	1.1
113.02318	3.3
125.02299	1.7
125.09646	1.8
128.03442	1.3
133.02852	1.4
135.04376	2.7
151.03923	2.4
161.04349	1.1
163.02267	1.1
171.10168	13.8
174.55809	1.1
177.12746	1.9
179.03433	2.2
185.11725	3.7
190.71172	1.1
191.05510	3.5
191.14226	1.2
209.11742	4.3
211.13303	6.0
217.10631	1.4
221.11807	9.1
229.14439	9.7
239.12872	6.5
245.18884	1.1
249.14955	1.5
258.77313	1.1
259.52808	1.2
263.16437	1.7
267.06235	1.3
276.83820	1.2
284.03256	1.7
285.04132	5.4
289.18109	1.4
307.19156	1.4
325.20236	3.4
330.29471	1.1
343.21219	100.0
344.17126	3.1
344.21588	9.1
355.05029	1.5
360.33380	1.2
367.21317	1.2
445.55527	1.1
447.09201	4.0
461.17770	1.2
495.56415	1.2
505.12985	1.4
529.07922	2.8
547.27411	12.5
573.44312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2484
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01243	3.3
61.41147	0.5
63.96107	1.4
71.01252	9.5
71.58441	0.9
73.02818	2.4
78.95776	1.7
78.98455	6.0
79.95608	14.3
80.96393	71.3
81.03322	0.9
85.02829	3.3
87.00750	2.5
93.03310	1.1
94.97963	17.1
96.95899	3.6
97.02834	1.1
99.00735	0.8
101.02316	2.8
106.97964	3.4
107.55732	0.7
113.02393	0.7
113.81430	0.6
122.97467	5.9
125.02376	4.5
127.03922	1.0
134.97499	5.3
135.04390	0.7
136.98990	1.1
138.77817	0.6
148.99065	7.4
152.98534	8.3
152.99663	0.8
164.98560	14.3
165.12738	1.2
182.99602	2.8
191.05493	0.8
200.10661	0.6
203.28986	0.6
206.69983	0.7
206.99637	3.8
225.00706	22.1
226.00931	0.8
243.01778	2.5
291.19568	3.1
299.04410	3.2
361.30835	0.6
368.24335	0.6
591.24811	100.0
592.25098	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	591.2477
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03305	0.7
59.01243	4.7
61.98704	2.2
63.96095	1.7
66.36742	0.5
69.03320	1.2
69.36606	0.5
70.34013	1.8
71.01252	10.0
71.04879	0.6
73.02818	2.1
76.83874	0.4
78.95771	0.5
78.98454	7.2
79.95602	14.6
80.96385	86.7
81.03301	0.9
83.01252	0.6
85.02813	3.9
87.00733	3.1
87.04368	0.4
94.97955	19.1
96.95882	1.6
97.02833	2.0
99.00740	0.6
101.02322	2.8
106.97958	3.8
113.02324	0.9
122.97440	4.0
125.02339	3.3
127.03887	1.0
134.97462	6.6
136.99019	1.5
148.99042	7.4
152.98526	7.3
158.28278	0.5
164.98547	14.0
167.00127	0.8
183.49754	0.4
188.98674	0.5
206.99544	2.5
216.42783	0.4
225.00679	16.8
226.01044	0.6
243.18376	0.4
291.19681	0.9
293.21356	0.8
299.04330	3.0
373.21277	0.6
457.71924	0.5
487.32837	0.8
518.29004	0.5
591.24768	100.0
592.25067	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	591.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71096	0.4
55.01782	0.4
55.44971	0.4
57.03329	1.1
58.00476	2.0
59.01247	10.2
63.89194	0.4
67.01773	0.7
69.03319	3.0
71.01248	9.5
71.01605	0.7
71.58579	0.6
72.99188	0.9
73.02814	9.9
74.03162	0.5
75.00755	0.5
81.03333	1.0
83.01253	3.3
85.02826	3.4
87.00751	2.6
89.02330	1.3
91.01770	1.4
93.03349	4.1
95.01231	2.3
96.95889	5.2
97.02844	4.3
98.95446	0.5
99.00749	1.5
101.02317	27.5
106.04120	15.1
107.04904	30.8
108.02057	7.5
108.05244	1.0
109.02853	0.8
111.00756	1.0
113.02330	8.6
115.03873	0.5
117.03340	1.0
119.04919	4.3
121.02844	6.2
123.04404	8.1
125.02335	7.3
130.04170	0.5
131.04895	1.5
131.43466	0.4
132.02100	1.0
133.02840	36.5
134.03189	1.2
135.04402	0.9
138.03094	1.9
143.03386	9.1
145.02835	0.9
147.04410	7.2
149.02368	0.8
149.05962	1.1
151.03906	100.0
152.04253	3.7
155.03372	0.6
155.81186	0.5
161.04453	4.1
161.05980	5.0
163.03957	1.1
165.05476	31.7
166.05844	0.9
167.03400	1.1
173.06128	0.5
175.03915	76.8
176.04243	4.3
185.04445	3.2
185.05937	0.8
187.07545	0.6
193.04980	49.1
194.05385	2.7
203.05444	0.8
205.05013	8.1
205.08588	3.4
207.06476	0.6
209.04672	0.5
217.04993	0.7
223.06064	11.0
224.06450	0.7
235.06059	2.5
253.07132	12.4
254.07327	1.0
267.08655	1.0
277.07068	1.8
295.08203	34.6
296.08585	2.2
305.08762	1.3
313.09360	0.8
337.09265	0.8
376.53845	0.5
439.12390	0.7
457.13763	0.8
547.27057	1.2
591.16345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02747	1.6
53.24412	1.6
57.03328	2.6
58.00474	2.2
59.01248	100.0
70.45867	7.0
71.01245	29.0
72.99180	4.8
73.02817	13.4
78.95777	4.8
83.01261	4.4
85.02829	7.7
86.57890	1.5
87.00745	6.8
89.02325	13.4
96.95888	28.6
96.96820	2.0
97.02801	2.0
98.95418	3.2
99.00798	3.2
101.02319	17.0
112.98728	4.0
113.02330	19.8
119.03381	4.2
119.04919	1.9
120.99580	2.1
127.00069	1.8
133.02792	1.8
134.03607	3.4
134.04626	2.0
135.04370	2.5
149.00803	3.4
149.02361	2.1
149.04445	4.1
151.03839	2.2
161.02312	2.3
161.04462	9.2
177.01822	2.6
178.02521	2.1
179.03354	1.9
179.05489	2.0
188.16771	1.9
208.69208	2.1
275.09399	2.2
327.21695	1.9
355.52539	1.9
485.30835	5.6
503.32397	3.5
529.26678	5.1
589.34186	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	591.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03325	0.6
58.00455	0.7
59.01251	31.0
60.01569	0.6
61.98711	0.5
69.03320	0.9
69.47962	1.7
69.48391	1.1
71.01252	16.2
72.99184	1.1
73.02821	11.0
75.00765	0.6
76.96897	0.6
78.95788	0.6
79.95604	3.4
80.96376	0.8
81.96987	0.3
83.01245	2.9
85.02812	5.5
87.00745	2.5
88.55579	0.3
89.02312	6.4
90.81121	0.3
95.01279	1.4
95.95115	0.6
96.95889	100.0
97.02818	0.4
97.95872	0.3
98.19818	0.6
99.00750	0.9
101.02321	11.6
101.05956	0.7
103.00228	0.7
109.02870	0.3
113.02329	8.4
117.03342	0.5
119.03381	2.1
119.08557	0.4
120.95907	1.0
120.99587	0.5
125.02314	0.4
129.01837	0.5
131.03375	0.9
132.02069	0.7
133.02852	14.0
134.03535	0.4
135.04427	1.9
138.96960	0.7
141.01627	1.9
143.03418	1.2
145.02858	0.5
149.04431	0.5
154.18631	0.3
159.11690	1.3
161.02351	44.1
161.04271	2.7
162.02713	1.7
173.09669	0.4
179.03430	0.8
179.05424	0.4
181.10336	0.4
183.10152	1.6
183.11696	0.4
183.13652	0.5
189.12794	0.5
195.13930	0.4
201.12863	0.5
203.10873	0.3
207.13857	0.4
213.14900	1.9
214.15193	1.1
217.12289	3.6
221.06642	0.4
227.10730	0.7
235.13359	4.3
241.00221	0.9
242.09433	0.3
245.11766	0.7
263.12888	0.5
283.01288	0.7
325.07449	0.4
341.31033	0.3
343.08646	1.4
379.17697	1.1
397.18768	1.7
407.16962	2.9
421.18726	0.6
425.18143	2.4
439.19833	1.8
467.19177	7.8
468.19577	1.1
487.12875	0.5
505.13919	12.5
506.14160	1.4
530.27222	0.7
531.26392	0.6
547.14868	21.6
548.15234	3.2
571.29926	0.3
573.12976	0.7
591.13727	14.8
591.21204	10.6
592.12988	1.9
592.21344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02747	1.6
53.24412	1.6
57.03328	2.6
58.00474	2.2
59.01248	100.0
70.45867	7.0
71.01245	29.0
72.99180	4.8
73.02817	13.4
78.95777	4.8
83.01261	4.4
85.02829	7.7
86.57890	1.5
87.00745	6.8
89.02325	13.4
96.95888	28.6
96.96820	2.0
97.02801	2.0
98.95418	3.2
99.00798	3.2
101.02319	17.0
112.98728	4.0
113.02330	19.8
119.03381	4.2
119.04919	1.9
120.99580	2.1
127.00069	1.8
133.02792	1.8
134.03607	3.4
134.04626	2.0
135.04370	2.5
149.00803	3.4
149.02361	2.1
149.04445	4.1
151.03839	2.2
161.02312	2.3
161.04462	9.2
177.01822	2.6
178.02521	2.1
179.03354	1.9
179.05489	2.0
188.16771	1.9
208.69208	2.1
275.09399	2.2
327.21695	1.9
355.52539	1.9
485.30835	5.6
503.32397	3.5
529.26678	5.1
589.34186	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24560	0.7
57.03320	1.3
59.00946	1.7
59.01247	35.5
61.98705	1.0
62.34988	0.8
62.68918	0.7
64.95121	5.3
69.82503	2.6
69.82912	2.9
71.01241	5.6
71.04884	2.3
73.02821	1.1
78.08466	0.8
78.95807	0.8
85.02809	1.4
85.17502	0.8
87.00760	1.2
89.02345	4.9
96.95886	1.5
98.19868	1.4
101.02304	5.8
113.02300	3.4
119.03368	1.5
160.20581	0.9
161.04430	2.0
173.13222	0.9
179.05563	1.1
205.10452	2.5
217.12262	3.0
221.15315	1.1
223.16953	2.0
231.21056	1.5
235.16994	22.6
249.09592	1.2
253.09276	27.5
254.09650	1.0
261.11276	4.2
275.20160	25.7
276.20499	2.0
293.21219	100.0
294.21585	10.1
327.06888	1.2
348.29208	0.8
589.19238	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01600	1.4
61.98716	1.8
69.75157	8.8
71.01250	24.3
72.99169	2.4
73.02816	11.7
78.95782	1.5
83.01248	5.5
85.02818	6.4
86.55505	1.5
87.00745	2.9
89.02307	10.0
96.95889	9.1
101.02319	18.9
105.54155	1.8
113.02326	17.2
119.03377	3.6
133.02849	1.9
134.03625	2.0
135.04376	2.4
143.03426	2.6
148.90944	2.0
149.00815	2.5
149.04477	2.2
153.36069	1.6
161.04402	8.4
179.05595	1.7
252.93703	1.9
485.31003	6.3
503.32425	3.2
589.33142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57648	2.6
59.01257	20.1
61.98685	2.8
71.01254	8.9
71.21540	5.6
76.07478	3.4
83.40427	2.4
85.02836	3.4
89.02296	5.5
96.95860	2.7
101.02316	6.2
113.02309	4.5
116.96278	2.4
123.09178	2.6
126.34161	2.8
153.05487	6.4
161.04451	3.1
171.10172	2.8
174.11865	2.5
178.85017	2.6
190.84370	2.7
195.13768	8.0
223.13316	7.6
225.24452	3.2
231.15952	8.0
233.11011	2.8
235.17047	3.9
250.40794	2.6
253.09210	31.3
254.09653	3.3
261.33417	2.7
275.20102	9.5
293.21207	100.0
294.21478	10.7
365.99707	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81382	0.9
54.38018	0.8
59.01252	34.5
61.98680	1.1
70.33672	2.0
71.01249	7.2
73.02815	1.9
78.95776	1.0
83.01249	1.3
85.02835	1.2
87.00764	1.1
89.02322	6.7
101.02350	6.8
113.02301	3.2
119.03374	2.3
121.10127	6.3
125.09557	1.2
161.04449	2.6
171.10181	17.4
183.13840	2.8
185.11728	1.5
186.77510	0.9
195.13795	1.0
199.30415	1.0
211.13441	1.1
213.15042	0.9
217.00377	1.2
223.13319	1.4
231.21129	1.2
235.08118	1.1
235.16939	2.6
253.09276	29.1
254.09583	1.3
275.20154	26.6
276.20422	3.4
293.21216	100.0
294.21552	10.8
296.02393	0.9
312.90097	0.8
378.65536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
69.24869	2.0
69.25275	0.5
71.01244	0.3
72.99175	1.7
75.00746	100.0
76.01083	0.9
78.95760	0.5
79.30661	0.2
85.02787	0.2
87.00736	0.5
95.04893	0.2
98.03894	0.2
103.00280	0.3
105.03388	0.3
112.98721	0.5
113.13698	0.2
133.02859	1.7
134.03558	0.3
135.04404	0.3
149.00807	0.3
152.99478	0.9
161.02332	0.2
163.03859	0.2
170.27292	0.2
177.01825	1.3
178.02428	0.3
179.03409	0.3
193.78885	0.2
211.13353	0.5
277.21661	1.5
279.23291	1.3
283.13327	0.2
301.09451	0.2
353.14420	0.2
380.92090	0.2
387.72821	0.2
397.13690	0.3
507.27460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86522	0.2
58.17028	0.2
59.01245	0.2
65.39185	0.2
69.26126	2.0
72.99177	2.1
75.00749	100.0
76.01095	1.0
78.95776	3.3
79.63507	0.2
88.55399	0.2
105.80482	0.2
106.70287	0.2
132.36873	0.2
152.99510	0.4
162.19107	0.2
178.94218	0.3
194.93636	0.9
268.97412	1.5
277.21884	0.6
293.21140	0.2
359.04681	0.2
455.15561	0.3
476.83762	0.2
531.86865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
58.00444	0.9
59.01249	16.0
68.99676	0.9
71.01254	6.6
72.99184	1.1
73.02837	1.0
75.97551	0.4
79.95613	2.9
80.96374	0.5
83.01250	0.7
85.02824	2.3
87.04371	0.8
89.02306	4.7
95.01303	0.7
95.46140	0.4
95.95112	2.4
96.95885	100.0
97.95824	0.6
98.31853	0.4
101.02323	5.2
101.05956	36.9
102.06299	1.0
107.51594	0.4
107.52411	0.4
113.02337	3.9
115.07534	12.4
119.03381	1.6
143.07016	1.1
235.13387	0.7
245.11813	0.8
306.52472	0.4
325.07407	3.7
414.03430	0.7
471.07101	0.5
486.09436	1.3
589.19672	85.8
590.20087	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	589.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55407	1.1
55.01751	2.5
57.03312	2.5
59.01254	17.9
71.01256	32.9
73.02825	13.6
78.95767	1.1
81.03351	1.1
83.01239	4.9
85.02824	12.6
87.00753	3.1
89.02319	6.7
95.01227	1.8
96.95895	13.0
97.02807	2.5
99.00772	6.7
99.04472	1.3
101.02329	25.7
111.00780	1.6
113.02323	13.0
115.03967	1.3
125.02335	3.7
125.05865	1.4
143.03381	2.2
151.36108	1.0
159.02875	1.9
161.04459	10.8
164.23763	1.1
233.06601	1.9
373.32928	1.1
397.22296	8.3
445.89551	1.2
479.22760	1.3
529.26556	100.0
530.26965	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	589.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11542	0.8
57.03325	0.8
58.00447	1.3
59.01248	22.1
61.98671	0.9
67.05172	0.8
71.01245	8.4
71.58756	1.4
72.99175	1.0
73.02814	1.1
79.95604	4.7
80.96385	1.0
83.51246	1.1
85.02818	2.9
87.00756	1.1
87.04376	1.2
89.02319	5.0
95.95083	2.4
96.95885	100.0
101.02296	5.5
101.05957	39.4
102.45255	0.9
109.02818	1.3
113.02308	3.9
115.07509	9.6
119.03333	1.7
123.08031	1.1
143.06950	1.9
153.01822	1.9
178.91951	0.9
217.00258	1.2
235.13322	1.0
245.11690	1.5
325.07358	4.2
363.43530	0.9
384.44235	1.0
487.12753	1.4
589.19531	81.1
590.19855	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	587.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.5
57.96754	0.5
58.00471	0.5
59.01246	10.7
61.65318	0.4
65.14924	0.5
69.03336	0.5
71.01244	4.2
71.54201	0.7
73.02804	0.9
78.95769	1.3
79.95603	0.8
80.96366	0.6
83.01286	0.6
83.04921	0.8
85.02816	1.4
87.00753	0.5
89.02303	2.0
90.27441	0.5
95.95121	0.7
96.95883	22.2
99.04391	4.8
101.02306	2.8
109.02766	0.5
112.98694	1.0
113.02321	3.4
113.05977	1.5
115.54683	0.5
117.96856	0.4
127.07523	0.4
135.04410	0.7
138.27847	0.5
140.37573	0.5
161.04497	1.1
167.14314	0.6
171.10146	0.7
173.00478	0.5
183.13832	7.1
193.12189	1.1
195.13831	22.7
196.14168	1.3
197.11673	0.8
211.13321	34.2
212.13654	1.8
213.14899	10.2
223.13290	0.7
229.14371	6.2
250.21860	0.5
260.22086	0.5
266.90372	0.5
315.26904	1.9
325.07465	1.0
359.25955	2.3
360.25458	0.5
377.26981	4.1
378.27338	0.6
389.27045	1.0
395.28098	0.9
404.01108	0.6
407.28082	3.3
425.29059	100.0
426.29382	12.4
449.29083	1.0
467.30173	4.2
468.29956	0.6
546.74829	0.5
587.17999	15.5
587.33698	4.2
588.18170	3.1
588.34314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03911	5.0
59.01245	100.0
61.98698	9.2
69.61112	36.8
71.01250	21.1
73.01247	5.8
73.02829	5.8
78.95795	10.4
85.02817	15.1
87.00727	6.3
89.02292	9.7
90.55732	5.2
96.95890	52.3
101.02330	7.5
102.82194	6.3
112.98674	6.4
113.02300	14.3
161.04443	7.2
163.14845	6.0
191.05556	11.7
207.47289	5.9
214.21428	6.3
218.81467	6.2
483.29691	25.2
501.30527	13.9
608.94250	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	587.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
55.49489	0.8
57.03288	0.9
58.00457	2.2
59.01249	46.1
61.98666	1.4
64.03542	0.9
69.03313	0.9
71.00888	1.6
71.01253	21.7
71.58511	1.2
72.99164	2.5
73.02804	2.3
74.98806	0.9
78.95769	1.4
79.95604	1.4
80.96362	1.7
83.01265	1.7
83.04886	1.4
85.02822	5.6
87.00761	2.6
89.02309	15.1
95.01299	1.0
96.95885	32.2
99.04402	3.1
101.02316	12.3
112.98677	2.5
113.02346	8.4
113.06002	1.3
113.12473	1.0
116.97115	2.9
119.03383	3.7
123.04417	1.5
133.02827	0.9
134.03618	1.2
135.04350	1.5
161.04547	1.0
163.20073	0.9
170.92589	0.9
171.10223	1.4
182.43149	0.9
183.13777	3.0
195.13843	7.7
195.17482	2.3
211.13321	8.5
212.13596	1.0
213.14934	1.3
259.09641	0.9
296.76862	0.9
300.14053	0.9
315.27017	1.3
339.25342	7.1
340.25726	1.6
359.26169	1.4
371.25946	1.4
377.26984	2.2
379.85690	0.9
389.26962	1.8
407.28085	3.6
425.28836	4.6
587.18817	23.0
587.34314	100.0
588.19238	5.4
588.34668	17.8
604.13239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.4
59.01250	100.0
61.38552	1.4
61.98698	2.5
71.01257	25.0
71.14218	3.6
72.99194	2.0
73.02833	7.4
75.31042	1.7
78.95734	2.2
83.01228	3.2
85.02826	9.6
85.36937	1.6
87.00748	6.8
87.04385	2.9
89.02316	7.5
95.01276	3.4
96.95893	15.1
99.00735	2.3
101.02341	12.5
106.90839	1.6
109.02838	1.8
112.98687	6.1
113.02316	19.9
119.03394	3.2
125.02308	2.3
133.02867	1.9
134.03610	3.8
135.04404	18.0
137.02313	2.4
149.00865	8.3
161.04451	8.6
178.02617	6.8
179.03407	9.7
219.02881	2.2
275.09399	4.8
293.02911	2.9
293.10291	3.1
346.77493	1.6
404.85382	1.7
425.11215	2.2
483.29623	29.0
484.29987	2.3
501.30579	13.0
502.31436	1.8
577.56006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	86.4
61.98713	6.8
62.69777	4.0
69.03307	4.1
69.86177	23.9
71.01252	63.4
73.02806	8.2
78.95780	6.6
83.01290	5.8
85.02824	11.6
87.00750	4.5
89.02320	100.0
96.95900	13.3
97.02813	7.6
98.19791	5.2
99.00757	18.5
101.02335	38.5
112.42981	4.8
113.02325	16.3
115.03905	4.7
125.02335	36.9
131.03394	14.8
149.04448	57.0
160.70854	4.4
188.99243	4.3
191.05513	14.7
203.86560	4.2
233.06589	15.5
233.15393	39.8
275.07693	5.6
275.16525	8.7
291.19656	11.8
293.08801	59.2
305.17297	5.5
308.88257	3.9
374.42664	4.6
545.29584	13.0
587.30524	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91054	0.6
59.01249	12.9
70.23553	0.6
71.01249	2.7
71.57138	1.2
73.02798	1.0
78.95778	0.9
79.12740	0.6
83.01249	0.8
85.02826	1.4
86.24519	0.6
87.00710	0.8
89.02320	3.6
93.80218	0.6
95.01268	0.7
96.95874	1.3
101.02329	3.7
104.47294	0.6
107.00819	0.8
113.02307	1.5
135.04362	0.9
147.61234	0.6
148.08833	0.9
151.74461	0.9
161.04431	1.6
163.11343	1.0
165.12767	14.7
166.13139	1.2
171.10211	0.7
175.26004	0.7
191.05524	0.9
197.11700	0.8
247.20636	8.5
253.09285	16.2
254.09554	0.9
265.07535	1.6
273.18616	4.0
291.19641	100.0
292.19955	8.4
299.42694	0.6
502.39874	0.7
538.81250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
59.01247	11.9
64.67258	1.8
69.03333	2.5
71.01252	5.1
71.57053	2.6
78.95787	2.2
82.51508	1.7
97.06432	2.8
97.69139	2.0
101.02308	2.6
111.08032	7.5
113.02330	8.7
116.92678	1.8
120.02715	1.9
130.72365	1.8
165.12756	41.6
166.13060	2.7
183.13840	29.2
195.13829	12.3
195.79642	1.7
213.14899	98.9
214.15208	6.3
227.12837	6.0
255.21657	1.7
423.27478	100.0
424.27905	12.3
560.34729	1.9
585.30615	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.1
58.36478	0.5
59.01250	17.4
59.24949	0.5
61.98691	0.6
64.78184	0.6
71.01250	8.8
71.17815	0.6
72.99156	1.1
73.02809	2.1
74.06959	0.5
78.95762	1.3
79.05392	2.0
79.95600	4.6
81.03333	1.3
83.01265	1.2
83.04900	0.7
85.02817	3.0
87.00715	0.7
89.02305	5.2
95.01308	0.5
95.04877	0.6
95.95135	3.1
96.95885	100.0
97.06475	2.1
99.04394	9.2
101.02325	7.4
111.04412	1.0
113.02347	5.0
113.05975	3.8
119.03383	2.1
123.04414	2.3
127.64750	0.6
135.04443	1.5
135.54419	0.5
135.95490	0.6
141.05460	1.8
152.99347	0.7
153.05481	0.7
161.04462	0.8
171.10118	1.0
191.05531	1.0
217.12312	2.7
235.13388	1.0
245.11801	0.8
255.03101	0.7
261.11337	2.2
325.07388	3.4
415.26495	0.6
425.29138	2.1
587.17999	85.3
588.18280	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	585.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15973	0.3
52.18404	0.3
57.03327	0.5
59.01247	25.7
61.98708	2.7
65.07259	0.3
66.07687	0.3
66.27491	0.3
70.35613	0.9
71.01256	2.9
72.99165	0.3
73.02817	4.1
78.95789	0.6
83.01250	5.1
85.02827	0.9
87.00760	0.9
89.02329	0.4
93.03342	0.6
93.47521	0.4
95.04893	0.7
96.95892	1.6
97.02837	0.7
97.06420	0.5
98.19903	0.3
99.00774	0.3
99.04389	0.7
101.02295	2.7
102.02644	0.4
109.02812	0.4
112.98682	1.0
113.02306	1.5
117.97337	0.3
121.02828	2.0
122.03621	0.9
123.04403	83.5
124.04756	2.9
133.02855	1.2
134.03642	0.3
135.04416	1.0
149.00764	0.7
151.03862	0.9
152.04724	0.9
153.05472	100.0
154.05798	4.0
167.10680	1.0
179.03323	0.5
195.06528	1.7
207.13802	1.1
209.11758	2.1
219.06606	0.5
223.13226	0.4
225.14995	2.1
227.12823	10.5
228.13141	0.5
233.11789	0.9
251.12888	0.9
267.06430	0.3
269.13904	2.9
287.14987	5.1
288.15475	0.5
297.09702	2.0
311.14948	0.4
315.10898	3.8
329.15845	0.4
357.11865	4.9
371.17004	0.6
409.12872	0.5
413.18015	0.6
431.19095	2.9
473.01007	0.3
553.41333	0.4
567.24329	2.8
568.24158	0.4
585.25488	42.1
586.25922	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	585.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22810	0.3
59.01247	4.6
59.40026	0.4
59.93924	0.3
61.98685	0.3
67.01782	0.3
68.26715	0.3
69.03364	0.3
71.01260	3.0
71.38461	0.4
71.38815	0.6
73.02813	1.6
78.95785	0.5
79.95606	0.6
81.03351	0.3
83.04888	4.2
85.02835	0.5
87.00751	0.7
89.02314	3.4
91.69870	0.3
93.03280	0.3
93.06959	0.6
96.95884	5.8
97.02806	2.1
99.04385	0.4
99.43476	0.4
101.02322	3.5
103.00242	0.4
105.06977	0.7
108.02054	0.4
111.04398	24.2
112.04733	0.7
113.02348	1.2
117.06950	1.1
119.03386	1.4
119.04884	0.4
119.08559	0.9
121.02769	0.5
121.06477	0.7
122.03636	0.8
123.04381	0.9
125.02341	1.5
131.08569	0.6
133.06424	0.3
133.68703	0.3
135.04427	0.5
135.08080	0.9
136.01546	0.5
143.03374	0.5
145.10080	0.7
147.04372	0.4
147.08041	1.2
148.05179	1.2
149.02321	0.4
149.05960	0.7
150.03146	0.8
151.03879	1.3
151.07558	2.0
157.10172	0.8
160.05173	0.5
161.04492	0.7
161.05978	0.7
161.09612	0.8
163.07553	6.4
165.05428	0.7
169.10144	0.4
170.07936	0.3
171.11688	1.1
173.04466	0.4
173.13275	14.4
174.13579	1.0
175.07535	7.0
175.11165	1.1
179.05528	2.4
181.60271	0.3
184.08902	0.4
187.11221	1.1
189.09085	1.0
189.12729	1.5
191.05579	0.7
195.06444	0.4
197.09711	0.3
199.11194	3.7
201.09183	0.4
202.09869	0.5
215.10767	0.5
217.12277	84.5
218.12595	5.7
221.06590	0.5
226.80878	0.3
243.10205	0.7
261.11288	100.0
262.11606	7.0
341.83286	0.3
343.54169	0.3
585.21979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86334	0.5
57.10546	0.5
58.84425	0.5
59.01255	0.7
63.96100	1.3
69.03336	0.9
70.00544	1.3
70.00940	1.2
71.01260	7.2
73.02814	1.4
74.78812	0.5
78.98463	7.2
79.95604	10.2
80.96387	69.4
81.03335	0.8
85.02817	3.0
87.00729	1.2
94.97958	16.2
96.95916	0.8
97.02811	1.2
99.00762	0.8
101.02317	2.9
106.97952	3.1
122.97451	2.2
125.02316	2.2
127.03822	0.6
134.97473	3.8
136.99016	1.6
140.77065	0.5
148.99075	5.5
152.98552	5.6
164.98544	11.8
167.00177	0.6
206.99617	2.3
225.00687	16.7
226.00935	0.7
280.23682	0.7
283.26328	1.7
284.61313	0.6
299.04456	3.1
335.98737	0.5
439.55240	0.6
583.31512	100.0
584.31836	14.4
584.41071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76326	0.2
59.01251	8.6
59.69168	0.2
63.25328	0.2
69.31155	1.9
69.31563	0.6
71.01251	2.1
73.02818	3.0
79.38834	0.2
81.03342	0.5
83.01254	4.5
85.02837	0.4
87.00765	0.3
87.32077	0.2
89.02306	0.4
91.01782	0.3
96.95893	4.3
97.02825	0.3
97.06499	0.3
101.02325	2.5
108.02055	2.6
109.02835	79.4
110.03176	2.7
111.04411	0.5
112.98666	0.5
113.02344	1.0
125.02349	0.5
133.02936	0.2
135.04446	0.4
143.03415	0.4
149.00780	0.3
152.01111	0.6
153.01839	100.0
154.02170	3.9
161.04539	0.3
163.07545	0.3
167.10718	1.0
179.03467	0.4
179.05498	0.3
209.11775	1.0
217.12300	1.8
225.14975	1.2
227.12845	5.1
228.13191	0.4
233.11859	0.8
234.48732	0.2
251.12860	1.0
261.11353	2.2
269.13934	2.6
287.15009	7.4
297.06110	0.3
311.14978	0.5
315.06906	0.7
329.16055	1.1
357.08237	0.7
371.17108	1.1
413.18213	0.6
431.19214	9.1
432.19269	1.2
564.10077	0.3
577.11566	0.3
585.21906	11.4
586.22223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16435	0.5
59.01253	4.7
61.53708	0.4
61.98727	0.5
71.01250	3.3
71.30180	0.4
71.58733	0.5
73.02839	0.4
76.59534	0.4
78.95782	0.9
83.01270	0.4
85.02840	1.5
87.00777	0.7
89.02329	1.8
92.54075	0.4
93.03345	4.7
95.01284	0.5
95.04910	0.6
96.95891	10.9
101.02348	1.4
105.03381	0.5
106.90220	0.4
108.02109	0.4
109.96435	0.4
112.98707	0.7
113.02361	1.0
121.02845	5.3
122.03633	14.6
123.00817	0.5
123.04387	1.2
124.01601	1.0
132.02017	0.4
133.02869	2.2
134.03658	0.8
135.04419	1.6
136.01575	2.1
137.02362	0.5
147.04506	0.5
148.01686	0.5
149.02351	31.3
150.03140	92.0
151.03513	2.9
159.04498	0.5
160.01601	0.6
161.04507	0.4
162.03163	1.7
163.03922	0.9
164.04710	6.9
165.05495	100.0
166.05821	3.3
175.03864	0.8
177.05498	3.3
179.03430	0.8
179.07043	1.0
179.08591	0.4
180.04228	5.8
181.04718	0.5
183.10240	0.4
189.58279	0.4
190.06201	1.1
191.05486	1.4
194.05634	0.5
195.06566	58.2
196.06909	2.8
203.07195	0.6
220.52434	0.4
224.06796	0.9
251.07027	0.4
267.06638	0.9
268.07327	2.0
279.06696	0.9
279.10226	0.6
280.07251	0.7
283.06885	0.6
283.09604	1.9
284.02869	1.0
284.06750	0.5
285.03674	0.6
293.08176	0.9
294.08939	0.4
295.06046	0.6
295.09323	0.5
296.06854	1.6
297.11340	1.0
299.09302	1.1
307.09830	1.3
308.06931	1.2
308.10556	1.4
309.07874	1.9
309.10852	0.6
310.08334	1.1
311.09241	0.9
312.06430	2.1
321.07797	0.8
322.08344	0.6
323.09225	2.9
324.06290	1.3
324.10043	2.0
325.10922	2.2
326.08066	0.6
326.11597	4.8
327.08765	6.7
338.11490	0.6
339.08643	9.5
339.12411	2.5
340.08899	1.2
341.13983	1.1
342.11078	5.2
343.11526	0.7
353.10352	0.6
354.10980	2.6
355.11737	0.7
357.08914	0.7
357.13434	19.6
358.13919	2.0
369.13437	22.9
370.13809	2.4
457.12741	0.8
461.15768	1.5
472.15170	1.0
487.17340	1.5
489.15601	0.5
490.16669	0.5
492.22983	0.5
492.72952	0.7
493.23059	0.9
505.18738	6.0
506.18735	0.9
517.18427	1.3
535.19739	35.8
536.20032	5.5
553.20782	1.0
580.45947	0.4
583.22656	2.5
583.30945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.0
60.01593	0.4
69.26292	1.0
69.26709	3.1
76.95317	0.4
78.95774	22.4
92.86838	0.5
138.32611	0.3
152.99510	3.4
168.04219	3.2
224.06871	8.5
231.45679	0.4
242.07930	2.0
250.07240	0.4
274.49908	0.4
283.26404	100.0
284.26767	9.3
306.43707	0.4
508.34045	62.2
509.34351	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	583.0879
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
50.22388	0.4
51.49591	0.4
51.67700	0.4
59.01255	0.8
63.02264	1.1
65.00194	6.2
83.01258	3.2
89.00240	0.6
93.03364	1.5
95.04887	0.4
96.58875	0.4
96.95875	4.0
98.19753	1.1
105.03355	0.6
107.01265	9.2
108.02061	1.4
109.02854	1.9
119.04940	0.9
121.02834	3.7
122.03627	5.1
123.04382	1.0
125.02319	1.4
130.08795	0.4
132.02058	1.0
133.02841	3.1
134.03595	0.6
135.04411	2.7
136.01556	2.9
136.62759	0.4
137.02322	0.9
139.05391	0.4
140.30190	0.4
142.50504	0.4
145.02908	0.7
147.04434	1.3
149.02336	9.7
150.03122	24.4
151.00262	20.9
151.03900	4.2
152.00710	0.6
161.02324	0.4
162.03105	0.6
163.03923	1.2
164.04697	1.3
165.01862	0.7
165.05470	26.0
166.02631	2.4
166.05751	0.4
167.03519	0.7
167.04898	0.5
168.00127	0.4
169.01262	0.4
169.02858	0.5
174.03192	0.9
175.03920	1.3
176.01044	0.4
177.01848	0.4
180.04227	1.5
181.04980	2.9
183.04420	0.8
189.05508	2.9
190.06285	1.5
191.05586	0.5
193.01335	3.7
195.04697	0.7
195.06552	15.0
197.02246	0.4
209.02342	0.9
211.03903	2.4
215.03406	0.6
221.05830	0.5
226.07115	0.4
235.03989	1.4
237.01949	0.9
237.05565	1.3
238.02620	0.9
239.03461	11.6
240.03854	0.9
241.01276	0.9
251.03397	0.7
253.05028	1.1
255.02869	1.2
256.03757	0.6
257.04431	2.1
261.05548	1.0
263.03525	2.2
265.01349	1.8
277.05133	1.3
279.03244	0.5
279.06598	1.4
280.03845	0.7
281.04535	3.4
283.02448	2.1
284.03079	0.9
293.04526	1.1
295.06030	1.6
296.03165	0.4
301.05164	0.7
303.03284	0.5
303.06619	1.0
305.04507	4.2
307.02396	3.1
308.03122	0.7
317.04468	0.9
319.06024	1.4
321.03870	1.1
323.05524	6.1
324.06049	0.6
329.04401	0.9
329.10400	1.0
331.06131	0.5
342.10834	0.6
345.04022	1.1
346.04678	0.9
347.05557	8.2
349.03433	4.5
356.12497	0.5
357.09598	0.6
357.13477	2.9
359.05634	0.9
361.03479	2.0
362.03922	0.5
365.06750	0.7
371.05435	0.5
373.03543	1.6
375.01596	0.6
387.14410	7.8
388.06000	0.8
389.02914	1.6
390.03766	3.1
391.04565	51.1
392.04871	4.0
399.00275	0.4
399.05414	0.5
405.06070	3.6
415.04443	4.0
416.05307	4.0
417.02179	5.5
418.03183	0.6
429.05981	0.8
431.07944	2.4
432.04477	0.9
433.05591	7.9
434.05972	1.0
447.07062	1.6
459.03418	2.5
465.92010	0.4
505.18781	1.0
517.18842	0.6
535.19684	13.7
568.06421	0.7
583.08752	100.0
584.09161	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32589	0.2
56.52516	0.2
59.01250	3.5
60.01596	0.5
61.01665	0.5
61.98698	100.0
62.98407	0.2
71.13280	0.3
71.13624	0.5
78.83371	0.2
78.95770	1.7
80.96209	0.3
82.95988	0.4
87.08615	0.2
94.08915	0.2
96.95894	0.3
113.06448	0.3
148.63972	0.2
152.99481	0.7
243.08250	0.3
250.00156	0.3
279.23251	6.9
280.23605	12.5
281.23911	8.0
282.24194	3.8
385.79318	0.3
427.21631	0.2
444.54260	0.2
504.31335	0.9
505.31415	0.9
506.31525	2.1
507.31763	5.1
508.32532	0.3
550.45538	0.2
581.29340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	33.7
60.08253	11.9
61.98694	43.9
64.22958	11.0
69.31345	96.7
71.01234	11.6
73.98147	10.6
78.95759	28.2
80.96394	21.3
82.95960	58.3
87.00750	16.2
88.98690	14.6
96.95871	28.3
152.99489	14.3
163.46159	9.8
351.05359	12.1
436.93646	12.0
457.57721	10.7
581.27185	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	582.2606
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
56.07225	0.2
59.01250	1.0
61.98699	0.5
67.81698	0.2
69.47116	1.5
71.01248	0.5
78.95778	0.3
85.02788	0.2
93.03335	1.1
96.95887	1.9
98.20535	0.2
101.02295	0.4
112.98694	0.3
113.02326	0.3
117.03339	3.7
118.15203	0.2
119.04910	100.0
120.05233	3.6
132.05687	0.3
134.03650	0.3
135.04439	0.2
145.02846	19.8
146.03194	0.8
153.39627	0.2
159.08014	0.3
163.03946	0.2
174.05437	0.2
201.13777	0.2
234.53844	0.2
271.10580	0.2
273.16104	1.1
290.18686	0.4
299.13971	2.4
316.16632	5.4
317.16879	0.3
318.86838	0.2
342.14551	14.1
343.14935	1.4
380.79367	0.2
419.19522	0.4
436.22452	2.5
437.22580	0.3
462.20309	33.2
463.20624	4.2
507.48926	0.2
582.26013	15.5
583.26337	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38593	0.2
55.81295	0.2
59.01255	5.3
60.01578	0.8
61.01677	0.7
61.98705	100.0
66.59132	0.2
70.88081	0.5
70.88445	0.2
71.01256	0.3
78.95777	6.2
78.96207	0.4
79.95616	0.3
80.96402	2.6
81.95197	0.3
82.95968	2.5
82.96775	0.3
94.98002	0.5
96.97568	0.4
100.70151	0.2
101.22779	0.2
122.97524	0.2
124.97025	0.2
152.99493	0.8
153.23778	0.2
155.13292	0.2
164.98506	0.3
166.98079	0.3
168.04248	0.6
192.81110	0.2
224.06955	0.7
225.00661	0.4
225.07132	0.5
226.07349	0.6
227.00339	0.7
242.07861	0.4
273.95627	0.2
279.23300	7.2
280.23636	12.8
281.23950	7.4
282.24194	4.3
301.03885	0.3
408.33005	0.3
504.30923	1.1
505.31372	2.1
506.31522	4.2
507.31827	11.8
508.32025	0.4
581.28577	7.4
582.28516	0.8
587.69781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03325	0.8
58.00463	0.6
59.01248	8.4
61.98687	0.4
63.52067	0.2
69.03330	0.7
71.01250	8.7
71.01653	0.4
72.99171	2.2
73.02815	3.2
75.00785	0.3
78.95768	0.9
81.03364	0.3
83.01252	2.0
85.02818	3.7
87.00731	1.7
89.02309	2.4
93.03329	1.8
95.01256	0.5
96.95887	5.8
97.02823	0.8
98.19820	0.7
98.95473	0.4
99.00757	2.1
99.04399	0.3
101.02325	4.1
111.00771	0.8
113.02343	1.8
113.09605	0.3
115.03882	0.5
117.03348	4.1
119.04911	100.0
121.02828	0.8
124.01550	0.5
124.03925	0.3
125.02342	0.9
127.11207	0.5
128.03381	0.3
129.01834	0.4
131.03375	0.6
133.02805	0.3
134.03607	0.5
135.04398	1.0
143.03360	0.5
143.10666	0.4
145.02847	19.6
151.00270	0.3
159.08047	0.5
178.02658	0.5
179.03395	0.5
191.01921	0.3
191.05534	2.8
193.05005	0.9
239.20169	0.3
241.21712	0.4
269.21085	0.8
273.16125	1.1
285.04044	0.6
285.21353	0.3
287.22256	14.9
288.22559	1.0
290.18851	0.3
297.04007	1.1
299.14047	2.5
301.23941	0.3
316.16611	5.3
329.23334	0.4
333.43829	0.3
342.14545	14.3
418.06802	1.1
419.07660	3.3
419.19867	0.4
420.08148	0.5
431.26498	3.2
432.26666	0.4
434.21066	0.4
436.22415	3.0
449.27545	17.4
450.27643	1.9
462.20306	35.9
537.26733	0.5
563.21796	0.6
563.30591	0.6
581.13129	3.3
581.31726	69.0
582.12518	0.7
582.25916	16.8
582.32892	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	581.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
58.94195	0.3
59.01246	46.8
60.01569	0.5
60.99187	0.4
61.98685	0.4
69.34183	2.8
71.01252	5.2
72.99190	0.4
73.02815	2.3
83.01250	0.8
85.02850	1.5
89.02314	6.0
93.03363	0.4
95.01271	0.5
95.04832	0.3
99.00763	1.6
99.04381	0.9
101.02328	2.8
113.02312	1.0
121.02840	0.7
122.03641	0.4
125.02351	1.1
131.03438	0.6
133.02876	1.0
134.03624	0.3
149.02354	3.3
149.04410	2.1
150.03128	6.2
164.04689	0.8
165.05476	4.7
165.12750	1.3
166.05905	0.3
167.10687	0.5
180.04156	0.4
181.08588	0.6
191.05548	0.5
193.53206	0.3
195.06529	2.1
207.13832	2.6
209.08078	0.5
209.11757	4.8
214.03058	0.3
225.14909	4.7
227.12823	25.9
228.13127	1.7
251.12820	1.3
269.13904	7.2
270.14258	0.6
287.14978	100.0
288.15317	8.3
295.06140	0.4
311.15125	0.6
325.12939	1.1
329.13101	0.5
329.16013	1.3
343.13870	0.5
395.02585	0.4
445.97464	0.3
473.18158	7.0
474.18781	0.9
491.19281	2.4
509.34760	0.3
521.21625	0.9
521.33661	0.9
533.20203	2.3
581.24377	6.9
582.24670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81216	1.9
59.01250	47.4
61.98691	6.2
71.01260	5.6
75.00773	2.8
78.95765	5.0
79.95617	3.6
85.02810	3.8
87.00802	2.2
93.03358	2.2
96.95889	100.0
101.02305	4.7
119.04881	6.4
129.67915	2.0
135.04393	2.6
161.00987	2.1
163.03896	4.2
168.98671	1.9
253.09203	3.5
291.19571	2.2
309.20691	7.6
317.21198	28.0
318.21619	2.3
581.27673	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	581.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25886	0.3
55.01752	0.6
57.03320	0.8
59.01250	23.2
60.01602	0.5
67.01782	0.3
68.01311	0.3
68.99707	0.4
69.03348	0.4
71.01252	7.4
71.58012	0.5
72.99185	1.1
73.02819	2.6
75.00752	0.6
78.95790	0.6
79.95605	0.4
81.03333	0.4
83.01264	2.2
84.01950	0.3
85.02820	5.8
85.99971	0.5
87.00755	1.7
89.02329	1.0
93.03329	4.2
95.01271	1.1
95.04879	0.4
96.95886	27.7
96.96870	1.2
98.02338	0.6
98.95470	0.4
99.00734	2.0
101.02313	4.8
108.02042	0.9
109.02888	0.4
111.00733	0.7
112.01548	0.7
113.02319	3.4
121.02840	7.3
122.03625	14.7
123.00751	0.5
123.04404	1.2
124.01566	0.7
125.02367	1.0
128.03452	0.9
128.90044	2.1
129.01862	0.5
129.02892	0.5
129.05464	0.8
132.02048	0.7
133.02838	5.3
134.03610	1.4
135.04399	1.4
136.01593	1.6
137.02296	0.9
139.00284	0.8
139.03857	0.3
141.01845	0.3
143.03291	0.3
145.02869	0.6
147.04391	0.9
149.02342	34.2
149.05984	1.5
150.03123	100.0
151.03436	4.0
152.00993	0.4
157.01344	0.5
161.04404	0.6
162.03107	0.5
163.03929	0.6
164.04678	7.0
164.05948	0.6
165.05476	97.9
166.05963	5.2
167.07019	0.7
175.03964	0.3
177.05473	0.5
179.05664	0.3
180.04169	6.5
181.08621	4.1
191.05586	0.7
195.06551	52.1
196.06940	2.6
255.02867	0.4
256.03235	0.5
271.02457	0.4
283.09537	0.5
284.02933	0.8
285.03403	0.6
286.04254	0.5
299.01877	0.7
314.11469	2.1
315.12036	0.8
316.02179	1.0
325.12891	11.5
326.13345	0.6
329.13931	4.6
330.14410	0.4
343.13965	5.1
344.14606	0.4
373.12805	0.9
385.15103	1.1
398.29910	0.4
417.48697	0.4
473.18137	39.2
474.18448	5.1
491.19211	20.2
491.29858	0.5
492.19522	3.1
521.20099	2.1
533.20239	19.6
534.20447	2.7
539.21490	2.6
540.21655	0.4
581.12494	1.8
581.22272	4.0
582.22717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01577	0.8
60.02468	0.4
69.53809	1.3
69.54225	1.8
69.78594	0.4
71.01249	1.5
71.79667	0.4
73.36292	0.4
83.01282	0.5
85.02835	0.6
86.61383	0.4
96.95885	1.6
98.20496	0.6
99.00746	2.1
101.02314	0.5
105.17091	0.4
109.02902	0.5
111.00801	0.7
121.02852	1.7
133.01321	0.7
135.04427	0.7
139.00304	0.9
145.02917	0.5
147.04428	1.0
157.01355	1.4
161.04562	0.4
175.03903	1.1
179.03432	0.7
190.06320	1.9
191.07054	0.8
193.04974	0.7
194.05835	0.5
205.08665	0.9
208.07507	0.9
231.14142	0.4
241.08560	0.5
243.39105	0.4
255.10196	0.5
269.08124	6.6
269.20651	0.4
271.09686	0.8
275.13016	0.9
281.08197	1.0
282.08743	0.5
283.09802	3.1
296.10422	0.6
297.11349	0.7
298.12115	0.7
299.09250	4.8
308.84918	0.5
311.09244	7.7
311.12817	0.6
312.09555	0.5
313.10754	0.5
314.11569	9.6
315.11945	1.0
319.12054	1.1
325.10779	1.2
326.11505	6.4
327.12003	0.4
329.13913	42.9
330.14218	3.7
337.12982	1.3
341.13898	23.6
342.14215	2.4
352.73398	0.5
359.15009	0.7
379.13791	0.5
389.16025	8.1
390.16675	0.9
407.85196	0.4
419.13367	0.8
461.86240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21840	0.3
58.00451	0.4
59.01252	13.9
59.76280	0.3
61.98692	0.5
64.57362	0.3
65.70061	0.3
71.01252	6.1
71.21774	0.7
71.22107	0.6
72.99167	0.5
73.02818	6.9
78.95773	0.6
79.95605	0.8
83.01250	2.0
83.04890	0.4
85.02822	1.1
86.09933	0.4
87.00751	100.0
88.01108	2.0
89.02354	0.9
96.95891	38.0
98.95498	0.4
101.02321	7.1
101.05343	0.7
101.05965	7.9
108.02052	0.4
112.98709	0.4
113.02313	2.1
116.92764	0.6
119.03384	0.7
123.04385	0.9
131.03365	0.7
133.02876	0.5
134.03607	0.7
138.03160	0.6
143.03395	0.8
149.04486	1.4
149.05960	0.7
150.03105	0.4
161.04454	2.6
162.03168	0.4
169.06508	5.3
171.08107	0.5
178.02637	0.6
179.03189	0.5
181.06485	0.7
187.07558	0.9
191.05499	1.2
193.04961	2.3
194.05385	0.9
195.08110	0.9
197.09692	2.3
213.09128	2.4
219.28831	0.4
221.06618	1.7
241.08670	3.3
339.05402	10.1
340.05585	1.2
391.14191	0.5
400.17505	0.4
419.15268	0.7
461.14450	0.5
479.15683	0.7
482.92258	0.5
483.78400	0.5
501.19241	1.8
508.47812	0.4
547.06329	0.5
581.14288	2.1
581.28168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.4
59.01247	13.6
61.98678	0.4
71.01252	6.1
73.02817	6.0
78.95773	0.6
79.95606	0.7
83.01259	1.8
85.02824	1.1
87.00746	100.0
88.01078	1.6
89.02324	1.2
93.03348	0.4
96.95882	36.0
98.19736	0.7
99.04377	0.4
99.92493	0.5
101.02312	5.5
101.05954	8.5
103.74160	0.3
107.63010	0.3
108.02038	0.4
113.02328	2.2
116.92702	0.4
119.03361	1.1
131.03429	0.4
134.03622	1.4
139.73808	0.3
143.03406	0.5
146.03551	0.4
149.04443	1.5
149.05939	0.8
161.04472	2.2
169.06500	5.8
178.02640	1.0
181.06483	0.5
187.07602	1.0
191.05490	1.1
193.04993	3.9
194.05344	1.0
195.08034	0.9
197.09656	2.5
203.05508	0.5
213.09120	1.7
215.10718	0.6
221.06569	2.1
229.70671	0.3
233.08147	0.5
235.67395	0.4
241.08649	3.5
242.09093	0.4
325.48676	0.4
339.05383	12.3
340.05746	1.3
391.14078	0.4
419.15482	0.6
461.14484	1.1
501.19217	2.0
502.19815	0.5
563.20819	0.6
581.13666	2.3
582.15070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43412	0.8
54.23984	0.8
57.74806	0.7
59.01244	5.5
64.32610	0.8
66.44418	0.7
70.28997	2.8
71.01247	2.3
73.02823	0.8
75.00705	0.7
85.02828	2.6
87.00732	1.2
88.98637	0.8
93.03339	7.6
96.95887	30.0
98.19899	0.9
98.92954	0.7
108.02010	1.0
109.02839	0.9
113.02336	1.1
118.87919	0.7
119.04923	5.8
119.05680	1.0
119.49461	0.8
121.02841	6.3
122.03616	14.4
131.80882	0.7
133.02847	2.5
134.03651	1.8
135.04424	3.0
136.01563	2.1
137.02377	0.7
141.66148	0.8
147.04442	1.9
149.02338	25.8
150.03130	100.0
151.03479	4.6
162.03093	1.2
164.04703	4.7
165.05481	97.5
166.05780	3.9
173.04536	1.3
175.03918	18.1
177.05508	2.7
180.04185	6.7
181.04919	1.2
188.04616	1.5
189.90019	0.9
190.06290	7.3
191.05527	9.3
195.06551	47.7
196.06892	1.8
218.05759	5.1
220.80142	0.7
222.05225	8.4
222.06892	0.7
229.17761	0.8
231.06726	1.0
234.06987	1.0
237.05620	1.0
238.06305	1.6
239.06944	0.9
239.93887	0.7
241.04964	1.1
242.68781	0.7
250.06302	1.1
253.05119	1.0
254.05821	1.1
265.04999	1.7
266.05804	4.9
267.02936	1.1
277.05222	0.9
278.05801	6.0
279.06546	2.0
279.28033	0.8
281.04626	3.2
281.08200	2.2
282.05331	2.0
293.04425	0.9
294.05420	1.8
294.08707	0.8
295.09769	2.3
297.07663	2.3
306.05270	5.5
307.06046	5.8
308.06500	1.1
309.04047	3.8
309.07681	3.1
310.04791	3.4
311.05707	0.8
320.06931	2.0
321.07666	16.1
322.04749	2.0
322.08377	5.4
323.05585	1.2
323.09229	6.8
324.06436	5.9
324.10022	3.5
325.07141	11.3
325.10681	0.9
326.07797	2.6
335.09290	1.8
336.09958	6.2
337.07159	11.9
337.10721	3.0
338.07608	1.7
339.05261	1.1
339.08765	12.3
339.12576	1.5
340.09406	9.7
341.10135	3.1
351.08856	1.6
352.09518	3.6
353.10233	2.4
354.11151	7.7
355.11853	27.1
356.12204	1.9
367.11832	40.8
368.12057	4.3
449.26144	0.7
462.20523	1.3
473.12354	2.1
488.14825	2.9
503.10629	1.3
503.17264	14.5
504.17920	2.1
515.16943	1.8
533.18176	24.2
534.18488	4.1
551.19293	13.6
552.19446	2.4
563.21130	2.3
581.20148	18.5
581.28967	1.1
582.20685	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	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39096	0.3
55.62360	0.4
59.01250	21.5
67.68111	0.4
69.64516	2.9
76.39434	0.4
78.95773	21.6
115.13282	0.4
118.66432	0.4
139.84454	0.3
152.99480	2.8
154.30687	0.4
163.11806	0.4
168.04195	3.3
168.46747	0.4
194.06050	0.5
224.06866	9.0
224.08896	0.7
242.07993	1.9
281.24835	100.0
282.25168	8.7
304.38153	0.4
308.02820	0.4
506.32480	63.7
507.32867	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.3
58.46960	0.2
59.01252	2.6
60.43043	0.3
60.65936	0.2
63.02299	0.3
65.00208	0.7
73.02825	0.7
78.95789	0.4
83.01250	1.5
85.02831	0.5
93.03317	0.3
96.95888	4.1
99.00768	0.2
101.02319	0.9
107.01273	1.3
113.02298	0.5
117.75001	0.2
121.02863	0.4
123.04366	0.4
125.02343	0.3
132.02074	0.6
133.02835	3.0
134.03627	6.5
135.04408	38.3
136.04712	1.3
137.02328	1.0
139.03922	0.4
139.11160	0.5
145.02965	0.3
149.02347	0.9
149.06001	2.3
150.03160	0.7
151.00262	3.8
159.04413	0.4
165.05531	0.3
175.03903	0.8
178.02629	4.6
179.03159	0.4
179.10692	0.3
182.03687	0.4
183.04407	1.0
183.10194	1.2
187.03929	0.4
191.05479	1.1
193.04980	13.5
194.05295	0.6
195.06580	2.4
197.06142	0.3
197.11722	0.3
199.03947	1.3
200.04506	0.4
201.01854	0.3
211.03925	0.6
215.03519	0.4
217.05038	0.5
225.11243	1.4
227.03482	2.0
239.03409	0.3
243.02817	0.3
243.12274	1.4
255.02953	69.4
256.03674	26.8
257.04016	1.4
267.02930	0.6
283.02454	100.0
284.03198	62.2
285.03992	64.6
286.04382	5.3
291.12338	0.3
297.09653	1.3
327.14679	0.3
371.15161	0.3
387.16623	1.4
419.07684	32.6
420.08051	4.2
445.08182	0.3
446.08502	2.1
447.09177	1.4
465.18942	0.3
581.12903	10.0
581.22229	2.7
582.13550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01600	0.9
61.98708	0.7
66.66608	0.4
71.01243	1.0
71.58380	0.7
73.02843	0.5
78.95784	2.3
85.02812	0.5
90.83091	0.4
96.95940	0.6
101.02357	0.5
112.98724	0.6
116.97179	0.6
133.52469	0.4
163.13715	0.5
297.20966	0.5
396.61823	0.5
601.87311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80224	0.3
59.01248	15.7
60.45527	0.3
61.98701	6.1
63.99113	0.6
69.32066	0.4
69.32468	3.1
78.95773	11.3
80.96381	1.5
86.00620	0.3
89.60825	0.4
96.95890	12.2
97.95808	0.5
98.95438	0.9
112.83701	0.3
115.91960	1.7
116.92721	1.3
147.43083	0.3
152.99500	3.1
168.04153	1.3
171.00551	0.8
178.80690	0.4
179.89120	2.2
180.89914	1.9
194.93594	0.5
196.89365	2.8
224.06908	1.0
224.51775	0.4
236.92618	1.4
242.07976	2.9
245.04202	0.3
245.79990	0.4
249.24030	0.3
255.23459	0.3
281.24841	100.0
282.25180	8.7
310.96463	0.4
343.01096	0.4
385.42804	0.3
482.26016	0.4
490.14560	0.4
506.32480	29.5
507.32794	3.6
563.17175	0.4
580.28735	2.0
581.18573	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.4
59.01249	1.1
63.96098	1.3
64.14269	0.4
69.03324	1.1
70.45053	1.4
71.01250	7.5
73.02811	1.6
77.14775	0.4
78.95762	1.8
78.98462	6.6
79.95605	10.0
80.96390	73.2
81.03342	0.9
81.51918	0.4
85.02845	2.8
87.00735	2.5
91.03915	0.5
94.97959	16.6
96.95891	8.6
97.02840	1.7
99.00753	0.7
99.12002	0.3
101.02307	2.6
106.66039	0.4
106.97945	2.8
113.02305	0.5
122.97464	5.1
125.02328	3.4
127.03909	1.1
134.97472	4.7
136.99051	2.0
148.51407	0.4
148.99043	6.3
152.98518	6.9
152.99594	0.5
164.64290	0.4
164.98541	13.6
165.98735	0.4
182.99638	1.7
194.93657	0.8
206.99605	2.5
225.00687	19.3
226.00974	0.6
243.01735	0.9
245.04236	0.7
250.96739	0.4
279.23264	2.7
299.04410	2.9
306.17224	0.4
343.01410	0.8
481.25439	0.5
523.36536	0.4
579.28406	100.0
580.28748	15.5
602.62329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03307	2.1
58.00464	2.3
59.01250	67.9
59.41375	0.7
60.01581	0.9
61.98698	1.9
65.46938	0.7
68.70363	0.7
69.03313	1.0
71.01251	35.9
71.11363	1.7
72.99175	3.1
73.02814	17.6
75.00748	1.3
78.95769	1.7
83.01266	6.9
85.02817	9.6
87.00753	4.4
87.92190	0.7
89.02316	16.3
95.01274	2.7
96.95876	4.0
97.02831	1.2
99.00742	2.3
101.02320	30.6
105.06973	0.9
105.42940	0.8
111.00793	1.9
113.02330	17.2
114.32599	0.8
119.03390	6.0
125.02333	2.2
131.03445	0.9
143.03386	1.9
149.04579	0.7
161.04443	2.1
179.05467	1.2
195.13828	14.6
196.14212	1.0
203.05571	1.0
213.14964	6.4
220.02057	0.8
237.14774	0.8
357.19193	9.4
375.20212	47.5
376.20465	4.9
399.20248	3.5
417.21268	100.0
418.21613	10.7
431.26398	2.2
447.26242	0.9
449.27628	1.9
463.28839	0.9
519.31464	0.9
527.62305	0.9
579.34296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
59.19972	0.4
62.95565	0.3
63.96099	1.7
69.03309	0.7
71.01250	9.5
71.08827	1.1
73.02807	1.9
75.25341	0.3
78.95766	1.1
78.98457	7.5
79.94888	0.4
79.95602	12.8
80.96386	80.2
81.03307	0.7
81.96352	0.5
83.01239	0.4
85.02820	3.3
87.00743	3.2
94.97958	17.6
95.01222	0.4
96.95885	12.2
96.96507	0.8
97.02828	1.5
99.00731	0.4
101.02303	2.5
106.97973	3.6
122.97469	3.7
125.02346	3.3
127.03897	0.9
134.97472	4.1
136.98993	1.9
146.97440	0.4
148.99039	6.4
152.98518	6.1
152.99628	0.7
164.98531	12.3
167.00175	0.5
179.00026	0.4
188.98528	0.4
194.93701	0.6
206.99615	2.2
225.00677	14.8
245.04129	0.4
279.23322	2.1
299.04321	3.4
326.08951	0.5
343.01111	1.1
481.25430	0.6
579.28394	100.0
580.28754	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	579.1358
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01250	2.2
59.28752	0.4
59.48818	0.3
63.02259	0.8
65.00214	0.6
65.08234	0.4
71.01247	1.2
71.58695	0.4
73.02804	0.6
83.01250	0.7
85.02824	0.6
85.64733	0.4
89.02280	0.6
96.95888	1.8
101.02332	0.9
107.01266	1.4
109.02806	0.7
113.02322	0.5
121.02839	1.0
133.02855	4.3
149.02345	2.0
150.03128	2.7
151.00293	2.9
151.03865	0.5
161.04433	0.6
165.05473	3.0
175.03897	1.8
177.01805	0.5
191.05452	0.4
195.06598	1.5
199.03943	1.5
201.01883	0.7
211.03993	0.5
213.05534	0.6
217.05006	0.8
227.03416	1.6
241.05104	0.6
243.02974	0.5
255.03003	2.1
256.03693	1.3
284.03281	16.1
285.04037	100.0
286.04419	8.3
297.04147	0.7
327.04807	0.6
327.12082	0.5
438.35962	0.5
447.09528	0.5
454.46265	0.4
579.13562	45.8
580.13824	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
57.83561	0.7
59.01252	8.5
59.83823	0.6
67.01770	0.7
69.03309	0.6
69.54900	0.6
71.01245	9.0
72.99197	1.3
73.02815	2.6
75.00760	0.6
78.95767	1.3
79.95606	1.3
81.39242	0.6
83.01275	0.9
85.02798	3.1
87.00750	1.0
89.02324	2.9
95.01260	1.5
95.46738	0.7
96.95879	15.4
98.95439	1.4
99.00739	1.1
101.02319	5.7
101.73309	0.6
108.02030	3.2
109.02831	3.9
112.98735	0.7
113.02315	2.9
121.02827	2.4
123.00769	3.2
123.04411	2.7
125.02329	1.5
125.22203	0.6
133.02795	0.8
135.04390	1.2
137.01364	1.3
137.02339	13.5
138.03123	1.3
139.03896	1.5
143.03357	0.9
147.04388	0.8
149.02353	2.0
150.03174	1.1
151.00266	22.9
151.03885	2.0
152.01070	1.1
152.04697	2.2
153.01834	0.8
159.04524	0.8
161.02269	0.9
161.04430	1.8
162.03079	2.0
163.03856	2.0
165.01823	1.3
166.02618	75.1
167.03387	4.6
175.03876	2.3
177.01805	4.4
177.05446	2.9
178.02614	2.3
179.03351	1.4
181.04974	90.2
182.05338	3.3
184.03700	1.3
190.02640	0.7
190.06319	1.0
191.03450	1.3
191.05417	1.0
192.04158	1.1
193.04951	3.6
194.05707	0.6
195.02960	1.1
205.04982	0.7
205.08575	0.9
207.06599	1.8
209.04480	0.7
219.17114	0.9
229.68823	0.8
271.05426	0.8
275.98135	0.8
285.04120	1.9
321.40549	0.7
337.03622	0.8
343.21274	1.7
355.04935	0.8
359.11182	2.1
387.05792	1.1
387.10770	18.8
388.11063	1.8
402.13129	8.1
417.15503	100.0
417.24786	3.4
418.15918	12.0
497.93063	0.8
549.19647	2.8
561.20190	0.8
579.20740	3.1
579.28839	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93517	0.3
52.45387	0.3
53.96098	0.3
56.60855	0.3
59.01249	22.6
60.01590	0.4
61.98687	0.4
63.96101	0.5
71.01245	1.2
71.21989	0.5
71.22316	0.3
78.59290	0.2
78.95773	22.9
78.98469	1.5
79.95598	2.4
80.96388	14.9
80.96785	0.2
85.02809	0.5
87.00768	0.5
87.04391	1.2
88.04733	0.3
94.97957	3.1
96.96839	0.4
101.02324	0.7
106.97949	0.5
122.97459	1.2
122.98308	0.4
125.02351	0.4
127.03835	0.3
128.06836	0.2
134.97452	1.1
134.98351	0.3
148.99049	1.2
152.98476	0.9
152.99486	3.2
164.97386	0.3
164.98546	2.8
168.04245	3.3
206.99603	0.7
224.06880	8.5
225.00694	3.4
225.07175	0.3
242.07927	2.3
269.73694	0.3
279.23273	100.0
280.23627	9.2
280.26740	0.5
299.04568	0.5
431.89520	0.3
476.71292	0.3
504.30948	59.9
505.24338	0.6
505.31314	8.3
578.27252	1.2
579.28412	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88987	0.2
58.17836	0.2
59.01249	15.7
69.31676	1.0
69.32108	1.0
71.01242	0.4
78.95776	6.0
79.95634	0.3
80.96399	2.2
94.97988	0.3
98.91561	0.2
98.95409	0.2
134.84177	0.2
135.11707	0.2
152.99500	1.0
164.98524	0.4
168.04227	1.4
178.37225	0.3
188.71051	0.2
224.06837	0.8
225.00485	0.4
242.07942	2.7
279.23270	100.0
280.23615	10.2
394.34378	0.2
504.30957	28.8
505.31317	3.8
512.40637	0.2
519.26910	0.2
578.27222	2.6
579.26886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.7
64.24165	0.4
69.49771	3.2
71.01242	3.0
72.99595	0.4
73.02807	0.5
85.02809	0.9
87.00731	0.8
89.02322	2.6
101.02325	2.7
113.02305	1.0
113.56487	0.4
119.03348	0.6
133.02858	0.5
161.04424	0.9
235.08173	1.3
253.09270	13.5
254.09503	0.6
256.24506	0.5
269.04581	1.0
281.24838	100.0
282.25183	9.4
577.15491	0.4
577.26428	0.7
577.35339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.4
62.34979	0.7
69.41465	5.8
71.01237	2.8
78.95775	1.6
85.02829	1.3
87.00787	0.8
89.02317	2.9
98.20579	1.5
101.02322	3.6
106.33411	0.6
113.02322	1.3
152.99474	1.2
161.04437	1.5
235.08197	1.6
253.09253	13.1
269.04553	1.2
281.24838	100.0
282.25165	10.2
282.78210	0.7
296.57965	0.6
463.33884	0.7
541.53992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89735	20.7
71.13662	17.4
71.58898	38.5
81.63789	20.1
81.95116	22.3
85.12607	21.6
102.66255	19.8
110.63055	22.0
123.04430	21.6
125.65671	18.8
140.64650	20.4
179.10732	52.8
197.11739	97.5
251.43199	19.8
279.23209	56.0
315.14505	53.6
341.92740	23.2
364.36185	20.3
577.37146	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49908	1.0
55.44150	1.0
59.01252	13.3
69.03326	1.2
69.76048	6.0
71.01255	5.4
73.02802	2.9
78.95795	1.4
83.01264	1.1
83.04835	1.2
85.02810	3.4
87.00757	1.1
89.02304	3.0
93.03317	2.4
96.95882	20.8
99.08009	3.2
101.02324	3.2
113.02309	1.7
127.11195	1.2
135.04439	1.7
145.02840	1.2
161.04602	1.1
171.10124	2.2
178.18059	1.0
183.13799	4.4
190.67143	1.0
190.70929	1.0
191.05553	6.0
191.14323	1.4
193.12144	3.2
209.11729	1.8
211.13324	25.3
212.13506	1.4
229.14401	16.7
235.13358	1.2
253.09293	1.8
293.21121	1.4
311.22095	2.9
313.91275	1.1
329.23312	100.0
330.23712	9.1
331.94019	1.0
341.23196	5.5
346.80594	1.0
353.23199	3.4
374.04941	1.0
388.51242	1.0
434.14355	1.2
533.29980	1.5
577.30963	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08754	0.5
56.64458	0.5
57.03289	0.5
59.01243	1.2
63.96099	2.0
66.69795	0.5
69.03338	1.3
69.37386	3.3
69.37809	1.1
71.01250	10.8
72.99179	0.6
73.02820	2.2
78.98457	8.8
79.95599	14.8
80.96386	100.0
83.01263	0.5
84.33227	0.4
85.02835	4.3
87.00743	4.0
94.97957	22.9
96.95888	1.6
97.02814	2.0
99.00739	1.0
101.02314	4.4
106.97956	4.7
122.97464	7.4
125.02335	3.1
127.03907	1.1
134.97473	6.9
135.50800	0.5
136.99026	1.8
146.97597	0.6
148.99030	7.8
152.98535	8.4
164.98534	18.2
179.00093	0.5
182.99606	2.0
188.98558	0.6
206.39816	0.5
206.99611	3.6
225.00679	20.9
243.01764	0.8
277.21722	2.6
299.04407	3.8
577.26819	82.0
578.27020	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01238	0.4
59.40520	0.4
63.96103	1.7
67.05762	0.4
67.94640	0.4
69.03313	0.9
70.63960	1.6
71.01250	8.8
73.02815	2.0
78.98462	7.2
79.95602	12.9
80.96387	85.2
81.03329	0.7
81.96322	0.6
85.02818	4.2
87.00758	3.8
93.97180	0.5
94.97959	19.1
96.95881	1.4
97.02838	1.7
98.63947	0.5
99.00738	0.8
101.02327	2.6
106.97955	3.9
112.78743	0.5
122.97459	5.2
125.02334	3.8
127.03868	0.5
134.97473	6.5
136.99049	1.7
148.99036	7.3
152.98532	6.8
164.98549	14.1
206.99619	2.1
225.00699	15.2
243.01930	0.7
277.21716	1.4
278.21799	0.6
299.04388	4.2
395.47403	0.5
557.13867	0.5
577.26837	100.0
578.27155	13.6
584.06952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	57.4
61.54868	3.1
70.86806	10.2
71.01251	44.8
72.12900	3.2
72.99176	4.2
73.02804	13.5
85.02821	5.0
89.02313	100.0
96.95889	17.1
98.20451	3.7
99.00743	25.3
101.02321	40.5
106.39893	3.3
113.02326	12.1
119.03284	3.7
131.03380	13.0
143.03369	5.3
149.03297	4.3
149.04451	72.2
161.04456	8.0
191.05498	13.8
221.06581	11.9
251.07713	7.9
293.08731	8.6
311.09918	13.1
349.68747	4.8
576.05267	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
63.96098	0.6
71.01252	6.7
73.02791	1.1
77.78635	0.4
78.98454	5.5
79.95603	11.2
80.96388	63.6
81.03299	0.7
85.02809	2.8
87.00761	2.3
94.97962	14.9
96.95919	1.0
97.02834	1.6
98.20647	1.0
101.02322	2.7
106.97971	3.1
122.97459	2.4
123.85815	0.4
125.02334	3.0
127.03870	0.8
129.11235	0.4
134.97466	4.3
136.99022	1.2
148.99037	6.0
152.98537	5.2
164.98538	11.4
167.00240	0.5
201.20262	0.4
206.99620	2.2
225.00700	12.7
226.01076	0.5
277.21735	1.7
299.04498	3.0
577.26843	100.0
578.27185	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	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30785	0.3
59.01252	1.5
59.26256	0.3
69.32111	3.3
71.01244	1.2
71.13869	0.3
73.02847	0.5
78.95787	0.6
83.01267	0.9
85.02840	0.4
89.02318	0.9
93.03346	0.7
96.95890	1.5
101.02340	0.5
107.01292	0.8
113.02372	0.4
117.03312	0.8
119.03445	0.4
121.29929	0.4
123.00800	0.4
132.04442	1.0
134.06013	0.5
143.04961	0.6
151.00230	0.9
151.03896	0.5
154.04155	1.0
155.04926	0.9
159.04413	1.0
161.02379	0.3
163.00316	0.7
165.01857	0.7
167.04947	0.4
169.06511	2.7
171.04402	1.0
173.02342	1.0
183.04411	2.3
185.02522	0.4
185.05989	2.2
187.03926	1.9
189.05428	1.8
191.05502	0.5
195.04601	0.4
197.05954	0.6
199.04030	0.5
211.03961	2.6
212.04468	0.3
213.05472	3.4
214.02676	1.3
215.03461	1.1
227.03452	6.2
229.04947	1.9
239.03424	0.9
241.04979	0.9
243.02931	1.5
255.02971	34.8
256.03522	2.9
256.77951	0.3
257.04565	3.2
281.52518	0.4
283.02478	73.3
284.03061	9.0
285.04037	100.0
286.04398	8.2
375.44888	0.4
430.09073	12.5
431.09802	52.4
432.10132	5.7
501.18604	0.4
545.17822	1.6
577.15601	27.7
578.15875	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61522	0.1
59.01247	1.7
63.02258	1.3
63.96105	0.2
65.00170	0.7
69.03337	0.3
70.53349	0.4
71.01248	1.1
72.50033	0.1
72.99176	0.4
73.02821	0.6
74.98980	0.1
75.00742	1.9
75.21387	0.1
75.45665	0.1
78.95763	0.1
83.01266	0.4
85.02817	0.3
87.00758	0.2
89.02315	1.5
93.03327	0.3
96.95891	1.8
99.00768	0.6
101.02322	0.9
105.03381	0.1
107.01278	1.2
107.64459	0.1
113.02329	0.4
115.03852	0.2
115.39525	0.1
117.03338	2.5
117.97141	0.1
121.02842	0.1
125.02327	0.3
125.82233	0.1
129.37172	0.1
131.03378	0.3
135.04417	0.3
135.98245	0.5
143.03384	0.2
149.02332	0.9
149.04376	0.6
151.00270	0.6
155.04898	0.2
159.04437	1.0
161.02336	0.7
161.04431	0.1
163.11134	0.2
169.06483	0.3
171.04283	0.1
180.05678	0.1
181.06462	0.3
181.12265	0.3
182.03683	0.1
183.04471	0.6
187.11183	0.2
191.05545	0.1
196.05067	0.3
197.05981	0.5
199.03906	0.2
201.05489	0.4
224.04715	0.2
225.05475	1.0
227.03502	0.4
240.04102	0.2
243.50485	0.1
255.03050	0.2
268.03754	2.8
269.04535	100.0
270.04871	7.8
271.02365	0.2
275.08005	0.2
293.08746	0.2
311.05576	0.4
397.09460	0.2
415.10327	0.2
442.54523	0.1
475.21756	0.2
499.22098	0.2
517.23065	0.6
577.15460	3.0
577.23285	0.2
578.15808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01800	0.4
59.01252	28.2
64.66122	0.4
70.89902	1.1
71.01244	1.9
75.18477	0.4
78.95776	26.3
78.98453	1.3
79.95592	2.1
80.96394	12.0
85.02802	0.5
87.00742	0.6
94.97967	2.7
96.96844	0.6
101.02369	0.4
106.97911	0.6
113.96088	0.4
122.97497	0.9
122.98386	1.0
125.02355	0.5
129.52220	0.4
134.97485	0.6
148.98996	1.2
152.98473	1.4
152.99478	3.5
164.98532	2.2
168.04202	4.1
206.99623	0.6
215.30275	0.4
224.06894	12.4
225.00638	3.1
225.07187	0.5
233.22650	1.0
242.07974	2.7
259.20685	0.6
277.21716	100.0
278.22049	9.0
299.04300	1.0
314.94897	0.4
502.29422	71.9
503.29745	9.7
518.09094	0.4
577.26831	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22821	0.2
59.01248	20.4
70.94080	0.4
71.01254	1.3
73.02813	0.3
73.11790	0.2
78.95776	7.4
78.98456	0.9
79.95584	1.2
80.59187	0.2
80.96391	10.2
85.02815	0.3
87.00739	0.5
94.97961	2.3
96.95844	0.2
101.02300	0.4
106.97952	0.5
122.97450	0.6
125.02328	0.5
127.07527	0.2
134.97461	0.6
136.99007	0.4
148.99075	1.1
152.98495	0.7
152.99580	1.3
164.98523	1.5
168.04228	1.7
182.99580	0.3
191.55913	0.2
206.99622	0.4
207.33499	0.2
224.06866	1.1
225.00693	1.9
242.07956	3.2
259.20639	0.3
275.20007	0.5
277.21698	100.0
278.22052	8.7
299.04318	0.3
425.16364	0.2
502.29379	30.3
503.29688	4.3
576.25580	3.1
577.26819	10.8
577.36157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22360	0.3
59.01243	1.5
61.98699	100.0
62.16497	0.3
69.41870	0.3
70.81543	0.4
70.81873	0.6
71.01255	0.4
113.02365	0.3
169.45445	0.3
200.09996	0.3
253.09439	0.5
254.09743	0.6
255.09822	0.6
260.97211	0.3
277.21689	2.9
278.22043	5.4
279.22269	2.9
280.22647	1.7
379.83554	0.3
455.75095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01123	0.3
59.01250	3.1
60.01594	0.4
61.01683	0.5
61.98705	100.0
71.01251	0.4
89.02345	0.4
94.64375	0.3
146.90681	0.3
166.50461	0.3
195.68628	0.3
229.64139	0.4
253.09299	0.6
254.09706	0.4
255.09830	1.2
269.04620	0.4
277.21729	5.0
278.22058	9.0
279.22388	5.5
280.22604	3.2
299.05118	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	575.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.5
57.03350	2.3
59.01253	21.5
61.98698	3.1
65.82166	2.9
69.39353	4.3
69.39756	16.1
71.01257	37.0
73.02824	14.5
78.95779	7.0
83.01262	3.9
85.02823	17.6
87.00787	4.1
89.02319	13.5
93.03329	6.7
95.01219	2.3
96.95892	13.1
99.00762	8.8
101.02321	21.3
113.02314	14.2
149.04420	2.9
152.78539	2.2
152.99495	2.9
161.04474	7.4
162.04976	2.5
173.04483	5.0
191.05577	5.5
285.04160	3.2
383.24481	6.3
482.83447	3.1
515.28650	100.0
516.28864	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	575.2532
Annotation	(+)-Isotrilobine
Peak:m/z	Relative Intensity
57.47072	0.4
59.01247	1.8
63.96108	1.9
66.75617	0.5
69.03328	0.8
70.66705	0.5
70.67072	1.5
71.01250	8.4
73.02806	1.5
78.98460	7.7
79.95605	13.3
80.96390	88.8
81.03326	1.2
85.02824	3.0
87.00754	3.6
89.14944	0.5
94.97955	21.4
96.95885	1.2
97.02838	1.6
98.20400	0.6
99.00738	0.8
101.02325	3.7
106.97960	3.3
113.02345	0.6
122.97454	6.7
125.02319	3.6
127.03886	0.9
128.10020	0.4
128.54382	0.5
134.97466	6.3
136.99080	1.4
146.97508	0.5
148.99055	6.6
152.98538	7.9
164.98537	13.2
182.99638	2.3
188.98470	0.5
206.99622	3.3
225.00690	17.1
226.01042	0.8
243.01831	1.6
275.20193	1.2
285.53543	0.5
299.04221	3.6
409.28024	0.5
468.14896	0.5
498.20862	0.5
498.67105	0.5
559.87213	0.5
575.25269	100.0
576.25592	14.2
581.52185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	7.3
61.87078	1.8
61.98667	2.5
62.94141	1.7
63.28764	2.0
64.44292	2.0
71.01241	8.8
71.59225	3.0
73.02819	2.9
78.95772	9.7
78.98446	4.8
79.95598	12.4
80.96384	83.2
85.02797	4.6
87.00755	4.6
94.97939	13.7
95.01219	1.7
96.95870	4.1
98.95491	2.7
99.92429	2.1
101.02326	2.9
106.97923	5.2
122.97440	2.6
125.02325	5.1
134.97455	7.1
148.99001	5.8
152.98492	4.5
152.99548	3.7
164.98540	13.8
206.99747	2.7
225.00670	14.3
277.21637	10.6
279.13412	2.1
367.91458	2.2
575.25317	100.0
576.25641	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	575.1802
Annotation	7-(1-Methyl-2-oxopropyl)streptonigrin
Peak:m/z	Relative Intensity
52.68276	0.3
58.00459	0.9
59.01249	17.9
60.83686	0.3
61.98703	0.7
65.39782	0.4
66.65014	0.3
68.99679	0.6
69.34849	3.4
71.01247	7.9
72.99188	1.3
73.02818	1.3
75.00737	0.4
78.28831	0.3
78.95762	2.1
79.95612	3.3
80.96398	0.7
83.01250	1.1
85.02824	3.2
87.00755	0.7
87.04391	36.4
88.04717	0.8
89.02317	4.5
95.01273	0.8
95.95100	2.2
96.95888	100.0
99.00763	0.5
99.04398	1.0
101.02319	6.2
101.05962	10.1
105.61800	0.3
109.06513	0.4
113.02331	3.9
119.03354	1.7
121.61457	0.3
129.05444	1.6
135.34279	0.4
141.05638	0.3
143.03448	0.3
152.99493	3.1
161.04498	0.6
210.46936	0.4
245.11798	1.2
271.06058	0.4
273.46667	0.3
325.07559	3.6
343.08624	0.8
413.97473	0.4
515.19513	0.4
575.18024	88.9
576.18365	12.4
576.28876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19508	0.5
57.78547	0.5
58.00467	0.7
59.01248	17.5
59.28421	0.6
61.98694	1.6
64.83205	0.6
71.01247	8.2
71.57461	1.1
72.99159	1.1
73.02811	1.1
75.00746	0.6
78.00368	0.5
78.95775	2.1
79.95604	4.2
80.96372	0.5
83.01257	1.0
83.04937	0.6
85.02823	2.6
87.00764	1.0
87.04385	36.5
89.02321	4.2
89.44883	0.6
95.01253	1.0
95.14577	0.6
95.95100	2.5
96.95885	100.0
99.04372	0.8
101.02310	5.6
101.05961	10.2
104.05049	0.6
106.95880	0.5
113.02299	3.4
119.03372	1.3
129.05440	1.8
135.04427	0.7
152.99490	1.9
245.11768	0.9
325.07419	3.9
371.24301	0.9
401.91345	0.6
487.12665	0.8
575.18005	89.8
576.18384	13.6
576.28137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49139	0.4
59.01228	0.6
62.96265	0.5
65.48965	0.4
78.95773	22.8
79.95601	2.5
91.30709	0.5
96.95885	100.0
98.20557	1.3
104.97453	0.5
115.25321	0.4
121.99982	0.9
136.93129	1.4
140.01080	1.4
144.00233	0.5
152.72572	0.4
152.99498	2.1
156.87917	0.4
177.89525	0.6
178.94193	3.4
196.03723	5.9
229.56265	0.5
279.23257	16.4
280.23718	2.4
294.00647	0.5
312.01721	1.8
361.10550	0.4
399.16321	1.0
457.17084	0.5
458.19611	0.5
476.27756	6.1
477.27914	0.8
514.22333	3.2
521.73627	0.5
574.24969	5.7
575.25049	1.2
575.89398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
60.01607	0.4
61.01665	0.2
61.98698	100.0
64.26222	0.2
66.31333	0.2
71.01240	0.4
71.58510	0.3
78.95774	0.3
78.98464	0.2
79.95592	0.4
80.96376	1.5
89.02321	0.5
94.22820	0.2
94.97971	0.3
101.02304	0.3
103.36082	0.2
105.16794	0.2
134.16316	0.2
145.99489	0.2
148.99094	0.2
158.31088	0.2
176.76074	0.2
185.41298	0.2
218.19225	0.2
253.09218	0.5
254.09657	0.7
255.09760	0.8
256.10019	0.3
261.59198	0.2
275.20126	2.7
276.20465	5.0
277.20795	3.0
278.21042	1.1
284.11221	0.2
575.25195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76072	0.5
57.28749	0.6
59.01250	100.0
60.01593	1.2
61.98701	1.5
69.03313	0.6
69.35113	3.2
69.35539	2.1
71.01248	14.0
72.99177	0.9
73.02814	8.6
75.00781	0.6
80.13147	0.5
83.01244	2.9
83.04903	0.8
85.02822	4.0
87.00761	2.4
88.99734	0.5
89.02303	7.7
89.02724	0.5
95.01286	0.8
96.95885	11.3
97.02850	0.8
99.00756	0.8
101.02309	11.3
102.98508	0.6
103.00270	0.9
112.98698	2.0
113.02328	9.4
119.03368	3.1
125.02390	1.2
131.03430	1.4
133.02872	0.8
135.04408	0.9
143.03421	1.6
145.28346	0.6
149.00845	1.1
149.04462	1.1
161.04453	4.3
163.03845	0.6
179.03416	0.7
179.05597	2.5
203.01765	0.6
223.13432	0.8
371.36536	0.6
453.24728	1.2
529.26703	2.2
573.28809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.49873	1.4
61.98703	7.7
69.93583	8.6
70.58615	1.4
71.01254	12.8
72.99191	2.0
73.02811	7.6
78.95769	3.2
83.01235	3.2
85.02806	3.8
89.02313	11.3
89.61017	1.4
96.95896	3.8
101.02303	8.3
112.79580	1.7
113.02312	11.4
119.03381	4.2
119.27829	1.4
152.99432	3.6
161.02209	1.6
161.04440	5.1
164.30762	1.4
179.05475	1.9
210.33560	1.5
217.00243	2.5
275.09302	1.9
304.96860	1.6
314.45441	2.1
409.02969	1.6
456.90665	2.0
469.31470	5.2
487.33014	4.4
513.26831	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	573.2915
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
56.77062	2.5
58.82339	3.0
59.01255	37.1
59.46063	2.8
59.94577	2.9
60.53640	2.3
61.98695	6.9
64.70958	2.4
71.01254	34.6
71.58074	2.3
71.58463	4.4
73.02824	13.6
78.95782	4.2
83.01267	3.8
85.02827	19.4
87.00767	4.3
89.02335	18.6
93.03415	2.3
96.95887	6.9
99.00765	12.4
101.02311	28.6
113.02343	13.9
125.02305	3.2
127.15821	2.5
131.03403	3.1
135.04451	2.8
149.04436	3.9
161.04500	6.9
191.05429	3.9
204.03984	2.6
212.23512	2.6
230.95882	2.7
233.06569	3.1
303.29718	2.6
331.17896	3.2
352.30896	2.8
354.66159	3.1
381.22943	12.9
513.26996	100.0
514.27368	11.7
590.07129	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	573.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14242	0.6
57.03311	1.1
58.00468	1.4
59.01249	11.5
62.34053	0.6
71.01247	14.0
72.99178	0.8
73.02806	5.5
75.00752	1.4
76.25211	0.7
83.01265	2.7
85.02811	6.1
87.00750	6.7
89.02340	2.8
93.03348	2.3
95.01280	1.3
95.04898	2.1
96.95889	4.1
97.02803	0.8
99.00746	2.5
101.02316	10.3
103.00253	2.8
106.04102	7.9
107.04912	10.0
108.02046	2.7
109.02886	0.9
113.02323	5.4
119.04935	2.6
120.99495	1.2
121.02834	1.6
123.04405	31.9
124.04755	1.1
125.02320	1.5
131.03394	5.6
131.04922	1.7
132.02045	1.7
133.02843	59.2
134.03201	2.6
135.04433	1.5
145.06567	0.7
147.04425	4.4
149.02361	0.9
151.03909	23.6
154.50772	0.8
159.02870	0.7
161.04463	8.0
161.05986	2.5
163.03819	1.0
165.05478	20.3
166.05811	1.0
172.05264	1.4
173.09621	8.7
175.03918	41.5
176.04298	2.8
179.03317	0.7
179.96785	0.8
181.06450	1.2
193.04984	26.3
193.06779	1.3
194.05383	1.7
197.09645	61.2
198.09966	3.5
205.05026	3.7
215.10721	4.8
216.11012	0.8
219.96756	0.7
221.06578	10.5
223.06058	3.9
241.08690	3.8
253.07033	5.2
265.05447	3.7
289.17966	0.9
311.17505	0.7
312.08554	1.2
319.82968	0.8
353.42102	0.7
355.10239	2.9
355.14297	0.7
399.09271	100.0
400.09637	9.3
529.07654	1.2
529.26941	3.2
555.18823	1.4
573.19684	37.6
574.20038	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	571.348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67874	0.3
55.01752	0.9
56.39916	0.3
57.03319	1.1
58.00469	2.5
59.01246	40.0
60.01577	0.8
65.18705	0.3
69.17172	0.3
71.01246	28.6
71.59182	0.4
72.01588	0.4
72.99168	2.9
73.02822	1.6
78.95771	5.0
83.01251	2.1
85.02814	7.2
87.00756	0.9
89.02310	19.4
90.78912	0.3
95.01246	2.3
96.95879	12.5
99.00769	0.6
101.02315	15.9
113.02332	8.7
119.03375	5.2
123.77878	0.3
137.85526	0.3
140.01114	0.3
143.03333	0.5
152.99495	0.5
171.38495	0.3
177.12758	0.3
178.94206	0.8
183.13820	3.3
195.13812	16.8
196.03725	1.3
196.14247	0.8
213.14896	19.9
214.15237	1.0
217.00363	0.5
217.39735	0.2
232.97499	0.3
277.21655	3.2
284.61374	0.3
312.01590	0.4
322.39108	0.4
357.19159	0.9
375.20184	15.3
375.61758	0.3
376.20572	1.3
377.25314	0.3
391.28296	0.4
471.47336	0.3
474.26169	1.1
512.20929	0.4
553.33655	1.0
571.34802	100.0
572.23560	1.1
572.35138	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	571.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
58.00465	0.3
58.02138	0.1
59.01244	3.2
69.35545	0.2
70.34460	0.5
71.01249	5.5
72.99180	0.3
73.02815	0.7
75.00735	1.3
78.59644	0.2
83.01256	0.3
85.02823	2.1
89.02319	1.8
95.01266	1.0
96.95876	0.5
97.02794	0.2
101.02309	1.6
104.70850	0.2
105.24145	0.1
107.02484	0.2
113.02327	4.9
119.03403	0.2
129.01836	0.3
143.03339	0.2
147.02844	0.5
161.04443	0.7
165.12808	0.3
177.12726	0.5
183.13817	17.3
184.14099	0.9
195.13828	24.1
196.14145	1.4
207.13863	0.2
211.13354	0.6
213.14886	100.0
214.15239	6.2
221.15390	0.3
227.16551	0.4
237.14873	0.5
249.14896	0.5
255.15916	0.2
267.15881	0.4
268.67047	0.2
285.17014	0.2
375.20099	0.3
386.81741	0.2
391.28378	0.3
409.29553	34.3
410.29919	4.6
410.35486	0.3
433.29480	0.4
441.55234	0.2
445.29526	0.4
451.30914	0.9
463.30630	2.2
464.31064	0.4
472.48279	0.2
481.31580	0.5
571.35083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
55.23656	0.2
59.01250	100.0
60.01593	1.1
61.98682	0.3
69.03313	0.2
69.38367	0.3
69.38773	1.8
71.01253	2.2
72.99181	1.3
73.02808	1.1
78.95773	0.2
83.01274	0.6
83.04933	0.2
85.02839	0.6
87.00749	1.3
88.10160	0.3
89.02305	1.2
96.95882	2.5
99.00736	0.3
101.02312	1.8
112.98698	1.6
113.02318	1.3
119.03391	0.5
119.04908	1.3
121.02840	0.2
123.04436	0.3
125.20129	0.2
130.99759	0.2
134.03685	0.5
135.04449	0.5
137.02400	0.6
143.03395	0.3
145.02837	0.4
149.00832	0.9
149.02548	0.2
151.03912	0.4
161.02361	0.2
161.04483	0.5
163.03925	1.5
165.05502	0.3
175.03955	0.2
175.07487	0.3
187.07552	0.4
201.05519	0.4
203.03461	0.6
218.09280	0.2
229.08682	0.3
231.10225	0.3
247.09761	0.3
277.03543	1.1
389.16101	0.5
407.17111	0.5
439.20053	0.4
451.23688	0.2
511.29181	0.8
571.31836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28678	0.1
52.70217	0.1
57.03334	0.2
58.00473	0.3
59.01250	2.2
70.61071	0.6
71.01252	3.7
73.02811	1.2
74.34192	0.1
75.00745	0.6
76.54590	0.1
83.01250	0.3
85.02818	0.6
89.02306	0.6
97.02849	0.3
101.02316	1.2
111.00746	0.2
111.08066	0.2
113.02345	1.0
121.23125	0.2
125.02353	0.3
125.06043	0.1
139.07472	0.3
165.12741	0.2
167.14336	0.7
175.29585	0.2
179.14363	0.4
183.13828	12.4
184.14166	0.7
189.27310	0.2
191.14308	0.5
193.15906	0.5
195.13840	12.0
196.14160	1.0
197.15431	0.7
209.15376	0.9
211.13338	0.4
213.14900	100.0
214.15242	5.8
219.13573	0.2
223.16948	0.7
225.14951	0.2
227.16470	1.9
237.14915	1.4
249.14900	1.0
250.15334	0.2
255.15993	1.7
267.16025	1.8
285.17108	0.6
309.10272	0.2
309.17261	0.3
375.20270	0.5
407.17563	0.2
409.29663	0.8
571.25800	0.3
571.34821	2.1
572.35712	0.3
598.61847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97946	0.3
59.01250	100.0
60.01586	1.0
61.98709	1.4
68.29487	0.4
71.01264	2.0
71.59062	0.5
72.99174	1.4
73.02837	0.9
83.97461	0.4
85.02795	0.6
87.00754	2.8
89.02322	0.6
90.02670	0.4
93.03329	0.3
96.95861	2.9
99.00776	0.6
101.02338	1.7
103.00237	0.5
112.98690	4.1
113.02337	1.0
116.92773	0.7
117.03360	0.6
119.04917	5.2
120.05261	0.5
121.02859	0.7
130.99710	0.4
133.02946	0.9
134.03647	1.2
135.04408	1.9
137.02438	0.6
137.09665	0.7
145.02879	1.0
147.04449	0.9
149.00793	3.1
155.18053	0.4
161.02293	0.5
163.03920	4.5
175.04021	1.1
177.01907	0.5
178.02663	1.1
179.03419	1.2
180.03796	0.5
203.03470	2.9
214.06342	0.6
215.03322	0.4
217.00310	0.5
259.02423	0.4
275.09369	0.7
277.03543	2.5
289.18158	1.3
307.19305	1.2
342.06494	0.6
389.16156	0.6
469.28537	0.4
470.27792	0.4
473.73190	0.4
511.29614	1.0
571.30945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86779	0.5
59.01247	24.4
69.48277	4.1
71.01252	4.7
73.02799	1.4
73.61053	0.5
78.95788	0.6
80.96375	1.0
83.01260	0.7
85.02820	1.8
87.00679	0.4
89.02312	4.3
92.35298	0.4
96.95876	0.8
101.02311	3.8
107.53941	0.5
113.02312	2.1
114.66885	0.4
119.03361	1.2
125.02289	0.6
133.04947	1.1
135.36584	0.5
143.03387	0.8
154.64133	0.4
161.04466	1.8
177.16397	0.7
179.05551	0.7
213.14975	0.4
217.00232	0.6
231.21121	3.3
231.62904	0.5
232.21515	0.5
235.08195	1.0
253.09258	21.6
257.18887	0.6
266.31622	0.5
271.22736	1.0
272.23126	0.8
275.20139	100.0
276.20483	8.4
322.10263	0.7
407.14938	0.8
571.27930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
59.01250	42.1
64.13624	0.7
68.77768	0.5
71.01259	6.7
71.29995	1.4
72.99187	1.2
73.02810	8.4
83.01254	11.0
85.02814	1.0
87.00772	1.1
89.02316	1.9
90.39981	0.5
93.03342	13.0
94.03696	0.7
96.95891	5.1
97.02825	0.9
97.06461	1.1
99.00759	1.2
99.04373	0.9
101.02309	6.5
109.02821	3.5
112.98695	1.5
113.02306	2.0
113.07555	0.6
115.00230	0.7
117.54716	0.6
119.04878	1.3
121.02840	51.0
122.03141	1.1
123.04408	16.0
125.02316	1.0
131.03371	0.9
135.04422	1.0
137.02289	1.9
138.03130	1.2
139.03905	100.0
140.04218	3.3
143.03418	0.9
149.00810	1.6
151.83936	0.6
160.65273	0.6
163.03903	1.7
165.12711	0.8
167.10658	1.5
181.04933	1.7
203.03581	0.8
207.13864	2.0
209.11806	3.7
225.14888	3.7
227.12837	17.2
233.11829	1.2
236.82689	0.7
251.12807	1.3
267.08838	0.8
269.13885	5.1
277.03400	0.8
278.23889	0.7
283.08340	1.0
285.09830	0.8
287.14957	11.5
301.09280	2.4
311.15103	1.5
329.16229	1.6
343.10373	2.4
371.17053	1.6
407.17007	1.4
431.19180	6.9
432.19824	0.8
485.13727	0.8
535.21790	1.4
541.22516	1.2
553.22894	29.4
554.23059	3.0
571.23944	26.1
572.24286	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	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01234	0.5
70.01720	1.0
70.02131	2.1
78.95771	75.8
87.00732	0.6
90.93215	0.7
94.03432	0.5
96.95893	1.0
96.96832	18.8
98.19846	0.7
150.97899	0.6
152.99480	70.1
171.00536	1.1
186.86441	3.1
208.92984	1.3
223.00122	1.8
241.01143	36.3
242.01472	1.2
242.89101	5.1
255.23254	84.2
256.23615	6.5
259.02185	0.7
260.90210	1.2
298.96155	1.5
304.86661	0.6
315.04861	11.0
316.05142	0.7
334.93851	4.7
391.22461	6.1
392.22849	0.7
409.65842	0.6
571.28857	100.0
572.15692	0.8
572.29150	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	569.3001
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01247	1.0
63.96110	1.4
70.24885	0.6
71.01248	7.9
73.02814	1.6
78.98470	6.0
79.95606	9.6
80.96391	72.7
85.02814	3.6
87.00737	1.5
94.97964	16.8
96.95885	0.8
97.02835	1.5
97.33841	0.7
98.03619	0.6
99.00780	0.9
101.02314	2.5
106.97953	3.7
113.02294	0.7
122.97449	2.9
125.02312	3.1
127.03973	0.7
134.97478	5.2
136.99022	2.1
148.99040	5.7
152.98546	6.9
164.98544	14.2
206.99625	2.9
223.20599	0.8
225.00710	16.1
225.22212	3.0
226.22481	1.2
229.83229	0.8
269.24863	2.8
270.25186	0.8
271.22754	2.7
299.04446	3.7
314.27045	0.7
326.26947	1.2
566.28320	0.7
568.49323	4.2
569.29993	100.0
570.30359	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	569.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00447	0.4
59.01259	1.1
61.98679	0.5
62.08604	0.5
68.38663	0.5
70.34543	2.1
78.95772	81.3
84.89222	0.5
89.03776	0.5
96.95911	0.8
96.96833	18.1
134.98380	0.8
141.66710	0.5
150.97931	0.9
152.99486	70.8
153.99860	1.0
159.54367	0.5
171.00554	1.1
186.81331	0.6
193.87390	0.5
200.49091	0.4
204.36023	0.5
223.00064	2.5
241.01154	37.6
242.01480	1.2
253.21706	83.3
254.22078	7.0
259.02264	1.1
264.35989	0.5
315.04892	12.0
389.21008	7.8
390.21414	1.0
400.09198	0.5
407.21811	0.8
424.23553	0.5
447.44595	0.6
569.27295	100.0
570.27612	14.2
586.01324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65696	0.1
57.03327	0.2
59.01250	8.3
61.98705	0.2
69.03308	0.2
70.71233	0.1
71.01252	1.0
71.58466	0.2
72.99186	0.3
73.02824	1.0
78.95762	0.2
79.95610	0.2
80.81925	0.2
80.96381	0.3
81.03329	0.3
83.01259	1.5
84.99211	0.2
85.02816	0.3
87.00751	5.4
89.02290	0.3
91.01806	0.2
93.03325	0.3
96.95892	2.4
97.02858	0.2
99.04410	0.2
101.02326	1.1
101.05975	0.4
103.00227	1.1
107.04894	0.2
108.02017	0.7
109.02852	0.8
111.00772	0.2
112.98685	3.7
113.02316	0.5
115.62184	0.1
120.36154	0.1
121.02823	0.2
125.02323	0.3
130.99762	1.2
133.02866	0.6
134.03632	1.0
135.04422	3.7
136.01552	1.9
137.02339	100.0
138.02669	3.2
139.00261	0.2
143.03441	0.2
149.00870	0.8
149.02158	0.1
151.03914	0.2
161.02347	0.8
161.04422	0.2
162.03087	0.2
163.03926	0.4
167.10675	0.3
171.10175	0.2
177.01846	0.3
179.03415	2.7
191.03342	0.3
207.13698	0.2
209.11780	0.6
219.02892	0.9
219.66771	0.1
219.68896	0.1
225.05513	0.2
225.14944	0.2
227.12859	2.1
231.10240	0.7
251.12733	0.2
253.05002	0.2
267.06601	0.3
268.07327	0.2
269.14001	0.8
273.17068	0.4
275.09274	1.7
280.03702	0.2
281.06696	0.6
287.14993	2.3
293.02890	0.8
295.06134	0.5
296.06842	0.2
299.07773	1.4
311.15027	0.3
325.12628	0.2
329.16016	0.4
339.05145	0.3
340.05801	0.8
341.08807	1.8
353.16187	0.2
371.17166	0.4
393.13248	0.4
407.09918	0.5
431.19217	2.5
432.19540	0.3
437.12408	1.5
438.12463	0.2
455.13315	0.4
483.13538	0.2
509.19962	0.9
551.21155	0.6
569.22302	13.9
570.22687	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56903	0.2
56.30502	0.2
59.01248	3.2
63.70751	0.2
69.54556	0.4
69.54964	1.0
71.01247	1.0
73.02821	0.4
78.95768	0.7
79.95605	2.4
83.68180	0.2
84.22452	0.2
85.02826	0.4
87.00747	0.4
89.02307	0.4
90.66610	0.2
96.95891	100.0
97.89764	0.2
97.95814	0.4
98.95510	0.3
101.02317	0.7
113.02355	0.4
128.03481	0.3
135.04410	0.3
138.06793	0.3
151.07628	0.3
152.08308	0.6
153.09134	1.8
191.05537	0.3
205.12282	0.9
223.13362	0.7
253.04686	0.2
367.17679	0.6
427.19229	0.9
428.20139	0.2
483.15338	1.2
484.15228	0.3
569.28229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10544	0.4
57.03324	0.6
59.01248	27.8
59.04305	0.4
71.01245	3.5
71.58780	0.4
72.99179	0.6
73.02816	7.9
73.18542	0.4
79.95612	0.6
82.15072	0.4
83.01256	9.5
85.02832	0.5
87.00759	1.6
88.00249	0.4
88.98702	0.5
93.03330	88.4
94.03658	2.3
96.95879	11.8
97.06448	1.0
98.95493	0.9
99.04379	0.7
101.02322	5.3
109.06414	0.6
111.04416	0.5
112.98679	1.2
113.02320	1.1
125.02313	0.7
135.04430	0.9
135.28011	0.4
137.02336	100.0
138.02686	3.2
145.04968	0.7
145.06068	0.9
145.08548	0.8
145.97333	0.5
149.00743	0.9
151.66876	0.4
163.03876	0.6
165.12874	0.5
167.10628	2.1
179.03333	1.0
200.51711	0.4
207.13820	1.1
209.11748	2.1
225.14978	2.7
227.12830	15.6
228.13104	0.8
233.11751	1.1
251.12764	1.4
259.38220	0.5
269.13901	4.7
281.06729	0.6
287.14963	10.2
293.13422	0.5
311.14966	1.0
329.15973	0.9
371.16879	1.5
389.58209	0.5
427.52615	0.5
431.19257	7.2
432.19324	0.8
437.12399	0.8
460.75256	0.5
460.81555	0.5
547.10297	0.5
551.21216	1.0
569.22192	22.2
570.22461	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	568.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52129	0.6
53.02441	0.6
54.33378	0.5
56.29904	0.6
59.01252	21.2
60.92299	0.5
75.00722	1.1
78.95781	23.5
96.95892	11.7
98.95473	0.7
152.99467	3.9
168.04221	3.0
169.17325	0.7
224.06912	8.7
242.07932	1.9
255.23285	2.3
269.24857	100.0
270.25204	9.4
279.23483	0.7
330.52847	0.7
494.32526	58.7
495.32840	10.0
560.10895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67730	0.2
59.00988	0.3
59.01255	5.4
61.98675	0.3
62.72497	0.2
69.03336	0.2
71.01251	1.8
71.06841	0.6
72.99173	0.9
73.02824	1.4
75.00742	0.4
78.95768	2.4
79.95610	2.4
83.01222	0.3
87.00748	2.3
89.02319	0.4
93.03315	0.8
94.78322	0.3
94.88142	0.2
96.95886	100.0
96.96885	2.9
97.95840	0.4
101.02319	1.7
103.00246	0.4
109.02705	0.3
111.00822	0.2
112.98678	1.1
113.02316	0.8
114.93256	0.4
130.99773	0.4
135.04402	0.9
137.02327	1.2
149.00839	2.0
149.06041	0.3
153.01837	0.3
161.04453	0.4
163.03911	0.3
173.79279	0.2
174.01627	0.2
179.03381	1.3
187.07576	0.4
194.82666	0.3
205.12247	1.2
219.02989	0.5
223.13521	0.3
231.10187	0.3
253.04463	0.4
275.09293	0.8
279.53558	0.2
293.03088	0.5
437.12482	1.0
448.16022	0.3
483.15393	1.2
543.04706	0.3
569.22339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	13.7
59.01245	2.9
61.98684	1.1
66.03349	1.4
69.55755	4.9
69.56171	1.3
70.02839	1.1
70.60868	0.8
72.00771	1.4
74.02348	27.9
79.95604	1.0
81.04474	1.2
82.02858	3.0
84.04416	1.3
86.02350	9.9
86.05989	1.4
86.99006	1.7
87.05510	5.3
88.03928	0.9
90.00072	1.5
96.95895	19.7
97.03953	2.6
99.05522	22.1
100.03928	1.1
101.07082	3.4
102.05491	3.9
106.92698	0.9
107.06018	1.6
109.03978	2.9
109.07578	1.6
111.05524	1.8
112.03943	3.5
116.01632	1.2
123.05503	2.6
125.03469	3.0
127.05034	3.0
128.03435	60.7
129.03770	1.1
135.04616	1.2
135.05524	6.2
137.07077	1.6
141.06654	4.4
143.04526	80.7
144.04863	2.4
145.06064	3.9
146.04507	8.4
149.07097	1.1
153.06627	4.3
155.08134	1.3
160.00670	14.5
166.09781	3.4
167.04530	5.3
167.08176	3.7
170.03271	0.9
171.03976	1.5
171.07666	1.0
177.03342	6.2
179.04559	18.8
180.04924	1.3
181.06119	2.6
184.10828	1.6
185.05585	2.5
192.07681	1.3
197.05557	3.1
198.08861	0.9
210.08789	18.4
217.12193	2.1
228.09920	1.9
236.06879	1.0
242.07793	1.3
254.07797	35.6
255.08096	1.4
272.08881	50.5
273.09201	2.1
288.06552	10.9
295.10120	3.0
306.07654	100.0
307.07983	6.4
396.79010	0.7
439.15482	1.8
463.92355	0.8
524.21063	1.3
550.18500	7.0
551.18756	0.9
568.19672	71.9
569.20093	10.3
574.33588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07482	2.0
57.03312	3.5
59.01251	100.0
61.98711	15.5
63.95300	2.2
67.94101	2.7
69.93231	8.9
71.01256	35.5
72.99185	4.6
73.02814	9.8
78.95782	16.2
82.69808	2.2
83.04874	3.5
85.02802	13.7
87.00774	6.8
89.02326	8.6
93.03339	2.3
96.57182	2.5
96.95871	15.9
99.00746	5.3
99.04387	3.1
101.02327	27.8
111.46417	2.4
112.98691	14.5
113.02329	15.6
116.97063	3.7
119.03410	4.0
127.11245	3.0
129.12830	2.6
133.02844	7.2
135.04407	9.5
137.02315	3.2
159.02948	5.0
161.04460	11.6
175.03955	3.5
177.01825	4.5
179.03462	4.7
345.30026	8.4
405.26334	6.1
408.04297	2.8
499.41934	2.9
507.35190	72.3
508.35809	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	567.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.8
57.03306	3.2
58.00468	1.6
59.01248	63.3
64.17489	0.7
66.91872	0.7
69.03322	2.1
69.52011	3.0
69.52439	2.4
71.01249	29.1
72.99179	6.2
73.02816	14.3
73.64216	0.8
75.00723	1.4
76.69161	0.8
78.95778	1.6
79.95589	2.4
80.71224	0.7
83.01250	6.4
85.02819	12.2
85.99951	1.2
87.00731	4.4
87.04413	0.8
89.02298	8.6
93.03316	1.5
95.01260	2.1
96.95882	38.6
96.96802	1.5
97.02811	2.4
98.20570	1.3
98.95449	0.8
99.00745	5.9
99.04389	1.0
101.02316	21.0
108.02032	1.2
109.02838	0.8
111.00751	2.0
112.98667	2.2
113.02313	9.1
115.03902	1.5
118.51447	0.9
124.01550	0.9
125.02385	3.7
130.80986	0.7
131.03369	2.9
133.02820	1.6
135.03395	1.2
135.04395	18.2
136.01501	1.2
137.02324	0.9
149.02342	1.3
150.03212	0.9
151.03918	1.2
152.99426	0.9
159.02890	0.9
161.04408	1.9
167.14410	1.1
177.01817	1.1
179.03415	8.3
183.10146	0.9
191.05562	2.6
193.05058	0.8
213.14886	12.6
214.15211	1.0
231.15903	3.1
329.10208	4.3
355.04849	0.8
357.19162	4.5
375.20190	68.8
376.20520	7.4
393.21140	1.7
475.92023	0.8
501.15384	0.8
507.24420	89.0
508.24734	10.2
523.21918	2.1
525.25452	1.8
567.26538	100.0
568.26843	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	567.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00981	0.9
59.01249	10.3
61.98690	1.1
67.45137	0.5
70.93797	0.8
70.94138	1.3
71.01231	1.9
71.23621	0.6
73.02802	0.6
78.95780	1.1
79.95607	1.2
87.00751	0.9
88.35594	0.5
89.02290	0.7
93.03307	0.8
95.01325	0.7
95.04884	1.1
96.95882	21.7
101.02287	1.0
104.34750	0.6
105.03300	0.6
109.02858	1.0
112.98730	1.4
119.04899	0.7
121.02836	7.1
123.04369	1.0
133.02795	1.5
134.03601	0.8
135.04420	1.8
137.02348	1.0
141.01595	1.3
145.02846	0.8
146.03514	0.7
147.04407	1.8
149.02341	47.2
150.02879	2.7
151.03993	0.9
159.04466	1.5
161.02368	0.6
162.03131	1.0
163.03896	0.9
164.04707	9.9
165.05334	0.9
175.03876	2.9
176.04727	1.3
177.05498	5.9
177.06917	0.9
178.05962	0.7
179.03423	1.3
179.06946	0.7
189.05534	0.9
190.06238	1.2
191.05507	1.3
192.07846	1.2
204.04172	0.8
219.06586	2.6
222.05237	1.4
224.06786	2.7
235.07603	1.2
236.08499	0.6
237.09183	1.4
239.07016	1.0
241.08629	1.4
247.07544	0.7
249.09193	1.3
251.07048	1.4
261.05478	0.8
263.07037	1.6
264.07825	0.9
265.08633	2.8
266.09259	1.4
267.06573	2.2
267.10178	2.4
269.08145	2.7
270.50293	0.6
276.07877	0.8
277.05957	0.9
277.08716	4.9
278.06018	0.7
278.09290	1.8
279.06656	2.1
279.10104	1.3
280.07373	1.8
281.08191	4.0
281.11243	0.6
282.08768	1.1
283.09781	1.3
291.06583	1.3
291.94006	0.6
292.07526	1.2
293.08276	1.8
293.11490	0.7
294.09045	3.4
295.06354	0.8
295.09668	11.2
296.06882	1.3
296.10364	2.9
297.07727	7.1
297.10892	1.0
298.08264	2.2
307.09741	1.3
308.10257	0.8
309.07648	11.4
309.11285	5.5
310.08246	1.9
311.09286	1.3
312.09985	8.3
313.10696	1.5
323.09268	2.9
324.09924	7.2
325.10617	2.3
327.12317	20.3
328.12790	1.8
339.12357	17.1
339.15417	0.4
340.12607	2.2
383.09073	1.0
393.84665	0.7
399.12186	1.0
401.14304	1.2
403.41345	0.6
411.12473	0.8
413.13971	1.6
417.13367	0.9
425.14093	0.8
427.11685	2.3
428.12408	0.8
429.13284	1.5
430.14255	1.1
431.14960	5.7
432.15036	1.3
441.13333	1.1
442.14221	4.0
443.15015	2.5
445.11993	1.2
445.16602	3.1
457.16776	8.5
459.13882	3.5
460.15121	2.7
461.15933	2.4
475.17609	30.6
476.17865	5.4
487.17584	6.7
490.16406	1.3
505.18646	100.0
506.18994	18.1
531.28455	1.1
567.25708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18306	1.6
53.89880	1.7
59.01244	13.7
61.98699	1.9
64.76989	1.6
71.01264	2.0
78.95789	6.2
96.95891	20.2
105.56676	1.8
109.02831	5.2
112.98701	3.5
121.02861	2.8
124.01560	2.5
125.02374	2.2
133.02843	2.8
135.04456	7.0
136.01563	58.2
137.02371	9.1
139.03984	2.6
142.33302	1.7
151.00259	12.3
151.03908	60.8
152.04343	3.0
158.77678	1.7
166.02615	34.7
167.03378	3.5
175.03897	4.9
177.01788	4.3
179.03409	7.5
181.04974	41.0
190.06302	4.1
191.03450	1.7
191.05582	3.7
200.61609	2.0
205.05014	4.4
206.05789	4.8
220.07349	2.3
221.08119	11.6
225.05533	2.1
255.02937	8.5
267.06549	8.5
268.07343	10.6
274.43909	1.8
283.02579	6.0
309.07745	2.5
311.05682	2.0
312.06384	7.2
327.08487	2.3
329.10114	2.7
342.11020	7.5
357.09647	15.5
357.13467	48.1
358.13989	2.9
369.13324	5.3
371.14957	2.6
372.12155	9.1
373.13000	2.9
387.14468	100.0
388.14798	11.8
422.18225	2.3
437.08237	2.1
537.21075	4.0
567.22327	2.9
567.30774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75562	0.2
55.01766	0.3
57.03307	1.1
58.00466	0.4
58.15102	0.2
59.01247	21.5
60.01586	1.7
61.01663	0.5
61.98692	0.6
69.03322	0.6
69.35726	2.4
70.17795	0.2
71.01247	5.2
72.01595	0.7
72.26494	0.3
72.99164	0.6
73.02815	2.9
75.00741	0.4
75.04843	0.2
78.95768	0.4
79.95604	0.3
83.01254	3.6
84.01543	0.2
85.02816	2.4
86.03120	0.3
87.00747	1.7
87.04398	0.8
89.02316	0.8
91.05374	0.3
92.58167	0.2
93.03326	1.0
95.01259	0.6
95.04900	0.2
96.95882	4.8
97.02849	0.4
97.16046	0.3
98.19810	0.4
99.00740	0.7
99.24453	0.2
101.02322	3.8
102.02676	0.4
105.03352	0.3
107.04901	1.0
109.02813	2.6
111.00749	0.3
112.98687	2.1
113.02339	2.0
114.02610	0.3
117.03393	0.4
123.04388	0.3
125.02339	0.8
133.02811	1.5
134.03639	3.3
135.04405	100.0
136.04736	3.5
137.02325	2.0
139.07544	0.3
139.11165	2.3
143.03419	0.4
151.11194	0.3
153.01842	2.9
161.02277	0.5
161.04492	0.9
162.03157	0.2
162.04803	0.3
165.09193	0.3
169.12251	0.9
177.01865	1.1
177.07297	0.2
179.03404	78.4
180.03743	3.5
181.12198	0.8
183.10176	4.0
186.06702	0.3
197.11739	0.7
211.07489	0.3
222.10162	0.2
225.11259	4.7
229.08566	0.6
239.12714	0.3
243.12323	5.1
244.12619	0.4
249.11351	0.7
267.12268	0.7
271.23059	0.3
284.11240	0.3
285.13531	0.5
291.12387	1.4
309.13266	0.6
315.14346	0.3
327.14508	2.2
361.29446	0.4
362.29831	1.0
387.11597	0.4
387.16592	7.4
388.16855	0.7
398.82077	0.3
403.17636	0.3
505.33957	1.5
506.34106	11.2
507.34399	4.4
524.35083	3.1
525.35437	1.0
535.14545	0.5
567.20721	13.0
568.21204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01250	6.7
61.98701	100.0
69.03312	0.4
69.49316	1.1
69.49749	1.0
71.01259	2.2
72.01564	0.3
72.99178	0.3
73.02812	0.6
74.03165	0.3
75.00760	0.3
78.95750	0.4
84.04395	0.3
85.02833	1.3
87.00762	0.6
89.02312	0.9
96.95876	2.9
99.00774	0.3
101.02348	1.1
102.49026	0.2
112.98693	1.6
113.02346	1.0
119.03373	0.4
128.03455	0.3
133.02913	0.3
135.04462	0.6
147.04488	0.3
149.00789	0.7
164.07086	0.5
166.06204	0.3
175.04057	0.3
179.03493	0.7
253.04643	0.4
271.02975	0.3
344.21817	0.3
361.22510	0.7
362.22617	0.6
373.21265	0.3
505.25873	0.7
505.34045	0.9
506.26001	2.0
506.34393	2.2
523.18994	0.4
523.27264	0.4
523.35168	0.7
524.35529	0.8
525.07568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86475	2.1
55.01734	2.6
58.00461	3.0
58.02819	3.7
58.23293	2.3
59.01246	72.7
60.01597	2.7
61.98683	7.4
67.01782	2.4
69.03326	13.5
69.86221	2.5
71.00886	3.6
71.01250	45.4
72.99167	4.3
73.02826	8.0
74.02342	15.5
78.95759	5.6
80.04946	3.1
81.03321	3.9
82.02400	2.4
82.02856	2.6
83.01273	5.0
85.02818	14.3
87.00749	10.3
87.05530	5.9
89.02318	44.1
93.03364	2.5
95.01237	9.8
96.04418	8.8
96.95885	45.2
97.02819	10.1
97.03935	9.3
98.02334	7.1
99.05495	5.0
101.02310	33.5
107.04929	2.1
108.02032	32.6
108.04431	7.6
109.02839	42.9
110.02375	2.8
112.03914	6.4
112.07562	4.8
112.98698	12.9
113.02312	20.3
113.03423	2.8
119.03378	22.0
119.04822	3.6
120.04406	2.1
120.99506	2.3
121.02855	14.8
122.05930	3.0
123.00770	3.8
124.03915	10.4
125.02381	24.4
125.03329	17.7
127.05023	4.1
129.75746	2.5
131.03427	4.6
133.02808	3.9
135.00752	6.9
135.04379	5.6
137.02345	26.3
137.07086	9.3
138.05495	3.0
139.05008	10.8
140.07088	4.9
143.03445	5.2
143.04503	5.3
147.05534	4.1
149.00787	8.6
149.02315	4.2
150.04210	3.2
152.01027	7.5
152.03403	5.8
153.00647	3.6
153.01837	62.3
153.06604	2.5
154.02229	2.9
155.08159	9.5
160.00566	6.6
160.88025	2.2
161.04420	7.0
163.03862	4.1
165.06609	18.7
167.03398	4.9
169.06311	2.6
177.01794	4.6
178.01346	3.9
178.27718	2.4
179.03368	6.3
179.05492	9.9
181.06084	6.6
183.07675	4.1
196.02382	3.2
197.06004	25.2
209.05588	14.1
209.08086	7.5
213.05562	5.5
215.06946	4.5
221.06581	8.6
225.05081	36.3
227.06682	7.5
243.04367	2.9
243.06573	45.5
245.06387	2.3
253.04626	100.0
253.07295	5.0
254.04926	5.8
261.05356	3.2
263.07690	3.7
271.02908	3.8
271.05667	19.6
287.30795	2.3
295.10025	6.7
297.06064	4.7
305.04562	4.4
319.52441	2.5
323.09668	10.0
459.11496	33.9
460.11801	2.8
463.79941	2.6
505.16840	3.4
506.34229	14.6
507.34265	6.3
523.27148	2.5
524.35034	4.8
537.19214	2.2
549.15338	4.6
567.16388	41.8
568.16791	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	565.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67070	1.5
59.01250	22.7
61.98705	9.1
70.90606	1.6
71.00792	4.1
71.01228	3.4
73.02849	1.7
78.95791	4.6
80.02579	3.1
80.75897	1.5
80.96378	1.8
96.95873	10.2
98.95478	4.1
99.08017	3.0
101.02317	4.3
112.98687	2.9
125.09643	2.6
127.11200	1.9
135.04399	2.1
139.11227	3.3
153.12740	1.8
165.12772	17.4
171.10223	5.4
178.02762	2.3
183.13837	8.6
187.33737	1.6
193.08432	12.0
195.13863	3.6
205.11913	2.8
209.07785	1.9
209.11745	2.2
211.13353	23.0
212.13531	1.9
213.14845	13.0
219.09984	3.5
221.11574	9.0
229.14375	14.6
231.10016	9.2
233.11534	92.2
234.11905	4.7
235.12862	1.6
249.11174	17.7
251.12573	24.5
329.23309	67.6
330.23584	5.1
351.06165	2.1
351.21518	100.0
352.21741	7.3
389.14142	4.6
433.13458	4.2
489.12103	2.0
522.36774	1.8
565.36182	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	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03323	4.1
58.00452	0.4
59.01248	100.0
59.85128	0.2
60.01582	0.8
61.98700	0.4
69.03310	1.1
69.27877	2.2
71.01250	15.8
71.04880	0.3
71.40344	0.2
72.01599	0.3
72.99182	1.1
73.02817	4.4
75.00751	0.3
78.95767	0.4
81.03337	0.4
83.01257	3.9
84.02024	0.3
85.02823	8.8
85.06477	0.9
85.99981	0.4
86.03152	0.2
87.00738	1.8
89.02321	2.2
93.68587	0.2
95.01260	1.7
96.95881	3.0
97.02834	0.9
97.06463	0.3
98.20537	0.5
98.95437	0.3
99.00752	2.2
99.08031	0.3
101.02317	9.4
102.01926	0.3
102.02614	0.2
102.08923	0.2
109.02843	0.3
109.06452	0.5
111.00768	1.3
112.01565	0.4
112.98682	0.3
113.02325	9.0
115.03924	0.5
116.92753	0.3
119.03384	0.7
120.99500	0.4
123.04440	0.3
124.01564	0.5
125.02348	1.3
125.09579	0.3
129.01843	0.4
131.03432	0.4
132.04448	0.3
133.02864	0.3
135.04390	0.3
141.01591	3.0
143.03409	1.4
143.10689	2.3
145.17670	0.2
153.01776	0.4
153.12729	0.5
154.96863	0.2
159.02895	0.7
161.04453	2.1
171.13899	0.4
177.01773	0.5
179.05496	0.2
211.17087	0.3
229.18024	1.9
261.11346	0.3
301.20047	0.3
315.25342	2.1
343.28314	1.1
361.22330	0.6
361.29572	11.2
362.30002	1.0
373.29477	0.2
375.99622	0.2
399.60663	0.2
403.30777	0.3
457.31686	0.8
469.31787	0.4
475.32861	1.0
505.33795	64.7
506.34091	8.0
506.40295	0.2
511.00943	0.2
521.26215	0.6
523.34833	23.9
524.35297	3.4
565.29913	0.4
565.36493	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	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90806	12.9
59.01249	100.0
61.98700	18.1
71.56654	12.2
71.57118	26.9
78.95784	33.5
96.95879	23.7
137.09627	96.7
201.02429	26.6
217.00261	35.6
254.85573	32.7
269.06946	94.6
280.97641	13.9
295.08688	18.0
309.10172	20.1
323.13980	14.7
427.05704	42.6
469.38364	14.2
551.26349	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	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40558	11.2
56.65278	11.1
59.01249	100.0
61.98696	29.8
78.95773	29.1
88.69640	10.9
90.28291	15.0
96.95892	19.2
121.50690	12.4
121.56044	13.7
174.99153	17.0
217.00224	39.9
281.91782	12.3
318.65811	13.5
321.10208	30.7
344.17548	12.3
348.57733	14.4
565.28809	19.3
569.16711	14.6
574.73010	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	565.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07952	1.3
59.01251	18.6
59.03659	1.3
71.01246	7.4
72.99155	1.3
73.02809	3.3
83.01229	1.5
83.63593	1.2
85.02800	3.1
89.02310	3.7
95.01268	1.5
96.95876	3.1
99.00733	1.8
101.02329	6.5
109.72287	1.1
113.02293	1.7
121.53734	1.1
122.05971	3.4
123.00713	1.9
125.02356	7.1
132.04492	5.8
137.02438	1.3
147.03212	1.6
150.05504	2.0
151.03848	1.7
158.02383	1.9
160.03938	4.1
161.02371	1.7
161.04532	1.3
162.05490	1.9
173.37628	1.4
175.46687	1.2
176.03448	3.1
176.06760	1.3
179.03427	1.5
184.07611	1.2
190.05017	9.6
198.04285	2.8
211.12212	1.6
213.06583	3.6
215.11816	2.1
223.08510	1.3
224.09503	4.4
227.08165	3.6
229.05098	1.4
237.04205	1.8
238.74577	1.4
239.04630	1.6
239.08218	2.9
239.11848	14.0
240.04828	1.4
240.10410	6.1
241.09731	6.0
250.07346	3.1
252.05325	2.8
253.06178	13.3
253.09674	3.9
254.03284	2.6
254.06737	2.2
255.07680	5.7
255.11295	3.4
257.04553	14.1
258.04721	1.4
265.09778	5.4
266.07480	2.1
267.07736	9.9
268.08609	8.7
271.07208	4.3
281.09302	8.1
282.09583	1.4
283.10867	49.1
284.11157	4.3
287.10260	3.5
294.06473	2.3
297.08557	2.1
299.07175	1.5
299.10269	2.6
309.08795	26.1
309.12253	1.8
310.09030	1.8
315.13397	1.9
325.12772	2.2
327.09827	21.4
328.09775	2.2
341.11337	8.2
353.07654	4.1
361.22330	2.9
371.08804	21.3
372.09537	1.6
385.10428	24.9
386.10629	1.8
403.11295	36.7
404.11722	4.2
445.12540	5.1
484.75778	1.3
519.24451	1.5
521.26123	3.9
533.14368	7.5
534.14667	1.9
565.16699	100.0
566.17004	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	565.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57947	1.6
52.01817	1.8
59.01250	36.3
68.99426	2.5
69.03320	3.5
69.97556	3.0
69.97968	7.7
71.01260	15.8
72.00790	2.4
72.99163	4.2
73.02817	5.8
74.37406	1.8
75.00737	4.0
78.95773	2.9
79.95614	2.8
81.03333	2.0
83.01234	2.8
83.04902	3.2
85.02814	5.7
86.02348	9.3
87.00745	2.7
87.16825	2.1
89.02312	9.3
95.01258	4.4
96.00785	12.5
96.95886	78.3
98.02342	3.6
98.95478	2.6
99.00758	2.3
101.02331	9.0
112.98545	2.1
112.99797	2.9
113.02314	6.6
113.03442	39.2
123.00777	5.5
124.01530	6.0
125.02349	16.5
134.06023	2.9
135.65662	2.1
137.02321	2.5
148.03841	1.8
149.93707	1.9
160.03929	2.6
161.02354	2.2
175.02647	9.3
176.03378	6.3
179.03313	2.0
204.02913	3.0
210.79460	2.1
212.07205	2.8
219.68285	1.7
225.06464	3.4
227.04617	2.7
227.08240	9.5
238.05052	2.5
240.05048	2.4
240.10341	2.3
241.03836	2.6
241.06073	3.7
243.07768	6.9
253.06143	5.4
253.09737	4.5
255.04074	5.9
255.07805	11.2
255.11237	4.0
256.04938	7.4
266.07083	6.8
267.07669	4.3
268.08609	5.3
269.09213	11.1
270.06332	3.9
271.07236	42.5
272.07620	5.4
279.07883	3.6
281.06021	4.3
281.09293	11.7
282.06445	7.3
283.07275	10.4
283.10825	14.2
287.10492	2.1
293.05719	2.6
294.06491	7.4
297.05362	4.1
297.08743	29.8
299.06757	8.7
299.09903	2.5
307.07248	3.2
309.08810	25.0
311.06714	11.6
313.08176	3.8
325.08401	9.5
327.09799	16.9
328.09747	3.1
331.09436	2.1
335.06644	8.5
341.11398	8.6
343.09183	6.2
353.07697	9.1
361.16315	2.6
361.22269	4.6
367.09369	3.3
371.08835	4.4
385.05789	3.3
385.10416	46.6
386.10538	4.5
403.10959	41.9
404.11569	3.7
445.12518	8.8
489.15720	3.4
505.14417	3.2
505.24994	5.4
521.25769	4.2
533.13934	4.5
547.15991	4.6
559.27814	2.1
565.16736	100.0
565.28070	13.0
566.17236	16.0
566.29456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.048
Annotation	UDPglucose
Peak:m/z	Relative Intensity
55.90575	1.4
69.86146	3.2
69.86549	6.2
78.95779	100.0
96.95880	3.2
96.96839	33.3
111.01899	9.1
111.16926	1.5
120.96842	1.6
138.97905	3.4
150.97920	2.8
158.92438	13.8
211.00104	4.3
241.01157	10.6
254.85327	1.7
272.95633	4.8
288.87997	1.6
320.97839	3.8
323.02823	65.6
324.03027	2.9
384.98337	5.5
402.99628	2.1
565.04919	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	565.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
62.13289	0.2
65.00194	0.9
71.01248	2.5
71.57817	0.4
72.99198	0.4
73.02822	0.6
74.02393	0.2
79.95615	0.3
81.96343	0.2
83.01259	0.4
85.02839	0.6
87.00755	0.3
89.02313	3.6
92.43630	0.3
93.03342	0.3
96.95891	2.5
99.00775	0.3
100.40552	0.3
101.02322	2.0
105.76131	0.2
107.01274	1.4
108.02055	1.7
111.00797	0.3
113.02348	0.5
117.52383	0.2
119.03468	0.3
121.02851	0.4
123.00762	0.3
125.02291	0.4
131.03404	1.4
135.00790	0.8
135.04411	0.4
148.01567	1.6
149.04472	3.2
151.00273	4.5
152.00882	0.4
153.01796	0.4
163.00278	1.1
164.01054	0.6
169.01337	0.6
178.99796	5.1
180.00169	0.3
187.03931	0.3
191.05547	1.3
198.03058	0.3
199.03928	1.1
201.01825	0.3
203.03386	0.3
211.03877	0.5
215.03496	0.6
216.04256	0.6
226.02740	1.5
227.03491	2.5
243.02971	10.6
244.03398	1.0
254.02145	2.1
255.02971	26.9
256.03293	1.8
271.02478	56.9
272.02924	5.1
299.02054	1.9
300.02747	100.0
300.99698	0.5
301.03214	9.9
415.06677	0.6
433.08176	0.4
445.25281	0.2
475.08853	0.4
505.26559	2.2
521.25397	0.3
565.11969	66.1
566.12268	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	563.3071
Annotation	Dendronobiloside A
Peak:m/z	Relative Intensity
50.91380	0.7
55.01742	0.7
57.03311	2.6
58.00471	0.8
59.01250	15.9
59.85963	0.7
61.98708	1.1
62.62109	0.6
64.19306	0.7
68.99677	0.8
71.01255	16.8
71.58104	0.7
71.58512	1.0
72.99174	5.8
73.02824	1.5
75.00352	1.1
75.00746	14.9
77.72725	0.7
78.95777	2.9
83.01271	1.1
85.02335	1.5
85.02826	19.0
87.00742	6.4
89.02320	3.4
95.01258	3.5
96.71045	0.8
96.95908	4.4
99.00763	8.3
101.02340	1.4
103.00249	2.1
112.01499	1.2
113.02330	23.7
115.00277	1.5
117.01815	2.6
122.54901	0.9
125.09586	2.8
127.11189	3.9
129.01819	1.0
133.02841	2.1
135.04463	1.0
137.09615	1.0
152.99515	0.8
155.10750	0.8
159.73343	0.7
165.09142	2.0
171.10161	5.4
175.02393	2.7
191.05527	2.1
199.09673	1.8
201.11275	29.1
205.07175	1.7
249.06181	4.2
255.23236	1.0
267.07190	4.3
277.21844	3.6
295.22778	2.8
313.23853	24.8
314.24255	1.6
317.38229	0.8
414.03152	0.8
495.33945	0.8
545.29657	2.5
563.30701	100.0
564.30945	13.8
568.31531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.5
60.99164	0.6
61.98717	0.6
67.01765	1.7
70.79353	1.3
71.01255	2.8
72.99166	0.4
78.95786	0.8
81.03346	0.9
85.02824	8.9
85.83121	0.4
87.00751	3.5
89.68777	0.5
93.03336	11.5
95.01285	0.5
96.95889	3.8
97.83669	0.5
107.04873	0.6
108.02061	1.6
109.02819	2.4
111.00742	0.8
111.04384	2.6
121.02840	2.3
122.03635	1.1
124.00730	0.7
124.01544	4.2
125.02328	2.3
126.03130	0.8
127.03904	2.2
132.02115	1.1
133.02852	2.6
134.03665	6.2
135.04420	69.4
136.04723	2.3
137.02330	2.0
137.33794	0.4
146.03644	0.5
150.03130	3.0
151.03912	8.4
152.04330	0.5
152.91626	0.4
155.03377	0.6
160.01593	2.6
161.02373	2.3
162.03101	0.8
163.03868	0.5
167.03346	0.7
172.05278	0.6
173.04498	2.8
173.05766	0.5
174.03108	1.1
177.01901	0.7
177.05476	0.7
178.02631	0.9
179.03423	16.6
180.04056	1.6
181.04939	0.4
187.03976	0.6
189.05571	0.7
191.05545	100.0
192.05882	3.4
194.02187	1.0
197.06096	1.1
199.04034	0.6
200.04633	1.5
202.02673	0.6
213.05626	0.6
215.05426	0.6
227.03551	0.9
228.04216	1.7
270.78522	0.4
276.86417	0.5
281.15280	0.6
283.13281	1.7
290.07977	0.7
299.16489	1.3
301.14255	0.9
307.08279	4.3
308.09015	11.1
309.09439	0.7
309.14841	3.3
325.14395	1.6
327.12329	0.7
327.15967	8.3
327.21890	0.7
328.16656	0.7
343.15402	2.8
345.17014	1.8
349.06360	1.3
351.07193	1.5
352.07922	6.7
353.09271	0.6
353.13931	4.9
354.14194	0.5
371.14990	42.5
372.15271	4.2
389.15866	0.5
563.12854	0.6
563.21387	8.5
563.30695	0.6
563.34271	1.0
564.21295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78132	2.1
59.01250	68.8
71.01258	52.2
72.99173	3.7
73.02807	19.4
74.98978	2.6
82.63139	2.3
83.01275	2.5
85.02817	8.1
87.00730	6.3
89.02319	100.0
96.95892	19.6
97.02858	2.4
98.20505	4.1
98.95470	4.9
99.00750	24.2
101.01688	3.7
101.02322	44.4
113.02355	10.8
114.93286	9.0
116.92770	3.2
119.03359	6.0
125.02339	4.4
125.36474	2.1
131.03409	17.1
141.83035	2.5
143.03372	2.8
149.04471	96.1
152.99414	2.7
161.04529	2.6
180.55435	2.9
191.05530	22.7
210.70697	2.4
221.06602	8.7
251.07635	9.8
293.08844	3.1
311.09717	4.4
485.17938	3.9
503.24924	10.1
563.27795	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85418	1.5
55.01759	3.9
57.03327	2.9
59.01252	93.6
60.01596	2.5
69.42350	6.0
69.42772	7.7
71.01255	30.0
72.99188	2.9
73.02823	14.1
78.95739	2.1
81.03340	1.7
82.65392	1.6
82.95955	1.6
83.01258	7.8
85.02830	18.4
85.99980	3.0
87.00755	6.4
88.98666	2.8
89.02300	8.5
93.03362	3.1
95.01266	3.6
96.95889	35.6
97.02892	2.1
99.00776	5.8
101.02325	20.8
106.84319	1.8
108.01981	1.6
109.02834	3.1
113.02332	9.8
119.03394	2.2
121.02856	10.5
125.02313	3.5
128.19128	1.6
133.02855	2.5
135.04416	2.4
136.01575	2.4
143.03407	3.1
145.02855	3.5
147.04437	2.4
149.05972	1.9
151.03943	4.2
159.04396	4.0
161.02345	2.1
179.03345	1.6
191.05551	15.8
192.05904	3.0
193.05977	3.2
223.09613	1.9
224.04721	1.7
235.07538	2.2
239.07254	2.0
240.04185	1.8
251.07259	2.3
255.02979	1.7
255.06584	2.8
257.13431	1.5
263.07010	3.5
265.08762	2.8
266.05786	2.2
267.06604	6.2
268.07376	6.9
269.08221	9.7
270.08859	2.4
271.09698	1.8
280.07385	5.2
281.08194	23.3
282.08917	8.3
283.09747	12.4
293.08289	6.2
294.08911	2.4
295.09738	5.4
296.10483	2.8
297.11313	2.7
299.09271	6.8
300.02841	9.7
300.10001	2.7
302.08157	2.1
311.09146	10.1
312.09995	2.6
313.10565	2.2
314.07892	6.5
314.11633	12.4
315.05087	5.4
315.12350	6.7
325.10538	1.8
326.11505	17.9
327.12317	11.7
329.13968	17.4
330.14334	1.6
340.09390	2.1
341.10272	2.5
341.13968	17.7
342.14435	1.8
343.11679	4.0
355.11838	5.8
357.13177	2.7
369.13562	3.4
371.15118	2.8
383.14935	2.1
413.16379	2.5
419.71863	1.8
427.14792	1.6
443.13501	2.5
455.13333	5.5
458.15729	9.3
470.15778	6.3
473.18408	59.3
474.18622	9.6
476.16852	13.0
485.18182	76.1
486.18478	10.4
488.16977	6.9
491.19250	51.7
492.19513	6.7
503.19226	100.0
504.19681	12.7
521.26923	1.8
533.20251	82.3
534.20355	10.1
545.20264	51.9
546.20557	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.6
67.01751	2.2
71.01241	3.3
72.71886	0.5
73.02799	1.1
77.57536	0.4
78.95772	1.4
81.03319	0.6
83.01308	0.5
83.04897	0.8
85.02337	0.8
85.02821	10.6
85.03333	0.6
87.00732	3.4
93.03338	10.5
94.03642	0.6
96.68115	0.6
96.95901	3.0
98.95480	0.5
99.04373	0.6
101.02357	0.8
103.38165	0.5
108.02042	1.7
109.02821	3.0
111.00784	0.7
111.04388	2.0
113.02299	0.9
113.19690	0.5
117.03357	0.8
121.02827	1.4
122.03620	0.9
122.99743	0.5
124.01560	5.0
125.02360	2.4
126.03152	0.8
127.03899	2.0
129.01709	0.6
132.02034	1.2
133.02856	2.2
134.03627	4.3
135.04408	62.6
136.04762	2.0
137.02396	1.2
139.03938	0.6
145.02846	1.8
150.03165	3.6
151.03922	8.8
154.02539	0.5
154.49132	0.5
160.01527	3.0
161.02328	2.2
162.03055	1.0
163.03931	0.8
172.05145	0.9
173.04466	4.1
174.03149	1.0
175.03970	0.7
176.04822	0.5
177.01787	1.2
178.02634	0.9
179.03410	15.2
180.03949	0.8
187.03854	0.7
191.05530	100.0
192.05850	3.4
199.03900	0.6
200.04681	1.9
202.02632	0.6
227.03459	0.9
228.04234	2.0
249.05495	0.8
260.59869	0.4
273.03036	0.5
283.13455	1.3
290.07874	0.9
299.16376	1.7
301.14441	0.7
307.08316	2.0
308.08990	9.5
309.09607	0.8
309.14908	2.9
325.14410	1.3
327.15933	8.4
328.16342	1.0
343.15494	2.5
345.17133	1.5
347.16986	0.6
351.07257	1.9
352.07904	6.3
352.58386	0.5
353.13928	5.9
354.14279	0.7
357.18896	0.7
371.14954	38.4
372.15372	4.8
442.60080	0.5
545.20331	0.6
563.21277	8.1
563.28674	0.7
564.21448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1406
Annotation	Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside
Peak:m/z	Relative Intensity
59.01245	2.4
60.67375	0.4
65.00201	0.8
70.72517	1.2
71.01251	1.0
83.01245	0.5
83.66070	0.4
85.02811	0.9
89.02289	1.4
92.17752	0.4
93.03358	0.7
96.95881	5.0
98.95482	0.5
100.89861	0.4
101.02302	0.6
107.01287	0.6
113.02299	0.5
117.03293	0.8
124.07462	0.5
128.03433	0.5
135.00728	0.4
145.02840	0.6
149.04416	0.5
149.23984	0.4
151.00262	1.5
159.04405	1.0
169.06512	0.7
171.04427	0.6
173.02245	0.5
183.04471	3.1
185.05974	0.5
187.03870	1.2
189.05513	0.6
191.05544	2.1
203.03534	0.5
205.94276	0.4
210.00117	0.4
211.03888	2.1
211.79626	0.4
212.04485	0.5
213.05502	1.5
214.02623	0.9
215.21620	0.4
227.03461	2.6
229.05067	0.6
239.03476	0.7
241.04977	0.5
243.03052	0.5
255.02962	42.1
256.03336	3.4
257.04443	1.3
264.87149	0.4
283.02463	100.0
284.02890	11.1
285.04028	43.0
286.04321	2.8
297.70670	0.5
417.08255	7.6
418.08749	0.8
430.09003	30.1
431.09744	33.9
432.10107	3.3
476.68091	0.4
485.18182	0.6
503.19150	0.4
563.14020	52.2
563.27728	1.4
564.14331	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	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35555	0.2
59.01241	0.9
59.98805	0.2
61.98347	0.2
63.02268	0.3
65.00204	0.3
65.41350	0.2
70.98745	0.5
78.95792	1.2
83.01271	0.6
93.02781	0.3
93.03288	1.2
94.08279	0.2
96.95886	4.6
107.01255	0.8
109.02822	0.3
110.98392	1.0
111.01895	0.7
113.02253	0.2
117.03338	0.8
122.69561	0.2
123.00807	0.3
133.02791	0.4
135.00783	0.3
143.04924	0.5
145.02800	0.2
151.00253	1.8
152.49683	0.2
154.04163	1.0
155.04922	0.6
159.04405	0.9
163.00229	0.7
165.01848	0.5
167.04968	0.5
169.06505	2.3
171.04437	0.6
173.02341	0.8
182.03586	0.3
183.04440	3.3
184.05196	0.3
185.02414	0.4
185.06015	2.1
187.03915	2.0
189.05515	1.5
191.05447	0.3
195.04480	0.6
199.03870	0.7
201.05496	0.4
211.03941	3.1
212.04532	0.5
213.05519	2.7
214.02692	1.0
215.03415	1.1
217.04892	0.3
226.02470	0.3
227.03442	5.0
228.03874	0.4
229.04930	1.0
239.03386	1.0
241.01385	0.4
241.05032	0.7
243.03041	1.5
255.02966	48.7
256.03394	3.6
257.04544	2.2
270.01682	0.3
271.02448	0.5
282.01563	0.4
283.02472	100.0
284.02954	10.7
285.04034	83.4
286.04398	6.7
291.00946	0.2
299.02066	1.2
417.08270	2.7
430.09036	20.2
431.09799	67.5
432.04233	0.2
432.10135	7.2
563.14075	20.4
564.14410	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	563.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.8
59.01241	17.9
66.98893	2.4
70.49905	2.9
70.50240	7.9
71.01268	12.5
78.39559	2.6
78.95789	5.1
79.95591	3.0
85.02818	7.4
89.02315	10.4
93.20741	2.6
96.95889	100.0
98.19838	3.4
98.95464	7.8
101.02304	6.4
108.81075	2.5
113.02317	4.2
121.02886	3.0
135.04396	3.2
142.69675	2.9
191.05510	7.8
196.66942	2.5
199.04008	3.1
219.13412	2.4
227.03424	3.4
243.02904	11.2
255.02908	10.9
269.04462	7.7
271.02457	25.6
272.03140	3.3
299.01944	40.7
300.02707	20.3
314.04333	29.9
315.05087	70.3
316.05386	5.3
374.99615	2.8
403.63892	2.7
473.17990	11.5
485.18314	13.9
503.18839	9.2
503.25232	6.0
519.11505	19.4
563.27582	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	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.1
59.01248	1.6
60.01585	0.1
61.98700	3.6
63.02259	1.2
63.02567	0.1
63.60582	0.1
63.75188	0.1
65.00169	0.5
69.76093	0.4
71.01250	1.0
72.96652	0.1
72.99166	0.1
73.02804	0.3
83.01221	0.2
85.02827	0.2
85.43401	0.1
87.00742	0.2
89.02313	1.8
90.02640	0.2
93.03341	0.3
96.95884	0.8
98.19818	0.1
99.00761	0.5
101.02306	0.8
105.03347	0.1
107.01264	1.2
111.00816	0.1
113.02331	0.2
117.03342	2.8
117.04183	0.2
118.03705	0.1
119.03353	0.1
121.02789	0.1
124.68586	0.1
125.02335	0.1
131.03383	0.3
133.02869	0.1
135.04430	0.3
149.00743	0.1
149.01279	0.1
149.02376	0.7
149.04448	0.9
150.04791	0.3
151.00276	0.6
151.04900	0.1
154.34329	0.1
155.04926	0.1
157.06427	0.1
159.04424	1.3
161.02335	0.8
161.04410	0.1
169.06467	0.4
173.05956	0.1
177.01974	0.1
179.03470	0.1
181.06439	0.3
183.04469	0.5
191.05515	0.3
192.05855	0.1
193.06004	0.1
196.05109	0.3
197.06004	0.8
199.03918	0.2
200.04666	0.1
201.05527	0.4
203.03384	0.1
220.76367	0.1
224.04758	0.3
225.05505	1.0
227.03523	0.5
227.06755	0.1
240.04376	0.2
241.05064	0.1
261.05521	0.1
268.03778	1.0
269.04538	100.0
270.04871	7.7
293.08759	0.1
299.68900	0.1
311.05661	0.2
329.13934	0.2
359.20972	0.1
389.38440	0.1
404.11545	0.1
563.14056	3.0
563.27087	0.1
564.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01243	0.5
70.57948	0.2
71.01225	0.3
71.58267	0.2
71.58685	0.3
74.10740	0.3
78.95766	2.6
80.96416	0.3
96.53212	0.2
103.90804	0.3
125.09604	1.2
127.11178	1.6
141.12718	0.3
152.99536	0.4
169.12219	0.3
179.61607	0.3
191.05501	0.3
193.08408	0.4
207.10106	0.4
223.20554	0.5
224.06972	0.6
251.20079	1.9
267.19650	1.0
269.21216	100.0
270.21570	8.9
277.21725	6.9
289.17868	4.1
290.18188	0.5
291.19427	2.8
335.18341	2.2
335.96820	0.3
336.18872	0.3
347.14270	0.3
476.28766	0.3
488.89520	0.3
502.29379	5.9
559.38879	0.9
561.41266	35.6
562.41602	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	562.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56783	0.5
59.01243	0.6
60.75913	0.5
61.98713	0.7
71.14950	1.3
78.95775	10.5
96.95873	1.2
98.43506	0.5
133.20447	0.5
135.56242	0.5
140.01106	3.0
152.99464	0.8
155.14302	0.9
163.11156	0.8
165.12770	2.2
181.12286	1.0
196.03717	1.5
199.13326	24.8
200.13660	1.0
214.04799	3.7
279.19543	2.7
329.24847	0.6
347.25830	6.5
363.25659	0.7
365.26941	100.0
366.27277	10.0
397.21832	0.5
491.31030	0.6
495.63474	0.6
562.31525	18.7
563.31635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.0
58.00460	1.8
59.01248	100.0
60.01582	1.5
61.98693	3.8
69.03322	1.5
69.51881	3.9
69.52296	5.6
71.01250	49.3
71.04891	1.5
72.99173	3.5
73.02815	16.5
74.03300	1.2
83.01257	4.5
83.13501	1.3
85.02825	10.5
87.00749	4.1
89.02315	69.7
93.81524	1.4
95.01254	2.3
96.95879	34.3
97.02834	2.6
97.06474	3.5
98.95440	1.5
99.00754	18.5
101.02316	41.1
102.02626	1.6
107.04893	1.2
109.06475	5.8
113.02327	16.0
119.03395	6.0
120.99518	1.7
121.02819	1.3
125.02325	2.8
127.07552	2.0
131.03416	10.1
143.03362	3.8
147.92709	1.2
149.04451	55.9
150.04784	1.8
161.04433	6.0
169.12257	2.0
171.10127	2.4
179.03448	1.7
179.05576	2.3
187.10898	1.3
191.05537	12.1
197.11786	13.5
209.11853	2.2
211.13326	6.7
221.06569	5.3
235.13135	2.2
237.14919	2.5
251.07658	5.1
253.09250	13.7
271.02481	5.7
289.17902	1.3
293.08719	1.8
299.01880	2.6
307.19055	3.8
311.09778	4.2
325.20187	25.5
326.20474	4.5
339.25345	2.4
357.26474	2.7
376.71063	1.2
397.09171	2.4
399.18503	10.8
429.11597	2.9
501.30707	11.4
519.32056	7.7
561.23572	14.9
561.32367	10.0
562.23944	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	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	61.4
61.35161	2.3
63.60230	2.4
71.01256	39.3
71.35294	4.0
73.02828	14.5
78.09448	3.1
80.29244	2.6
85.02822	9.0
85.76930	2.5
87.99245	2.7
88.98679	3.2
89.02312	100.0
96.95877	8.0
99.00729	25.4
101.02326	44.8
113.02326	7.9
122.38814	2.5
131.03375	15.0
139.68781	2.7
141.01796	2.9
143.03412	5.9
149.04457	85.2
157.80995	2.7
191.05522	18.0
195.20993	3.0
220.38542	2.7
221.06593	10.0
247.42387	2.9
251.07532	4.9
293.09286	2.7
311.09695	3.4
363.17822	2.8
368.22421	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	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01804	3.8
58.00442	5.0
59.01249	100.0
61.98694	3.6
69.71690	5.0
69.72103	13.9
70.59149	3.2
71.01251	65.2
72.99188	8.7
73.02822	18.6
75.00742	4.0
78.95750	3.9
79.22182	3.0
80.96375	3.3
83.01225	4.8
85.02798	15.4
87.00750	9.3
89.02314	87.8
96.95888	95.9
98.19820	3.5
99.00761	19.0
101.02324	48.8
113.02311	13.7
118.97977	4.1
119.03378	8.8
131.03366	13.3
133.02788	3.3
143.03374	3.7
149.00804	5.5
149.04449	62.6
159.06523	3.0
191.05545	24.2
221.06618	7.2
235.57614	3.6
251.07768	3.9
311.09903	4.9
399.09775	5.3
495.13031	3.6
561.25397	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65579	0.6
55.01751	4.2
56.56649	0.7
59.01251	9.5
67.01754	0.7
69.03324	100.0
70.03650	2.2
71.01251	5.0
72.34333	0.6
72.99178	2.6
73.02801	1.2
81.15485	0.7
83.01237	1.2
83.18666	0.6
85.02830	2.7
87.00774	0.8
89.02303	2.7
95.01268	2.8
96.95889	2.5
97.02829	20.8
98.19746	1.4
99.00751	27.5
99.72491	0.7
100.01093	1.0
101.02322	3.0
113.02312	2.9
119.03374	1.4
123.00759	1.0
125.02324	0.7
141.01816	8.8
151.00238	1.0
159.03145	1.3
160.03949	14.8
163.76509	0.6
177.01971	0.7
185.00829	98.2
186.01186	3.2
195.13789	1.2
204.03003	0.9
204.27780	0.6
229.52159	0.7
280.89197	0.7
338.94476	0.6
357.13382	1.0
375.20206	13.9
376.20425	1.7
397.09250	4.5
429.12003	1.3
519.31720	0.9
529.13190	3.1
561.22064	8.4
561.30493	1.3
562.22797	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	561.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14356	0.3
55.46508	0.3
56.97905	0.7
57.44089	0.3
58.00459	0.3
59.01250	2.3
60.97401	1.8
63.96138	0.3
69.44339	1.5
69.44763	1.2
71.01248	1.1
72.99164	0.8
73.02849	0.3
73.58418	0.3
73.98196	3.8
74.98969	100.0
75.46345	0.3
75.99294	0.7
79.95610	0.4
80.96400	1.4
85.02821	0.6
87.00755	1.1
89.02312	1.1
96.95892	2.1
98.19846	0.7
101.02319	1.0
111.04387	0.5
113.02348	0.5
118.97945	0.3
120.99545	0.8
123.33742	0.3
136.99040	86.3
137.99406	1.5
173.13235	0.4
179.05502	0.4
190.08383	0.3
205.10533	1.6
217.12186	1.8
225.00711	0.5
249.09486	0.7
261.11298	1.3
284.46945	0.3
296.88358	0.4
311.09488	0.9
399.11176	21.8
400.11581	2.1
471.15356	1.4
543.16730	0.4
561.16632	6.8
562.16846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13741	0.3
56.97907	0.5
59.01253	1.8
60.97389	1.7
63.96124	0.4
71.01252	0.8
73.98187	3.5
74.98970	87.3
75.98884	0.3
75.99300	1.0
79.95586	0.7
80.96397	2.0
87.00761	1.0
94.97952	0.7
96.95876	2.2
100.00089	0.3
101.02294	0.6
102.13294	0.4
102.54655	0.3
130.08626	0.4
136.99039	100.0
137.99338	1.7
197.66965	0.3
205.10457	0.6
205.90109	0.3
225.00716	0.7
261.11295	0.6
311.09717	0.7
370.41116	0.4
399.11169	6.5
400.11377	0.5
430.06653	0.4
471.15485	2.9
561.16968	2.4
561.24872	0.5
562.16803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01248	29.3
62.86763	0.8
69.03333	1.3
69.88649	5.0
71.01250	5.1
73.02819	4.1
83.01284	2.0
83.04897	5.1
85.02833	3.4
87.00773	1.4
89.02313	1.8
95.01231	0.8
96.95885	8.0
97.02837	3.5
97.06525	0.9
98.95444	1.1
99.00828	1.0
101.02317	4.8
105.06992	1.1
111.04396	24.1
113.02321	3.1
117.07016	1.7
118.88412	0.7
119.08510	1.3
121.06480	1.8
122.03584	1.2
123.04443	0.9
133.10092	0.8
135.04367	1.1
135.08076	1.2
147.04401	1.2
147.08086	1.3
148.05185	1.0
149.00845	1.3
149.70140	0.9
151.07555	2.0
157.10217	1.2
159.07993	1.5
161.04492	0.8
161.09628	1.3
163.07553	5.0
167.03409	2.1
171.10228	1.7
171.11652	2.0
173.06012	1.1
173.11739	1.1
173.13258	19.1
174.13675	0.9
175.07594	8.1
175.11162	1.3
187.11206	1.9
188.98080	0.7
189.12744	2.2
190.89902	0.8
199.11249	4.1
201.54561	0.8
208.37061	0.9
215.10751	1.4
216.07722	0.8
217.12270	100.0
218.12637	5.8
233.11725	1.4
243.10179	1.1
253.09724	0.8
261.11285	71.4
262.11618	5.0
271.02603	1.2
277.10809	3.3
325.19971	1.5
356.25299	1.1
357.26215	1.7
429.11780	1.0
463.11737	0.9
501.30716	5.3
519.31604	1.1
561.19153	15.2
561.32745	14.6
562.19702	2.8
562.32343	1.4
576.38226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03321	0.8
58.00461	1.0
59.01250	21.5
68.62882	0.4
68.99681	0.5
69.03318	0.5
69.60629	1.4
69.61049	1.0
70.73435	0.3
71.01252	9.6
72.99181	1.2
73.02818	28.5
74.97139	0.3
79.95602	3.0
80.96396	0.4
83.01260	2.1
85.02820	5.1
87.00761	1.0
87.04391	8.7
89.02316	5.3
95.01274	1.0
95.04921	0.4
95.95122	2.5
96.95889	100.0
97.02810	0.6
97.95827	0.5
98.95409	0.4
99.00774	0.7
99.04396	0.9
101.02323	7.4
101.65906	0.4
113.02335	6.0
115.03883	1.8
119.03374	1.9
119.04982	0.3
125.02304	0.4
127.03841	0.5
143.03371	0.6
161.04465	0.8
235.13309	0.6
238.65421	0.4
240.26485	0.3
245.11824	0.6
297.60208	0.4
325.07526	3.8
325.20322	0.4
357.26489	0.3
487.12924	0.5
501.30994	1.2
561.16431	93.4
562.16724	11.5
587.22986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13275	0.3
53.66397	0.3
57.03311	0.5
57.14051	0.4
59.01245	4.9
60.99175	1.0
65.66033	0.4
67.01747	3.2
69.03324	0.9
69.25227	0.6
69.25626	3.9
69.54953	0.4
71.01257	3.3
73.02811	1.4
81.03327	1.0
83.01251	0.6
83.04886	0.9
85.02819	8.9
87.00748	5.8
89.02305	1.8
93.03333	22.2
94.03650	0.6
95.04903	0.4
96.95882	9.0
97.02820	0.5
99.00748	1.1
99.04387	0.6
101.02304	1.9
105.03325	1.0
108.02141	0.4
108.33553	0.5
109.02820	2.8
110.00565	0.3
111.04422	3.0
113.02306	0.8
123.04390	0.6
127.03931	2.3
129.01849	0.5
132.02071	2.9
133.02844	11.1
134.03618	0.7
135.04416	6.1
136.01559	4.1
137.02293	1.3
145.02950	0.5
151.03891	4.9
153.01801	0.7
155.03377	0.7
160.01558	7.6
161.02342	12.9
161.04379	0.8
171.02866	0.7
173.04457	8.0
177.01877	4.4
178.02615	1.4
179.03386	2.3
191.05536	100.0
192.05861	3.3
195.06459	0.5
202.02519	0.4
215.05562	4.2
248.52274	0.5
261.11414	0.4
267.06592	0.5
293.08841	0.4
307.08313	0.6
308.08936	0.5
309.04144	0.5
325.07129	0.4
337.03500	1.1
342.10901	0.6
351.07184	12.2
352.07559	0.8
357.13409	5.3
358.13812	0.5
367.10629	0.5
369.06009	1.2
369.09796	23.0
370.10223	2.4
387.10672	1.1
393.43225	0.4
455.52765	0.4
561.15546	3.1
561.25250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46686	0.6
54.82853	0.6
59.01247	20.6
60.74915	0.6
61.98691	1.6
65.92233	0.6
66.29685	0.6
71.01247	3.9
71.54153	0.9
71.54511	0.9
73.02802	1.4
73.99341	0.6
78.95760	0.9
85.19298	0.6
89.02306	3.4
96.95911	1.1
99.23533	0.6
101.02332	4.5
113.02288	1.0
119.03380	1.1
149.85437	0.7
161.04489	1.5
167.58464	0.7
178.91444	0.6
195.40704	0.7
235.08267	1.7
253.09238	14.1
254.09656	0.9
263.20129	100.0
264.20486	8.6
277.21713	1.9
424.99719	0.8
534.74255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58091	1.5
57.03340	2.6
59.00981	2.6
59.01252	27.5
61.98685	2.5
63.96093	7.8
69.03339	3.1
69.53504	1.7
69.53833	12.6
71.01260	12.8
72.99169	5.3
73.02821	3.8
73.98197	2.0
74.98965	1.8
78.95791	3.1
79.95604	4.9
83.01260	3.6
85.02821	6.3
87.00758	4.3
89.02324	5.0
95.01277	1.8
96.95892	100.0
97.02837	5.8
97.06451	1.7
98.95490	8.2
101.02325	7.7
103.00305	1.7
109.02836	1.8
109.06471	9.5
113.02312	8.9
117.97174	6.1
119.03411	2.4
119.04930	2.0
119.08571	3.9
123.04366	2.3
125.02316	3.2
133.02794	1.9
135.04390	1.9
135.08005	1.7
135.98256	19.8
136.98973	2.4
153.05478	6.7
159.11719	2.8
161.04469	2.8
161.09595	1.7
169.10178	2.1
171.10220	2.3
171.11659	16.4
173.09630	4.8
179.05563	2.1
179.07074	2.4
185.09659	3.8
187.11203	7.1
189.12737	11.9
191.05492	6.6
203.10727	6.0
215.10721	29.8
216.11037	2.5
227.03169	2.1
233.11801	26.5
241.00311	2.3
244.50488	1.5
249.59886	1.8
253.09201	4.6
259.09711	17.6
277.10803	49.8
278.11099	3.7
297.93036	2.1
313.08463	35.5
325.20248	7.9
355.09497	6.5
428.49268	1.7
440.13940	1.6
501.30618	3.0
517.14728	3.0
561.30383	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	559.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.3
63.96113	1.7
69.03321	1.5
69.79740	4.2
71.01249	9.7
72.99176	1.2
73.02824	2.5
78.98470	5.8
79.40928	0.7
79.95609	8.9
80.96388	61.2
81.03355	1.1
83.01260	0.9
85.02822	3.1
87.00751	3.5
89.02330	2.3
94.97958	15.0
96.95896	8.4
97.02811	1.0
98.19868	1.1
99.00755	0.8
101.02320	2.8
106.97963	2.7
111.01908	0.9
119.03436	0.9
122.97472	3.3
124.76154	0.7
125.02332	4.9
125.03102	0.7
134.97476	5.3
135.04378	0.8
136.99088	1.4
148.99051	5.1
151.00287	1.9
152.98534	5.8
163.89404	0.8
164.98534	10.4
167.00049	0.7
206.99591	1.7
209.11798	3.2
225.00677	17.6
284.03241	1.5
285.04083	1.6
299.04425	2.3
377.68445	0.7
397.09207	5.3
447.09222	1.7
527.17572	3.7
554.91461	0.7
559.20673	100.0
560.20886	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	559.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40196	0.2
55.01753	0.7
56.32260	0.2
57.03323	2.1
58.00463	1.4
59.01247	80.9
60.01580	0.6
61.98703	0.4
68.99670	0.2
69.03305	1.2
71.01249	33.8
71.04886	0.3
71.35312	0.4
72.01592	0.5
72.01996	0.2
72.99177	2.2
73.02814	32.1
74.03148	0.3
75.00742	0.4
81.03318	0.3
83.01254	9.0
84.02008	0.2
85.02812	5.8
85.06455	0.7
85.15688	0.2
86.03151	0.2
86.92682	0.2
87.00745	1.5
89.02310	13.0
95.01264	1.7
96.95885	2.8
97.02821	0.7
98.02397	0.2
99.00739	1.2
99.04398	0.3
101.02314	25.0
102.02647	0.6
112.98651	0.2
113.02322	9.3
119.03384	4.4
125.02305	0.6
125.09581	0.2
131.03354	1.3
143.03391	1.4
146.81638	0.2
149.04474	1.1
154.43562	0.2
155.03372	0.7
161.04451	3.1
163.00406	0.3
167.14354	0.2
169.12247	1.1
169.35114	0.2
173.47420	0.2
179.05562	1.3
179.25450	0.2
186.30670	0.2
191.14285	0.2
203.05495	0.2
204.53244	0.2
211.16951	4.7
212.17117	0.3
237.14861	0.5
254.20398	0.2
255.15999	0.7
266.25778	0.2
266.55905	0.2
271.02490	0.9
279.23038	0.2
295.26456	0.2
299.02002	0.7
299.24442	0.2
319.22659	0.2
321.24377	0.5
337.23734	0.4
339.25311	2.7
340.25546	0.2
355.24673	0.3
358.45459	0.2
397.09109	1.7
455.30347	0.2
473.31000	1.2
481.27866	0.6
497.80038	0.2
499.28967	2.0
500.29620	0.3
517.30261	2.7
518.30402	0.2
541.30273	1.4
559.31171	100.0
560.31543	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	559.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91803	2.0
55.01759	5.1
56.72649	2.0
57.03321	3.3
58.68278	1.8
59.01251	70.9
60.71228	2.5
61.98707	11.3
64.64838	2.2
69.03328	100.0
71.01254	44.9
71.58524	3.5
72.99180	6.7
73.02809	14.2
74.02339	5.5
75.00732	4.1
79.95609	2.2
83.01233	4.6
85.02828	14.7
86.03740	2.1
87.00753	4.3
89.02313	21.4
95.01276	6.0
96.95892	49.2
97.02825	26.1
99.00757	37.0
101.02316	24.4
113.02358	15.8
116.03446	4.7
116.92728	9.8
117.01858	3.0
119.03391	7.5
125.02323	5.3
131.03424	2.6
135.04385	3.3
141.01779	7.6
149.00876	4.3
151.00298	6.1
161.04449	6.2
179.05470	4.3
185.00851	97.4
186.01189	2.7
191.05431	2.6
197.05919	2.4
199.03900	3.0
227.03516	2.9
231.02989	3.1
271.02460	16.7
271.04980	2.6
299.01987	9.3
300.02927	2.6
373.18637	15.0
374.18530	2.8
397.09271	54.8
397.14081	4.5
398.09564	7.9
415.19379	2.9
474.17737	2.6
499.28598	5.0
559.13477	3.4
559.25171	15.9
559.32349	11.4
560.23193	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06988	0.4
57.03324	0.7
58.32591	0.4
59.01251	3.4
63.96103	1.2
69.03317	1.0
69.79215	1.8
69.79628	0.7
71.01254	10.5
72.99169	1.0
73.02804	2.9
75.00736	1.2
78.98454	5.5
79.95600	10.1
80.96387	66.7
81.03319	0.9
83.01263	0.9
83.04899	0.6
85.02824	3.7
85.12315	0.4
87.00741	3.0
89.02322	0.9
94.97955	16.1
95.01262	1.0
96.95889	3.3
97.02818	1.8
99.00728	1.2
99.04369	0.8
101.02303	4.3
103.00219	0.7
106.97964	3.4
113.02267	0.6
122.97462	5.4
123.07977	0.5
125.02345	4.6
127.03889	1.4
129.01804	0.9
130.08607	0.4
134.97469	5.2
136.99023	1.7
146.97490	0.5
148.99034	5.5
151.00262	1.2
152.98524	8.2
164.98528	13.5
173.08136	0.5
179.00027	0.6
182.99545	3.4
195.05002	4.1
195.08890	0.4
206.99632	3.3
209.11737	4.2
225.00685	24.4
226.00893	1.0
243.01642	2.1
259.17197	1.1
263.16605	0.6
277.18179	1.0
295.11810	6.2
296.12067	0.6
299.04465	3.3
299.07626	0.6
305.17606	2.2
317.05371	0.6
337.12704	1.0
381.19388	0.6
397.09137	4.1
398.09869	0.6
527.18024	3.3
528.18286	0.6
559.20618	100.0
560.20972	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	559.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89251	0.3
55.01747	0.5
55.94213	0.2
56.23746	0.2
57.03313	0.8
59.01249	24.9
60.01575	0.3
61.98693	0.6
62.97593	0.3
69.03320	0.5
70.76833	0.7
71.01254	9.1
71.04884	0.3
72.99168	0.6
73.02818	3.1
74.73440	0.2
78.95784	0.4
79.95608	2.5
80.22599	0.2
83.01260	1.6
83.04897	0.3
85.02825	4.3
85.06460	0.3
87.00737	0.8
89.02324	1.9
95.01260	0.8
96.95886	100.0
97.95850	0.3
99.00751	1.0
99.04408	0.5
99.07993	0.4
100.57070	0.3
101.02319	4.7
112.98668	0.4
113.02325	3.1
118.96499	0.3
119.03387	0.7
125.02328	0.5
131.03329	0.3
133.02837	0.4
141.01750	0.3
143.03331	0.3
149.04460	0.3
151.00240	0.7
160.97594	0.6
161.04474	1.1
174.99187	0.3
195.13811	0.6
201.01968	0.3
203.03482	0.6
207.59227	0.2
211.16994	0.8
225.05386	0.3
227.03429	0.6
231.02930	0.9
255.02977	0.6
269.10721	0.5
271.02457	4.7
271.05084	0.4
272.02939	0.5
297.10266	0.5
299.01920	2.3
299.11728	0.7
300.02600	0.4
311.11682	1.4
311.25995	0.8
323.18683	0.6
325.09781	0.6
337.23602	0.3
347.11765	0.4
355.25000	0.5
375.20474	0.3
395.13919	1.1
397.09210	6.0
398.09467	0.8
413.14880	1.8
417.21387	1.5
455.15973	2.9
455.30026	0.5
473.16980	1.9
473.22955	0.3
473.31265	1.8
481.28546	0.3
499.29068	1.9
515.18054	0.4
517.30054	1.0
541.30170	1.0
559.31232	25.2
560.31512	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20694	1.4
52.04956	1.6
52.38404	1.2
55.01752	2.4
55.59776	1.2
57.01960	1.3
57.03310	3.9
58.00452	1.6
59.01250	100.0
60.01596	1.3
64.26812	1.3
69.03333	2.3
70.81599	2.0
70.81927	2.3
71.00890	2.4
71.01252	39.2
71.04922	1.3
72.99177	3.8
73.02433	2.3
73.02818	31.4
83.01256	9.8
83.04877	4.6
84.36609	1.3
85.02819	9.7
87.00739	4.2
87.04372	1.5
89.02311	13.2
95.01251	1.9
96.95892	26.7
97.02834	2.7
97.16190	1.4
98.95445	1.6
101.02321	27.9
107.04904	4.2
112.98715	1.5
113.02335	12.7
119.03412	6.8
125.02319	3.9
131.03333	2.1
135.04369	3.0
143.03366	2.2
151.00259	4.6
158.02235	1.6
161.04427	7.4
173.09610	2.3
175.11201	3.1
177.01730	1.6
179.05417	1.6
191.05435	1.3
191.10757	2.0
201.09200	1.5
211.17024	2.4
219.10211	3.6
227.03416	1.5
245.08330	1.9
263.09229	4.5
271.02255	1.6
288.87106	1.3
295.11597	2.1
300.02740	1.9
305.10352	1.3
305.17636	1.9
311.11252	9.3
324.02878	2.2
337.11578	1.4
337.23813	2.9
339.25455	2.2
396.08893	2.1
397.09351	18.9
398.09521	2.0
412.61292	1.6
499.29175	8.6
517.30103	3.7
523.35193	7.2
559.14246	5.1
559.31335	93.7
560.14368	1.8
560.31897	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	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01220	0.6
62.96270	0.5
66.33102	0.4
67.38448	0.6
71.16428	0.6
78.95781	34.4
110.98409	1.7
121.99988	1.3
140.01085	7.3
152.99507	2.9
167.01064	4.3
196.03734	14.7
214.04800	2.7
220.62498	0.4
222.00241	0.5
236.10397	0.5
277.21707	1.5
279.23285	100.0
280.23666	10.4
296.03860	0.6
326.10632	0.4
372.57904	0.4
389.25607	0.5
465.92859	0.5
476.27841	60.8
477.28134	8.8
558.26959	3.5
559.17810	1.9
559.26172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.7
59.01249	38.3
61.98697	1.4
65.00194	8.6
69.03321	0.8
71.00888	1.2
71.01257	14.8
71.35787	1.7
72.99186	1.6
73.02805	6.4
79.95598	4.3
83.01247	7.3
85.02824	5.0
87.00735	2.9
89.02309	7.5
95.01260	1.9
96.95883	34.1
97.02816	1.4
98.95452	2.4
99.04354	0.9
101.02318	9.3
107.01249	11.5
109.02857	1.1
111.00755	1.9
113.02328	7.0
116.92712	1.5
119.03356	1.5
121.02834	1.7
123.00807	0.9
124.01546	4.2
125.02325	29.3
133.02795	1.0
135.04457	1.5
137.02429	1.0
143.04692	0.9
149.02362	1.5
151.00267	45.0
151.03940	1.2
152.00850	2.6
159.04393	0.9
161.02333	2.9
161.04446	3.2
161.05952	3.2
165.01830	3.1
167.03357	1.3
169.01311	2.8
174.03056	1.7
175.03828	1.3
177.01845	4.3
177.05484	4.8
179.05566	2.0
183.04431	1.5
185.11783	1.9
187.03920	2.7
188.04723	2.4
189.01851	3.0
189.05418	2.1
190.02592	1.4
191.03406	7.9
193.01274	1.7
199.07556	1.6
201.01901	2.3
201.05566	4.6
202.02573	1.3
202.06282	1.5
203.03368	2.6
203.07062	2.3
205.04958	3.3
209.06102	1.5
211.03944	1.2
213.01860	1.5
213.05432	1.6
214.02611	3.1
215.03429	3.8
215.07111	5.0
216.04254	1.5
216.07819	5.8
217.01318	1.8
217.08638	2.8
225.05368	1.6
227.03465	5.8
228.03999	1.2
229.05099	4.1
230.02220	1.2
231.02892	2.7
231.06618	6.3
232.06894	1.1
241.04967	5.5
241.08604	1.0
242.02139	1.4
242.05777	3.8
243.02844	1.8
243.06538	6.2
244.07312	7.6
245.04401	1.1
245.08041	5.2
251.03381	1.8
253.05035	3.7
254.05641	1.2
255.03001	8.2
256.03641	2.5
267.02866	1.3
267.06461	1.7
269.04510	2.1
269.08142	2.3
270.05313	7.8
271.02493	10.0
271.06082	10.5
272.03168	2.0
281.04803	1.4
281.08032	2.0
284.03214	1.4
285.04041	1.3
293.08276	1.1
294.05316	2.5
295.02670	2.3
295.06039	1.6
295.09622	1.7
297.03940	5.2
299.01938	9.9
299.09189	1.2
300.02661	8.6
307.09702	1.3
309.07587	1.7
311.01971	1.8
311.05594	2.8
311.09174	1.4
313.03604	4.2
323.09158	4.9
324.02695	13.8
324.09558	1.3
325.03540	19.8
325.07184	1.7
326.04028	2.2
329.10184	1.3
333.07648	2.1
337.23901	2.7
339.04907	2.2
339.08728	2.3
340.02234	2.6
341.02856	3.2
349.06900	1.1
350.07843	1.5
351.08786	2.1
353.03027	10.6
353.06750	2.0
353.10330	2.0
361.07135	6.8
367.04620	1.0
367.08286	9.2
368.08981	37.9
369.09390	5.8
378.07510	2.6
379.08212	21.8
379.84479	1.0
380.08655	2.6
396.08444	100.0
397.09183	83.1
398.09521	8.3
433.11325	4.3
462.07605	1.0
499.28864	4.8
517.30005	2.0
523.34662	2.5
531.15106	0.9
559.14545	95.9
559.31549	19.7
560.14648	22.6
560.31464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56224	1.4
54.52394	1.4
55.93100	1.4
59.01250	100.0
61.98676	1.9
69.03345	2.4
71.01254	33.3
71.04903	3.7
71.58380	1.6
71.58765	1.3
72.99171	2.7
73.02817	21.7
73.79173	1.4
83.01266	8.7
85.02829	8.1
87.00755	5.6
89.02300	8.8
95.01297	2.0
96.95885	10.1
98.45554	1.4
99.00760	3.4
101.02326	27.4
101.02987	1.8
112.36855	1.3
112.98676	2.2
113.02339	9.3
115.03889	3.1
119.03413	2.5
123.04421	1.3
129.05493	7.9
129.06377	1.5
135.04428	1.7
143.03362	1.7
153.01859	1.5
161.04446	4.9
217.12259	1.7
233.07744	1.6
273.18762	2.1
283.97162	1.4
291.19675	15.1
309.20612	2.1
328.05923	3.0
453.24530	2.0
471.25537	3.0
489.73553	1.5
497.27557	3.5
513.27094	40.7
514.27380	6.8
557.21863	2.0
557.29779	32.8
558.29767	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	557.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82652	0.4
59.01233	1.0
69.45204	3.2
78.95763	0.6
84.38180	0.3
96.95939	0.4
98.20532	0.4
99.08037	2.4
103.39917	0.4
105.97839	0.3
111.08071	0.4
129.09099	1.1
139.11252	0.5
141.12756	2.3
155.14349	0.9
167.00989	0.4
167.84686	0.3
226.45523	0.3
239.20154	0.3
241.21658	1.3
269.21207	21.1
270.21500	2.0
277.21848	0.5
285.20804	1.8
287.22266	100.0
288.22598	8.2
393.19553	0.8
557.44202	75.0
558.44525	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	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38920	0.3
59.01232	1.1
62.20811	0.4
62.96267	0.4
65.97820	0.3
70.79746	1.1
78.95773	13.8
91.75589	0.4
96.95883	0.4
96.96804	0.3
122.00001	0.4
136.95667	0.4
140.01106	2.8
152.99475	2.4
171.00644	0.4
196.03726	4.3
214.04793	2.8
261.22314	0.4
279.23273	100.0
280.23605	7.5
476.27798	30.1
477.28098	3.6
498.25204	0.6
558.27252	2.7
559.27069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.9
59.01249	37.5
60.01570	1.2
61.98690	2.7
62.91906	0.8
66.66921	0.7
67.01771	1.1
69.03370	0.7
69.32835	1.7
69.33231	6.2
71.01247	8.0
72.22781	0.7
72.99177	1.5
73.02831	4.5
75.00766	0.8
78.95761	0.8
79.95641	1.0
83.01262	1.0
83.04886	3.4
84.85050	0.8
85.02818	3.3
85.03290	0.6
87.00736	2.9
89.02305	2.6
91.01752	0.8
93.03334	2.0
95.04874	1.6
96.95329	1.3
96.95895	9.5
97.02840	3.1
98.89786	0.7
101.02349	4.2
106.04112	3.7
107.04910	9.1
108.02053	3.2
109.02820	1.1
111.04402	23.5
112.04705	1.0
112.98679	2.4
113.02347	3.9
115.03859	0.9
116.92748	0.9
119.03381	1.3
119.04914	2.9
121.02794	2.8
121.06450	0.8
123.04415	4.4
125.02335	1.3
131.04903	1.7
132.30461	0.8
133.02840	11.8
135.04405	2.9
135.08046	1.1
140.95357	0.7
143.03391	1.0
147.04417	3.0
147.08078	1.9
148.05188	1.2
149.00786	2.9
151.03911	23.6
151.07544	1.5
152.04362	0.9
157.10156	1.2
161.02345	0.8
161.04442	1.1
161.05815	0.7
161.09651	1.1
161.26956	0.8
163.03902	1.1
163.07571	10.3
165.05507	9.8
171.11653	1.5
173.13283	13.1
175.03922	16.4
175.07530	3.8
175.11111	1.5
187.07735	0.8
187.11188	1.0
189.09119	2.1
189.12737	1.8
193.05016	13.0
199.11185	5.5
203.07065	2.2
204.07727	0.8
205.04967	2.6
217.12286	83.1
218.12671	4.2
223.06049	1.1
232.07417	1.3
233.08029	0.8
243.10213	2.3
247.09715	1.3
261.11301	100.0
262.11609	7.4
275.12930	1.2
291.19449	1.0
303.12320	2.6
389.15915	2.0
407.17059	2.5
497.27139	1.2
513.26904	1.7
557.29700	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	556.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25072	0.8
56.64180	0.8
59.01240	4.7
71.01247	3.3
71.57661	1.1
71.58028	1.0
80.96372	1.3
84.48767	0.8
85.02773	0.8
88.62273	0.8
89.02309	1.5
90.30218	0.8
101.02335	4.2
111.00719	0.8
119.03407	1.3
127.59588	0.9
161.04424	1.2
166.69363	1.1
235.08200	1.8
253.09245	15.5
277.21719	100.0
277.75577	1.2
278.22049	9.8
279.23157	1.7
476.94095	1.0
504.31171	1.4
544.92499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87097	0.7
59.01254	4.4
59.76194	0.7
60.09492	0.6
69.25922	7.5
71.01250	3.5
73.37177	0.7
78.95770	1.4
80.96388	0.8
85.02873	0.9
89.02305	2.9
94.98020	0.8
101.02323	2.7
112.48334	0.7
112.91219	0.8
113.02332	1.5
119.03396	0.9
133.06306	0.7
148.55196	0.7
155.66463	0.7
161.04500	1.0
235.08171	2.5
253.09259	14.9
254.09688	0.8
277.21710	100.0
278.22049	9.0
556.26520	0.9
570.26611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
58.00472	0.8
59.01245	7.9
61.98717	0.8
71.01259	2.2
71.58799	0.7
73.02827	1.5
83.04881	3.8
84.83699	0.4
85.02837	1.5
87.00721	0.8
93.03340	1.2
95.04896	1.2
96.95888	1.5
97.02805	2.5
101.02316	1.3
105.07006	0.8
106.04115	5.4
107.04901	3.0
108.02056	2.1
111.04395	25.6
112.04698	1.0
113.02332	1.8
117.07023	0.7
119.04890	3.4
121.02820	0.7
121.06472	1.3
122.03628	1.0
123.04398	5.6
131.04880	0.9
131.08543	0.9
132.02045	0.9
133.02843	18.1
134.03206	0.8
135.04448	0.7
135.08109	1.1
138.03267	0.5
142.68520	0.5
145.02811	0.8
147.04399	3.3
147.08061	0.9
148.05162	1.0
149.06018	1.2
151.03912	7.9
151.07576	1.3
157.10149	0.7
161.05914	3.0
163.03989	0.7
163.07535	8.4
164.07808	0.6
165.05481	14.9
171.11623	0.6
173.13258	14.7
173.14647	1.0
174.13686	1.1
175.03918	31.9
175.07538	7.6
175.11188	1.2
176.04221	1.3
187.11243	1.2
189.09158	1.5
189.12715	1.2
193.04985	25.6
193.06767	1.3
194.05338	1.6
199.11212	4.2
202.09946	0.7
205.04997	3.1
217.12277	89.5
218.12592	5.4
223.05983	1.7
253.07042	0.8
261.11285	100.0
262.11618	7.2
267.95197	0.6
295.08188	0.9
297.63608	0.6
303.12341	1.1
385.45135	0.6
415.64297	0.5
419.14673	0.6
464.67770	0.6
510.80966	0.5
513.26819	1.1
548.67542	0.6
557.29498	1.1
580.30145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19603	0.2
59.01250	100.0
60.01583	1.1
63.92306	0.2
69.03313	0.2
69.78699	0.4
69.79111	0.8
71.01254	0.6
71.69062	0.2
73.02827	0.2
78.95782	0.3
85.02863	0.2
87.00708	0.2
96.95895	0.5
99.00790	0.3
101.02324	0.5
101.94121	0.2
112.98651	0.3
133.02866	0.2
172.28993	0.2
178.02678	0.3
217.00314	0.6
225.21153	0.2
240.85617	0.2
263.24417	0.2
289.30029	0.2
344.95227	0.2
346.77725	0.2
453.28409	0.4
466.18790	0.2
503.56696	0.2
555.33038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.1
60.89793	0.5
61.98700	0.6
68.30957	0.4
69.53185	1.4
69.53605	2.0
70.61240	0.5
71.01286	0.5
78.95786	0.8
83.01266	0.5
96.95901	1.5
112.98699	0.7
121.02835	1.1
133.02843	1.4
133.19246	0.4
135.04433	0.6
158.65715	0.5
161.82114	0.4
174.99210	1.4
177.01900	0.7
178.02611	0.9
217.00221	6.2
218.00595	0.5
280.08563	0.4
297.01407	0.4
363.69070	0.5
374.99255	1.0
555.26581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.4
71.57774	1.4
75.45151	1.0
78.95773	51.2
80.96424	1.3
83.04927	0.9
96.95871	3.4
96.96832	3.2
140.01103	4.8
152.99472	8.7
171.00519	5.3
196.03735	4.4
214.04787	4.0
217.00217	2.0
222.00157	0.9
260.68195	0.9
277.21707	100.0
278.21976	6.8
305.76312	1.0
474.26242	53.4
475.26602	6.3
496.23016	2.9
556.25519	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77365	0.8
59.01238	4.9
70.72852	1.9
70.73232	1.3
78.95770	42.3
93.03333	2.6
96.95896	2.5
96.96852	1.0
103.95520	0.8
122.00008	1.3
133.02831	1.1
134.98396	1.3
140.01076	10.1
152.99498	3.7
157.33147	0.8
173.04407	1.1
188.27544	0.9
196.02002	1.6
196.03726	20.0
212.15205	1.0
214.04872	3.0
215.05524	1.0
217.00278	1.2
221.04662	0.8
256.82553	0.8
275.20206	1.4
277.21713	100.0
278.22086	9.8
279.94806	0.9
286.77841	0.9
323.61871	1.0
338.01190	0.9
351.07300	1.2
352.07358	1.1
474.26242	75.5
475.26669	8.1
556.25598	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.29337	0.4
52.35775	0.5
59.01239	1.6
63.96109	1.4
69.03326	0.8
69.46771	4.4
69.47102	0.7
71.01247	8.6
73.02822	1.9
75.18306	0.5
78.98454	7.5
79.95596	12.0
80.96385	85.5
81.03317	1.1
85.02827	3.9
87.00748	3.8
94.97957	20.8
94.98566	1.2
96.95875	1.1
97.02833	1.9
99.00736	1.2
99.04362	0.5
101.02309	2.7
106.97952	4.6
108.93260	0.4
113.02291	0.5
118.82758	0.5
122.97451	4.4
125.02316	3.8
127.03848	1.0
134.97464	5.8
136.98999	1.9
148.99030	7.2
152.98538	7.3
164.98528	14.4
167.00131	1.0
190.66969	0.5
206.99637	2.8
225.00676	19.8
226.01070	0.6
255.23274	3.4
266.09354	0.5
299.04434	3.2
326.60504	0.5
555.28381	100.0
556.28699	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	555.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01246	1.1
63.96106	1.9
68.45818	0.5
71.01247	8.6
73.02811	1.6
76.41447	0.5
78.98459	8.1
79.95604	11.2
80.96387	79.8
81.03308	1.2
82.45152	0.5
85.02818	3.6
87.00729	3.4
94.97954	17.1
96.95901	1.9
97.02820	1.7
98.20584	0.9
99.04332	0.7
101.02304	2.8
106.97965	4.2
117.40916	0.5
122.97459	4.0
125.02306	3.5
127.03915	1.1
134.97467	5.1
136.99011	1.5
148.99039	7.5
152.98538	6.6
162.10666	0.5
164.98537	14.3
206.97778	0.5
206.99596	3.1
207.78171	0.5
225.00671	18.9
226.01126	0.9
237.83493	0.6
239.02689	0.5
243.01823	0.6
255.23251	3.6
299.04431	4.7
383.05203	0.6
555.28381	100.0
556.28754	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	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
63.96109	1.1
69.03281	0.5
70.33099	0.9
70.33486	0.9
71.01259	7.0
72.99168	0.7
73.02805	2.1
78.98466	5.6
79.95606	9.1
80.96388	69.0
81.03345	0.7
84.25914	0.5
85.02833	3.1
87.00743	2.3
94.11059	0.4
94.97956	15.5
96.95879	1.3
97.02819	1.6
97.77435	0.5
98.19801	0.5
99.00751	0.8
101.02306	2.4
106.97970	3.2
122.97465	3.0
125.02318	3.2
128.07234	0.5
134.97484	5.4
135.38249	0.4
136.99005	1.7
148.99043	6.6
152.98520	5.5
164.98537	12.8
185.69287	0.6
206.99640	2.8
225.00687	18.5
225.50970	0.5
255.23318	2.8
263.42108	0.6
264.54245	0.6
299.04453	2.7
555.28394	100.0
556.28741	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	555.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01250	5.0
60.01591	0.1
61.98701	0.5
65.35815	0.1
66.37960	0.1
69.03339	0.1
71.01251	1.0
71.14472	0.2
72.99191	0.2
73.02803	0.5
75.00732	0.1
78.19678	0.1
78.95815	0.1
83.01260	0.2
85.02818	0.5
85.89667	0.1
87.00758	0.6
89.02327	0.3
91.05408	0.2
95.45285	0.1
96.95885	0.6
99.04417	0.1
101.02317	0.5
107.04878	0.5
108.02072	0.2
109.02831	2.2
112.98738	0.2
113.02303	0.5
116.92767	0.2
117.03321	0.2
119.03396	0.2
134.03647	1.8
135.04410	100.0
136.04747	4.1
137.02338	6.4
138.02681	0.2
146.04503	0.1
149.00816	0.4
153.01788	0.2
153.05502	0.1
161.04407	0.2
179.03429	0.2
197.04318	0.1
213.14926	0.1
217.00194	0.3
255.07716	0.1
261.11258	0.2
295.09885	0.1
320.49411	0.1
333.20700	0.1
341.08655	0.1
351.21597	0.2
493.24100	0.2
555.24225	3.8
556.24188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
62.20504	1.6
62.87990	1.4
69.40523	10.8
69.40936	4.0
71.01254	30.1
73.02822	16.5
78.95774	3.9
83.01292	4.3
83.04890	1.7
85.02833	5.8
87.00738	2.4
89.02339	13.1
95.01236	2.0
96.95904	15.7
101.02321	22.8
107.38510	1.8
112.98712	1.9
113.02336	15.9
119.03369	5.6
125.02308	2.3
131.03394	2.7
133.02852	2.4
143.03418	1.8
147.26265	1.6
149.04488	3.8
151.00238	2.4
161.04462	5.4
179.05531	4.5
191.05458	2.0
268.86472	1.6
285.04083	8.8
383.00684	3.2
398.43762	2.0
451.23215	8.7
452.24017	2.1
468.14157	1.8
495.09445	3.1
495.29749	3.3
511.25430	5.4
555.05908	4.7
555.27917	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	555.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06964	0.4
53.03462	0.4
57.03325	0.7
58.00468	0.6
59.01244	9.7
64.69524	0.4
69.03313	0.7
69.24270	1.5
69.24691	2.8
71.01248	10.2
72.58584	0.4
72.99193	1.0
73.02815	4.7
75.00746	1.1
78.95773	0.6
79.05406	0.5
79.95618	0.6
80.96380	0.7
83.04886	4.1
85.02805	2.0
87.00755	1.1
89.02318	11.6
93.03337	0.4
93.06973	0.4
95.01292	0.4
95.04902	0.9
96.95879	12.6
97.02826	2.8
98.95448	0.5
99.00761	3.0
101.02319	12.6
105.06945	0.6
111.04397	22.8
112.04778	0.7
113.02308	1.4
115.00287	0.4
115.03928	0.6
117.07008	1.0
119.08562	0.5
121.02818	0.6
121.06486	1.1
122.03619	0.5
123.04420	1.6
125.02338	6.1
125.05968	0.8
128.01674	0.5
129.98555	0.4
131.03375	1.8
135.04430	0.5
135.08096	1.0
139.03917	1.0
142.11150	0.4
143.03392	1.0
145.10127	0.8
146.08200	0.5
147.08064	1.1
148.05190	0.8
149.00803	1.1
149.04468	5.5
149.05727	0.6
151.07538	1.5
157.10181	1.0
159.08087	0.5
161.04474	0.5
161.06041	0.4
161.09673	0.5
163.07558	5.6
165.09169	0.7
171.11674	0.7
173.09749	0.4
173.13260	12.0
174.13612	0.8
175.02425	0.5
175.07553	5.7
175.11215	1.1
185.09598	0.5
187.11171	1.1
189.09145	1.6
189.12805	1.1
191.05489	1.5
191.11195	0.4
199.11230	3.4
201.09149	0.5
203.14325	0.5
213.12766	0.7
215.10660	0.5
217.12280	74.4
218.12599	4.6
231.13936	0.6
241.12320	0.7
243.10210	1.0
254.98116	1.5
259.13324	1.2
261.11288	100.0
262.11655	7.5
275.07813	1.0
275.12921	2.4
283.19028	0.5
285.11221	1.3
289.14642	0.4
293.08780	1.9
303.12360	11.7
304.12790	0.7
333.13470	2.4
345.13379	0.4
379.79590	0.4
386.39563	0.4
495.26270	0.5
537.64636	0.4
555.26605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.03310	0.8
59.00948	0.5
59.01245	9.2
69.03333	0.8
70.55571	1.0
71.01250	27.3
72.01569	0.7
72.99174	1.4
73.02820	2.2
75.00746	0.7
78.95744	0.4
79.95596	7.6
80.96385	23.0
83.01253	0.7
85.02814	7.0
87.00748	5.4
89.02325	1.5
90.98454	0.8
95.01244	2.3
96.95886	20.7
99.00760	0.8
101.02308	1.1
103.00246	4.3
109.02827	0.4
111.00727	0.4
113.02325	14.8
115.00253	19.2
116.00555	0.5
122.97426	0.9
123.08062	0.4
129.01857	0.8
135.04338	0.6
138.96953	4.3
139.00146	0.4
149.00813	0.8
157.01315	2.5
166.96451	2.8
175.02390	31.9
176.02721	0.6
177.05522	0.4
192.98045	7.8
198.74614	0.4
209.98061	0.4
210.99139	0.5
236.97047	1.1
254.98123	100.0
255.98454	3.3
261.11331	0.8
336.14957	0.5
555.27740	0.6
556.29675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45478	0.4
59.01237	1.4
70.64618	0.7
70.64971	0.7
71.01255	1.5
78.95776	24.1
78.98460	1.1
79.95601	1.5
80.96388	9.8
81.96337	0.5
82.95964	0.5
85.02815	0.7
86.55901	0.3
91.79668	0.4
94.97952	2.4
106.97990	0.5
107.36903	0.3
117.46700	0.4
122.98374	0.4
134.97491	0.9
134.98436	0.4
148.99071	0.8
151.45345	0.4
152.98672	0.4
152.99533	3.4
164.98512	1.6
168.04231	4.1
179.75380	0.3
217.00125	0.5
224.06870	9.3
225.00696	1.9
225.07309	0.5
226.01006	0.5
242.07974	2.5
279.23270	100.0
280.23642	8.6
454.34277	1.0
471.34897	1.3
472.35190	2.9
504.30954	62.8
505.31259	7.6
553.26770	0.4
553.34961	0.8
554.27191	16.6
554.35382	3.3
555.27045	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.5
61.98681	0.2
69.37798	1.6
78.95778	5.7
80.96384	0.6
96.95886	0.2
111.93526	0.2
145.05730	0.2
152.99477	1.5
168.04263	1.0
217.00200	0.3
224.06898	1.0
242.07942	2.1
255.23277	100.0
256.23611	7.8
471.34769	0.6
472.35052	2.9
480.30945	29.1
481.31363	3.5
504.30972	0.2
554.35480	2.2
555.28381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	21.8
68.01184	0.3
69.82764	0.2
70.45308	0.6
70.45714	0.5
71.01241	0.8
78.95772	19.4
78.98450	0.4
78.99693	0.2
79.95599	0.8
80.96386	5.8
85.02821	0.3
87.99085	0.2
94.97980	1.6
96.96824	0.4
106.20181	0.3
109.44111	0.2
122.97491	0.4
122.98381	0.4
134.97450	0.7
148.99113	0.5
152.98463	0.7
152.99483	3.1
164.98537	1.0
168.04216	3.2
224.06883	8.1
225.00665	1.0
237.98209	0.3
242.07980	2.0
255.23251	100.0
256.21594	0.2
256.23593	8.8
480.30927	46.2
481.31271	7.6
555.28357	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	553.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01579	0.8
71.01257	0.3
71.28208	0.4
72.99216	0.2
78.95795	0.6
84.56788	0.1
85.02850	0.2
96.95902	0.5
101.02301	0.3
174.99101	0.2
192.16867	0.1
249.07780	0.2
274.93454	0.2
301.79050	0.2
408.84152	0.2
451.27222	0.5
493.28137	0.3
553.31396	0.5
570.76953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.1
62.25526	0.2
64.78945	0.2
69.38324	0.4
69.38731	1.5
71.01260	0.3
76.52434	0.2
78.95775	6.6
78.98449	0.3
79.95585	0.3
80.96387	2.7
87.00752	0.2
94.97952	0.5
96.95898	0.6
120.08781	0.2
122.97438	0.2
125.72346	0.2
134.97549	0.2
148.99072	0.2
152.99492	1.1
153.99951	0.2
168.04207	1.5
174.99236	0.2
198.66542	0.2
216.33781	0.2
217.00270	0.7
224.06883	1.0
225.00658	0.2
242.07954	2.9
261.22336	0.4
265.14844	0.3
266.15140	0.4
277.22015	0.2
279.23273	100.0
280.23599	8.3
425.48047	0.2
504.30942	30.1
505.31207	4.7
522.98083	0.2
553.41528	0.2
554.27234	2.9
554.41156	0.3
555.27148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02922	0.7
56.06699	0.7
59.01251	7.8
63.96106	1.0
69.58508	3.7
69.58916	1.2
71.01249	7.8
73.02833	1.9
75.19649	0.7
78.95775	7.7
78.98458	6.8
79.95607	10.0
80.96388	72.5
81.03327	1.6
85.02818	2.3
87.00734	2.2
94.97953	16.1
96.95877	2.8
97.02834	2.3
97.04301	0.7
101.02349	4.1
102.71616	0.8
106.97948	3.8
117.88005	0.7
122.97470	6.3
125.02322	2.3
127.78477	0.9
134.97481	5.3
136.99016	2.0
146.91725	0.7
148.99049	5.6
152.98508	8.3
152.99553	1.4
164.98546	12.4
182.99596	2.0
188.13100	0.8
206.99632	3.2
224.06926	1.4
225.00693	19.4
238.91986	0.7
243.01714	2.0
253.19356	0.7
253.21687	18.4
254.22032	15.5
274.51566	1.0
299.04434	2.1
357.50146	0.7
451.32004	1.4
453.33685	3.4
471.34860	2.8
477.27728	1.2
478.29456	3.7
479.29626	14.5
480.30157	1.2
553.26874	100.0
553.34302	4.4
553.41144	3.3
554.27185	14.2
554.34906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80743	0.3
57.03327	0.6
59.01248	100.0
60.01583	1.2
61.98703	1.1
70.74566	0.3
71.01249	3.3
71.58360	0.4
72.99178	3.9
73.02814	2.0
78.95795	1.2
83.01279	0.7
83.04871	0.6
84.99184	0.9
85.02823	1.1
87.00745	9.2
89.02329	1.4
96.95882	2.9
101.02322	3.1
103.00273	1.1
105.07121	0.4
109.02876	0.5
111.00770	0.6
112.98688	10.4
113.02361	1.3
117.03358	0.9
119.04911	14.6
120.05235	0.4
121.02847	0.6
121.07435	0.4
123.04492	0.4
125.02312	0.5
133.02858	1.4
133.06473	0.4
134.03668	1.9
135.04395	2.0
137.02383	0.8
143.05006	0.4
145.01334	1.0
145.02856	3.9
147.04448	3.5
149.00832	6.5
149.04686	0.4
149.05984	0.5
159.04402	0.8
160.01660	0.5
161.02362	0.5
161.04488	1.1
161.05908	0.8
162.03157	0.5
163.03915	11.8
164.04340	0.7
166.81650	0.4
171.00574	1.1
171.04419	0.5
173.05991	0.7
174.06769	0.7
175.03912	3.1
177.01863	0.9
178.02666	1.3
179.03279	0.7
182.03595	0.5
186.06804	1.8
187.07579	3.3
188.07919	0.4
200.08313	0.5
201.05533	2.4
201.09222	1.4
203.03439	7.6
204.03877	0.7
211.07600	0.9
213.09183	0.7
214.06313	3.5
215.03493	1.0
215.07109	2.8
220.03883	0.5
229.08641	3.3
230.09460	1.5
231.10300	1.5
231.13855	0.6
233.04364	0.4
247.09981	0.5
259.02521	0.5
262.12430	0.4
271.17380	0.4
274.08395	1.9
275.09241	2.1
277.03516	9.4
278.04126	0.9
306.10950	0.9
311.12927	0.6
317.10196	0.6
327.16354	0.5
349.20346	0.8
371.15051	3.5
389.16064	2.8
390.16476	0.4
391.17639	0.6
403.17612	1.4
421.18567	0.6
507.35297	2.5
534.41400	0.4
553.26428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03306	1.3
58.00446	1.1
58.74759	0.9
59.01247	100.0
61.98680	1.1
69.03327	1.4
69.25457	11.1
71.01251	19.9
72.99174	10.5
73.02818	10.4
75.00744	1.4
78.95743	1.7
79.95599	7.3
83.01255	5.3
84.42650	0.9
85.02810	10.0
87.00747	9.8
89.02309	10.4
95.01245	2.6
95.95107	2.9
96.95883	54.0
97.02752	1.3
98.19753	2.2
98.95444	1.2
99.00756	3.5
99.05443	1.4
100.80325	1.0
101.02318	13.0
103.00237	2.8
106.44241	1.0
108.02037	2.4
109.02806	2.6
109.06436	1.3
111.00732	1.6
112.98667	5.3
113.02321	9.0
119.03382	3.4
119.04893	4.5
123.04467	1.5
125.02360	1.6
128.03404	2.8
134.03642	1.1
135.04384	9.7
135.72232	1.0
137.02275	1.1
143.03400	1.5
143.04459	3.4
145.02890	1.7
147.04436	2.0
149.00790	8.4
149.06055	1.4
152.01044	1.5
153.01790	1.7
160.00525	1.2
161.04478	2.2
163.03925	6.5
171.04385	3.1
174.06741	1.2
175.03893	2.3
175.07533	1.9
179.03384	5.8
179.05496	1.1
186.06789	1.3
187.07561	1.8
187.11205	1.0
199.07620	1.3
200.04836	1.7
200.08372	2.6
201.05453	3.9
203.03398	4.1
203.07028	2.1
211.07567	1.8
214.06252	1.5
215.06917	2.7
217.08557	1.7
218.09457	2.0
229.08664	3.5
230.09387	3.3
232.07344	3.5
247.09735	3.5
254.07726	1.4
261.18539	8.7
272.08771	1.2
277.03409	3.0
289.18115	1.9
306.07654	8.1
327.16138	1.9
329.13788	1.1
345.17087	1.7
371.14801	1.3
376.40634	1.0
389.16110	9.9
405.22879	7.1
406.22931	1.4
421.18634	2.8
423.23816	20.4
424.24240	2.3
509.23862	38.5
510.24084	4.7
553.12286	15.3
553.25311	3.3
554.12744	4.0
554.21088	1.5
564.78595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.9
61.98710	2.0
62.94431	1.0
71.01257	2.3
71.07166	2.5
72.99183	1.3
78.95795	1.8
79.95598	2.7
85.02851	1.1
87.00755	3.9
93.03340	5.9
95.04910	1.3
96.95885	31.3
98.95486	3.6
98.96300	1.4
107.04893	2.8
108.02061	2.1
109.02862	2.3
112.98689	2.7
119.04907	3.2
121.02841	19.9
122.03632	17.1
123.04415	3.8
124.01602	1.9
131.04961	1.1
132.02071	1.9
133.02846	4.2
134.03645	2.5
135.04433	22.3
136.01558	24.2
137.02364	11.4
145.02831	1.8
146.03630	5.6
147.04437	4.4
149.02351	49.3
149.05959	2.9
150.03136	80.2
151.03923	28.6
154.02641	1.6
160.05092	1.6
161.02414	1.4
161.05991	3.9
162.03148	9.8
163.03905	10.2
164.04692	12.6
165.05489	83.4
166.05818	2.1
172.05237	3.9
175.03923	10.3
176.04559	2.0
177.05489	17.5
178.05794	1.1
179.07007	7.2
180.04237	5.0
187.03900	1.5
189.05479	6.0
190.06291	13.7
191.05492	1.8
195.04784	2.5
195.06573	39.1
196.07001	1.8
197.06049	1.6
205.08673	1.5
213.05487	1.5
225.05519	7.9
226.06226	2.2
237.07626	2.2
240.07910	6.2
241.05023	4.2
251.07140	1.4
252.04384	2.0
255.06717	1.7
256.07327	3.4
263.06879	1.5
271.09842	8.9
281.46072	1.1
283.09753	1.2
299.09305	6.7
303.12363	10.1
304.12399	1.4
311.09317	1.9
313.06967	1.1
313.10498	1.5
327.12326	8.9
339.12402	1.6
342.11087	2.1
343.11850	5.5
357.13385	20.2
357.17511	1.8
358.13876	2.5
468.14041	1.3
475.17752	9.6
487.17548	1.9
490.16101	1.6
505.18698	100.0
506.19131	13.7
523.18994	2.0
553.20703	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	553.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47303	1.0
59.01246	9.2
61.98704	2.0
65.52036	1.1
71.01250	2.3
72.99149	1.3
78.95776	1.6
79.76002	1.1
79.95604	1.7
82.70677	1.1
85.02776	1.0
86.89285	1.0
87.00759	3.1
93.03343	9.0
95.01246	2.2
95.04931	1.2
96.95889	42.5
98.95471	4.5
101.02354	2.3
107.04899	1.0
108.02071	3.6
109.02840	2.9
109.03973	2.1
112.98680	2.6
113.02364	1.4
119.04933	2.8
121.02837	24.2
122.03644	16.9
123.00805	1.3
123.04387	4.3
124.01530	1.8
132.02087	1.8
133.02841	4.4
134.03618	4.7
135.04405	22.6
136.01558	22.4
137.02364	11.8
145.02843	1.6
146.03632	5.0
147.04387	5.2
149.02339	49.2
149.05997	2.6
150.03130	85.7
151.03917	30.1
154.02576	2.0
159.04401	1.7
160.05219	1.8
161.02391	2.0
161.06000	4.1
162.03128	13.7
163.03912	10.7
164.04684	12.7
165.05481	87.6
166.05818	4.3
172.05228	2.5
175.03929	11.6
175.07582	2.1
177.05486	19.5
179.07031	9.6
180.04202	5.8
187.07661	1.8
189.05511	7.4
190.06281	10.9
191.05569	2.8
193.05084	1.9
195.06554	39.1
196.06877	1.8
205.08650	2.3
205.53741	1.2
213.05606	1.5
225.05516	9.7
226.06369	1.9
229.68861	1.4
237.07709	2.1
240.08015	7.2
241.05016	3.0
241.08549	1.5
250.71216	1.2
252.04243	2.3
255.06586	1.7
256.07364	3.4
271.09677	11.3
272.09845	1.2
277.03427	1.8
284.06870	2.2
285.07651	1.9
299.09238	7.9
301.10895	1.8
303.12384	11.4
309.07684	1.2
311.09155	2.7
325.10785	1.4
327.12354	7.4
342.11255	1.5
343.12027	6.2
357.13431	20.5
358.13782	2.9
369.13428	1.6
475.17633	9.1
476.17847	1.4
487.17569	3.2
490.16461	1.9
505.18668	100.0
506.18918	13.9
523.19635	2.5
553.20459	3.1
553.34467	1.4
566.66473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.0
70.71758	0.7
71.01248	1.7
72.99168	0.6
73.02812	1.6
77.18110	0.2
78.95773	2.1
79.95609	3.4
83.01256	0.6
85.02763	0.2
87.00735	1.4
89.02332	0.7
96.95883	100.0
96.96876	3.5
98.90573	0.2
98.95462	0.3
99.00729	0.2
101.02309	1.8
106.42255	0.2
112.98643	0.5
113.02316	0.7
113.92475	0.2
114.93298	0.6
118.96489	0.2
119.03400	0.3
119.04918	0.5
120.99546	0.2
121.02801	0.2
123.04456	0.2
126.90251	0.6
127.05017	0.5
149.00821	0.7
149.04433	0.4
152.75839	0.2
160.97507	0.3
161.04420	0.6
163.03952	0.5
187.07552	0.5
203.07047	0.2
215.07082	0.3
217.00209	0.2
231.10150	0.3
247.09879	0.2
259.69888	0.2
286.88495	0.2
327.16132	0.3
389.16046	0.8
441.77368	0.2
467.16006	0.5
495.67676	0.2
552.31482	0.5
553.12335	0.3
553.25439	0.4
579.34894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.3
70.52459	1.9
71.01252	11.1
71.57726	2.7
73.02814	2.3
83.01260	2.7
86.46735	1.9
87.00755	3.2
89.02312	6.4
96.95886	10.5
101.02328	6.2
113.02344	5.3
119.03407	3.4
121.02846	7.8
122.03620	7.0
123.04422	5.9
133.02834	2.1
135.04436	8.5
136.05182	10.1
149.02338	13.5
150.03122	67.8
151.03912	29.9
151.07497	2.0
161.04471	2.3
164.04716	5.4
165.01813	3.2
165.05469	83.2
166.05899	3.8
180.04216	4.4
181.04987	21.4
195.06549	73.3
196.06837	4.2
311.09186	3.9
343.11813	15.3
373.18558	2.1
391.13956	100.0
392.14279	11.6
434.30807	2.3
553.18805	10.3
553.26178	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	553.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67318	0.6
57.03313	2.3
58.68728	0.6
59.01254	9.2
61.98701	5.7
63.02266	1.8
65.00197	9.8
65.49071	0.6
68.99670	0.8
71.01267	3.8
71.58863	0.8
72.99178	1.0
73.02821	1.1
78.95773	1.4
79.95590	1.0
81.03331	1.9
83.01257	7.6
85.02825	2.1
85.75127	0.6
86.77161	0.6
87.00762	3.5
89.02322	1.1
93.03335	11.4
96.95892	29.1
97.02843	1.4
98.95485	3.1
98.96313	0.6
101.02318	2.8
107.01277	13.9
109.02843	1.0
112.98685	2.6
113.02331	1.7
117.03340	2.5
119.04921	33.8
120.05260	0.6
121.02863	2.0
123.04484	0.9
124.01592	0.7
125.02341	31.0
131.01289	1.5
133.02902	3.1
135.04437	1.7
136.01605	1.2
137.02350	9.0
138.02719	1.2
139.03897	1.2
143.04916	1.3
145.02867	12.6
147.04381	1.2
149.00844	1.1
149.02339	2.6
150.03105	2.8
150.90645	0.6
151.00278	54.7
151.03889	2.3
152.00824	1.9
153.01869	2.7
161.02342	1.0
161.04533	0.9
161.05937	1.4
163.03938	3.7
165.01819	4.1
165.03009	0.7
165.05446	2.4
167.03415	1.1
169.01341	3.3
172.05270	1.1
173.05983	4.2
175.00296	4.7
175.03922	2.2
177.01886	6.4
177.05496	2.1
178.02419	0.7
178.99820	4.8
179.03433	2.7
179.07060	0.7
185.05998	1.9
187.03978	3.0
187.07481	0.7
191.05508	1.3
193.01357	2.1
195.06648	1.6
201.05540	2.5
203.03410	2.8
205.57451	0.7
214.06303	1.0
215.07094	4.8
227.07109	2.9
239.05585	3.8
241.05011	1.1
243.06587	3.4
252.93974	1.2
259.06107	36.4
260.06473	2.1
271.06122	100.0
272.06464	6.8
273.07639	1.1
277.03510	2.8
281.06686	11.0
283.06082	6.3
287.05618	19.0
288.05890	1.2
295.06152	3.6
301.07135	3.1
313.07263	2.6
316.73108	0.7
407.09631	0.8
459.09055	1.7
493.27902	1.3
509.23752	0.9
511.24829	1.0
511.82938	0.8
525.13879	4.5
549.02765	0.7
553.13556	11.0
554.13794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73400	0.6
57.03318	0.7
58.00468	0.8
59.01249	24.2
60.24184	0.5
61.98689	1.1
68.99624	0.5
69.03326	0.8
69.34531	5.7
71.01254	12.2
72.99179	5.7
73.02806	3.6
75.00727	1.7
77.64030	0.5
78.95768	1.7
79.95605	26.4
80.96383	2.7
83.01249	1.4
83.04918	0.6
85.02824	4.8
87.00745	7.5
89.02317	6.7
95.01266	1.0
95.95097	13.9
96.95885	100.0
97.06483	0.8
98.19816	1.1
98.95461	0.9
99.00749	1.1
101.02317	7.8
103.00222	1.8
105.09538	0.6
106.47162	0.5
108.02081	0.7
109.02839	1.3
109.06438	0.7
111.04375	0.7
112.98701	3.9
113.02314	3.5
117.03372	0.9
119.03395	1.9
119.04927	3.7
120.99530	0.7
123.04397	0.7
125.02287	0.7
127.20156	0.6
130.90074	0.6
133.06468	0.6
135.04449	3.3
139.03879	0.5
145.01378	0.8
145.02847	0.8
146.03600	0.8
147.04375	0.9
149.00804	4.0
151.07585	0.7
153.01791	0.8
153.05389	0.6
161.04442	1.0
161.05905	1.1
163.03934	4.0
163.07530	0.9
171.04393	1.2
173.06055	1.3
174.06723	1.2
175.03981	0.6
175.07541	1.4
177.09111	0.6
179.03415	1.6
187.07558	2.0
189.09105	1.1
200.08353	1.3
201.05432	1.5
201.09178	0.6
203.03438	1.6
203.07077	1.4
211.07695	0.7
213.09102	0.8
214.06270	0.8
215.07068	1.2
218.09331	0.9
219.10037	0.8
229.08717	0.9
231.10135	1.2
232.07382	0.7
241.00266	3.3
247.09676	2.2
248.10341	0.8
265.05530	2.0
275.09039	0.6
277.03424	1.9
283.13229	0.6
287.48428	0.6
327.16058	0.6
343.08588	0.7
345.16809	0.9
359.07877	1.2
371.15002	0.8
373.05630	0.6
389.15988	4.3
403.69815	0.6
421.18573	1.6
473.15543	0.6
493.09903	1.0
518.49664	0.6
521.09125	0.7
535.11292	2.5
536.11768	1.3
553.12244	70.7
553.27020	2.9
554.12506	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	553.0778
Annotation	3''-Desoxydicranolomin
Peak:m/z	Relative Intensity
59.01252	1.2
61.98708	0.6
63.02274	1.3
65.00197	6.5
70.35316	0.5
70.35706	0.7
71.01278	0.3
78.95783	0.8
83.01260	2.7
87.00767	0.7
88.90319	0.3
88.98709	0.8
90.32407	0.3
92.13606	0.3
93.03341	2.2
96.61766	0.3
96.95886	4.0
98.20462	0.4
98.95458	0.8
105.03370	0.4
105.79517	0.3
107.01272	9.4
109.02854	0.3
112.98698	0.6
117.03339	4.6
119.04926	0.9
125.02354	1.3
127.91204	0.3
135.04410	0.7
139.05469	0.3
147.04462	0.4
147.79877	0.3
149.02402	1.5
151.00272	19.6
152.00568	0.6
155.04878	0.4
157.07483	0.3
158.03691	0.3
159.04469	2.0
161.02296	0.4
163.03922	0.7
165.01837	0.3
165.05444	0.3
167.04979	0.9
169.01334	0.5
169.02840	0.4
171.00626	0.3
171.04402	0.5
173.06047	0.3
175.03932	0.3
177.01978	0.3
183.04434	1.1
185.71843	0.3
190.01183	0.3
193.01366	3.0
195.04407	1.1
195.06082	0.3
197.02420	0.3
197.77782	0.3
203.03450	1.0
209.02406	1.1
209.06032	0.6
211.03943	3.4
212.82985	0.3
213.01985	0.4
213.05455	0.7
215.03375	0.6
221.06033	0.3
225.05536	0.5
233.06079	0.4
235.03996	1.4
236.04652	0.9
237.01868	0.9
237.05466	1.5
238.02684	0.4
239.03459	13.2
240.03850	1.0
241.01315	0.7
245.06032	0.3
249.05479	0.9
250.06210	0.3
251.03496	0.9
251.07079	0.4
252.04187	0.4
252.10347	0.3
253.05000	1.2
255.02950	1.6
255.06636	0.5
257.04529	1.8
260.04788	0.4
261.05597	1.0
263.03436	2.8
264.04126	0.6
265.01443	2.1
266.02136	0.8
269.04578	1.2
273.05630	0.3
275.03592	0.7
275.06943	0.7
276.04169	0.5
277.05264	1.4
278.05640	0.5
279.02945	0.9
279.06583	1.4
281.04510	5.8
282.04892	0.7
283.02496	1.3
290.05878	0.3
291.06702	0.4
293.04575	1.0
295.06055	0.4
299.05417	0.3
301.05045	0.7
303.02737	0.4
303.06573	0.5
304.03949	0.7
305.04526	3.3
307.02493	3.6
308.03156	0.9
315.06769	0.4
317.04605	0.5
319.06052	1.6
321.04108	0.8
323.05579	6.8
324.05899	0.7
325.03528	0.4
329.04590	1.1
345.04031	1.1
345.07809	0.4
346.04959	0.4
347.05606	8.4
348.06018	0.6
349.03558	4.8
361.03610	1.8
365.06689	0.8
371.05615	0.7
373.03476	1.0
389.02673	0.6
391.04599	49.3
392.04886	6.2
401.06671	4.7
402.06894	0.6
415.04620	5.0
416.04959	0.4
417.02481	5.5
418.03107	0.9
433.05652	11.8
434.05884	1.5
459.03528	4.9
460.03925	0.7
553.07770	100.0
554.08081	16.7
554.16901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49600	0.3
57.44476	0.3
59.01252	22.6
60.01587	0.4
71.01260	0.9
78.95776	20.9
78.98460	0.8
79.95618	1.0
80.96398	6.5
87.00745	0.4
94.97966	1.5
96.95886	1.3
96.96841	0.5
102.19254	0.3
106.98003	0.4
122.97456	0.5
125.02325	0.6
134.97462	0.6
134.98439	0.4
142.32570	0.3
148.99040	1.0
152.98463	0.6
152.99495	3.2
153.22359	0.3
164.98541	1.1
168.04218	2.8
171.00587	0.4
174.30461	0.3
224.06897	7.3
225.00706	2.5
242.07921	1.9
253.21715	100.0
254.22035	9.0
279.23309	0.8
453.34079	0.8
471.34756	0.3
476.27884	1.3
478.29385	54.0
479.29810	8.1
553.26947	11.5
553.34528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.3
60.01548	0.3
61.92120	0.3
61.98689	0.4
62.48915	0.3
71.01230	0.3
71.58625	0.4
72.79125	0.3
78.95778	18.7
78.98463	0.3
79.95597	0.4
80.96395	2.7
94.97947	0.6
96.95891	1.3
96.96868	0.5
102.36340	0.3
147.76598	0.3
150.64922	0.3
152.98515	0.3
152.99519	3.4
164.98582	0.6
168.04219	2.9
168.27634	0.3
171.00461	0.2
223.76019	0.3
224.06874	7.1
225.00589	0.6
225.07080	0.4
231.50478	0.3
242.07968	1.9
253.21706	100.0
254.22037	9.1
437.94580	0.3
471.34796	0.7
476.27750	0.6
478.29388	58.2
479.29672	7.1
553.26923	5.6
553.34760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18247	0.4
59.01251	16.8
62.54376	0.4
70.88783	0.8
70.89122	0.7
71.01237	2.9
73.02821	0.9
83.01263	0.5
85.02834	0.4
87.00756	0.6
89.02328	1.8
101.02318	3.2
113.02370	0.9
119.03399	1.0
135.96582	0.3
136.56012	0.3
141.45618	0.3
161.04446	1.4
164.84184	0.3
167.07185	0.3
194.64514	0.4
199.16183	0.3
235.08183	2.2
253.09254	12.9
254.09673	0.9
255.23267	100.0
256.23605	8.8
256.26285	0.5
259.09753	0.4
468.25659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72718	0.3
56.88724	0.3
59.01253	1.5
61.98704	0.4
62.62852	0.3
64.89712	0.2
71.01284	0.3
71.57986	0.5
73.34962	0.2
78.95773	7.5
80.96370	0.6
83.04894	0.5
85.23345	0.3
86.95045	0.2
87.21873	0.2
96.95885	0.3
106.52583	0.3
127.07489	0.4
132.65475	0.3
144.61284	0.3
151.70248	0.3
152.99478	1.1
153.05087	0.3
168.04205	1.6
177.01543	0.3
183.47214	0.3
224.06853	0.8
232.00223	0.3
233.22650	0.4
242.07961	3.3
275.20081	0.4
277.21704	100.0
278.22025	8.7
303.04605	0.4
323.72763	0.3
434.78622	0.3
485.50696	0.3
502.29395	33.0
503.29752	4.7
517.20300	0.3
552.25507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85598	0.4
51.97067	0.5
57.97382	0.5
58.98888	0.5
59.01255	8.7
61.98705	0.8
67.05660	0.5
69.26408	2.0
69.26829	3.5
71.48576	0.5
74.67500	0.5
75.65384	0.4
76.42471	0.5
78.95773	27.4
92.73566	0.5
96.95882	0.9
98.19743	1.3
118.89843	0.5
152.99487	4.9
168.04221	4.8
217.00206	0.6
217.68945	0.5
224.06871	13.0
225.07095	0.8
242.07999	3.9
253.21704	40.3
254.21970	2.7
259.20801	0.6
277.21716	100.0
278.22049	8.7
312.33112	0.5
337.21216	0.6
356.95950	0.5
478.29507	10.8
479.29562	1.9
484.65485	0.6
502.29407	71.8
503.29715	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37524	0.8
55.01746	0.9
57.03316	1.1
59.01247	100.0
60.01568	1.4
69.03326	1.0
69.75731	6.1
71.01247	14.8
71.04893	0.8
72.99176	2.7
73.02814	6.0
75.00743	1.8
78.29372	0.9
78.95779	1.6
79.95602	2.5
83.01254	4.4
85.02814	7.7
87.00751	3.3
87.15437	1.1
89.02306	5.2
95.01228	1.1
96.95882	55.7
98.19874	1.7
98.95522	1.1
99.00726	2.1
101.02308	12.0
111.00771	1.1
112.98674	1.8
113.02325	6.6
119.03336	1.3
135.04381	2.1
149.00838	1.9
149.04453	1.6
159.02927	1.1
161.04459	2.1
164.03415	1.5
165.01730	0.9
165.12738	1.0
165.17177	0.9
177.01797	5.0
178.02441	1.0
179.05524	1.4
183.13815	3.1
227.12912	4.5
239.19806	0.9
302.05884	1.0
405.24768	2.1
419.11313	1.4
447.25806	2.4
465.27023	4.6
489.26819	3.4
507.28046	82.3
508.28333	12.1
539.97241	1.1
551.23401	3.4
551.31213	4.5
552.23126	1.3
552.31122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.00455	0.6
59.01246	8.3
63.06572	0.4
71.01237	2.2
71.35738	0.5
72.99148	0.4
73.02810	4.4
75.00735	0.3
78.95763	0.4
80.30534	0.4
83.01254	5.5
85.02818	1.1
87.00735	0.4
87.04379	1.3
89.02294	0.4
90.05546	0.4
93.03319	0.5
95.31886	0.4
95.64945	0.4
96.95876	8.1
97.02839	0.4
101.02302	2.8
101.05974	1.0
109.06513	0.4
111.07999	0.4
112.98666	0.4
113.02304	0.8
117.03352	0.4
119.04910	100.0
120.05263	3.4
125.05927	0.4
127.90721	0.4
135.04427	0.5
139.11177	4.1
149.00810	0.6
149.02333	0.4
151.11165	1.0
161.02400	0.4
161.06088	0.4
163.03906	61.7
163.11169	0.4
164.04224	3.0
165.05437	0.6
165.09134	0.5
169.12209	1.1
179.10727	1.3
181.12202	1.8
183.10188	7.0
184.10524	0.4
193.22314	0.4
197.11716	1.5
199.13406	1.0
200.90282	0.4
225.11261	8.9
231.10057	0.6
239.12914	0.6
243.12340	7.3
244.12537	0.4
249.11293	1.3
267.12296	1.3
285.13385	1.1
291.12473	2.1
327.14496	2.4
328.14969	0.4
368.99094	0.4
369.15683	0.8
387.16611	7.3
388.17065	0.8
507.27826	0.9
533.20343	0.5
551.21240	28.0
552.21429	3.8
556.05658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
58.00463	1.7
59.01253	23.1
69.03326	0.7
69.51608	4.4
71.01251	15.3
72.99178	1.3
72.99769	0.6
73.02811	5.3
78.95778	1.1
83.01260	2.0
85.02803	4.2
87.00743	6.8
89.02317	11.7
95.01273	1.3
96.95892	9.1
97.02824	0.8
97.06447	0.9
101.01688	1.0
101.02325	12.1
111.08043	2.1
112.98697	0.8
113.02331	6.8
119.03411	1.8
119.04927	4.2
131.03343	0.9
134.03618	0.8
135.04413	7.6
143.03409	0.8
161.04439	1.3
163.03909	5.2
165.12753	33.5
166.13078	2.1
167.14259	1.5
179.03416	7.6
179.05510	1.7
183.13823	93.0
184.14185	6.7
195.13782	1.5
197.15393	13.2
198.15773	0.9
207.13867	5.4
209.11777	7.2
225.14928	8.0
226.15189	0.9
227.12833	100.0
228.13217	6.7
241.14438	1.3
251.12888	2.6
269.13928	11.8
270.14194	0.9
293.13785	0.8
299.14990	9.3
329.16052	33.3
330.16394	4.3
341.10873	2.6
359.17368	0.7
371.17169	0.8
389.18161	69.1
390.18338	6.9
507.28018	6.1
551.23444	39.4
552.23810	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	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66190	3.1
54.24425	2.4
55.34455	2.6
59.01253	100.0
61.51106	2.6
61.98711	3.2
65.23235	2.9
71.01257	23.0
71.06270	7.2
72.99167	5.1
73.02822	12.8
74.98954	3.8
75.00750	4.6
83.01257	5.1
83.04903	5.3
85.02837	6.4
86.16325	2.8
87.00755	11.4
89.02313	14.8
95.04902	3.1
96.95883	34.3
97.06465	3.3
99.00729	6.7
99.04391	3.3
101.02300	14.9
108.02016	6.8
109.02892	3.6
109.06433	4.1
113.02318	9.5
118.97942	3.0
121.02837	5.3
127.07542	3.2
130.06284	3.0
133.02875	6.1
135.04390	7.1
136.99004	4.3
149.00764	5.4
149.04402	3.8
152.01085	15.9
159.06552	7.8
163.11151	3.5
165.09062	3.8
225.11247	6.6
241.14461	7.0
243.12367	16.7
285.13498	14.4
303.14478	81.5
304.14801	6.9
311.10056	3.8
337.08160	6.0
339.09000	6.1
399.13940	3.5
399.19046	2.9
429.10397	5.1
467.68076	2.8
506.53705	3.1
507.20844	3.3
519.15173	6.6
551.14325	6.4
551.31396	14.0
552.14771	3.6
570.93622	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	551.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26596	1.4
54.43301	1.4
54.56806	1.5
57.03315	4.0
59.01247	58.1
61.79197	1.6
65.50206	1.2
70.98117	2.7
70.98463	1.6
71.01248	7.6
71.04897	1.8
73.02825	3.0
83.01234	2.1
83.04887	3.9
85.02833	2.2
87.00782	2.3
89.02320	5.8
96.95888	6.2
99.04382	9.9
101.02309	5.4
113.02324	1.7
121.02825	2.3
123.08042	4.5
125.05965	18.1
134.03610	1.9
135.11707	1.8
145.60538	1.3
150.45767	1.4
163.11136	2.2
165.01772	1.8
165.05534	1.6
166.07413	1.4
167.06999	2.6
178.02611	2.3
185.08080	14.7
193.04956	7.1
195.06578	1.7
207.10153	1.8
221.79054	1.5
223.13161	1.6
225.11284	9.0
227.12732	2.4
241.14302	3.8
243.12340	13.8
285.13437	12.5
303.14465	100.0
304.14850	7.7
327.54248	1.9
371.11368	3.1
389.18079	3.4
463.94360	1.3
491.21396	1.9
507.20877	6.4
551.23193	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	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.6
61.98706	1.1
71.01256	1.6
73.02821	0.7
75.24790	0.5
78.95792	0.9
79.95621	3.1
83.01267	0.6
85.02835	1.1
93.03350	2.7
96.95891	100.0
97.95814	0.7
98.95477	1.2
101.02322	0.8
102.98452	0.6
104.74384	0.5
109.02895	0.6
119.04900	0.5
121.02863	2.9
122.03632	8.5
123.04415	0.9
133.02844	1.0
134.03603	0.6
135.04486	0.6
136.01598	0.7
137.02293	0.5
147.04396	0.8
149.02341	13.5
150.03136	58.0
151.03589	2.0
159.08054	0.5
162.93864	0.7
164.04753	1.7
165.05489	66.4
166.05771	2.7
166.71379	0.5
172.95860	0.7
175.03926	5.1
177.05449	0.8
180.04224	4.7
190.06323	1.0
195.06563	39.4
196.06912	2.0
199.11374	0.5
218.05798	2.1
218.96411	6.3
219.71150	0.5
222.05273	2.1
230.08000	0.7
231.06470	0.6
235.07651	1.4
237.05585	1.2
239.07091	0.7
249.05490	0.7
250.06371	0.7
251.07082	1.5
259.01276	1.7
259.09885	0.8
265.05164	0.6
266.09354	0.6
267.06573	3.4
279.06604	9.0
291.06595	4.5
292.07346	1.7
293.08179	2.2
294.05545	1.0
294.09039	1.8
295.06085	9.5
295.09100	0.4
296.06659	0.8
306.08887	3.8
307.06143	14.6
307.09598	1.3
308.06598	1.0
309.07684	2.7
310.08426	7.5
311.08881	1.1
321.07629	2.1
322.08435	5.4
323.09064	0.8
324.10059	2.2
325.10809	23.8
326.11221	1.9
337.10809	38.7
338.11221	3.3
339.05429	1.1
347.18671	1.3
349.52280	0.5
355.11816	0.7
429.13159	0.5
443.12366	0.5
458.13239	0.8
473.16089	5.0
485.16241	0.6
490.39038	0.6
503.16940	4.9
504.17923	0.6
521.17767	3.5
551.19196	8.0
552.19525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01907	1.7
59.01254	10.6
68.99670	3.4
69.32133	3.4
69.32536	12.6
71.01263	2.4
73.02822	1.9
73.62859	1.3
79.95607	4.2
87.21693	1.4
93.03336	5.6
95.95184	1.7
96.95888	100.0
98.23537	1.3
98.95480	2.8
108.02044	11.7
109.02826	1.7
119.04928	27.3
120.05194	1.6
121.02858	8.0
122.03624	12.7
123.00742	2.5
123.04451	9.9
132.02058	1.8
133.02837	2.1
136.01569	2.2
138.03145	4.3
139.11192	1.7
145.22610	1.5
147.04387	6.4
148.01578	1.7
149.02350	34.1
150.03131	91.1
151.03513	1.6
153.05467	1.5
161.02347	2.9
162.03087	5.4
163.03928	19.1
163.79834	1.6
164.04724	6.3
165.05490	79.1
166.05746	3.0
175.03920	22.8
176.04616	1.6
177.05498	6.5
178.02649	14.6
180.04201	3.9
183.10147	2.2
188.04739	1.7
190.06299	5.5
193.04987	21.2
195.06569	37.2
196.06944	1.9
208.03748	2.4
218.05844	3.2
222.05220	10.5
225.11276	1.8
235.07474	1.8
250.06137	1.7
251.07050	2.5
259.01135	2.1
262.26474	1.5
263.07193	1.7
265.08673	6.7
266.05731	2.0
267.06491	7.1
279.06677	13.6
279.09857	2.7
280.07098	2.2
281.08206	3.6
291.06601	6.1
292.07452	5.0
293.08194	16.2
294.05292	4.2
294.08920	5.3
295.06061	14.2
295.09265	2.1
296.06699	5.5
297.07626	1.9
306.05298	1.4
306.08884	4.4
307.06061	13.2
307.09622	4.7
308.06641	2.4
309.07715	10.8
309.10742	1.7
310.08350	10.7
311.09268	3.6
312.09888	2.5
316.19623	1.6
321.07706	1.6
322.08466	7.3
323.09058	6.4
324.09988	7.8
325.10748	24.4
326.11130	2.2
327.12329	5.2
337.10815	37.4
338.11093	4.7
339.12445	3.3
379.12189	2.9
414.10278	1.6
415.11801	3.7
427.11807	2.1
429.13522	4.2
443.11075	4.9
457.12769	2.5
458.13715	6.7
459.14243	7.2
473.09149	2.0
473.16000	45.4
474.16327	4.1
485.16199	8.1
503.17145	80.0
504.17657	10.4
507.27866	2.6
521.18231	14.9
522.18524	2.6
533.18213	2.7
551.19348	42.5
552.19415	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	551.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.0
59.01247	7.4
59.68781	1.8
69.35957	13.0
71.01245	6.4
84.02027	2.2
85.02816	24.1
85.49440	1.7
86.96452	1.8
87.00745	7.6
89.02319	5.4
96.95915	10.0
98.19785	3.2
101.02338	2.3
110.89774	2.0
113.02311	2.6
115.00252	5.5
129.01822	15.4
133.01329	10.3
159.02878	4.0
166.92305	2.5
170.61070	1.8
186.51161	1.6
199.82944	1.6
208.84872	8.4
209.06599	100.0
210.06920	3.4
219.43983	1.6
233.05223	2.0
341.10855	5.0
355.04926	2.1
381.65530	2.4
531.68622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.6
61.98706	1.1
71.01256	1.6
73.02821	0.7
75.24790	0.5
78.95792	0.9
79.95621	3.1
83.01267	0.6
85.02835	1.1
93.03350	2.7
96.95891	100.0
97.95814	0.7
98.95477	1.2
101.02322	0.8
102.98452	0.6
104.74384	0.5
109.02895	0.6
119.04900	0.5
121.02863	2.9
122.03632	8.5
123.04415	0.9
133.02844	1.0
134.03603	0.6
135.04486	0.6
136.01598	0.7
137.02293	0.5
147.04396	0.8
149.02341	13.5
150.03136	58.0
151.03589	2.0
159.08054	0.5
162.93864	0.7
164.04753	1.7
165.05489	66.4
166.05771	2.7
166.71379	0.5
172.95860	0.7
175.03926	5.1
177.05449	0.8
180.04224	4.7
190.06323	1.0
195.06563	39.4
196.06912	2.0
199.11374	0.5
218.05798	2.1
218.96411	6.3
219.71150	0.5
222.05273	2.1
230.08000	0.7
231.06470	0.6
235.07651	1.4
237.05585	1.2
239.07091	0.7
249.05490	0.7
250.06371	0.7
251.07082	1.5
259.01276	1.7
259.09885	0.8
265.05164	0.6
266.09354	0.6
267.06573	3.4
279.06604	9.0
291.06595	4.5
292.07346	1.7
293.08179	2.2
294.05545	1.0
294.09039	1.8
295.06085	9.5
295.09100	0.4
296.06659	0.8
306.08887	3.8
307.06143	14.6
307.09598	1.3
308.06598	1.0
309.07684	2.7
310.08426	7.5
311.08881	1.1
321.07629	2.1
322.08435	5.4
323.09064	0.8
324.10059	2.2
325.10809	23.8
326.11221	1.9
337.10809	38.7
338.11221	3.3
339.05429	1.1
347.18671	1.3
349.52280	0.5
355.11816	0.7
429.13159	0.5
443.12366	0.5
458.13239	0.8
473.16089	5.0
485.16241	0.6
490.39038	0.6
503.16940	4.9
504.17923	0.6
521.17767	3.5
551.19196	8.0
552.19525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00864	0.3
55.01752	1.4
57.03318	3.3
58.44833	0.3
59.01247	100.0
60.01579	1.1
68.99661	0.3
69.03335	0.7
69.77848	0.3
70.03983	0.3
71.01249	14.1
72.99172	0.6
73.02811	3.7
77.90499	0.3
78.95773	0.5
81.03295	0.3
83.01245	3.0
85.02816	8.5
85.06466	0.7
87.00759	1.1
89.02305	3.7
95.01259	1.8
96.53802	0.3
96.95888	0.6
97.02832	1.0
98.20580	0.6
99.00742	2.1
99.08002	0.7
101.02319	8.3
102.02663	0.3
111.00742	0.6
113.02325	10.4
119.03310	0.6
120.90948	0.3
124.01673	0.3
125.02332	0.8
127.11192	0.4
143.03407	1.4
159.02922	0.7
161.04457	2.0
169.52570	0.3
174.99173	0.4
180.90390	0.3
195.17499	1.9
197.15390	5.3
198.15765	0.4
208.21782	0.3
217.00131	1.4
243.19655	2.9
299.25757	0.6
345.30072	12.7
346.30515	1.7
374.99164	0.8
441.31815	0.4
459.33475	0.8
489.34293	57.8
490.34610	8.0
507.35315	20.4
508.35733	2.7
509.42520	0.3
531.27863	0.3
539.78174	0.4
549.36298	0.9
559.80872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19393	0.2
55.01751	1.0
57.03321	2.3
57.69266	0.2
58.00467	0.5
59.01248	100.0
60.01582	0.9
62.59245	0.2
68.99671	0.2
69.03326	0.7
69.28319	2.1
71.01251	14.6
72.99191	0.8
73.02818	4.0
75.00771	0.3
79.95631	0.2
83.01252	2.8
84.02051	0.2
84.60630	0.2
85.02818	8.9
87.00751	1.1
87.04392	0.2
89.01772	0.2
89.02309	3.7
93.20447	0.2
95.01261	2.2
96.68670	0.2
96.95891	0.4
97.02849	0.7
99.00732	1.7
99.08046	0.8
101.02315	8.8
108.46067	0.2
111.00769	0.6
112.01582	0.3
113.02323	9.3
113.09606	0.3
119.03420	1.2
119.04166	0.2
125.02312	1.1
129.01842	0.4
131.03391	0.3
137.98749	0.2
143.03400	1.5
143.10672	1.1
155.14297	0.7
159.02916	0.6
161.04454	3.9
177.01790	0.3
179.05553	0.5
181.98390	0.2
183.13829	1.0
189.96616	0.2
191.71205	0.2
195.17503	0.3
197.15382	1.2
217.00264	0.5
229.18083	0.7
241.21780	0.2
243.19630	0.7
253.21455	0.2
273.20596	0.3
283.22739	0.5
299.25949	0.7
311.26041	0.2
327.29181	0.4
329.26971	1.7
343.28452	1.4
345.30051	8.9
346.30435	0.5
441.32297	0.3
459.33252	0.6
480.38086	0.2
487.32700	0.4
489.34296	44.0
490.34677	6.0
507.35352	16.0
508.35565	2.0
539.87366	0.2
549.36389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01578	1.1
61.98698	0.7
70.90919	0.6
70.91238	0.5
71.01243	2.0
78.95803	1.1
83.04883	0.5
85.02822	0.6
93.46283	0.4
96.95895	0.5
99.04379	0.5
101.02306	0.8
113.02329	0.8
127.11196	0.6
152.99478	0.8
161.04436	0.4
171.10234	0.6
191.05511	0.6
201.11188	3.6
217.00243	0.5
253.09290	2.1
277.21747	0.7
292.04538	0.4
303.62216	0.4
313.23810	9.6
313.27271	0.5
314.24240	1.1
457.33173	1.0
489.35556	6.6
490.35922	1.2
507.35605	0.9
513.27277	2.3
514.27472	0.7
549.24884	1.3
549.38208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
56.45364	0.2
57.03332	1.4
58.00465	0.3
59.01251	100.0
60.01581	1.1
69.03333	0.5
69.37405	1.9
69.49609	0.2
71.01253	11.5
71.04910	0.5
72.99185	0.8
73.02821	3.1
80.34879	0.2
80.96366	0.4
83.01256	2.4
85.02827	8.1
87.00770	1.3
89.02318	2.6
90.57217	0.2
95.01257	1.7
96.95897	0.3
97.02798	0.3
98.19736	0.2
99.00735	1.4
99.08042	0.5
101.02316	6.4
103.48662	0.2
111.00801	0.4
113.02329	7.8
119.03352	0.5
125.02346	0.8
143.03419	0.9
159.02864	0.6
161.04462	1.8
165.63063	0.3
168.26404	0.2
197.15367	2.0
209.14999	0.2
209.19026	0.9
227.20010	0.3
243.19661	0.9
271.07172	0.2
275.03870	0.2
283.22934	0.3
299.25864	1.5
327.29233	0.4
343.28613	0.4
345.30078	9.8
346.30273	1.4
441.32205	0.4
449.44220	0.2
459.33203	0.5
489.34329	45.0
490.34644	6.8
507.35361	15.9
508.35745	2.3
524.09637	0.3
549.19806	0.3
549.36353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03323	2.0
58.00465	0.3
59.01250	100.0
60.01579	1.2
69.03320	0.6
69.27985	1.9
71.01252	12.5
71.04893	0.5
72.01619	0.3
72.99186	0.4
73.02818	3.2
75.00742	0.2
81.03340	0.2
82.90459	0.2
83.01260	3.1
85.02823	7.6
87.00740	1.1
89.02316	3.3
94.29788	0.2
95.01263	1.9
97.02839	0.8
99.00751	1.4
99.08006	0.4
101.02323	7.7
111.00771	0.5
112.01537	0.2
113.02330	8.9
114.02656	0.3
119.03361	1.0
121.60213	0.2
124.01569	0.3
125.02340	1.0
143.03415	1.2
143.10670	0.4
159.02873	0.6
161.04463	2.0
167.80499	0.2
171.95422	0.2
195.17453	0.4
197.15421	2.6
198.48161	0.2
209.14169	0.2
209.19064	1.0
209.29958	0.2
211.17020	0.2
225.18427	0.2
227.20189	0.4
231.44249	0.2
243.19623	1.0
255.23256	0.3
295.77670	0.2
299.25870	1.5
327.28979	0.3
343.28699	0.2
345.30081	12.7
346.30472	1.6
369.29962	0.3
387.30756	0.2
441.32022	0.6
459.33231	0.5
489.34323	48.2
490.27298	0.3
490.28693	0.1
490.34647	6.8
507.35361	16.5
508.35541	2.3
549.36603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
55.44046	0.2
57.03321	1.3
58.00467	0.5
59.01247	100.0
60.01583	1.4
61.98698	0.6
69.03326	0.5
69.27954	1.5
69.28384	1.4
71.01249	15.3
72.99185	1.0
73.02818	3.7
75.00757	0.4
77.90027	0.3
78.95771	0.5
83.01253	1.9
84.02051	0.3
85.02817	8.0
85.99998	0.3
87.00717	1.6
89.02312	4.0
95.01275	1.9
96.95864	1.8
97.02837	0.6
99.00750	1.8
100.19647	0.3
101.02316	7.9
111.00750	0.4
112.98685	0.6
113.02324	10.5
119.03411	1.0
124.01517	0.4
125.02361	1.0
135.04466	0.7
136.52206	0.3
139.00328	0.3
143.03371	1.6
143.10629	0.5
149.04416	0.4
159.02916	0.9
161.04486	4.0
173.83018	0.3
179.05510	0.4
197.15347	0.5
223.20612	0.3
246.44823	0.3
299.26071	0.9
307.99847	0.3
333.37473	0.3
333.62830	0.3
345.29993	4.9
345.33807	0.3
346.30841	0.4
387.14783	0.3
489.34308	28.3
490.34680	3.7
507.35312	18.9
508.35733	2.4
549.36511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
55.25340	0.1
57.03322	1.6
58.00475	0.2
59.01250	100.0
60.01590	1.1
66.88467	0.2
69.03375	0.1
70.24847	0.5
71.01254	8.5
72.99173	0.3
73.02826	2.1
75.00708	0.2
83.01257	2.1
85.02821	4.6
85.06464	0.4
86.03186	0.2
86.26469	0.2
87.00759	0.7
89.02329	2.0
95.01280	1.4
96.95940	0.4
97.02847	0.2
99.00762	1.2
101.02323	5.1
101.02993	0.3
103.17779	0.1
111.00774	0.3
112.17975	0.1
113.02331	4.7
119.03402	0.4
125.02361	0.6
135.04398	0.4
143.03400	0.4
143.10687	0.5
146.84021	0.2
159.02858	0.3
161.04465	1.6
179.03445	0.4
195.02141	0.2
197.15503	0.7
218.12622	0.2
223.20639	0.4
281.24878	0.4
283.22794	0.4
299.25851	1.2
300.26285	0.3
327.29166	0.2
345.30066	7.0
345.60916	0.1
346.30344	0.8
359.56039	0.2
441.31754	0.3
459.33356	0.4
489.34317	24.9
490.34644	3.9
507.35333	8.7
508.35794	1.3
549.36359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.00465	1.2
59.01246	13.5
71.01256	4.6
72.99168	0.9
73.02801	1.0
73.86689	0.6
78.95778	1.7
85.02827	1.6
87.00751	0.6
89.02325	4.5
91.98367	0.6
92.87942	0.6
93.03315	0.8
95.01244	0.7
96.46018	0.6
96.95867	1.6
101.02322	5.1
113.02304	1.7
119.03385	1.7
125.09599	3.6
127.11174	6.0
137.09627	0.9
143.03442	0.6
152.99481	1.2
154.07776	0.6
155.10724	1.8
161.04453	1.9
165.09131	2.0
171.10187	7.0
174.99182	0.9
179.05542	0.9
183.10205	0.7
199.09671	1.5
201.11249	42.1
202.11562	2.4
217.00188	2.5
229.68538	1.0
253.09238	23.5
254.09706	1.3
277.21619	4.2
295.22665	4.4
296.43430	0.7
313.23831	100.0
314.24161	8.7
374.99280	0.8
381.26428	1.9
549.33130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62291	0.8
55.70793	0.9
57.01809	0.8
58.00468	1.7
59.00950	1.3
59.01253	26.7
61.98709	1.3
64.92815	0.8
71.01266	5.3
71.58328	1.1
71.58698	1.2
73.02820	1.0
75.64948	0.8
78.95784	1.7
85.02826	2.7
87.00753	1.1
89.02337	4.9
95.32395	1.0
96.95907	4.7
99.08033	11.0
101.02322	5.6
113.02330	3.6
113.09579	0.8
119.03400	1.9
127.07487	1.2
129.09113	13.9
152.99553	1.6
161.04448	3.8
174.99182	1.3
183.13837	29.7
184.14148	1.4
195.13824	3.3
217.00259	2.9
253.09259	24.8
254.09814	1.2
277.21692	2.8
295.22888	8.3
313.23853	100.0
314.24185	8.3
366.65060	1.0
374.99008	1.1
431.89600	0.9
463.57074	1.0
489.34244	2.3
549.33148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91413	0.1
59.01252	0.5
62.13742	0.1
71.01261	0.1
71.06368	0.2
78.95773	2.4
79.95604	2.3
83.02390	0.1
83.04887	0.1
96.95885	100.0
96.96761	3.5
97.95817	0.3
98.02349	0.9
98.03449	0.1
143.04370	0.1
172.13315	0.1
187.25888	0.1
225.15952	0.1
490.33829	0.4
549.29089	0.3
551.38525	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.00449	1.2
59.01252	15.8
71.01257	4.1
72.99181	0.6
73.02814	1.7
78.95770	1.3
83.01286	0.4
85.02819	1.1
87.00751	0.8
89.02324	4.8
91.03845	0.6
92.26541	0.5
94.75449	0.4
96.95871	1.1
97.02731	0.4
97.06451	0.5
98.20726	0.8
101.02325	5.4
113.02318	2.6
119.03405	0.8
125.09613	4.0
127.11182	5.2
137.09637	1.3
139.11133	0.8
152.99481	0.9
153.09161	0.6
155.10713	2.7
161.04468	2.0
165.09119	2.4
169.12427	0.4
171.10191	7.2
179.05531	0.8
183.10168	1.4
199.09715	1.9
201.11259	45.6
202.11566	2.4
217.00232	0.8
229.87044	0.5
230.00804	0.6
253.09268	22.9
254.09592	1.3
277.21722	4.6
278.21939	0.6
289.50687	0.5
295.22809	4.2
311.22168	0.5
313.23846	100.0
314.24219	9.3
420.81372	0.6
489.35571	0.9
549.33191	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94473	0.4
55.01747	0.9
57.03307	1.2
58.00458	0.7
59.01249	31.2
69.03325	1.0
71.01250	9.6
71.04896	0.4
71.29916	0.4
71.58601	0.3
71.89825	0.3
72.99180	5.8
73.02817	4.6
75.00752	0.5
79.95593	0.5
83.01263	2.2
83.04892	2.7
85.02818	5.4
85.32896	0.4
85.99958	0.8
87.00742	1.7
89.02318	3.2
93.03318	1.0
95.01254	0.5
96.95891	8.7
97.02819	0.5
98.95480	0.8
99.00780	2.1
99.04427	0.4
99.08017	0.9
101.01698	0.5
101.02332	8.1
109.06429	0.4
111.00798	0.5
111.04399	2.6
113.02325	3.4
119.03373	1.0
125.02339	1.0
129.05472	0.8
131.03416	0.4
133.02853	0.7
135.04433	0.6
137.02284	0.5
143.03397	0.4
144.98615	0.4
149.04437	0.8
151.03946	0.5
161.04449	0.9
162.29646	0.4
162.71202	0.4
169.48816	0.4
171.13739	0.5
175.04126	0.4
191.05540	1.7
194.87251	0.4
217.19620	0.4
219.17503	0.8
237.18564	1.1
265.17838	0.5
279.85104	0.4
283.19125	1.6
301.20221	3.6
343.21268	0.9
417.24771	0.5
445.24332	4.4
463.25528	14.8
464.25879	2.1
505.26547	100.0
506.26865	12.4
506.33041	0.3
549.15033	1.3
549.29608	2.1
550.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.7
55.92583	0.4
57.03319	3.2
58.00455	2.0
59.01250	46.1
60.01580	0.5
67.98257	0.5
68.00316	0.4
68.99665	0.6
69.03309	1.4
69.25276	5.3
71.01253	52.0
72.01565	1.0
72.99183	2.2
73.02819	17.7
75.00736	1.1
77.32915	0.4
79.95599	0.5
81.03329	0.7
83.01250	6.3
83.04869	0.5
84.02021	0.4
85.02824	19.5
85.03342	1.0
87.00747	2.8
87.04388	1.5
89.02316	24.8
90.02630	0.5
91.86817	0.5
95.01265	3.5
96.95886	10.2
97.02821	3.1
99.00756	11.5
101.02324	28.8
102.02684	0.6
111.00740	1.1
113.02331	17.0
115.03893	1.5
119.03394	4.1
125.02354	4.4
129.01810	0.9
130.09355	0.4
131.03395	3.7
133.02827	0.8
135.04387	0.5
139.00128	0.4
143.03395	1.8
149.04462	5.1
151.00471	0.6
151.03885	0.5
155.10751	0.4
159.02841	2.2
161.02420	0.9
161.04459	14.1
179.05524	1.0
179.18286	0.5
191.05556	3.0
233.06650	1.8
251.07683	0.6
255.19690	1.4
293.08743	2.3
387.14420	0.6
417.24918	24.6
418.25189	3.2
429.25174	0.8
447.26147	0.8
489.27060	0.7
505.26364	1.6
507.27948	0.6
531.27887	0.8
549.29156	100.0
550.29480	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	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.5
57.03306	2.9
58.00455	2.1
59.01247	54.3
60.01576	0.7
69.03333	2.6
71.01247	65.1
71.04889	0.7
71.58205	0.6
72.01589	0.9
72.77327	0.6
72.99170	3.5
73.02815	18.3
74.03121	0.5
75.00729	2.6
78.95779	1.2
79.95623	0.6
81.03335	0.9
83.01249	8.3
83.01712	0.8
83.04913	0.6
85.02818	19.5
85.99944	0.8
87.00758	4.5
87.04384	1.2
89.02311	47.8
90.02639	0.9
95.01270	3.5
96.95882	7.8
97.02818	3.6
97.06496	0.5
99.00752	15.9
99.04402	0.6
101.02314	38.9
101.10075	0.6
102.02643	1.0
111.00754	1.2
112.01543	0.6
113.02320	15.0
115.03860	2.7
118.18369	0.7
119.03403	5.3
119.04906	7.8
120.05289	0.5
125.02336	8.3
129.01843	0.8
131.03392	6.7
133.02795	0.8
143.03391	2.9
149.04454	16.7
159.02858	1.6
161.04451	13.3
163.03885	6.6
179.05504	1.7
181.55673	0.5
191.05536	5.8
203.05534	0.5
215.05498	0.7
225.03777	0.5
233.06601	5.9
233.40416	0.5
240.13521	0.5
251.07661	1.1
255.19571	1.4
293.08749	3.4
417.24893	36.0
418.25372	4.8
426.38330	0.7
463.25366	1.1
505.26553	6.1
506.27048	0.7
549.29114	100.0
550.29480	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	549.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62219	0.7
53.47903	0.8
59.01252	18.5
61.97247	0.7
65.00208	1.2
70.71890	1.3
70.72274	1.4
71.01248	7.5
72.99168	1.3
73.02807	2.2
74.02354	1.1
78.91957	0.7
83.01243	1.7
85.02821	2.8
86.02358	0.8
87.00755	1.2
89.02313	4.7
96.95880	3.5
101.02325	5.2
104.04929	1.0
107.01260	1.5
108.04416	3.5
111.00778	1.0
113.02312	2.4
118.02835	0.8
119.03487	0.8
120.99529	0.8
122.06002	3.1
128.03426	1.6
132.04446	1.3
134.06027	2.2
143.04500	1.5
146.02335	0.8
146.05975	0.9
147.03162	1.6
148.01555	1.1
148.03914	1.2
149.02357	2.2
150.05539	0.9
151.00246	5.3
158.02449	0.9
160.03954	16.6
161.04439	0.9
162.05470	1.5
175.02556	1.2
176.07115	1.1
188.03456	10.5
189.03886	1.1
190.05025	5.3
192.06555	0.9
195.06822	0.8
202.05069	0.9
204.02951	4.7
211.06487	0.8
211.08690	1.4
211.12244	1.1
212.07278	3.6
218.04538	13.8
219.05118	1.9
222.07675	1.0
224.07263	1.1
224.09329	1.0
226.03749	4.1
226.07158	1.0
227.08144	1.6
237.06406	1.0
238.08711	2.1
239.04472	1.4
239.08264	2.2
239.11874	3.4
240.05293	2.8
240.10300	2.2
241.06175	3.1
241.09990	0.8
243.11336	1.7
251.08325	1.6
252.05219	1.0
252.09004	2.4
253.06189	3.2
254.07007	3.5
255.02975	1.9
255.07738	9.7
255.10637	1.1
265.06152	1.1
265.09769	2.7
266.07965	3.2
267.04019	2.4
267.07721	6.9
267.11356	14.6
268.05161	0.8
268.09579	3.3
269.09314	8.7
271.02402	5.9
272.02896	1.2
272.08835	1.7
278.06949	2.3
280.04926	4.3
281.05637	12.5
281.09229	8.8
282.02765	2.2
282.06262	2.9
283.02539	0.9
283.07202	6.4
283.10831	5.5
293.09241	9.0
294.07318	3.3
295.07230	13.8
296.08008	7.4
299.06644	1.5
300.02722	25.6
301.03403	8.5
302.03845	1.2
306.07657	3.1
309.08807	15.2
310.09189	2.1
311.10367	80.9
312.10690	7.4
315.09869	13.2
316.10233	1.3
327.09848	15.2
328.10223	1.0
337.04181	1.8
337.08307	36.5
337.11871	1.7
338.08578	3.1
343.13022	2.2
351.09802	1.7
355.09363	22.7
369.10889	100.0
370.11224	9.1
373.17996	0.8
387.11963	42.4
388.12189	4.3
397.10327	1.0
429.12903	4.4
489.15161	1.4
505.09937	15.6
506.10010	2.0
517.13757	5.5
549.17212	78.9
549.30078	7.8
550.17462	11.8
564.97974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13992	0.2
59.01241	0.3
60.37365	0.2
70.60591	0.4
70.60928	0.2
77.03833	1.5
93.03352	0.5
119.04935	0.3
121.02844	100.0
122.03175	3.6
147.04442	0.2
165.01845	50.4
166.02190	1.9
180.05756	0.5
181.06512	2.7
196.57260	0.2
197.06007	2.7
207.04501	0.6
207.08028	0.4
217.00266	0.2
223.03932	0.3
225.05495	1.6
254.85828	0.2
257.09625	0.5
269.08319	0.2
285.09308	0.3
290.89743	0.2
301.08792	0.2
313.07193	1.0
334.07339	0.6
357.06146	0.7
373.10550	0.2
383.07751	0.7
405.29822	0.2
417.09708	1.9
492.06125	0.5
503.33646	0.3
505.11505	1.6
549.10364	24.3
550.10754	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	549.0885
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
58.02819	0.6
59.01248	10.0
63.02253	1.2
64.82619	0.4
65.00195	5.0
68.99728	0.4
70.89401	1.1
71.01250	5.5
72.99186	0.9
73.02816	1.0
74.02329	1.0
83.01253	3.1
85.02800	1.3
86.02364	0.5
87.00758	1.1
89.02320	4.1
93.03333	0.5
96.95872	3.4
98.95442	0.5
99.05450	0.6
101.02326	2.9
102.85131	0.4
106.06521	0.4
107.00580	0.4
107.01267	8.9
111.00727	1.3
113.02329	1.8
119.03374	1.4
120.99491	1.0
122.06030	0.7
122.99121	0.5
123.84699	0.5
124.01573	0.5
125.02323	2.0
128.03398	2.6
132.04440	1.3
134.06003	4.0
143.03516	0.7
143.04504	3.3
146.06071	0.5
147.04306	0.5
148.01540	2.1
149.01190	0.7
149.02347	10.0
149.99461	1.1
150.02806	0.5
151.00269	21.0
152.00737	0.5
158.02335	1.6
160.00624	0.9
160.03940	1.3
161.04396	0.6
163.00238	0.5
163.03867	0.6
168.60228	0.5
174.03130	0.7
176.03416	0.7
177.01768	0.5
188.03383	0.9
188.04875	0.6
190.05000	8.3
191.03470	0.6
191.05360	0.6
193.01318	0.7
199.03766	0.6
203.03522	0.9
210.08739	0.8
215.03346	0.9
216.04234	0.5
218.04517	1.4
222.07591	2.9
226.03719	0.8
227.03270	0.8
228.04269	0.7
231.02884	0.5
243.02805	1.4
252.09065	0.7
254.07504	1.0
255.07689	1.1
267.07697	1.3
267.11432	1.7
269.09351	1.2
271.02646	2.4
272.03162	2.1
272.08881	1.7
281.05585	1.8
281.09116	1.0
282.02457	0.6
282.06207	0.6
283.02478	1.8
283.07263	1.2
283.10635	0.6
293.09308	1.2
295.07135	1.7
296.08060	0.6
299.01932	1.1
300.02725	100.0
301.03427	41.3
302.03879	2.2
306.07602	4.9
309.08762	2.6
309.12003	0.5
311.10388	10.5
312.10645	0.6
313.03156	0.5
314.12476	1.4
315.09778	2.5
327.09763	1.9
337.08173	4.4
337.11951	5.4
338.08319	0.6
343.04553	1.1
355.09329	3.2
369.10773	13.6
369.14645	1.6
370.11078	1.3
387.11847	5.6
429.12915	1.5
463.08734	0.9
464.08591	0.5
489.26962	0.5
505.09854	61.8
506.10181	8.0
517.18414	7.7
518.18402	1.0
549.17719	11.0
549.29144	1.7
550.18341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
69.47846	76.2
70.24408	10.5
87.00732	10.3
96.57421	10.3
96.95901	18.6
97.67321	12.9
119.84869	9.4
125.00508	11.2
132.36134	9.8
221.11942	12.6
233.17476	10.5
275.19922	16.9
298.18448	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57883	0.4
57.57570	0.4
59.01249	100.0
60.01592	0.5
62.87952	0.4
67.49960	0.4
69.37099	0.4
69.48395	1.5
69.48824	1.9
71.01244	1.2
78.95779	3.4
81.22559	0.4
89.02356	0.6
92.90015	0.4
93.17879	0.4
96.95882	2.1
98.84837	0.3
99.27991	0.4
101.02323	0.8
113.02308	0.4
118.51217	0.4
124.95822	0.4
139.11143	0.9
147.64362	0.4
152.99544	2.7
171.10153	1.9
207.95815	0.4
208.14674	0.4
217.00282	0.4
234.68192	0.4
253.09271	1.9
293.21329	1.2
311.22314	6.4
312.22781	0.6
465.22769	0.6
547.35828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84125	0.4
56.96134	0.4
57.03326	0.6
58.00462	1.1
59.01248	35.1
60.36368	0.5
68.99687	0.5
69.03323	0.6
69.87077	0.4
71.01247	12.2
72.99169	1.6
73.02816	6.2
73.11429	0.4
78.95784	0.5
79.95596	4.4
83.01247	2.2
85.02817	4.7
87.00746	1.7
89.02305	7.2
95.01253	1.4
95.95093	2.1
96.95883	100.0
98.20599	0.7
98.95493	0.6
99.00765	2.6
101.02315	10.1
103.00211	0.5
113.02315	6.2
119.03402	2.4
125.02320	0.8
131.03371	0.5
135.04402	0.8
143.03377	1.2
149.04468	0.4
161.04518	0.9
179.03328	0.6
191.05476	0.9
219.14104	0.5
221.12000	0.4
235.13397	0.6
237.18518	3.2
245.11954	0.5
253.17963	1.4
299.34283	0.5
325.07431	3.7
343.08472	0.7
415.23331	2.0
459.07263	0.5
491.18665	0.5
547.14862	88.7
547.27283	15.4
548.15222	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	546.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53218	0.3
59.01247	9.7
60.80318	0.2
69.73384	1.4
69.73802	0.4
71.01243	0.7
72.99165	0.3
79.16077	0.2
79.95598	0.2
80.04527	0.2
85.02814	1.3
87.00753	0.5
89.02293	0.4
93.03339	0.4
96.95880	2.9
100.41360	0.2
108.02052	0.6
116.04945	1.0
118.02866	25.7
119.03212	0.9
119.04902	0.6
120.99541	0.7
121.02843	0.7
123.04415	1.4
124.01552	0.5
127.03912	0.3
132.25487	0.3
134.03604	0.3
135.04410	4.0
136.05200	2.1
140.54137	0.3
144.04437	3.4
146.02371	100.0
147.02713	3.2
147.04431	0.3
150.03136	0.4
151.03862	1.0
151.07503	1.1
162.05533	1.3
170.02444	0.3
173.04530	0.2
177.01776	0.3
181.12257	0.3
188.03432	3.5
190.04936	0.3
191.05524	5.9
192.05850	1.8
195.06541	40.6
196.06854	1.8
205.69328	0.2
212.60570	0.3
229.01328	0.8
230.01666	0.7
238.05792	0.4
249.05336	0.4
250.05986	0.4
253.04691	0.3
265.05008	0.8
266.05649	2.9
267.06155	3.5
268.06906	0.3
277.04733	0.5
278.05469	0.3
281.08304	1.3
282.08484	1.6
287.19702	0.3
293.04422	0.4
294.05118	1.1
295.05688	0.8
309.07614	1.0
310.08017	1.4
332.07806	1.2
338.03864	0.3
339.10678	1.0
350.08734	0.6
353.06592	5.1
354.06940	12.4
355.07108	1.2
383.11664	0.4
384.11865	0.3
399.12970	2.9
451.99966	0.3
528.14960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03324	0.6
58.00468	0.6
59.01249	100.0
60.01583	1.0
61.98696	0.5
69.03327	0.6
71.01251	24.2
71.57166	0.2
72.01584	0.4
72.99180	1.3
73.02817	12.8
74.03178	0.1
74.07391	0.1
75.00748	0.3
81.03321	0.3
82.41423	0.1
83.01257	3.9
83.04890	0.2
84.02023	0.1
85.02817	5.7
86.03150	0.2
87.00750	1.3
89.02316	9.7
93.03302	0.2
95.01266	1.9
96.95895	1.1
97.02836	0.5
99.00742	0.9
101.02319	14.9
102.02667	0.3
107.52229	0.1
109.57175	0.1
111.00785	0.2
113.02326	17.8
114.02650	0.4
115.03855	0.1
119.03386	3.1
125.02335	1.0
125.06003	0.1
131.03407	1.5
135.04427	0.2
139.68233	0.1
143.03391	1.8
149.04453	1.4
155.03387	0.4
161.04468	6.3
162.04814	0.3
179.05515	1.9
189.88028	0.1
191.05515	2.2
203.05475	0.3
211.16954	0.2
221.06598	0.2
223.16855	0.2
241.18311	0.2
249.89665	0.1
281.17438	0.2
323.25781	0.4
341.26779	0.2
353.13876	0.3
373.67755	0.1
375.03955	0.1
485.31155	3.7
486.31348	0.4
503.32312	1.6
504.32309	0.3
545.27509	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	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.9
58.00461	1.0
59.01249	41.5
61.98698	0.9
67.01748	1.4
69.03332	1.7
69.99269	3.7
71.01249	16.3
71.04887	2.0
72.99178	1.1
73.02819	3.7
73.69574	0.8
78.95820	1.0
83.01260	2.3
83.04905	2.2
85.02819	5.4
87.00751	4.1
89.02304	10.4
89.09151	0.8
91.03900	1.0
93.03336	6.1
95.01270	1.7
96.95885	3.9
97.02827	8.0
98.19888	1.3
101.02319	13.2
109.06496	1.3
111.04422	2.3
111.08039	2.1
112.98709	1.8
113.02336	6.4
115.81625	0.8
119.03388	3.9
125.02290	1.1
125.06004	0.9
125.09615	1.2
127.07565	1.0
137.09586	1.6
143.03374	1.5
161.04462	6.2
167.10692	1.0
169.01369	1.0
169.12302	1.1
171.10147	2.7
173.04510	3.5
179.05486	2.3
183.13841	3.4
185.11739	0.9
191.05534	16.6
195.13821	7.4
197.11728	7.0
209.15344	6.5
211.13367	2.0
215.07129	3.1
221.15363	5.0
223.13368	2.7
223.17004	3.5
233.06592	1.4
233.15408	4.6
239.16438	1.6
251.16447	10.1
253.09248	43.6
254.09534	1.6
273.18585	2.7
283.02188	0.9
291.19626	27.7
292.19913	2.7
309.20697	100.0
310.20987	9.0
400.81573	0.8
406.42935	0.8
448.09094	1.3
485.30975	2.4
503.31958	0.9
545.31866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	22.8
59.35217	0.4
70.02074	2.0
71.01250	3.2
73.02818	1.0
83.64389	0.4
85.02848	1.0
87.00740	0.8
89.02316	3.4
95.79066	0.4
96.95882	0.6
98.20494	0.4
101.02323	4.2
107.32462	0.4
107.34796	0.4
113.02313	1.6
119.03397	0.7
125.02335	0.7
132.54932	0.4
134.10066	0.4
143.03374	0.6
161.04471	1.6
174.99187	0.5
179.05478	0.7
205.19447	0.5
217.00301	1.2
231.17484	0.5
235.08244	2.1
249.18550	100.0
250.02292	0.4
250.18910	7.1
253.09238	15.2
281.08340	0.5
350.41595	0.4
378.78690	0.5
463.10910	0.6
469.04752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03307	2.0
57.99311	0.6
58.00474	1.4
59.01248	26.5
69.03324	2.1
70.37238	0.6
70.46331	2.3
71.00882	1.0
71.01252	12.6
71.04882	2.6
72.99171	1.7
73.02805	4.4
81.03279	0.6
83.01250	2.1
83.04875	1.1
85.02825	2.8
87.00756	2.9
87.04375	1.3
89.02314	12.2
95.01247	1.1
95.04896	0.7
96.95869	1.1
97.02833	0.8
97.06467	1.7
101.02320	13.1
108.59172	0.6
111.08012	1.1
113.02322	5.7
116.88743	0.5
119.03368	3.1
119.08556	3.2
123.08037	0.9
125.02353	0.8
125.09598	1.2
127.11144	0.9
137.09625	6.1
139.11180	0.8
143.03342	1.2
155.10698	1.1
161.04449	5.8
167.10681	1.7
171.10170	27.6
172.10458	1.0
173.04420	0.9
179.05502	2.0
181.12341	0.8
185.11755	7.5
191.05548	3.2
191.14322	0.7
193.12303	0.7
195.13844	2.5
197.11719	6.2
201.11194	1.4
205.15910	1.3
207.13837	1.6
207.17458	1.8
209.15396	23.1
210.15683	1.3
211.13326	1.5
213.11198	2.3
217.00191	0.6
221.15419	2.3
223.16982	11.7
229.19554	1.8
233.15405	7.2
235.08179	0.7
237.14960	0.7
239.16467	0.8
247.20660	1.0
251.16490	24.6
252.16783	2.0
253.09244	51.8
254.09557	2.5
263.20132	0.8
273.18576	6.2
291.19656	29.6
292.19958	2.0
309.20682	100.0
310.21106	8.2
382.98190	0.6
497.95422	0.7
531.78625	0.6
545.31000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.2
57.03313	1.4
58.00460	0.8
59.01247	21.2
59.13034	0.4
69.03323	2.3
69.65485	3.1
71.01250	23.5
72.99165	2.0
73.02815	11.2
75.00750	2.3
78.95770	1.2
79.95609	0.7
83.01250	3.9
85.02822	9.8
85.99925	0.8
87.00742	2.7
89.02312	11.7
91.01157	0.4
93.03357	0.7
95.01251	1.2
96.95887	12.3
96.96823	0.8
97.02801	2.7
99.00757	8.0
99.04382	1.0
101.01685	0.8
101.02316	11.7
113.02319	8.6
114.38530	0.4
115.03881	1.1
119.03364	1.6
125.02302	1.7
129.01802	1.1
131.03354	1.7
135.04366	0.6
141.01796	0.6
143.03336	0.8
149.04468	0.5
157.78873	0.4
159.02888	0.5
161.04468	2.3
169.01323	0.4
191.05476	3.2
232.07013	0.5
235.16986	3.5
251.16499	1.9
290.69470	0.5
354.59286	0.5
413.21826	2.0
545.25983	100.0
546.26398	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	545.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
63.18805	0.6
71.01266	0.7
83.04897	4.0
96.95901	1.1
97.02846	1.7
98.19749	1.2
98.79877	0.7
99.04362	0.5
111.04405	16.8
117.06988	0.7
119.08578	0.7
121.06501	0.7
122.03650	0.6
123.04420	0.6
131.08551	0.9
133.32726	0.6
135.08031	0.9
145.02782	0.6
145.10149	1.2
147.08080	1.3
148.05249	0.9
151.07558	1.6
157.10152	1.2
163.07585	4.4
171.11713	1.7
173.13275	19.4
174.13586	1.0
175.07567	6.1
175.11172	1.2
187.11208	1.7
189.09174	1.3
189.12820	1.1
191.05540	0.8
199.11185	3.6
215.10590	0.9
217.12286	100.0
218.12628	5.5
243.10313	0.9
257.11710	0.8
261.11313	36.1
262.11615	2.2
283.09503	5.7
301.10764	0.8
303.19614	0.6
457.23560	4.0
501.22531	10.0
502.22937	1.0
545.21552	79.3
546.21918	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	545.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	18.4
59.01251	18.6
65.63145	1.0
69.03323	1.2
69.44788	8.1
71.01263	8.1
71.04895	2.0
73.02817	6.6
78.95784	1.5
80.96385	1.4
81.79849	1.0
83.01242	2.7
83.04882	1.2
85.02819	1.4
87.00747	21.7
89.02306	3.4
96.95910	8.3
97.02808	1.5
99.00710	1.4
101.02319	5.7
107.04916	1.6
109.06487	1.5
113.02321	2.6
119.08542	1.3
120.01157	6.5
125.05975	2.3
127.00282	1.4
137.09622	7.6
143.07092	2.0
149.09605	1.8
157.08586	2.0
165.09125	1.3
174.98071	1.0
175.11162	2.0
177.09126	1.1
189.12772	1.1
207.13847	3.8
209.11765	1.9
217.12219	3.1
218.12549	1.6
235.13324	7.1
251.12920	3.7
253.14427	17.7
261.11237	1.2
262.11591	1.6
279.12308	3.0
297.13425	100.0
298.13715	7.5
339.14587	2.2
340.08789	1.1
382.13251	3.1
383.13611	11.3
420.50412	1.1
459.18640	10.5
460.18484	1.2
501.19788	35.2
502.20154	5.7
545.18488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.4
61.66766	0.3
61.98695	0.3
69.34038	1.6
69.34462	1.1
71.01252	2.1
73.02807	1.3
74.98960	2.7
79.95601	0.6
80.96370	0.4
83.01234	0.7
83.04900	0.5
85.02804	0.7
87.00760	0.7
89.02309	0.8
96.95883	17.4
97.02836	0.4
98.19832	0.6
101.02315	1.3
102.98424	0.3
111.04375	1.2
113.02314	0.9
119.03365	0.4
120.99537	100.0
121.99876	0.9
161.04532	0.3
173.13248	0.9
175.02364	0.5
177.23920	0.3
199.11189	0.4
217.12277	4.7
217.15739	0.3
251.10945	0.4
261.11270	3.7
264.96509	0.3
295.10074	1.4
323.18784	1.0
339.12387	0.5
383.11670	58.1
384.12015	5.0
425.12790	0.9
527.17902	0.3
545.17078	13.2
545.25848	1.9
546.17340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1456
Annotation	Xanthoaphin
Peak:m/z	Relative Intensity
53.45659	0.6
59.01258	4.3
69.93221	3.8
71.01257	1.2
85.02821	1.2
96.95893	2.4
113.02319	2.0
116.52020	0.7
125.02344	1.2
169.01341	1.1
186.37318	0.7
209.04422	1.0
217.00246	3.5
295.22592	0.9
395.09271	1.8
397.07104	1.9
407.05209	0.9
410.07999	1.6
411.08588	4.5
412.09280	1.5
421.07074	2.4
422.07846	1.2
426.07504	1.4
429.09631	1.1
435.05008	1.1
439.12268	1.8
441.09683	2.4
454.10736	2.7
455.11105	5.4
465.09729	3.3
466.10471	1.8
470.09695	1.0
472.11563	1.0
473.12430	2.2
483.11270	3.1
484.11575	1.0
485.12531	2.1
503.13449	1.6
509.12451	4.2
510.12292	1.2
527.13483	18.0
528.13861	2.5
531.55408	0.8
545.14551	100.0
545.29199	5.3
546.14880	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	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78873	0.3
57.03315	0.3
58.02847	0.4
59.01255	5.8
67.01791	0.6
69.03326	0.4
71.01254	2.9
71.58868	0.6
73.02825	1.0
79.95605	1.0
83.04915	0.7
85.02823	9.9
86.15694	0.3
87.00758	3.4
89.02307	1.7
93.03341	4.2
96.95263	0.9
96.95892	17.7
97.02798	0.5
99.00758	0.7
101.02338	1.8
102.01846	1.0
103.76833	0.3
108.02046	0.7
109.02836	1.1
111.00737	0.5
111.04421	0.9
113.02293	0.9
119.03447	0.5
120.99589	0.6
123.04418	0.7
125.02304	0.6
127.03928	2.6
131.03349	0.5
135.04382	1.6
137.02336	0.5
145.02831	1.4
146.03593	3.1
147.04457	1.7
149.00647	0.3
149.04475	0.7
150.03120	0.6
157.02873	1.1
157.22446	0.3
158.03625	0.6
159.04390	0.5
161.02283	0.5
171.02875	0.5
173.02393	0.9
173.04468	1.6
175.03928	0.8
179.03397	1.2
185.02351	0.8
186.02621	0.6
191.05544	56.5
192.05887	1.9
209.06049	1.6
209.11768	0.5
219.52960	0.4
221.06030	0.4
223.03992	1.2
224.04695	0.9
229.01382	7.8
230.01816	0.5
233.11324	0.3
237.05453	2.4
238.06296	2.6
239.03494	1.1
239.07114	0.5
240.04187	1.3
248.04764	1.6
249.05540	4.7
250.06264	2.4
252.04251	1.7
253.04865	0.5
265.05048	9.3
266.05823	30.5
267.06497	5.9
268.07141	1.1
269.04550	0.5
276.04205	0.7
277.05020	3.0
281.08206	13.3
282.08572	1.4
283.09848	0.9
285.04068	0.4
293.04541	5.2
294.05322	10.3
295.05618	1.1
297.04126	0.6
299.09195	1.1
299.67221	0.4
305.04474	0.4
308.06955	1.2
309.04370	0.5
309.07672	11.3
310.04681	0.5
310.07993	0.9
325.07285	0.8
337.03360	0.6
338.04321	3.4
353.06647	100.0
354.06989	10.5
371.07675	1.1
383.11026	1.3
440.43674	0.4
443.15302	0.7
456.14111	0.5
464.14142	0.4
465.14948	4.4
485.24152	0.4
501.14163	0.7
503.24957	0.5
512.83557	0.5
545.12891	2.0
545.25739	3.1
546.26416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.7
59.01246	11.2
62.82454	0.4
67.01764	1.0
69.03319	0.4
69.45397	0.4
69.68187	2.9
71.01231	2.1
71.38821	0.4
73.02829	0.9
74.98989	0.4
76.13726	0.4
79.20170	0.4
79.95612	1.3
81.03302	0.5
83.04932	0.5
85.02823	8.3
87.00735	3.0
89.02314	0.6
92.05002	0.4
93.03311	3.5
96.95889	9.3
98.20528	0.6
99.00792	0.4
101.02306	0.6
108.02065	1.6
109.02830	2.0
111.04383	1.3
113.02340	0.7
116.04910	0.6
118.02865	20.7
119.04922	0.6
120.99532	9.5
121.02842	1.1
123.04414	1.7
127.03898	1.7
133.02861	0.5
135.04404	3.1
136.05133	2.0
136.99091	0.6
137.02368	0.5
144.04459	2.6
145.02837	1.5
146.02376	79.7
147.04408	2.8
149.02417	0.4
150.03125	0.5
151.03909	1.4
151.07539	1.5
157.02893	1.1
158.03622	0.6
159.04346	1.0
161.05922	0.5
162.05502	0.9
170.02339	0.5
171.02864	0.6
173.02274	0.6
173.04553	1.3
173.05994	0.5
175.03990	0.9
185.02376	1.3
188.03436	3.1
189.01601	0.4
191.05525	49.8
192.05928	1.5
195.06543	31.4
196.62753	0.4
209.06062	1.7
210.06732	0.6
217.12346	0.7
221.06110	0.8
222.71567	0.5
223.03964	1.5
224.04707	0.9
228.00661	0.9
229.01357	11.5
230.01761	0.7
233.06247	0.5
237.05588	2.7
238.06226	2.7
239.03452	0.7
240.04285	1.1
248.04654	1.8
249.05528	5.1
250.06271	1.9
252.04187	2.2
261.11298	0.6
264.04205	0.6
265.05054	12.4
266.05798	36.0
267.06436	8.0
268.07114	1.1
276.04227	1.7
277.05072	3.4
281.08185	17.6
282.08551	2.0
283.09799	1.2
291.06564	0.8
293.04550	5.9
294.01953	0.7
294.05301	12.9
295.05734	1.3
298.04651	0.5
299.09277	1.3
308.06912	1.1
309.04169	0.6
309.07639	14.6
310.04593	0.5
310.08008	1.4
325.07205	1.0
327.08469	0.6
332.07684	0.7
335.05597	0.6
338.04388	2.3
339.10681	0.8
342.61276	0.4
353.06628	100.0
354.06955	10.0
371.07697	0.7
383.11642	6.0
384.12134	0.6
399.13062	2.4
501.13925	0.5
528.15338	1.0
545.12860	1.5
545.25568	0.6
546.16693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13029	0.6
58.33508	0.5
59.01254	9.3
67.01753	0.5
71.01245	1.6
71.30029	1.2
73.02782	0.6
74.98988	0.5
77.67609	0.6
79.95596	1.0
81.03346	0.7
83.04918	0.8
85.02833	8.5
87.00764	2.9
89.02312	0.8
93.03333	4.0
96.95892	7.8
101.02297	0.9
108.02042	1.5
109.02837	1.6
111.04350	1.0
118.02882	21.6
120.99547	8.0
121.02818	1.0
122.84999	0.5
123.04413	2.1
124.01493	0.8
125.02366	0.7
127.03883	2.3
135.04385	2.5
136.05148	0.9
137.02367	0.7
144.04478	3.1
145.02797	1.3
146.02393	68.4
147.04408	2.4
149.87685	0.6
151.03944	1.1
151.07553	1.1
157.02956	1.0
158.03531	0.6
159.04431	0.8
162.05524	1.0
173.02316	0.9
173.04498	0.8
175.03914	0.9
177.01849	0.6
185.02420	0.9
188.03456	2.1
191.05550	46.1
192.05911	2.4
195.06570	28.0
209.05995	1.3
221.05986	1.1
221.99719	0.6
223.04131	1.0
224.04738	1.1
229.01378	10.3
230.01784	0.7
237.05449	3.7
238.06374	3.0
240.04253	1.4
248.04767	1.7
249.05534	6.1
250.06303	3.0
252.04262	2.5
265.05081	13.3
266.05838	38.4
267.06470	7.2
276.04416	1.8
277.04980	3.2
281.08176	15.2
281.11057	1.1
282.08575	1.7
283.09689	1.7
293.04568	6.1
294.05328	11.1
295.05679	0.8
299.09155	1.3
308.07162	1.1
309.07681	14.1
310.04907	0.6
310.08206	1.0
319.02316	0.8
322.82126	0.7
325.07068	0.8
332.07617	0.8
337.03448	0.6
337.58575	0.7
338.04327	1.0
339.10773	0.7
353.06662	100.0
354.06982	9.5
383.11768	5.3
399.12933	2.1
528.14661	1.1
545.12695	1.2
545.25854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45187	0.1
59.01246	0.9
62.89139	0.1
69.03345	0.1
71.01253	0.4
71.58395	0.2
73.02856	0.1
74.98988	0.5
78.83780	0.1
78.95760	0.1
79.95606	2.2
85.02808	1.2
87.00742	0.4
89.02323	0.2
91.20568	0.1
93.03329	0.5
96.95885	100.0
97.94878	0.1
97.95804	0.4
98.95428	0.2
101.02299	0.3
105.83670	0.1
109.02848	0.2
111.28584	0.1
112.98702	0.1
113.02327	0.2
120.99536	1.5
123.04440	0.1
133.02831	0.2
135.04379	0.1
145.02853	0.3
146.02362	0.2
157.02815	0.2
159.04384	0.1
173.04520	0.2
175.03983	0.2
184.90129	0.1
191.05527	6.9
192.05893	0.3
209.06029	0.4
221.05925	0.1
229.01405	1.0
237.05579	0.3
238.06334	0.3
239.03543	0.2
249.05574	0.6
250.06296	0.2
252.04373	0.2
265.05045	1.5
266.05801	4.3
267.06479	1.1
276.04382	0.2
277.05035	0.5
281.08173	2.3
283.09601	0.2
284.03259	1.4
285.04044	2.8
286.04495	0.3
292.07388	0.2
293.04507	0.7
294.05328	1.6
296.06848	0.2
299.04532	0.1
299.08820	0.1
308.06879	0.3
309.04300	0.2
309.07614	1.9
311.09183	0.2
325.28558	0.1
327.08673	0.2
337.03625	0.2
338.04315	0.4
353.06625	14.0
354.06955	1.2
383.00784	0.3
383.11621	0.6
447.09241	3.3
448.09485	0.3
501.14389	0.1
527.15814	0.2
545.26160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01238	3.9
69.67731	1.1
71.01234	2.2
71.57935	1.3
83.04940	1.0
85.02833	1.9
87.00738	2.9
88.42361	1.0
96.95873	4.9
100.88482	1.0
111.04388	3.6
120.01130	73.1
128.03357	1.4
132.25177	1.1
137.06027	1.2
152.20937	1.1
155.03445	1.0
166.55510	1.0
170.61716	1.0
171.11884	1.0
172.94052	1.2
173.13272	3.1
175.07574	1.3
191.05534	13.2
199.11220	1.7
207.11998	1.6
217.12282	17.5
251.11104	1.6
253.14514	1.6
261.11261	18.0
262.11652	1.9
295.10086	2.9
297.13464	8.1
350.27402	1.1
382.13269	100.0
383.13605	8.9
501.19604	2.6
544.18420	7.4
544.26300	2.2
545.18951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01606	0.8
57.03312	0.9
59.01247	28.5
61.98691	1.6
62.56565	0.8
63.26445	1.1
67.01442	0.9
68.01279	1.3
71.01246	16.0
71.57998	1.2
71.58356	0.9
72.74355	0.9
72.99158	2.5
73.02807	2.5
79.95609	22.6
80.96372	2.1
82.19782	0.9
83.01231	1.1
85.02818	3.7
87.00749	3.2
89.02312	10.4
95.95087	4.6
96.95887	92.9
98.02326	3.5
99.00746	2.5
101.02316	10.0
111.00793	0.9
113.02315	5.9
119.03377	3.7
119.08546	1.5
123.51713	1.1
125.02334	0.9
138.96973	1.5
147.08046	6.3
151.00244	1.0
161.04427	1.9
179.05536	1.6
187.94872	0.9
191.05611	1.5
206.93668	0.9
222.29607	0.9
241.00188	3.7
364.08588	1.5
381.09647	1.3
382.10046	1.5
489.10468	1.8
493.76456	0.9
511.38354	0.9
524.94434	1.0
528.24817	0.9
544.14941	100.0
544.23669	3.1
545.15271	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	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03310	1.7
58.00473	0.9
58.91032	0.4
59.01247	100.0
60.01596	0.8
61.98674	0.6
66.59850	0.3
66.79123	0.3
69.03336	1.1
71.01250	28.7
71.59128	0.4
72.99182	1.2
73.02814	10.9
73.10587	0.3
75.00699	0.4
83.01258	4.1
84.98473	0.4
85.02818	10.2
85.06947	0.4
85.99982	0.7
87.00745	3.9
87.04382	7.4
87.04882	0.6
89.02312	11.7
93.03335	0.6
95.01245	2.2
95.04917	1.3
95.62981	0.3
96.95888	2.5
97.02845	0.9
99.00752	2.7
101.02318	20.2
102.02691	0.4
111.00753	2.4
112.01579	0.6
112.98705	1.2
113.02321	14.1
113.05971	0.7
114.02682	0.5
116.97159	0.4
119.03392	3.6
121.02810	1.0
124.01569	0.5
125.02348	1.5
125.05987	0.6
129.01880	0.5
133.02875	0.8
135.04372	0.4
143.03354	2.1
149.00824	0.4
149.04504	0.4
151.94606	0.4
159.02917	0.7
161.04478	7.2
163.14825	0.9
179.05536	2.0
191.14346	0.5
195.35785	0.4
197.11794	0.5
205.03490	0.6
209.11867	1.1
215.18102	0.5
231.08905	0.4
241.64023	0.4
248.54889	0.4
253.09195	1.9
255.02901	5.0
256.03250	0.6
267.19559	0.6
283.02512	3.3
284.03400	0.5
289.18094	6.2
290.18469	0.5
307.19183	1.3
339.25314	3.6
340.25711	0.7
353.05936	0.5
367.15485	0.4
369.22818	5.1
395.24332	6.9
413.25400	1.9
414.26227	0.6
446.08487	6.1
447.09222	0.9
447.27832	0.6
465.28888	1.5
471.85956	0.5
483.29596	30.7
484.29926	4.1
501.30667	24.5
501.38159	0.6
502.30966	3.1
525.27234	0.9
543.15106	0.5
543.31866	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48412	3.7
53.00510	3.3
59.01252	58.3
60.00795	4.3
60.99186	7.1
61.98700	6.5
62.91378	4.0
69.03330	9.4
71.01241	19.8
71.58434	4.9
72.81216	3.8
72.99172	44.9
73.02813	7.7
74.98982	12.4
75.00753	15.2
78.98446	4.3
79.95607	6.8
80.96400	40.8
81.03332	15.3
82.00384	3.9
83.01234	4.3
83.04893	63.6
87.00768	10.8
88.98669	27.3
89.02327	17.0
89.99041	4.4
90.01830	17.5
90.98531	3.8
91.00229	26.5
92.25020	3.7
94.97952	10.9
96.95895	15.2
97.02818	4.8
98.02315	5.2
98.57200	3.6
99.50951	3.4
101.02332	14.7
103.00253	16.0
104.07980	3.4
106.98048	4.9
107.04890	3.7
109.02821	4.2
110.50095	3.6
113.02349	8.5
118.97987	30.5
121.06493	3.6
125.07078	11.5
142.06461	3.4
142.97902	4.3
149.00792	4.4
153.01863	3.9
164.98514	5.3
168.30106	3.7
207.14970	4.6
217.12268	7.0
224.17664	15.9
225.00711	9.5
225.16045	20.9
251.12909	5.9
295.11874	59.8
309.13443	7.0
314.15372	3.9
333.22961	20.4
337.13171	20.1
351.24118	8.3
369.25186	6.2
381.10117	34.7
382.10522	4.2
447.29886	26.1
448.30630	8.7
449.31390	38.6
450.31805	18.9
451.32828	100.0
452.33188	18.6
465.30707	23.8
466.31317	16.2
483.31842	8.7
525.16095	18.6
543.17090	47.6
543.24731	4.2
544.17511	8.3
544.32629	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	543.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08632	1.0
59.01250	100.0
67.92613	1.0
69.95094	5.1
78.95782	2.1
92.86415	1.0
96.95889	26.0
98.19945	1.7
255.23314	4.5
276.68924	1.2
331.43320	1.2
438.61707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96350	2.0
53.34782	1.6
59.01249	100.0
68.07458	1.8
71.01246	2.6
71.55266	1.7
71.55595	3.0
78.95741	9.6
80.96379	5.4
82.95954	3.4
94.97976	2.2
96.95883	5.4
145.72440	1.8
162.83792	3.6
167.01100	4.5
183.19841	1.7
188.97156	2.1
210.43796	1.6
223.08186	5.7
227.88013	1.9
277.21701	81.7
278.22122	7.6
298.17725	1.8
375.60583	2.1
445.23758	2.2
543.26794	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	543.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27779	0.1
55.01749	0.7
56.18076	0.1
57.03321	1.7
58.00472	0.4
59.01252	100.0
60.01596	1.0
60.50752	0.1
68.99680	0.1
69.03338	0.7
69.28883	1.5
71.01257	22.5
72.99189	0.6
73.02822	5.9
75.00758	0.4
78.95797	0.2
81.03347	0.2
83.01260	2.9
83.04921	0.2
84.02048	0.3
85.02825	10.4
86.00002	0.3
87.00754	1.5
87.04391	2.4
89.02318	7.5
95.01267	2.2
96.95914	1.0
97.02837	0.8
97.06496	0.2
98.19766	0.3
99.00762	2.8
101.02324	12.9
102.02692	0.2
102.98499	0.2
111.00791	0.4
112.01617	0.3
113.02332	16.6
114.02706	0.4
115.03887	0.3
119.03391	3.2
124.01572	0.3
125.02347	1.2
129.01849	0.2
131.03432	0.4
135.04454	0.2
141.01910	0.2
143.03404	2.6
149.04463	0.3
152.99512	0.2
159.02898	1.7
161.04469	10.6
162.04939	0.2
163.14844	0.2
166.90233	0.2
179.05550	1.5
191.05600	0.2
205.03477	0.3
210.89175	2.2
215.18013	0.2
227.53688	0.1
251.20195	0.2
315.17960	0.2
321.24432	0.2
339.25314	1.4
371.20731	1.8
389.21854	0.3
395.24210	0.9
407.24274	0.4
413.25317	0.9
425.25305	0.2
453.28589	0.5
465.28564	0.7
483.29636	22.9
484.29993	3.2
495.01596	0.1
501.30685	12.5
502.31146	1.3
543.31116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28302	0.9
58.00467	2.4
59.01247	9.4
68.41499	1.0
69.53026	8.4
71.01257	1.5
72.99200	2.1
73.02816	1.6
74.98959	1.8
76.48863	1.0
80.96377	2.3
83.04919	1.7
85.02795	1.4
87.00748	6.1
89.02322	1.4
89.92728	0.9
96.95888	5.2
98.20564	1.1
101.02253	1.0
103.00249	15.9
107.04930	1.1
118.97963	2.9
119.08532	1.4
147.11723	1.0
155.03467	1.2
175.11143	2.5
177.12700	1.0
177.92580	1.0
187.11217	1.2
189.12791	1.7
191.10719	1.7
203.10739	1.9
205.12164	2.6
217.12303	2.0
221.11694	2.9
229.21767	1.0
244.80348	1.0
247.09473	1.7
249.11273	1.9
251.12868	6.7
256.66263	1.0
295.11847	100.0
296.12234	7.6
309.13553	7.7
317.84982	1.3
337.12878	13.8
338.13086	1.8
381.10168	3.9
543.16943	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	543.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01252	43.2
59.58169	1.1
69.03323	2.3
69.74435	7.4
69.74842	2.4
71.01254	12.2
71.64516	1.1
72.99164	1.3
73.02824	2.7
75.00736	2.2
75.18833	1.4
78.95776	8.6
83.04912	2.3
85.02821	5.2
87.00748	54.5
89.02323	6.0
96.95895	12.0
96.96807	1.3
97.02800	2.2
99.00746	2.7
101.02324	8.5
109.02832	4.9
109.74384	1.3
110.03192	1.3
113.02326	8.7
113.49851	1.4
113.63689	1.2
118.10101	1.4
119.03337	2.1
119.08553	3.3
125.02335	3.2
134.42087	1.6
135.04372	2.3
137.09532	1.4
143.03415	5.2
149.00766	1.8
149.04445	2.0
151.00233	1.8
153.01840	4.0
164.51872	1.2
173.13359	1.6
185.01018	1.7
187.11247	1.4
189.11340	1.2
189.12823	6.6
191.05492	1.9
191.10643	1.6
205.12166	1.3
217.12218	4.3
231.13855	1.6
233.11674	1.5
235.13333	9.0
261.11404	1.8
279.12357	100.0
280.12723	9.1
293.13910	8.4
304.13605	1.5
321.13382	39.9
321.16986	2.6
322.13745	4.4
346.05447	3.2
347.05869	1.6
381.09946	2.7
477.96405	1.5
543.24976	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	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01594	1.1
61.98700	0.4
65.57904	0.2
70.54247	0.7
71.01250	0.9
73.02821	0.4
76.04948	0.2
77.15668	0.2
78.95770	0.3
83.01292	0.2
85.02837	0.2
88.21206	0.2
89.02322	0.5
89.50664	0.2
89.92958	0.2
96.95916	0.8
101.02321	0.7
110.30728	0.2
113.02358	0.4
116.92744	0.2
121.02842	0.3
157.08632	0.2
159.58989	0.2
178.28555	0.2
221.39677	0.2
321.24457	0.3
439.84491	0.2
514.58569	0.2
541.30402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	2.2
59.01252	9.4
71.01205	2.1
71.57787	2.0
73.02818	2.5
75.13798	1.9
77.64345	1.7
81.19708	1.5
84.54636	1.7
84.83398	1.6
85.60226	1.8
87.00752	4.6
89.02307	2.0
93.03317	2.3
95.76785	1.7
96.95902	15.0
103.00249	14.2
113.02422	1.8
116.12354	1.8
118.02854	5.1
134.03618	2.6
146.02382	16.5
156.00510	1.7
158.72702	1.5
159.20201	1.7
175.11124	3.8
178.02669	2.1
191.05518	2.9
191.10730	1.8
193.04887	3.3
203.10616	1.8
205.12346	3.8
249.11301	1.8
251.12791	6.8
295.11850	100.0
296.12149	6.5
309.13290	9.0
337.12967	14.6
382.83737	2.0
543.17145	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	64.7
67.25261	2.8
69.03368	2.7
70.22141	2.9
71.01257	23.3
71.36932	6.4
73.02827	22.4
83.01276	3.1
85.02801	6.6
87.00734	6.2
89.02318	7.8
96.95890	8.1
101.02316	20.0
103.05032	3.0
113.02333	5.0
116.97142	5.5
117.27432	2.7
131.18219	2.7
202.98698	3.0
213.14879	3.8
217.00356	4.8
245.62119	3.1
275.20206	9.6
293.21237	37.1
294.21631	3.5
366.29031	3.0
410.46216	3.0
414.95078	2.9
437.25351	9.6
455.26379	16.8
497.27582	100.0
498.27878	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	541.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77962	0.5
59.01242	1.9
63.96105	1.1
69.03296	0.7
71.01253	7.6
71.58832	0.7
73.02804	1.0
75.19850	0.5
76.90996	0.5
78.95772	2.1
78.98457	6.5
79.95604	10.2
80.32423	0.5
80.96386	68.6
81.03336	0.8
85.02831	3.1
87.00749	4.2
94.97955	17.0
96.95890	1.4
97.02829	1.6
99.00747	0.9
101.02325	2.4
103.30365	0.6
106.97952	2.9
110.09640	0.5
112.98671	1.3
122.97438	2.6
125.02339	3.2
134.03632	1.8
134.97469	5.4
136.99039	1.4
148.99045	6.8
152.98508	6.0
152.99535	2.0
160.84145	0.6
164.98528	11.9
164.99818	1.0
171.00546	0.6
192.95660	0.5
206.99728	2.5
224.98416	0.8
225.00677	16.4
241.21718	2.1
245.04286	3.1
253.21594	1.7
299.04465	4.2
337.65753	0.5
474.71124	2.6
475.21017	1.1
481.25595	3.0
482.26303	0.9
541.26874	100.0
542.27136	12.9
542.34937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3014
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.79301	0.5
55.01741	1.1
57.03321	1.9
58.00467	0.7
59.01250	100.0
60.01589	1.3
61.98687	0.5
69.03329	1.1
71.01254	22.3
71.58469	0.7
71.58832	0.6
72.99182	1.8
73.02814	6.3
73.51506	0.4
75.00739	0.6
78.95790	0.9
83.01254	3.7
83.04903	1.1
84.39556	0.4
85.02818	9.4
87.00719	2.3
89.02316	11.2
89.02825	0.7
95.01254	2.9
96.95876	4.5
97.02838	1.1
97.06468	1.1
99.00742	2.2
99.04400	0.9
101.02324	13.5
101.05976	1.8
103.39126	0.4
109.02885	0.5
109.06458	0.6
111.00824	0.4
112.01503	0.7
112.98711	0.6
113.02329	23.0
114.02647	0.6
119.03378	4.6
121.02895	0.5
125.02365	0.9
131.03455	1.2
133.02827	0.4
135.04457	0.7
137.02374	0.8
139.03990	0.6
142.69211	0.5
143.03418	2.0
143.40567	0.5
149.00874	0.7
149.04475	0.7
151.03883	0.5
159.02950	0.7
161.04434	5.6
162.88969	0.5
179.03391	0.4
179.05580	1.6
194.70676	0.5
201.01581	0.5
307.17722	1.4
319.19229	1.1
319.22800	0.6
337.23978	1.3
367.21555	0.6
393.22922	1.5
411.23953	0.7
463.27136	1.5
481.28033	15.1
481.38034	0.8
482.28473	3.3
499.29184	8.0
500.29605	1.7
541.29535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40605	0.9
54.77477	0.8
56.43587	0.8
59.01252	20.8
68.63287	0.7
70.41711	2.6
71.01259	5.9
73.02816	5.8
74.02345	4.1
74.98972	1.8
79.10341	0.8
81.03357	1.9
83.01257	2.2
85.02821	4.4
87.00755	1.2
89.02302	1.6
93.03310	1.1
95.01270	3.5
96.95878	6.4
97.02818	1.0
101.02342	4.0
108.02053	61.8
109.02839	53.9
110.03211	1.7
113.02316	2.0
113.05977	2.3
115.03921	1.1
116.03444	4.6
123.00743	2.4
123.04387	1.3
135.04468	1.6
139.11189	8.2
140.11557	0.9
151.03954	1.1
152.01060	75.1
153.01849	35.1
161.04384	1.1
163.04005	1.3
165.01794	0.9
174.55063	0.9
181.12215	1.9
183.10158	7.9
225.11324	2.1
243.12279	1.6
263.12909	2.2
264.13214	2.0
319.18985	1.0
379.38367	1.0
393.87616	0.8
479.19312	4.1
481.17221	5.6
497.20258	5.6
498.20566	1.2
523.18097	3.3
541.19244	100.0
542.19690	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	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
58.02842	0.6
59.01251	6.7
64.15484	0.2
69.03333	0.5
71.01251	2.1
72.00779	0.4
72.99170	0.4
73.02820	3.2
73.03951	0.3
74.02338	4.5
74.98954	0.5
75.00750	2.2
78.95811	0.3
81.03323	0.7
83.01267	1.9
85.02803	0.9
87.00746	0.9
87.04407	0.5
88.64967	0.3
89.02316	0.7
91.01773	0.5
92.92777	0.3
96.95898	1.0
97.02855	0.4
98.19754	0.7
99.00767	0.9
99.92472	0.4
101.02308	2.0
102.01851	0.4
108.02045	4.6
109.02833	77.0
110.03177	2.2
111.42565	0.3
111.43402	0.3
113.02319	0.6
116.03413	3.3
116.92741	5.9
117.01807	2.3
117.02969	2.1
117.03716	0.6
117.05456	0.9
117.92758	0.4
118.04993	0.4
121.43473	0.3
123.21458	0.3
125.02336	0.4
135.04376	0.4
139.11203	1.9
153.01837	100.0
154.02191	3.0
161.04543	0.4
169.12283	0.7
179.10727	0.5
181.12257	0.7
183.10179	4.6
189.12843	0.4
197.11797	0.8
217.12405	0.3
225.11263	5.2
227.12810	1.6
231.09908	0.3
243.12328	5.8
244.12798	0.3
249.11243	0.5
253.07100	0.4
261.11414	0.5
267.12408	1.1
285.13525	0.6
291.12354	1.7
309.13641	0.4
318.13449	1.0
319.13763	1.5
327.14432	2.1
387.16592	9.3
388.16702	0.5
523.21594	0.4
541.18359	6.9
542.18921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21946	0.4
57.03323	0.8
59.01249	13.5
63.25727	0.4
69.03312	0.9
71.01249	3.7
71.04881	0.6
73.02810	3.0
74.02342	2.7
74.98975	0.8
81.03333	1.3
83.01249	1.7
83.02390	0.4
85.02812	4.2
87.00752	0.9
87.04401	0.5
89.02309	0.7
93.03295	0.7
95.01257	3.8
96.95899	3.8
97.02833	0.6
98.20564	0.7
101.02318	1.9
107.08068	0.4
108.02045	60.0
109.02839	40.1
110.03172	1.3
111.04462	0.4
113.02329	1.1
115.00229	0.4
115.03176	0.4
115.03932	1.2
116.03414	3.0
119.03454	0.4
121.02805	0.6
123.00749	2.7
123.04372	0.9
125.02335	0.4
135.04376	0.9
137.02321	0.7
139.11163	6.1
149.00819	0.6
151.03874	1.2
152.01048	58.5
152.36906	0.4
153.01837	24.8
154.02177	0.8
161.02400	0.5
163.03912	1.2
165.01784	0.6
165.09067	0.7
169.12086	0.4
181.12222	1.5
183.10176	8.1
183.11777	0.5
185.44846	0.4
185.64247	0.4
188.98479	0.4
218.74348	0.4
225.11276	2.3
243.12277	1.7
263.12863	1.0
264.13266	0.5
305.17703	0.6
315.07037	0.6
327.14490	0.6
385.80200	0.4
387.16498	0.5
463.61520	0.4
479.19180	3.3
481.17169	5.1
481.23953	0.7
482.17188	0.8
497.20319	5.5
498.20624	0.9
523.18195	3.1
530.88562	0.5
541.19208	100.0
542.19550	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	540.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98597	0.4
59.01247	23.4
71.29067	0.6
71.29395	0.6
73.11385	0.4
76.85361	0.4
78.95775	16.4
79.95605	1.0
80.96393	2.8
87.00779	0.7
94.97935	0.7
96.95860	0.5
122.98428	0.4
149.00842	0.4
152.99490	2.1
164.98503	0.8
168.04245	2.9
189.09570	0.4
199.75208	0.4
224.06885	7.4
225.00713	0.6
241.21684	100.0
242.08005	1.6
242.22031	7.6
466.29355	61.2
467.29700	7.4
474.20795	1.1
541.26923	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	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	7.6
59.01247	11.4
69.91914	6.0
69.92326	3.6
71.01254	4.2
72.04418	3.4
73.02818	4.0
74.02345	37.7
75.00746	9.5
76.18758	1.6
80.04945	2.2
83.02394	3.3
87.00766	4.5
89.02322	2.2
89.36944	1.4
96.95918	12.1
96.96487	1.7
98.02307	4.0
99.00755	2.4
105.06990	1.6
113.02300	2.9
115.00278	1.5
115.03896	5.7
116.03423	63.1
116.07057	9.1
116.92738	12.2
117.01845	10.5
117.02918	5.8
117.05469	2.3
126.01833	4.6
133.81844	2.1
134.05959	2.6
152.07069	4.3
171.11736	2.1
192.06693	3.0
212.14423	2.2
217.12260	7.4
230.15448	3.0
256.13379	2.5
261.11395	9.0
262.11414	2.1
274.14481	6.9
288.12381	3.2
302.13913	2.4
303.12207	2.3
318.13452	100.0
319.13721	8.8
325.11911	2.1
332.14941	4.2
357.14651	2.9
360.14651	17.3
369.55304	1.7
407.57544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.1
61.98704	0.3
71.01261	1.0
72.99187	0.3
73.02818	0.5
78.95783	0.8
79.95654	0.2
83.01270	0.3
85.02831	0.4
87.00756	0.4
89.02332	0.4
96.95881	1.7
98.20592	0.4
101.02325	0.6
133.02840	0.7
134.03636	0.9
135.04436	0.7
137.02348	0.2
147.04269	0.2
149.00806	0.4
149.04622	0.2
152.11990	0.2
177.01866	0.3
178.02625	0.9
179.03445	0.3
183.13805	0.2
191.05548	0.7
193.01340	0.4
211.13315	1.7
247.09683	0.3
327.16223	0.3
335.22275	100.0
336.22614	10.4
345.17068	1.2
389.16046	0.9
465.43539	0.2
503.06339	0.4
539.28381	0.5
540.29688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25398	0.2
56.15681	0.2
58.74245	0.2
59.01248	100.0
60.01579	1.1
61.98703	0.5
71.01240	0.5
72.99197	0.2
73.02854	0.3
78.95798	0.5
85.02831	0.2
87.00779	0.3
89.02294	0.3
96.95872	1.4
101.02353	0.4
105.03214	0.2
109.02803	0.3
113.02351	0.3
118.96850	0.3
121.02866	0.3
134.03741	0.2
135.04385	0.3
149.00890	0.2
152.10956	0.2
153.01836	0.4
166.58934	0.2
174.99214	0.6
189.72191	0.2
197.11772	0.2
217.00238	1.8
218.55945	0.2
249.53751	0.2
311.22507	0.3
374.99374	1.3
479.26990	0.3
539.26978	0.4
555.71753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2858
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
59.01246	31.8
61.98703	1.2
70.35444	2.2
71.01252	10.9
72.99169	2.1
73.02816	4.8
78.95773	1.1
83.01257	1.1
85.02806	2.7
87.00745	3.0
89.02316	3.9
96.95873	1.3
98.20382	0.8
101.02318	8.1
108.02026	0.8
113.02334	4.4
119.03381	2.4
123.04428	0.7
124.49759	0.5
131.03284	0.6
133.02858	1.5
134.03592	1.3
135.04440	6.6
136.04739	2.3
137.04834	0.6
143.03410	0.6
149.00826	2.9
149.38722	0.6
159.02896	0.6
161.04478	3.0
165.62544	0.7
175.03894	1.3
175.07666	0.7
178.02640	1.3
179.03409	5.9
179.05589	1.3
180.03697	3.0
181.03862	1.7
182.29730	0.7
187.07678	0.9
192.00677	0.6
201.05379	0.9
201.08826	0.7
203.07146	0.9
204.07930	0.9
205.08659	0.7
225.84213	0.6
229.08716	0.8
230.09361	1.2
232.07230	1.0
247.09796	1.8
248.10416	1.0
265.10782	1.2
317.21182	28.2
318.21481	2.3
335.22159	5.3
336.22702	0.7
345.16983	2.6
389.15897	2.7
407.16995	2.1
437.96698	0.7
450.58142	0.6
479.26474	18.0
480.26581	2.2
497.27530	2.9
539.28564	100.0
540.28796	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	539.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94942	1.4
56.47656	1.4
57.03315	3.3
58.00467	2.4
59.01250	100.0
59.44939	1.3
61.98682	1.5
69.51231	11.8
71.01251	18.8
72.99178	15.6
73.02819	8.2
75.00755	2.5
76.16261	1.5
78.95775	4.3
79.95592	3.4
83.01263	4.4
85.02824	5.1
87.00745	28.4
87.04350	1.6
89.02325	6.5
93.03352	1.6
95.95107	1.7
96.95896	12.5
97.02840	1.9
99.00745	2.2
101.02318	8.4
103.00245	5.7
107.04907	68.6
108.02057	1.7
108.05288	2.6
109.02846	8.2
112.98706	11.1
113.02337	5.6
116.56664	1.5
119.03329	1.7
120.90121	1.5
123.04351	3.0
125.02367	2.0
130.99814	2.4
133.02882	2.6
134.03638	4.6
135.04411	3.4
137.02328	4.6
139.11188	12.8
141.01590	12.1
146.03563	1.8
147.04382	4.0
149.00821	37.8
151.03903	21.1
158.07301	1.5
159.04402	2.1
159.08119	1.6
161.02367	2.4
161.06003	3.0
169.12347	1.8
173.06001	5.2
174.03113	2.0
174.06761	3.2
175.03900	8.4
175.07590	6.5
177.05516	7.0
178.02644	2.5
179.03456	2.1
179.10677	1.5
181.12280	5.7
183.10182	21.6
185.06117	1.9
186.06767	3.7
187.07559	6.0
189.05504	4.4
189.09068	1.7
191.07071	1.7
199.07538	3.0
200.04651	2.5
201.05524	7.7
201.09175	2.9
202.09697	1.7
203.07088	13.9
204.07843	12.8
205.08633	3.5
206.09201	1.7
211.13304	7.2
214.06337	6.1
215.07066	5.0
215.12805	1.9
217.08730	4.9
218.09561	1.6
219.09996	2.4
225.11269	11.7
227.06837	1.6
229.08585	7.7
230.09454	14.6
231.09991	2.1
232.07367	26.1
233.07962	5.3
243.12408	4.8
244.10941	2.7
247.09790	12.7
248.10486	15.5
249.11215	5.4
273.14972	4.7
275.09058	1.9
291.12375	2.4
291.15887	2.2
301.14453	12.6
302.14890	2.4
317.17667	2.2
327.16049	8.6
329.13983	6.9
345.17059	27.2
346.17313	2.2
363.18216	3.4
371.15192	2.4
386.07678	1.5
389.16037	37.2
390.16464	3.6
407.17068	50.2
408.17523	6.7
437.50552	1.6
453.20505	4.2
477.21649	3.0
479.26776	1.8
481.82300	1.6
495.16299	1.6
495.22217	7.9
530.91638	1.6
539.21436	59.0
539.34326	4.8
540.22101	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	539.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.4
59.01249	8.8
60.23027	0.3
64.34544	0.4
68.99712	0.5
69.03322	0.3
71.01251	3.3
71.04854	0.4
71.57940	0.4
72.04404	0.6
73.02805	1.0
74.02341	3.2
77.15603	0.3
78.95779	0.6
79.95612	0.4
81.03329	1.0
83.01245	0.8
83.02353	0.4
85.02803	1.9
87.00756	1.4
89.02301	0.6
89.71499	0.3
90.93233	0.7
91.01765	0.7
93.03346	0.3
95.01266	0.5
96.95885	8.5
97.02835	0.4
98.95442	0.6
99.04365	0.4
101.02312	1.8
108.02045	15.1
109.02828	87.7
110.03170	2.6
112.98634	0.3
113.02328	1.3
113.03401	0.5
115.00254	0.9
115.03896	2.1
116.03412	6.2
116.07064	0.5
119.08478	0.5
121.02827	0.4
123.00778	2.4
123.04430	1.8
125.02348	0.6
135.04396	1.3
135.08075	0.6
137.02361	0.4
137.09616	1.0
141.01604	0.5
149.00758	0.7
150.03125	0.4
151.00346	0.5
151.03915	1.0
151.99765	0.6
152.01048	21.1
153.01828	100.0
154.02156	3.1
154.34955	0.4
161.09489	0.4
163.03847	0.6
163.07489	0.6
165.05458	0.7
171.41199	0.4
179.03426	1.0
179.10751	0.8
181.08615	1.2
186.08899	0.4
191.05530	1.5
195.02951	0.7
197.11766	0.7
211.49698	0.4
230.75261	0.3
241.10654	0.5
258.97156	0.5
261.11349	1.3
297.06168	0.7
315.07199	8.3
315.10620	0.7
316.07471	0.9
318.13419	1.4
377.07770	0.7
477.17841	2.2
479.15527	2.5
479.31882	0.6
495.18533	2.0
521.16571	1.0
539.17651	87.8
540.18011	13.1
553.97223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22958	1.1
58.00456	1.4
59.01250	30.0
70.93233	2.1
71.01250	32.3
72.99187	2.5
73.02825	3.4
76.80878	1.0
76.89507	0.9
78.95781	2.9
81.31218	1.1
83.01261	1.9
85.02813	5.1
87.00747	8.8
87.67715	1.1
89.02314	41.7
95.01245	2.1
96.95890	11.2
101.02316	23.4
108.57406	1.1
110.97454	1.7
113.01603	2.0
113.02333	17.5
119.03393	7.2
125.02380	1.8
125.35388	1.1
131.03394	1.8
133.01532	1.1
135.04449	1.4
143.03360	4.9
149.04440	1.7
153.53831	1.1
161.04497	9.1
179.03406	1.7
179.03745	1.9
179.05542	34.5
197.02173	5.1
197.04509	2.4
221.06619	16.6
265.99030	0.9
281.08710	1.7
317.05499	2.8
323.09885	7.9
338.04095	1.5
341.11081	6.1
377.08499	11.0
383.11942	3.1
495.11783	2.3
503.16177	100.0
504.16513	10.1
539.13831	43.7
539.22522	1.8
540.14258	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	538.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
66.03347	0.6
70.72152	0.5
70.72485	0.7
71.01241	0.8
89.02287	0.3
89.57838	0.3
96.95893	2.2
97.02843	0.4
101.02324	0.5
111.04401	3.3
113.02321	0.4
114.05494	100.0
115.05829	2.9
117.06988	0.4
163.07491	0.4
171.11714	0.5
173.13268	4.3
175.07602	0.9
199.11234	1.3
217.12299	19.3
218.12650	1.0
243.10042	0.4
261.11310	17.1
262.11716	0.7
376.17639	70.1
377.17975	7.1
418.19073	0.8
461.38834	0.4
538.14233	0.5
538.22754	4.7
539.22443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68187	0.9
71.49044	1.9
138.49289	0.9
195.65413	1.1
211.16072	1.0
375.82980	1.0
407.33234	1.5
455.35269	100.0
456.35507	16.5
537.35583	66.2
538.35852	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	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01590	1.0
61.98703	1.0
70.87764	0.6
70.88136	0.6
71.01236	2.7
72.99187	0.4
73.02810	1.7
78.95784	1.2
79.11398	0.3
83.01244	0.5
87.00762	0.8
89.02322	0.9
96.95908	1.0
101.02317	2.9
109.02798	0.4
110.71254	0.3
112.98672	0.5
113.02335	1.1
133.02876	0.7
145.02911	0.4
149.00856	0.7
161.04500	0.8
177.01851	4.6
178.02197	2.7
179.02310	1.7
223.13177	0.6
249.11078	2.5
267.12244	0.9
537.17511	0.5
537.25311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69856	0.7
51.96962	0.8
55.01758	1.1
57.03322	2.7
57.37982	0.7
58.00468	3.0
59.01247	54.3
61.98705	1.3
68.75187	0.7
69.03321	4.6
70.89640	1.5
70.90019	1.6
71.01248	47.2
72.99184	5.5
73.02812	8.8
75.00739	2.0
78.95774	1.6
81.03341	1.1
83.01247	6.0
83.04903	2.3
85.02815	14.0
87.00748	10.8
89.02309	44.7
93.03324	2.0
95.01238	4.3
96.95889	10.0
97.02826	3.9
98.12914	0.7
99.00759	6.7
99.04395	1.0
101.02314	35.5
111.00778	2.2
112.98681	2.3
113.02319	22.4
119.03397	18.1
119.04905	36.6
120.05279	1.2
121.02850	4.0
125.02310	3.8
131.03387	3.6
135.04405	2.9
137.02312	1.8
141.01642	1.1
143.03394	9.2
149.00813	4.0
149.04440	2.2
149.28963	0.7
159.02943	1.3
161.04456	13.6
163.03906	29.1
164.04292	1.1
177.01828	1.3
179.03432	2.2
179.05508	17.2
183.13835	12.9
185.00798	0.8
195.13846	12.2
198.01031	0.8
201.05486	0.9
202.06290	1.0
213.14888	100.0
214.15181	4.6
218.40720	0.7
221.06578	7.3
245.06461	5.0
249.14960	0.8
252.09122	0.7
255.16106	2.2
263.07703	3.5
283.77191	0.8
305.08701	0.9
323.09830	10.9
331.25250	0.9
333.20761	2.7
341.10818	20.9
343.15262	1.0
405.15436	2.3
443.49524	0.9
456.14349	1.4
497.87085	0.8
537.25342	9.6
537.32916	5.5
538.26111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03304	1.1
57.29704	0.3
58.00454	1.7
59.01248	26.8
67.40405	0.3
69.03321	0.8
70.29297	0.7
70.29687	0.9
71.01249	25.2
72.99176	1.3
73.02814	7.4
73.03186	0.2
75.00726	0.9
79.95609	1.9
80.21559	0.4
83.01259	6.2
85.02821	6.5
87.00748	30.0
88.01102	0.5
89.02312	27.2
95.01243	1.5
95.95109	1.6
96.95876	3.0
97.02804	1.1
99.00746	1.0
101.02314	16.1
111.00780	0.6
113.02322	18.4
115.03883	1.3
117.01836	0.7
119.02559	0.7
119.03381	9.3
119.04229	0.6
125.02305	1.1
125.05956	0.8
129.01779	1.4
131.03401	1.3
139.07541	0.6
141.01801	2.7
143.03378	4.8
149.04384	0.8
159.02913	0.9
161.04462	9.5
167.14310	1.3
179.05527	12.8
179.14308	1.3
183.13818	9.5
184.14131	0.8
191.14359	1.7
193.15901	0.5
195.13834	12.0
196.14226	0.7
197.15446	1.8
207.13789	0.8
209.15417	2.9
213.14894	100.0
214.15251	6.4
223.16908	0.9
227.16496	8.7
228.17012	0.5
237.14926	5.3
249.14943	2.4
255.15996	11.1
256.16364	0.5
267.16028	2.5
315.18155	0.8
323.09811	14.2
324.10153	0.9
341.10861	52.9
342.11118	3.1
375.20422	0.4
397.67685	0.4
413.95584	0.4
466.88342	0.4
537.12830	1.9
537.25323	3.3
537.31982	0.4
538.25916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.02970	0.6
57.03308	1.5
58.00459	1.5
59.01252	44.3
61.98694	1.4
69.03329	1.6
71.01254	41.7
71.58611	1.2
71.58982	0.7
72.99191	3.5
73.02822	9.2
74.26103	0.5
75.00741	1.0
78.95780	0.9
79.95627	0.7
81.03300	0.8
83.01258	5.0
85.02332	1.0
85.02824	11.9
87.00748	6.8
89.02316	36.0
95.01250	2.8
96.95892	7.2
97.02825	2.6
99.00770	2.3
99.04380	0.7
101.02322	30.9
109.02827	1.0
111.00765	0.8
112.98678	1.2
113.02330	16.0
119.03394	13.9
123.08013	0.7
125.02344	6.5
131.03401	5.8
141.01645	1.5
143.03406	4.3
149.00806	1.8
149.04466	1.5
159.02870	1.4
159.58662	0.6
161.04477	9.5
174.89081	0.6
179.05545	6.2
183.13818	8.3
195.13832	10.6
209.15462	0.6
213.14903	54.8
214.15234	2.8
221.06598	7.3
227.16499	0.6
245.06560	0.7
249.11143	0.7
255.16179	1.0
256.27988	0.6
263.07675	1.6
323.09802	5.6
341.10852	1.9
343.15265	0.7
357.19116	0.8
369.28033	0.7
375.20190	8.0
376.20328	0.8
405.15491	1.5
451.19266	0.7
477.23465	3.2
519.24420	0.8
521.60736	0.6
537.25531	100.0
537.32227	4.9
538.25800	11.7
538.33582	0.9
564.69061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.6
59.01247	53.5
60.01567	1.4
67.75408	1.0
71.01248	28.8
71.57460	1.5
72.99186	2.8
73.02812	2.8
74.98947	1.3
74.99654	0.9
75.00704	0.9
76.59853	1.0
79.95598	2.6
81.03274	1.0
83.01251	2.7
83.10696	0.9
85.02815	9.2
87.00745	4.4
89.02313	23.1
95.01260	1.5
95.95193	1.2
96.00790	1.6
96.95885	33.8
101.02317	17.1
103.91891	1.1
107.01245	1.1
107.04875	1.2
109.02824	1.1
113.02317	14.8
113.03458	3.8
119.03402	8.9
131.03384	1.6
133.02858	1.5
134.03621	1.2
135.04413	1.9
140.96269	1.3
149.04424	1.1
151.00325	2.5
156.39958	1.1
159.15080	1.0
161.04451	3.1
171.04372	1.4
183.04346	1.4
190.33775	1.0
191.05484	1.4
195.13867	9.8
196.08792	1.0
199.03856	1.1
213.14885	4.8
215.03401	1.1
220.34520	1.0
227.03360	1.7
234.04814	1.1
236.61667	1.2
255.02997	15.2
256.03723	5.4
257.04395	4.9
271.02444	2.2
274.98883	1.0
283.02448	14.7
284.03235	42.4
285.03970	21.5
286.04453	1.6
300.02783	5.7
357.19147	4.9
357.91876	1.1
375.20209	100.0
376.20465	9.7
433.27945	4.0
451.28842	1.4
456.14566	2.8
456.64847	1.7
463.10342	2.4
537.13989	45.7
537.22076	2.5
538.14343	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	537.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
67.80302	0.2
68.16997	0.2
69.56275	0.2
69.56600	1.3
70.19473	0.2
71.01238	0.2
78.95763	0.3
87.00757	0.2
89.03773	0.2
90.04283	0.2
91.05372	0.3
96.95875	0.3
98.19792	0.4
101.02325	0.2
107.04903	1.0
117.03365	0.4
134.03632	3.2
134.04623	0.3
135.04410	92.1
136.04749	3.2
141.30429	0.2
147.10014	0.2
152.99466	0.3
163.45734	0.2
177.01866	0.3
179.03412	100.0
180.03734	3.9
259.54843	0.2
260.10352	0.2
370.14923	0.2
438.30246	0.2
477.24655	0.3
537.23413	1.7
538.24139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Cucurbitoside D
Peak:m/z	Relative Intensity
59.01250	4.3
61.98695	0.2
65.03824	0.4
69.03312	0.2
69.48659	1.1
71.01249	1.4
72.99147	0.2
73.02800	0.4
74.02341	0.2
75.00738	0.2
78.95761	0.1
80.55401	0.1
80.96390	0.1
83.01243	0.3
85.02811	0.6
87.00749	1.8
87.85722	0.1
89.02316	0.9
93.03333	40.1
94.03663	1.0
96.95885	2.7
97.02801	0.3
98.19821	0.3
99.00803	0.2
99.04391	0.2
101.02314	0.6
112.98658	0.2
113.02322	0.6
119.03419	0.2
119.04913	0.1
125.02316	0.2
128.03401	0.5
131.12309	0.2
135.04427	0.8
137.02338	100.0
138.02676	3.6
143.04472	0.7
149.00803	0.6
155.90524	0.1
161.04448	0.3
179.03319	0.7
183.80496	0.1
201.05470	0.2
203.07228	0.2
205.08456	0.1
213.14851	0.2
233.08282	0.2
247.09846	0.1
254.07838	0.3
272.08807	0.3
306.07626	1.0
333.20636	0.3
361.16565	0.2
431.12036	0.2
537.15808	0.3
538.22443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94356	0.5
59.01249	8.0
69.91135	2.2
71.01254	3.5
72.99169	0.8
73.02816	1.3
74.02347	0.7
79.02799	0.5
79.95609	100.0
80.96373	0.9
85.02824	2.1
87.00710	1.2
89.02312	3.2
95.95109	41.6
96.16012	0.6
96.95892	55.6
99.00777	0.6
101.02328	2.8
102.26260	0.5
113.02334	1.4
119.03419	1.4
121.06489	1.0
133.06535	0.7
139.28477	0.5
151.03871	0.6
151.07584	0.6
159.02785	0.5
161.04501	1.4
191.05574	0.8
199.50351	0.6
241.00060	1.0
263.15018	0.6
263.32092	0.5
327.18268	0.6
331.15601	0.5
357.06512	0.6
359.07980	0.9
433.24524	2.4
437.07980	0.7
452.93289	0.5
477.10870	2.5
492.13419	2.3
505.10181	2.8
519.11810	4.2
520.12518	5.7
521.12897	0.8
537.12885	16.1
537.21112	1.0
538.13062	2.4
541.57404	0.5
552.11761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03312	1.4
58.00473	0.9
59.01252	20.6
65.54038	0.4
69.03325	0.8
71.01252	17.3
72.99181	2.4
73.02829	3.1
75.00754	4.5
78.95771	1.0
79.73967	0.5
79.95605	61.7
80.96387	1.9
83.01257	2.3
83.04905	0.6
85.02820	6.3
87.00751	9.3
87.04398	2.1
89.02314	13.8
95.01273	1.2
95.94191	0.6
95.95103	43.6
96.95886	100.0
97.02811	0.9
99.00768	1.5
101.02321	10.5
101.05949	0.5
103.00243	1.3
107.04900	0.7
113.01595	0.9
113.02325	9.2
119.03396	4.5
119.04907	1.5
119.08483	0.5
121.06491	2.0
123.04391	0.5
125.02326	0.6
127.41145	0.4
129.01851	0.7
131.03494	0.9
135.04463	0.7
135.08057	0.8
138.96964	0.5
141.01787	1.2
143.03391	1.5
144.80109	0.4
147.08089	0.7
149.00807	1.7
149.05891	0.5
149.09666	0.5
159.02884	0.8
161.04471	2.8
163.02507	0.5
163.03897	0.8
163.07545	1.2
171.08171	0.6
173.09578	0.6
179.03413	0.6
179.05487	2.7
183.13802	2.1
187.11079	0.5
189.09158	0.7
191.10736	1.0
195.13846	3.2
201.09132	0.8
207.14011	0.5
209.15363	0.9
213.14897	20.9
215.10690	0.6
217.08560	0.6
227.16507	1.4
229.66478	0.6
231.10173	1.3
233.11716	0.7
235.13353	0.6
237.14835	1.0
241.00278	2.4
245.08133	0.6
255.16029	2.2
262.04172	0.5
265.05624	3.3
267.16269	0.6
281.08691	0.6
292.62799	0.5
313.07455	1.1
320.39670	0.6
323.02332	0.5
323.09811	3.3
341.10840	10.1
343.08438	3.6
357.06467	1.3
359.08218	0.8
371.07913	0.6
405.15445	1.0
427.14539	3.5
458.27359	0.5
477.10663	6.8
489.11008	1.6
491.12280	2.1
503.12488	2.4
504.13123	5.9
505.09897	5.6
519.11749	4.8
520.12482	7.9
537.12830	50.0
537.33398	1.6
538.12891	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	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46284	0.1
59.01249	0.8
61.98703	0.2
69.33970	0.9
77.03858	0.1
80.81280	0.1
81.03327	0.5
87.00752	0.9
89.03838	2.3
93.03327	0.1
95.04883	0.1
99.00681	0.1
99.28134	0.1
105.03342	3.7
106.03696	0.2
112.98683	0.2
121.02853	0.2
133.02850	8.5
134.03201	0.4
135.04410	0.1
148.01347	0.1
149.00835	0.2
149.02345	1.0
173.05992	0.1
176.01135	0.2
177.01846	100.0
178.02182	4.9
186.06755	0.1
200.04665	0.1
211.07570	0.2
214.06317	0.3
215.07024	0.3
229.08675	0.3
357.20212	0.1
371.14981	0.4
390.73056	0.1
483.93646	0.1
500.39673	0.1
535.21423	0.2
535.32440	0.2
540.24951	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	3.7
59.01249	100.0
71.01248	29.0
71.57393	2.5
71.57799	5.2
72.99165	4.6
73.02818	15.7
78.95773	4.8
79.54041	2.6
79.95583	3.0
83.01225	3.4
85.02830	14.5
87.00760	17.0
89.02313	27.1
93.03348	3.0
96.95889	21.2
99.00708	3.0
99.04411	4.1
101.02327	32.9
103.03889	14.7
112.98629	3.4
113.02303	10.3
119.03407	18.4
122.98994	3.0
125.02315	4.1
127.03888	2.9
131.03371	4.4
135.04364	7.6
143.03358	12.1
145.04935	5.0
163.06023	65.2
167.10709	21.3
177.05569	3.5
179.03371	4.5
191.05347	4.1
191.10686	8.9
193.04909	3.7
203.07007	4.1
205.07109	12.4
214.06303	3.3
221.18352	3.3
247.08203	40.9
307.10330	6.8
347.05115	2.9
371.14902	5.7
400.72363	3.1
475.29559	3.2
493.29996	5.7
535.31769	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	535.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
58.03001	1.0
59.01248	100.0
60.01581	1.1
66.57332	0.9
69.49194	1.0
71.01263	1.7
71.44808	1.3
71.45145	2.0
73.02824	4.1
75.84750	1.0
77.13464	1.1
83.01272	2.3
99.04383	2.2
101.02325	2.2
103.26192	1.0
108.94240	1.0
157.65749	1.0
165.12747	1.3
193.32619	1.1
207.13849	3.9
209.10039	1.1
209.11688	5.8
225.14973	7.9
227.12830	45.2
227.15059	2.4
228.13145	2.8
251.12872	2.9
269.13962	12.0
270.21213	1.0
287.14981	98.5
288.15314	8.2
329.16052	1.8
401.78427	1.1
429.57840	1.1
491.21381	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51583	0.5
57.03327	1.3
59.01249	89.0
59.22613	0.5
60.01583	0.7
69.03334	0.8
70.53334	1.5
71.01254	6.8
72.99197	1.7
73.02809	6.5
79.95602	3.0
81.03318	1.0
83.01245	4.0
85.02782	1.4
87.00751	2.5
89.02325	2.2
93.03346	0.7
93.37265	0.7
96.95886	6.3
97.06489	1.0
99.00777	0.6
99.04406	1.1
101.02331	5.8
109.06505	1.4
113.02344	1.2
119.03369	0.8
125.02370	1.3
126.80582	0.6
135.98289	1.3
140.51154	0.6
146.22340	0.8
149.04379	0.8
157.39015	0.7
161.04364	1.0
165.12747	0.8
177.69234	0.7
179.71695	0.6
189.12764	0.8
207.13812	8.0
209.11732	5.9
209.13234	0.6
225.14908	11.7
226.03894	0.9
226.15242	0.7
227.12825	41.0
228.13220	2.3
241.42987	0.6
242.44730	0.7
251.12790	3.7
254.03293	0.8
269.05609	1.8
269.13934	14.1
270.14331	1.3
278.25992	0.8
287.14990	100.0
288.15323	8.5
293.14066	3.1
297.08984	0.9
301.08145	1.0
311.15372	3.8
323.06738	0.9
329.16040	9.4
343.11819	0.7
355.09430	2.1
358.43320	0.6
371.15530	0.8
415.23593	1.3
431.19354	0.9
491.20969	1.8
535.22931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51348	2.1
55.16241	2.0
59.01250	35.8
71.01257	9.3
71.19282	4.4
71.19617	3.9
73.02808	4.8
75.00767	2.8
85.02805	3.5
87.00755	7.7
93.03344	6.3
96.95904	17.0
101.02322	6.8
106.61149	2.4
107.04916	5.7
108.02041	17.3
109.02804	3.8
112.98737	2.7
113.02313	7.2
121.02831	12.8
123.04418	12.0
125.02367	5.2
133.02971	2.7
134.03627	7.3
135.04422	8.5
137.02347	3.3
145.02849	9.9
146.03662	7.2
147.04437	6.0
148.05191	7.8
149.02347	4.1
149.06038	6.8
150.03064	3.8
151.03877	13.3
158.03642	8.1
159.04433	9.1
160.05208	30.0
161.02315	3.3
161.05975	10.3
162.03140	4.0
163.03952	3.7
165.05450	5.0
169.09486	2.8
171.10222	2.6
174.03125	5.2
175.03946	7.8
175.07544	5.8
176.04665	12.3
177.05476	15.4
178.02710	4.5
178.06268	25.9
179.03493	3.0
180.04196	3.1
187.03937	9.0
188.04723	12.8
190.06213	3.9
191.05515	5.3
191.07080	28.8
193.04961	7.8
196.05249	3.5
203.07077	39.4
204.07497	3.3
206.05792	17.8
208.03725	3.3
209.06039	3.2
210.05333	8.9
214.06241	3.8
221.08147	69.5
221.78560	2.6
222.08513	3.9
223.07411	2.8
224.04681	3.2
224.06834	3.4
225.05412	3.4
237.05510	6.4
238.06267	4.9
240.04301	3.4
241.05002	3.4
249.05670	5.3
250.06218	4.8
251.03448	7.0
251.07019	4.1
252.04126	2.8
253.04929	5.7
261.05621	7.2
262.06281	3.7
263.07065	6.1
264.04227	6.7
265.05051	11.1
265.08670	5.4
266.05927	3.5
266.09198	2.9
267.06595	4.3
275.07288	3.9
276.04358	3.4
277.04953	12.3
277.08273	4.3
278.05743	8.1
279.06561	6.4
280.07425	9.3
281.08133	4.5
283.09976	4.1
285.03729	3.8
287.07184	3.3
287.22226	3.3
289.05139	8.7
290.05716	6.8
291.06451	3.3
292.07382	6.4
293.08212	9.4
294.08926	8.1
295.06223	4.7
295.09787	6.0
303.06833	3.8
304.07495	4.9
305.08118	10.3
306.08734	3.4
307.09695	3.3
308.06879	4.9
309.07861	3.4
310.08542	3.2
311.09311	7.0
313.23929	5.6
321.07556	4.1
322.08270	15.5
323.09137	45.6
324.09610	7.8
325.10919	3.2
331.24817	5.5
335.09229	3.9
337.10834	30.8
338.11533	15.4
351.09058	4.7
366.10999	14.6
369.13287	2.9
370.10056	2.7
371.14896	5.8
379.09796	6.1
381.13474	62.3
382.13599	6.5
384.10114	3.4
385.10837	4.2
391.09476	3.1
395.09189	8.7
396.10178	6.6
397.10812	4.9
403.04913	3.7
407.09091	3.3
408.09897	7.4
409.10818	6.0
411.12506	6.5
412.09424	7.7
413.09875	3.7
414.10602	4.8
415.11890	6.9
423.12759	5.1
424.09039	12.7
425.10034	4.5
426.11044	4.6
427.11832	38.7
428.12378	6.1
429.13919	5.8
430.14117	11.0
436.09625	3.1
439.11801	33.5
440.12250	7.8
441.13388	8.3
442.14560	23.8
443.14801	2.9
445.16867	29.1
446.17157	3.3
451.11816	8.3
454.14078	10.4
456.16077	4.7
457.17078	93.5
458.17664	12.2
459.17999	5.2
466.14459	3.9
467.14926	4.2
469.16998	78.3
470.17245	12.3
471.18140	12.6
472.15372	10.8
473.15741	4.8
475.17603	26.9
475.28970	6.3
476.17941	5.8
481.16418	15.5
484.15155	18.7
485.16159	3.1
487.17676	94.5
488.18079	14.0
491.28705	10.1
493.29984	7.5
499.17642	85.2
500.17969	13.4
505.18842	21.0
517.18726	100.0
518.19342	16.6
535.32129	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	535.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65422	1.1
59.01250	19.4
66.17451	1.1
66.47104	0.9
71.01262	3.9
75.00738	1.2
77.73195	1.1
78.95755	1.4
85.02833	2.1
87.00760	4.6
89.02321	1.2
93.03332	1.8
96.95901	4.1
101.02345	1.6
105.97874	1.1
108.02056	15.6
109.02869	5.6
112.02323	1.0
119.04943	1.7
121.02840	6.4
123.00822	1.2
123.04412	10.7
133.02872	2.1
134.03661	2.2
135.04443	5.9
136.01564	71.4
137.02396	9.3
138.03072	1.8
145.02869	2.2
146.03627	1.8
147.04443	1.8
148.05133	1.5
149.02348	3.8
149.05978	1.2
150.03145	7.9
151.03917	63.4
152.04280	2.3
159.04413	3.1
160.05231	4.0
161.02373	1.3
161.05991	4.6
162.03123	4.5
163.03917	4.6
164.04738	1.9
165.05449	2.8
171.04439	1.2
172.05190	3.2
173.06003	4.4
174.03116	1.5
175.03906	6.1
175.07568	1.5
176.04701	4.0
177.05591	6.9
178.02644	1.8
179.03453	2.1
182.02101	1.9
187.03914	2.0
187.07585	1.7
188.04674	1.5
189.05550	6.7
190.06317	7.3
191.07106	4.2
193.04979	5.7
193.60730	1.3
199.03976	1.4
200.04561	1.5
201.05466	2.1
205.05051	1.3
205.08685	1.8
215.07263	1.2
224.04733	1.3
225.05499	2.3
230.09671	1.0
230.11960	1.1
237.05498	2.4
241.05084	2.3
251.07027	1.4
253.04895	5.3
253.08714	1.5
254.05742	1.4
256.07410	1.1
265.05084	2.9
265.08524	1.4
266.05728	3.0
267.06564	2.5
268.07248	1.7
269.04620	7.0
275.07089	1.7
276.07892	1.7
277.05411	1.2
279.06503	3.3
280.07306	4.9
281.04562	17.7
281.08160	6.0
282.05118	1.3
284.03961	1.0
284.06821	6.7
285.03986	1.2
291.06747	2.2
293.08249	3.4
295.06058	3.1
295.09659	3.3
296.06900	16.9
296.10498	3.5
297.07346	3.0
298.08441	1.4
299.09161	8.1
305.08228	1.9
307.06042	2.2
307.09537	1.3
309.07455	1.6
311.09308	14.4
311.12769	2.1
312.09833	1.3
321.07718	4.6
323.09192	2.9
324.10175	5.2
325.10745	1.9
336.10089	4.9
338.11823	2.2
339.12341	6.5
340.12643	1.6
351.12436	2.6
355.11755	3.4
356.12604	3.3
369.13367	1.5
371.15140	2.0
384.11856	1.5
399.14548	15.6
400.15002	2.4
411.14224	1.7
412.09613	1.2
415.11429	1.7
427.11990	3.6
430.14169	1.8
439.11856	2.4
442.14069	2.6
445.16833	2.1
457.12219	2.3
457.17621	1.3
459.14386	2.2
460.15146	2.1
469.16898	2.0
471.14548	1.8
472.15015	3.3
475.18024	22.4
476.17981	3.2
487.17447	18.7
488.18182	1.4
490.16470	2.4
499.17963	2.1
502.16364	12.2
503.16739	1.4
505.18692	55.0
506.18915	9.0
517.18646	100.0
518.19128	15.4
535.32306	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	534.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20511	0.6
59.01247	1.9
78.95781	28.9
82.48550	0.7
120.85792	0.6
122.00043	1.2
129.96402	0.6
134.31371	0.7
140.01091	5.8
152.99525	3.9
167.01131	0.9
196.03748	11.3
196.89517	3.5
197.89470	1.6
200.88042	0.8
214.04829	2.2
255.23289	100.0
256.11035	0.9
256.23630	9.4
297.64111	1.0
452.27829	50.9
453.28082	5.1
482.31717	1.3
528.96350	0.7
534.27301	2.4
535.13232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96732	1.1
52.90239	1.0
59.00986	1.6
59.01252	19.8
71.00954	1.3
71.01260	15.5
71.34825	2.1
73.02812	3.2
79.95598	3.9
80.96384	2.5
85.02820	5.0
87.00755	1.3
89.02328	11.4
96.95892	100.0
101.02320	10.4
103.00242	2.0
113.02330	3.8
113.70140	1.2
119.03380	2.8
121.06484	4.2
135.08043	3.3
139.00294	1.1
147.08026	4.0
161.04427	2.0
161.09619	4.9
163.07614	2.7
171.08061	4.0
173.05983	1.7
189.09177	2.1
198.06779	1.6
213.09157	7.7
227.16104	1.2
231.10161	2.6
241.00160	8.3
265.05597	4.4
298.86932	1.1
355.04846	5.1
535.11237	90.0
536.11603	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	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46433	0.4
57.47196	0.4
58.02855	5.2
59.01247	3.5
70.02853	0.8
70.40594	0.9
71.01250	1.8
72.00769	0.9
74.02341	11.5
82.02854	1.3
86.02348	4.3
86.05978	0.7
86.98992	0.9
87.05489	2.1
89.02318	1.5
90.00053	1.0
96.95870	1.0
97.03924	0.9
99.04921	0.8
99.05518	10.1
101.02321	1.3
101.07085	1.5
102.05490	1.6
107.06029	0.7
109.03951	1.2
109.07582	0.4
111.05525	0.6
112.03925	1.4
113.02304	0.7
116.01608	0.8
119.03357	0.6
123.05522	1.2
124.03929	0.7
125.03436	1.0
126.01904	0.5
127.05016	2.2
128.03426	28.5
129.03740	0.8
129.99487	0.4
131.04526	0.6
132.04482	2.1
134.06015	1.2
135.05550	2.6
136.01541	0.5
137.07060	0.9
139.13983	0.4
141.06639	2.1
143.04524	40.8
144.04825	0.9
145.06018	2.0
146.04512	3.4
151.03911	2.1
153.06589	3.6
155.08253	0.6
159.99445	0.6
160.00661	10.7
161.04385	0.5
166.09776	1.5
167.04503	3.1
167.08183	2.1
170.03162	0.6
171.04097	0.8
176.04706	0.6
177.03291	4.4
179.04535	8.4
180.05121	0.4
181.06058	0.7
184.10786	0.5
185.05540	1.4
192.07660	1.1
197.05635	1.4
209.11731	1.7
210.08788	7.6
228.09579	0.5
230.61194	0.5
242.07803	1.1
254.07802	9.9
272.08875	20.0
273.09204	0.9
279.11356	1.3
288.06595	7.0
288.09485	0.8
297.11203	0.7
306.07648	100.0
307.07938	6.7
313.37656	0.5
327.12268	0.7
341.39081	0.5
373.13269	0.5
459.17899	0.9
503.16626	7.0
517.18115	0.7
534.21051	3.0
535.19653	0.6
555.05261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41115	0.5
59.01250	100.0
59.21027	0.4
60.01589	1.1
61.98710	0.8
71.56979	0.4
73.76713	0.4
78.95795	1.0
93.92775	0.5
96.95895	1.0
98.31857	0.5
100.70608	0.5
121.02875	0.7
166.91000	0.7
174.99211	1.7
181.94102	0.5
217.00214	5.4
218.00578	0.5
220.14671	1.0
239.94745	0.5
334.07346	5.9
352.91846	0.5
365.26706	0.5
374.99359	2.2
391.14673	2.1
392.15186	0.6
464.92020	0.5
500.20456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20592	0.7
57.21089	0.7
59.01250	7.9
69.48076	2.3
69.48496	3.1
75.25381	0.7
78.95773	23.0
85.06453	0.8
92.68710	0.6
95.04903	0.8
96.96829	1.3
109.92677	0.8
110.98406	4.8
121.10110	1.6
147.56757	0.7
152.99498	5.1
165.12723	0.8
167.01042	2.1
171.00548	3.9
174.99229	1.2
181.12253	1.2
185.02092	4.4
199.13338	11.4
201.48219	0.6
217.00247	5.2
251.20085	0.8
253.09055	0.9
261.18506	0.8
269.07062	1.6
279.19641	10.5
297.24219	1.5
300.83331	0.8
324.67111	0.7
347.25827	6.2
354.09875	1.4
365.26953	100.0
366.27313	11.9
391.17996	17.2
392.18323	2.0
402.24506	1.1
412.97897	0.7
476.27847	12.2
489.10428	0.9
533.20313	1.5
533.28735	17.0
534.29608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85228	1.6
58.00457	1.9
59.01249	14.7
61.57698	1.8
66.03360	3.5
71.01249	6.3
71.47585	1.6
72.39868	1.9
73.02820	3.6
75.00757	8.0
83.04892	12.9
85.02841	2.7
89.02329	3.1
95.04913	3.1
96.95905	2.4
101.02323	2.2
105.06996	3.7
107.04897	13.1
109.02814	2.1
109.06458	3.1
110.02359	5.9
111.04395	4.4
113.02318	2.9
119.03414	3.0
119.08521	2.1
121.06467	1.7
122.07789	1.6
133.97569	2.1
135.07993	1.9
139.03957	2.2
141.05492	1.9
145.10175	2.0
147.11726	3.0
152.49745	1.8
157.10118	2.7
165.05482	6.6
165.41351	1.6
173.09679	4.4
175.11197	11.4
177.12880	1.8
187.11227	3.4
191.10732	11.8
201.13568	1.9
219.10167	21.0
237.11279	3.1
245.08020	2.5
249.11316	4.9
263.09225	50.5
264.09644	3.8
278.90723	1.8
285.13947	1.9
285.17062	5.2
295.11868	4.4
305.10352	12.4
311.11301	100.0
312.11765	11.2
329.14795	2.9
353.12201	2.3
359.71075	1.7
371.15900	3.1
379.78699	2.1
533.29492	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	533.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02709	0.7
59.01250	17.7
71.01247	10.5
71.57913	1.0
71.58300	0.8
75.73888	0.7
85.02827	1.9
85.43661	0.7
86.45618	0.8
87.00756	1.2
89.02315	12.9
95.01241	0.8
96.95883	17.8
98.43954	0.8
98.95494	1.7
101.02313	3.9
113.02325	4.0
119.03410	4.6
131.65382	0.7
133.02826	0.8
136.01535	1.4
139.91678	0.8
145.02827	1.8
147.04419	0.8
150.03166	1.1
151.03903	2.2
160.05247	1.3
161.04424	1.5
175.03938	1.5
179.03424	0.9
179.05515	2.2
191.05492	1.0
195.06554	1.0
195.08162	1.1
202.05597	0.8
206.07321	1.3
207.08116	3.5
209.05997	1.1
223.07617	6.0
233.06180	1.7
234.06775	1.9
235.07555	5.8
239.07095	1.1
247.07617	1.0
251.07085	23.9
252.07538	2.4
261.05679	2.5
262.06320	4.2
263.07166	11.4
264.07852	5.3
265.08279	1.0
267.06570	3.8
277.08749	1.8
278.05780	1.4
278.09393	1.5
279.06595	30.3
280.06973	3.0
281.08130	1.6
282.08951	3.3
283.09216	0.8
285.03873	1.7
285.13297	1.2
293.08197	2.7
294.08920	9.2
295.06122	14.9
295.09219	0.9
296.06299	1.3
297.11282	1.5
307.06085	6.3
308.06625	2.0
309.07751	1.8
310.08456	5.0
321.07755	2.3
322.08423	11.9
323.05609	31.0
323.09076	2.4
324.05869	2.9
324.09506	0.9
327.12387	3.4
337.06738	2.0
338.07913	23.5
339.08438	2.6
353.10284	100.0
354.10638	11.5
371.11185	5.3
372.11823	1.0
473.18082	2.5
489.10251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.9
59.01252	18.1
59.12523	0.9
60.01595	0.9
71.01252	10.0
71.58571	1.3
71.58934	0.9
73.02829	0.8
85.02835	2.5
87.00771	1.2
89.02317	13.7
93.03341	0.8
96.95895	18.7
98.95496	1.6
101.02334	5.8
109.02899	1.0
113.02339	4.1
119.03392	4.7
121.02795	0.8
134.03635	0.8
136.01524	1.0
143.03413	1.0
145.02846	2.3
149.04445	1.0
150.03000	1.0
151.03867	2.1
161.04512	1.2
165.05533	1.2
175.03931	1.4
179.05563	1.0
191.05560	1.6
193.05040	1.3
195.06544	1.0
195.08078	1.1
201.35442	0.8
207.08076	4.2
209.06116	1.8
220.46873	0.9
223.07561	3.2
233.06096	2.0
234.06821	2.5
235.07698	7.5
249.05542	0.9
250.06313	1.7
251.07098	24.0
251.09558	1.8
252.07579	1.9
262.06390	4.4
263.07092	13.0
264.07791	5.8
265.08679	1.3
267.06598	2.4
277.08353	1.0
278.05844	1.0
278.09393	2.4
279.06622	30.9
280.06891	2.8
281.08182	1.7
282.09012	3.7
285.04144	1.3
285.13483	1.3
293.08218	3.0
294.08957	10.1
295.06125	14.3
295.09247	1.4
296.06458	1.0
296.10980	0.9
297.11111	1.5
307.06140	6.5
308.06888	2.2
309.07654	1.8
309.11090	1.3
310.08374	5.6
321.07858	2.1
322.08426	11.0
323.05606	35.4
323.09067	3.5
324.06046	3.1
327.12451	3.6
337.07138	2.1
338.07950	25.2
339.08405	1.9
353.10294	100.0
354.10583	10.3
371.11404	6.2
462.88245	0.9
473.17950	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	533.0935
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01247	15.6
63.02260	1.0
64.14990	0.7
65.00195	1.2
68.65826	0.7
69.29496	0.9
69.29834	7.3
71.01247	5.7
72.99186	0.7
73.02811	1.9
83.01249	1.5
85.02829	2.3
87.00760	0.9
89.02314	3.9
93.03382	0.8
96.95874	8.9
97.02794	0.7
99.00734	1.5
101.02315	3.0
107.01239	2.3
109.02802	1.2
113.02306	2.2
119.03394	1.2
120.99519	3.4
125.02304	1.3
133.02829	4.2
134.03619	0.9
149.02341	1.2
149.04518	1.0
151.00307	4.8
161.04425	1.3
171.10210	0.7
174.01820	0.9
174.03186	0.8
175.03992	1.6
183.04387	1.1
187.04013	0.9
199.03928	2.2
200.04706	0.9
201.01852	0.8
211.04056	0.7
215.03268	0.8
217.04988	1.6
220.08813	0.8
227.03513	1.8
255.03053	0.9
256.03644	4.0
284.03250	70.2
285.04007	100.0
286.04364	8.5
297.03912	1.1
327.05173	1.4
355.04810	0.8
401.21875	1.3
447.09561	1.3
489.10352	96.5
490.10706	11.8
533.28577	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	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	1.1
70.15549	1.8
90.15150	0.4
95.17503	0.4
102.01225	0.4
104.99895	0.4
123.28725	0.4
140.30356	0.4
266.81122	0.4
278.17999	0.4
279.23361	0.9
369.68292	0.4
395.58603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
58.02851	15.9
59.01247	24.9
66.03352	2.3
70.98482	2.2
70.98838	1.5
71.01250	12.5
72.00777	2.1
72.99184	1.9
73.02806	2.7
74.02341	35.2
75.00725	1.6
81.04450	2.9
82.02848	4.6
83.01244	2.9
84.04408	2.3
85.02808	3.8
86.02345	12.8
86.05986	3.5
87.00733	3.3
87.05521	5.8
88.03893	1.5
89.02311	5.8
92.27406	1.1
96.95885	11.0
97.03954	3.3
99.00743	1.3
99.05517	25.4
100.00259	2.4
101.02347	7.8
101.07062	5.9
102.05487	5.4
107.04913	1.5
107.06021	1.7
109.03964	7.3
109.07606	1.9
111.05511	2.5
112.03899	2.6
113.02312	4.8
113.03481	1.5
116.01640	1.1
119.03344	2.0
119.04885	3.9
121.97148	1.1
123.05513	3.8
124.03921	2.1
125.02420	1.5
125.03431	5.9
126.04270	1.4
127.05050	6.2
128.03426	75.4
129.03770	2.8
130.45897	1.1
130.46867	1.2
135.05531	11.6
137.07089	2.7
141.06540	5.7
143.04523	100.0
144.04858	1.2
145.06084	4.6
146.04494	14.4
149.00716	1.9
149.07040	2.5
153.06586	7.2
161.04424	3.1
163.03915	2.2
166.09758	5.2
167.04546	4.5
167.08162	7.0
169.06129	1.0
170.03195	3.6
171.04016	2.0
179.04541	30.9
181.06122	3.5
184.10773	1.8
185.05641	1.8
192.07687	3.0
195.13792	1.4
197.05681	4.9
203.05109	1.0
207.13727	2.5
210.08763	20.5
225.14871	9.4
254.07793	50.6
255.08153	2.3
259.13699	5.6
271.04617	1.2
272.08875	70.7
273.09198	4.2
297.04166	1.7
346.17172	1.2
403.19080	11.6
473.18259	2.2
473.27414	1.9
491.18997	3.7
514.22253	14.5
515.22705	1.2
532.23267	90.6
533.23462	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	531.3189
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03324	3.5
59.01252	18.5
61.98703	11.1
71.01254	24.1
72.99186	6.2
73.02848	1.5
75.00745	21.6
78.95767	7.1
84.46834	1.0
85.02823	29.7
87.00748	10.4
89.02337	5.4
89.47218	1.1
95.01266	5.6
99.00771	10.7
103.00237	2.6
110.98418	3.6
113.02329	34.8
115.00248	2.7
117.01842	2.3
117.58147	1.1
121.02805	1.2
129.01849	3.0
147.74500	1.2
157.01297	1.7
167.01039	3.7
170.94687	1.1
175.02432	4.4
191.05486	1.5
205.07085	2.6
223.08167	1.5
227.84546	1.1
249.06151	6.5
267.07205	8.3
275.50177	1.1
279.23306	13.8
280.23682	3.4
281.24863	79.8
282.25211	7.7
447.25122	6.3
448.25668	1.5
449.25443	7.0
513.30579	2.9
531.31732	100.0
532.23456	3.2
532.31946	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	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03313	1.6
58.00453	1.1
59.01247	38.3
60.01569	0.4
67.01752	0.4
69.03323	1.8
69.29124	0.9
69.29525	3.4
71.01248	34.3
72.01588	0.4
72.99162	1.9
73.02814	25.3
75.00761	0.8
76.94109	0.3
78.06741	0.4
81.03316	0.5
83.01253	7.5
83.04856	0.4
84.02026	0.4
85.02818	8.3
87.00749	2.3
89.02308	8.6
93.03338	0.3
95.01240	1.5
96.95866	2.6
97.02818	1.6
98.19763	0.6
99.00748	3.0
101.02316	21.9
102.02655	0.6
110.26654	0.4
113.02322	8.3
113.66460	0.3
115.03897	0.4
119.03400	1.7
119.04924	0.5
125.02338	1.9
125.09620	0.5
127.94756	0.3
131.03424	1.8
137.02234	0.4
137.09555	0.6
140.37903	0.4
143.03374	1.0
149.04463	1.5
159.02902	0.8
161.04440	5.5
163.11147	1.0
165.12747	2.6
171.10152	1.3
179.05470	0.5
179.14302	0.7
183.13884	0.5
191.05569	2.1
209.11797	1.1
211.13306	2.1
227.12823	0.8
229.14429	0.9
229.89861	0.4
233.06532	0.6
247.20616	2.0
273.18591	1.0
284.03235	0.8
285.03876	0.8
291.19632	15.2
292.19998	1.2
293.08731	0.5
299.05591	0.6
306.28387	0.4
309.20673	9.5
310.21048	0.7
327.21710	3.9
333.20633	0.5
399.23779	3.5
400.24490	0.4
450.14020	0.4
471.25839	4.8
472.26205	0.6
489.26822	6.2
490.27359	0.7
502.59219	0.4
531.28113	100.0
532.28369	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	531.154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	2.7
59.01244	25.9
60.97383	4.6
60.99158	7.2
63.96103	16.4
70.45366	7.2
70.90158	1.7
71.01247	14.3
72.99204	3.1
73.02818	3.3
76.96498	2.1
76.96885	11.6
79.05389	4.1
79.95604	14.5
83.01300	2.0
83.04892	4.4
85.02814	11.3
87.00717	3.8
89.02303	8.1
93.03338	6.6
93.06950	3.1
96.95889	6.4
97.02820	2.9
99.00748	2.1
99.13591	1.7
101.02310	16.0
106.97953	11.0
109.02832	10.6
111.04390	13.5
113.02299	6.4
119.03385	20.7
120.23994	1.8
123.08028	1.7
125.05988	2.7
135.04361	4.0
137.02325	2.1
137.05980	1.9
139.03891	3.1
145.02788	2.3
147.04405	3.1
156.79547	1.6
157.02802	2.3
157.10085	1.8
159.04427	5.6
161.04469	1.8
163.07536	4.9
165.09081	2.5
173.13274	15.1
175.03937	3.8
175.07619	2.3
175.11163	2.0
179.03465	2.9
185.02333	3.0
189.09059	1.7
191.05540	44.6
199.11197	6.6
203.14388	4.0
205.04941	2.1
211.07544	1.6
213.12834	3.1
217.12294	51.2
218.12511	3.6
221.05952	1.8
227.41228	1.7
229.01344	20.1
230.01611	2.2
231.13878	15.5
239.06953	2.6
241.12328	7.9
246.62947	1.7
246.65396	1.6
247.13292	2.1
249.05556	4.5
250.06258	2.6
251.07307	1.9
253.00127	1.5
257.11807	2.3
259.13382	15.7
260.05597	1.7
261.11288	100.0
262.11673	8.4
265.04907	2.0
267.06714	15.4
275.12915	12.8
277.05014	10.2
278.05811	3.1
293.04608	2.5
295.06094	20.0
303.12384	26.9
304.12579	4.0
325.11124	97.5
326.11407	8.8
339.05045	78.2
339.12619	14.5
340.05341	8.4
367.12213	23.7
368.12726	2.8
369.10156	2.8
393.86771	1.7
531.11499	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	531.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83625	0.2
57.03321	0.5
59.01244	2.7
60.99161	0.9
67.01764	3.1
69.03319	1.2
71.01240	2.4
71.07327	0.7
72.89324	0.3
73.02814	1.1
81.03314	0.8
83.04890	1.0
85.02817	8.5
87.00748	5.8
89.02315	0.5
93.03330	18.8
93.28504	0.3
94.03671	0.5
95.01263	0.5
95.04896	0.3
96.95889	3.7
99.00719	0.6
99.04353	0.8
101.02324	0.5
105.03337	0.8
107.04916	0.3
107.28666	0.2
109.02845	1.4
111.04390	2.8
113.02315	0.6
121.02772	0.3
123.04414	0.4
125.02328	0.4
127.03892	2.1
129.01836	0.3
132.02060	2.5
133.02847	10.0
134.03664	1.8
135.04419	4.1
137.02318	0.7
141.79974	0.3
144.04416	0.3
145.02887	0.4
146.03552	0.3
146.05983	0.7
155.03398	0.6
160.01569	8.3
161.02345	11.9
162.02849	0.3
165.05511	0.5
171.02940	0.4
173.04472	6.6
173.05984	0.4
174.03137	0.5
175.03880	0.5
177.00424	0.4
177.01846	3.4
178.02618	0.7
179.03413	1.3
179.07018	0.6
191.05528	100.0
192.05884	3.6
202.02692	0.4
215.05524	3.2
216.06219	0.3
232.06152	0.3
240.42366	0.3
285.26416	0.3
307.08313	0.6
324.06503	0.3
337.03516	0.3
337.09323	0.3
339.05124	0.9
339.08685	23.4
340.08975	2.2
351.07178	8.3
352.07602	0.8
353.09158	0.3
357.09793	0.9
359.68655	0.3
523.85382	0.3
531.15265	4.7
531.27734	1.7
532.15454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00705	0.3
60.99186	0.3
65.97418	0.3
67.01762	0.4
69.97704	0.3
70.10954	0.3
71.01262	0.8
71.57398	0.7
80.50346	0.3
80.74079	0.3
81.03326	0.4
83.04894	0.4
85.02824	7.3
87.00759	2.1
93.03340	3.6
96.95889	0.5
99.00788	0.3
108.02050	0.6
109.02835	13.5
110.03218	0.3
111.04404	1.1
121.02865	1.9
127.03904	1.5
129.03397	0.6
131.04930	0.5
137.02338	1.8
145.02849	6.2
145.03911	0.6
146.03639	0.4
147.04404	4.4
157.02863	4.2
158.03607	0.9
159.04417	9.9
159.05728	0.5
160.04736	0.4
161.02335	0.9
163.03947	1.0
171.02913	0.5
173.02350	3.1
173.04472	1.2
174.03059	1.1
175.03914	3.0
185.02354	4.3
186.03221	0.9
187.03926	1.1
191.05531	64.1
192.05876	3.0
193.06532	0.9
195.08119	0.4
196.05251	0.4
197.05980	0.8
201.01872	1.6
202.02797	0.3
203.03418	0.8
209.06056	0.6
211.07550	0.6
220.05232	0.5
221.05992	2.3
222.06699	0.5
223.07552	0.5
224.04764	1.1
225.05516	1.0
227.03397	0.4
228.00424	0.4
229.01370	39.3
230.01819	3.0
232.05215	0.6
233.06018	0.7
237.05571	0.5
238.06281	0.7
239.03539	0.5
239.07088	2.3
248.04816	1.1
249.05544	6.6
250.06201	2.8
251.07045	0.5
252.04222	0.3
253.04973	1.3
260.04745	0.4
265.05069	1.5
266.05713	1.8
267.06613	20.7
268.06943	1.6
269.08224	1.9
276.04269	0.9
277.05060	12.7
278.05609	3.5
280.03745	0.9
293.04575	5.8
294.05292	3.2
295.06094	27.7
296.06458	2.8
313.07251	0.4
321.04135	0.7
339.05075	100.0
340.05386	11.1
421.44882	0.3
487.12308	0.8
531.11377	13.1
532.11780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26888	1.1
71.01241	1.3
71.45596	2.1
85.02823	7.0
87.00761	1.7
93.03337	4.2
109.02837	14.5
110.03102	1.3
111.04362	1.2
121.02827	2.2
127.03839	1.5
135.04424	11.1
136.04752	4.1
139.07765	1.0
145.02884	6.2
147.04440	6.0
147.52234	1.1
148.51961	1.0
150.93262	1.0
157.02902	6.8
158.03622	1.5
159.04427	9.6
173.02370	3.4
173.04483	2.1
175.03908	4.4
179.03407	13.0
180.03792	5.6
185.02351	4.2
191.05542	66.3
192.05760	1.6
193.06493	1.6
201.01872	2.0
211.03946	1.6
221.06012	2.4
224.04874	1.2
225.05531	1.2
228.00832	1.2
229.01395	39.0
230.01744	2.9
239.07031	2.9
249.05568	5.9
250.06285	2.5
253.05096	1.1
265.05069	2.9
267.06589	22.3
268.06882	2.0
269.08267	2.8
277.05075	15.0
278.05682	4.4
293.04483	5.9
294.05222	4.2
295.06110	30.1
296.06384	2.0
339.05096	100.0
340.05423	8.6
518.28558	1.3
531.11493	14.1
532.12018	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1141
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
51.11021	0.4
56.55864	0.4
63.39459	0.4
64.27797	0.4
67.01738	0.6
67.44355	0.4
69.33559	1.9
69.33993	1.8
71.01258	2.0
72.17130	0.4
73.02809	0.7
78.95808	0.4
79.95638	0.5
83.04893	0.6
85.02814	8.4
86.40270	0.5
87.00743	2.4
89.02300	0.9
93.03325	5.5
96.95875	4.5
98.20486	0.9
99.00723	0.7
99.04445	0.4
101.02341	0.8
102.98466	0.5
108.01984	1.0
109.02833	14.0
109.48464	0.4
111.04387	1.4
118.02879	2.5
119.04900	0.6
120.99541	1.4
121.02835	1.7
123.04405	0.6
127.03912	2.4
129.03320	0.5
131.04874	0.5
133.02809	0.8
135.04387	0.9
137.02348	1.2
141.84128	0.5
144.04457	0.5
145.02843	5.6
145.85318	0.5
146.02367	9.6
146.03456	0.8
147.04416	5.2
148.63805	0.4
157.02849	4.9
158.03618	1.2
159.04414	9.0
160.04849	0.5
161.02356	1.1
163.03864	0.8
166.06253	1.2
171.02907	0.5
173.02365	1.9
173.04480	1.6
174.03162	1.1
175.03897	4.4
179.03397	0.7
185.02364	4.1
186.03004	0.8
187.03944	0.6
191.05528	66.4
192.05875	2.5
193.06580	0.7
197.06053	0.8
201.01892	1.4
203.03467	0.7
209.06049	0.6
211.07607	0.9
220.05045	0.5
221.05956	2.6
222.06813	0.7
223.07562	0.6
224.04768	0.8
225.05655	0.5
229.01358	32.5
230.01788	2.8
238.06342	0.9
239.07072	3.4
248.04819	1.1
249.05521	6.3
250.06360	2.9
251.07117	1.0
253.05022	1.2
265.04971	2.1
266.05823	2.7
267.06595	17.8
268.06897	1.7
269.08218	3.0
276.04303	1.0
277.05045	13.4
278.05655	3.0
280.03763	0.6
293.04559	4.8
294.05316	2.4
295.06091	25.7
296.06436	2.6
301.03381	0.6
313.06964	0.8
339.05069	100.0
340.05371	9.0
353.08527	0.5
357.06131	1.3
475.38834	0.5
487.12482	1.8
531.11426	25.8
532.11829	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	531.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65744	0.3
57.03314	0.4
59.01209	2.0
67.01740	0.5
69.03304	0.3
71.01246	1.8
71.06300	0.6
71.06647	0.3
72.99151	0.4
73.02794	0.7
81.03325	0.5
85.02820	9.5
87.00755	2.3
87.84374	0.3
89.02311	0.4
93.03328	4.9
94.03652	0.3
96.95900	2.3
98.67510	0.3
99.00708	0.4
99.04366	0.3
101.02322	1.0
108.02043	0.5
109.02827	14.2
110.03182	0.4
111.04386	1.1
113.02327	0.6
117.03285	0.4
120.99518	1.6
121.02850	2.3
125.02320	0.3
127.03893	1.7
129.03326	0.4
131.04916	0.6
133.02837	0.5
134.03636	0.3
135.04391	1.4
137.02321	2.3
145.02841	5.1
146.03622	0.5
147.04404	4.4
157.02863	3.7
158.03552	1.1
159.04408	8.5
160.04730	0.5
161.02362	1.7
163.03912	1.1
171.02919	0.4
173.02324	2.7
173.04439	1.7
174.03131	1.2
175.03912	3.3
179.03362	0.6
185.02361	3.2
186.03090	0.7
187.03951	0.9
191.05524	67.8
192.05928	2.3
193.06465	1.1
193.74484	0.3
196.05193	0.5
197.05986	0.8
201.01875	1.7
202.02524	0.4
203.03363	0.6
209.05922	0.5
211.07562	0.7
217.80522	0.3
220.05269	0.6
221.05992	2.2
222.06660	0.6
223.07599	0.5
224.04730	1.0
225.05420	0.8
229.01358	39.5
230.01793	2.8
232.04990	0.4
233.06009	0.5
237.05533	0.6
238.06349	0.8
239.03369	0.4
239.07037	3.2
248.04802	1.1
249.05487	6.4
250.06232	2.7
251.07022	0.5
252.04436	0.4
253.04970	0.9
260.04733	0.5
261.05646	0.4
265.04993	1.4
266.05844	1.9
267.06595	14.6
268.06985	1.4
269.08075	2.0
276.04257	1.3
277.05023	11.6
278.05643	2.6
279.06128	0.3
280.03760	0.8
293.04550	4.7
294.05243	2.8
295.06082	20.9
296.06448	1.7
311.05774	0.6
313.07016	0.6
339.05048	100.0
340.05392	9.3
357.06299	0.5
377.08533	0.4
409.07156	0.4
420.45895	0.3
462.72293	0.3
487.12411	1.7
531.11395	16.4
531.18536	0.6
531.28137	0.8
532.11749	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	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36921	0.6
57.33211	0.5
59.01234	1.9
69.64259	1.3
69.64655	3.8
76.15991	0.6
78.95776	18.3
96.95868	2.0
97.02843	0.6
135.86469	0.6
152.99496	3.7
168.04222	3.1
187.82491	0.6
224.06850	7.9
242.07889	1.9
255.23260	100.0
256.23605	9.4
480.30930	58.6
481.31226	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.16289	0.5
79.95612	3.7
80.96387	3.3
83.35234	0.5
87.00764	1.6
88.23015	0.4
94.97945	0.9
96.95892	12.2
103.00257	0.6
112.98695	1.5
122.97452	0.5
125.56732	0.5
133.02821	0.4
134.03671	2.2
164.98590	0.6
225.00583	0.8
227.32967	0.5
229.59415	0.6
246.53246	0.5
335.18054	0.5
463.21695	4.5
463.71970	2.3
529.30310	15.4
530.30585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63987	0.6
59.01250	100.0
70.28960	2.9
78.79757	0.7
78.95783	2.0
79.74445	0.7
80.96407	2.0
96.95946	1.3
111.59162	0.6
118.10970	0.7
149.00903	1.3
191.05591	0.9
212.10443	0.7
274.64078	0.8
277.21680	1.0
279.23312	12.0
280.23724	1.2
289.92221	0.7
311.73975	0.7
323.53864	0.8
336.76593	0.7
447.25372	3.1
463.21991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76619	0.1
55.01758	0.3
57.03325	0.4
58.00466	0.6
59.01250	100.0
60.01583	1.1
61.98721	0.1
62.78404	0.1
69.03323	0.3
71.01252	12.7
72.01591	0.2
72.08633	0.1
72.99173	1.0
73.02818	5.5
75.00753	0.2
75.67926	0.1
79.85384	0.1
83.01253	1.8
83.01695	0.1
85.02824	3.1
85.03329	0.2
87.00745	0.6
89.02315	7.3
91.06351	0.1
95.01270	1.1
95.67060	0.1
97.02834	0.3
99.00766	0.3
101.02323	7.2
113.02330	10.1
114.02728	0.2
119.03382	2.8
125.02335	0.6
131.03389	0.7
143.03413	1.0
149.04477	0.5
155.03410	0.1
161.04465	3.0
179.05521	1.5
207.17575	0.1
219.87694	0.1
233.06770	0.1
331.19165	0.2
331.94269	0.1
469.31711	2.0
470.32458	0.2
487.32697	2.6
488.33508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
55.75175	0.2
57.03313	0.4
57.90165	0.2
58.00467	0.4
59.01247	9.7
69.03318	0.3
69.31789	2.0
71.01247	6.6
72.01632	0.2
72.99174	0.4
73.02818	1.2
78.95695	0.2
80.39527	0.2
83.01250	0.7
83.04857	0.3
83.85980	0.2
85.02811	1.6
87.00750	0.9
89.02314	5.9
95.01260	0.7
97.06453	0.2
99.00760	0.3
99.04338	0.2
101.02315	6.8
111.08032	0.4
113.02326	3.0
113.09642	0.4
119.03383	1.7
125.02347	0.2
125.54691	0.2
129.36290	0.2
131.03389	0.3
141.09082	0.3
141.72287	0.2
143.03383	0.6
161.04457	3.3
167.10742	0.3
177.12733	0.3
179.05527	1.4
179.14310	0.9
179.59860	0.2
181.12215	0.2
183.10121	0.4
195.13832	9.9
196.14377	1.0
205.12247	1.1
205.15942	0.7
211.13278	0.3
223.13342	6.8
224.13925	0.2
228.13565	0.6
231.21089	0.4
235.08290	0.3
253.09253	30.6
254.09529	1.0
256.13162	1.1
265.21674	0.4
275.20132	5.7
276.20389	0.6
293.21210	100.0
294.21536	10.4
380.85049	0.2
417.06702	0.2
447.13461	0.4
492.22153	0.8
531.21741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03318	0.5
58.00467	0.5
59.01248	16.6
69.03326	0.3
69.28714	3.0
71.01248	9.3
71.04891	2.3
72.99182	0.6
73.02816	1.8
78.29388	0.3
79.95605	0.3
83.01248	0.9
83.04873	0.6
85.02837	2.3
87.00738	1.5
89.02313	8.4
91.03889	0.3
93.00446	0.3
93.52047	0.3
95.01279	0.6
97.02821	0.6
97.06473	0.5
99.00723	0.4
101.02320	9.9
112.98673	0.3
113.02322	4.4
115.03909	0.4
119.03396	2.6
125.02311	0.3
129.01791	0.4
131.03366	0.4
135.11688	1.2
140.07686	0.3
143.03371	0.9
148.27939	0.3
157.08595	4.2
158.08983	0.3
161.04459	4.3
162.04802	0.4
162.78726	0.3
177.16411	0.5
179.05499	1.2
183.13757	0.4
191.18057	0.6
209.15395	0.7
217.15904	0.6
219.17516	0.4
221.15411	0.9
226.74872	0.4
231.21097	2.4
233.15514	0.4
235.08199	2.2
235.16985	47.2
236.17310	3.9
253.09248	40.4
254.09549	2.1
275.20135	66.5
276.20505	7.1
293.21207	100.0
294.18195	0.6
294.21548	10.6
359.09888	0.3
490.29782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03331	3.9
58.00476	1.0
59.01252	18.1
63.56267	0.8
67.01744	0.7
68.99661	0.8
71.01253	19.6
72.99194	6.3
73.02852	1.2
75.00349	1.5
75.00748	20.0
78.95767	2.2
83.01250	1.2
85.02820	26.3
87.00756	8.5
87.62263	0.7
87.63815	0.8
89.02322	6.2
89.88644	0.8
95.01254	6.1
98.19733	1.6
99.00759	11.9
103.00240	3.5
103.55339	0.9
113.02329	37.3
115.00253	1.9
117.01818	3.5
129.01843	2.1
131.03400	1.3
149.04364	0.9
152.99469	2.2
154.03940	0.8
157.01289	1.2
161.45509	0.8
173.29858	0.8
175.02379	4.4
191.05470	1.2
193.03479	1.2
195.01839	0.9
205.07115	3.7
215.48361	0.8
217.54269	0.8
223.08099	1.5
229.64951	1.0
231.05052	1.0
249.06088	9.8
267.07187	9.8
279.23279	81.9
280.23541	5.4
469.28220	1.2
511.29156	2.5
529.30157	100.0
530.30438	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	529.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52179	0.4
59.01247	0.7
69.71711	1.3
69.72121	0.7
78.69987	0.3
82.64529	0.3
85.02802	0.4
96.95873	1.1
98.20470	0.4
115.07516	0.3
117.03326	0.8
127.85005	0.3
136.83437	0.3
143.07040	100.0
144.07352	3.0
145.02872	2.7
161.02354	0.5
179.03508	0.3
191.05580	1.3
267.06570	0.4
272.31476	0.3
337.03549	0.5
397.31207	0.4
457.70316	0.4
459.01141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18557	0.4
54.93977	0.4
57.03312	0.8
58.00452	0.5
59.01250	11.1
61.56016	0.4
61.98687	0.4
70.14616	1.5
71.01249	6.3
73.02819	0.7
78.95778	6.0
83.01258	0.8
83.20012	0.5
85.02821	1.4
86.67567	0.4
87.00739	1.2
87.01582	0.4
89.02316	5.8
96.95878	0.5
96.96840	0.5
99.00762	0.7
101.02321	7.4
111.08019	0.7
113.02328	3.9
119.03385	1.5
121.10103	1.1
140.16031	0.4
147.42587	0.4
148.99980	2.3
161.02390	0.6
161.04448	3.6
171.10185	3.4
179.05588	0.9
179.14268	0.9
195.13835	9.1
196.14426	0.8
205.12283	0.7
205.15952	0.9
223.13335	4.9
250.82310	0.5
253.09256	31.2
254.09566	1.8
254.18770	0.4
256.13062	0.9
275.20142	7.2
276.20621	0.9
291.19739	1.2
292.20010	1.4
293.21207	100.0
294.21548	8.7
357.57248	0.4
431.10092	0.5
447.13409	19.2
448.13727	2.0
464.16962	0.4
492.22311	0.6
529.30280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2651
Annotation	Pharboside E
Peak:m/z	Relative Intensity
51.25085	0.2
53.71965	0.2
55.01758	2.9
57.03320	2.7
58.00480	1.1
59.01250	23.9
60.01583	0.2
68.99680	0.3
69.03320	1.8
71.01250	43.6
71.57877	0.4
71.63188	0.2
72.01575	0.5
72.99174	1.7
73.02818	19.7
75.00752	1.6
78.95762	0.4
81.03331	0.8
83.01254	7.9
85.02820	20.8
85.99966	0.9
86.03158	0.5
87.00759	2.4
89.02315	8.8
93.03348	0.2
95.01265	3.0
96.95892	4.3
97.02827	2.8
99.00754	9.3
99.04402	0.5
101.02319	33.8
102.02665	0.4
111.00766	0.8
113.02326	17.1
114.02644	0.4
115.03893	1.9
119.03381	0.5
123.04396	0.2
125.02337	4.1
127.03929	0.2
129.01820	0.7
131.03383	2.1
141.01765	0.3
143.03409	2.0
145.02814	0.2
149.04454	1.6
159.02908	2.7
161.04456	19.0
162.04776	0.4
166.15979	0.2
184.00851	0.2
191.05516	1.5
205.03487	0.7
205.15938	0.2
205.93398	0.2
207.98706	0.2
215.05548	0.4
233.06647	3.0
248.02953	0.2
268.49603	0.2
293.08780	2.1
304.64023	0.2
305.17596	0.3
397.22278	23.6
398.22705	2.3
441.21136	0.6
469.24713	0.3
511.25522	0.5
529.26526	100.0
530.26862	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	529.2651
Annotation	Pharboside E
Peak:m/z	Relative Intensity
55.01762	0.5
57.03322	1.1
58.00461	0.9
58.16092	0.4
58.50233	0.3
59.01249	100.0
60.01588	1.2
61.98699	0.8
65.00183	0.7
69.03326	1.2
69.72710	1.4
69.73111	1.0
71.01251	23.2
71.04894	0.6
72.01613	0.4
72.99168	1.7
73.02818	18.1
75.00745	1.0
76.18185	0.4
78.95787	0.7
79.95616	1.1
80.96416	1.2
81.03333	0.6
83.01254	5.1
83.04953	0.4
85.02826	4.8
87.00743	2.9
89.02309	7.9
90.02705	0.4
93.03347	0.4
95.01263	1.4
96.95885	13.4
96.96852	0.5
97.02795	0.7
99.00771	1.4
101.02318	18.0
102.02682	0.7
102.98485	2.8
104.75927	0.4
107.01294	1.0
108.02077	0.7
109.02831	1.0
112.98689	0.8
113.02332	8.9
113.05943	0.5
115.03917	0.5
116.06379	0.3
116.97146	0.5
118.02222	0.4
119.03396	2.4
120.99574	2.0
123.04391	0.4
125.02338	2.5
131.03416	0.9
133.10133	1.7
135.04468	0.5
137.02333	0.4
137.09612	0.4
139.00281	0.3
143.03398	1.4
143.04489	0.5
149.04483	1.5
151.00276	2.1
151.11203	0.4
151.12831	0.3
152.91855	0.3
152.99492	0.5
153.01848	0.8
161.04465	3.0
163.03969	0.3
173.08150	1.2
185.00798	0.4
199.09616	0.6
199.86707	0.3
213.15036	0.5
225.00772	0.5
241.78978	0.4
271.02515	1.4
271.05881	0.6
271.17050	0.4
272.90900	0.4
283.04929	2.5
289.18066	2.2
299.01843	0.5
300.02823	0.7
307.19125	10.1
308.19492	0.8
309.20630	0.4
324.02853	0.8
325.20306	0.5
353.02954	0.7
358.26581	0.4
369.09787	0.9
383.11859	0.6
396.08417	0.9
397.09210	7.9
398.09628	0.9
426.15280	1.4
426.65488	0.5
448.14713	3.0
448.64825	1.5
449.14691	0.4
451.23447	1.0
469.24597	3.4
470.25406	0.4
479.83337	0.4
487.25455	4.6
488.25946	0.6
511.25427	3.6
512.18915	0.5
512.25885	0.8
529.13403	3.1
529.26538	59.7
530.14014	0.6
530.26904	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	529.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51060	2.4
57.03314	3.4
59.01252	100.0
60.77333	2.5
64.79414	2.8
69.03317	9.5
70.94244	2.4
71.01256	24.9
71.35300	6.5
72.99178	3.5
73.02812	7.2
78.95787	3.1
79.53544	2.3
80.96378	10.3
83.01315	2.9
85.02826	14.9
87.00752	3.3
89.02313	10.0
90.98476	22.0
96.95889	11.3
97.02798	3.3
99.00732	4.8
101.02332	13.7
103.59949	2.4
113.02329	19.6
114.98462	5.6
117.66389	2.4
119.03373	3.0
132.99516	3.6
141.01808	4.7
161.04440	6.0
164.32207	2.7
171.08052	11.1
185.00763	5.5
189.09178	3.5
213.09059	4.9
225.69827	2.4
227.12750	3.4
246.10463	2.7
251.12740	4.5
266.13950	7.9
287.15195	12.0
301.20285	4.1
326.16132	37.7
367.17365	2.7
382.04370	2.7
395.17126	4.2
397.09253	8.1
425.18103	25.8
426.18268	3.4
443.19037	5.4
471.78436	2.7
529.13519	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	529.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04171	0.7
53.37189	0.7
57.03299	2.8
59.01250	62.5
59.27731	0.6
63.02263	1.5
65.00193	6.0
69.03326	1.8
70.66984	1.3
70.67350	1.3
71.00896	0.9
71.01250	14.6
71.04852	1.1
71.30708	0.6
72.99175	1.3
73.02448	0.7
73.02819	9.6
75.00726	2.0
78.91737	2.0
78.95767	1.8
79.95578	1.8
80.10814	0.7
81.03310	0.9
83.00793	0.9
83.01253	7.1
83.04893	0.9
85.02847	4.2
87.00715	2.6
89.02318	5.2
89.62219	0.7
95.01261	0.9
96.95886	51.8
96.96856	1.7
97.02788	0.9
97.06482	0.7
98.95428	0.7
98.96199	0.8
99.00729	1.9
101.02316	9.6
101.21527	0.6
107.01261	8.3
107.04836	0.7
109.02864	0.6
109.06443	1.1
111.00750	2.0
112.98653	1.8
113.02319	5.2
117.03334	0.8
119.03329	2.0
123.00710	0.9
123.04347	0.8
124.01535	2.6
125.01434	1.3
125.02331	20.9
131.95590	0.7
133.02846	1.3
135.04341	0.7
137.02283	1.4
137.09612	1.9
139.07487	0.7
143.03336	0.8
149.04482	0.9
149.05893	0.9
151.00269	29.9
151.07480	0.9
151.11159	1.5
151.42659	0.6
152.00812	1.5
159.04379	1.3
161.02327	3.0
161.04437	2.8
161.05962	2.0
165.01810	2.9
167.03355	1.1
169.01288	2.1
171.08035	0.9
174.03110	1.7
175.03879	0.8
177.01797	4.4
177.05482	4.8
183.58211	0.7
185.02347	0.9
187.03958	3.2
187.07622	0.8
188.04718	1.7
189.01801	2.4
189.05492	2.1
190.02565	1.2
191.03439	5.2
191.05023	0.9
193.01385	1.5
199.03952	0.9
201.01831	1.5
201.05551	3.4
203.03391	1.9
203.06996	1.6
205.05005	3.5
213.01892	1.4
213.09122	1.0
214.02719	1.6
215.03435	2.6
215.07092	4.0
216.04018	1.7
216.07770	3.7
217.01350	1.8
217.05092	0.8
217.08649	1.5
225.05461	1.5
227.03477	5.4
227.06937	1.0
228.04227	0.8
229.05011	4.9
231.02933	2.6
231.06593	6.6
239.07033	1.1
241.04987	3.3
242.02214	1.4
242.05798	2.6
243.02989	1.8
243.06551	5.3
244.07419	7.8
245.04646	0.7
245.08083	3.0
253.04942	2.9
255.02893	5.7
256.03751	2.2
265.05215	1.1
265.18066	1.3
267.03116	0.8
267.06555	2.0
269.04544	1.4
269.08099	1.1
270.05283	4.9
271.02441	4.2
271.06085	6.6
272.03241	2.1
281.04691	1.4
281.08057	1.0
283.02530	1.2
284.03189	1.1
285.03928	1.6
285.11389	0.8
289.18085	1.2
294.05267	1.9
295.02484	0.8
295.06030	1.6
297.03976	2.5
297.07111	0.9
299.01883	5.2
299.09186	1.5
300.02737	6.3
307.19321	4.2
309.07700	1.0
311.01978	1.8
311.05569	1.5
311.09155	1.2
313.03510	2.8
323.02097	1.2
323.09296	2.6
324.02841	9.0
325.03531	16.1
325.07101	0.7
325.20160	1.1
326.03830	1.3
333.07687	0.9
339.05103	1.6
339.08688	1.8
340.02206	0.9
340.05771	0.9
341.03128	1.6
350.04071	0.9
351.08777	1.9
353.02972	8.8
353.06735	1.4
354.03311	1.5
361.07269	4.1
362.07779	0.9
367.04068	0.8
367.08139	8.4
368.08960	28.6
369.09311	2.8
377.12531	0.9
378.07397	2.3
379.08197	13.2
396.08469	100.0
397.09158	48.8
398.09546	2.8
403.10571	2.0
426.14737	0.7
443.16122	1.8
448.14639	4.5
448.64758	2.2
469.24149	3.9
487.25549	2.4
501.13998	1.0
511.25562	2.1
529.13525	78.4
529.26251	39.8
530.13708	10.6
530.26959	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	527.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58027	0.4
57.14773	0.5
58.02827	0.6
59.01251	8.7
61.98692	2.0
66.79388	0.5
68.81931	0.4
69.03338	0.7
71.01245	2.6
71.52979	0.5
71.58327	0.5
72.99165	3.0
73.02799	1.1
75.00742	100.0
76.00270	0.9
76.01079	1.6
78.98455	0.8
79.95587	1.3
80.96387	11.2
81.03308	1.3
83.04888	4.4
85.02821	0.7
87.00742	1.2
89.02302	0.8
94.97956	2.4
96.95878	1.4
98.02361	0.7
99.00696	0.5
101.02318	1.5
106.97987	0.6
108.04404	0.5
113.02364	0.6
125.02352	0.5
125.07061	0.8
134.97473	0.9
148.99030	1.4
152.98485	0.8
164.98547	3.0
201.72330	0.4
206.99620	0.7
223.14479	0.5
224.17592	1.5
225.00618	2.9
225.15981	1.7
323.11310	0.8
333.22943	1.2
340.26181	1.0
341.64670	0.4
351.23923	0.9
363.98697	0.5
447.29987	0.7
449.31311	5.3
450.31586	0.9
451.32919	1.1
465.30493	1.0
467.32294	31.6
468.32446	3.7
476.93756	0.5
527.18066	17.8
527.24628	0.7
527.31903	1.0
528.18365	2.9
528.31787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46246	0.5
55.01749	0.5
57.03316	1.0
59.01247	100.0
60.01595	1.2
61.98709	1.7
71.01252	10.2
72.99166	0.6
73.02826	2.9
78.95776	1.1
83.01270	1.8
85.02816	5.2
87.04395	1.3
89.02338	1.1
95.01273	1.3
96.95895	1.7
99.00761	1.5
101.02320	5.8
102.02734	0.5
107.86535	0.6
108.18376	0.5
112.98689	0.6
113.02312	5.2
120.93478	0.6
143.03448	1.1
149.57445	0.6
152.99495	1.1
161.04456	4.4
186.66374	0.7
191.05701	0.9
209.11844	0.8
225.11275	0.6
323.25845	0.9
467.30048	9.9
467.36221	0.7
468.31125	1.5
485.31134	7.2
486.31439	1.3
525.56580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.38036	35.2
62.62582	41.0
71.58699	52.7
76.14171	38.5
76.31571	37.2
162.37531	37.3
266.66135	38.6
413.85004	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
58.00463	0.2
59.01245	5.1
67.92988	0.1
69.03315	0.1
71.01250	3.7
71.52906	0.2
72.99183	0.1
73.02810	0.6
78.95765	0.3
83.01252	0.5
84.78024	0.1
85.02834	0.8
87.00730	0.5
89.02312	3.1
89.02826	0.2
91.03913	0.2
95.01247	0.3
95.04869	0.3
97.02845	0.2
97.06436	0.2
101.02319	4.0
101.02992	0.2
106.04173	0.1
109.02834	0.1
113.02323	2.0
117.03251	0.1
119.03391	1.2
119.04946	0.2
125.05958	0.5
131.03407	0.2
131.79860	0.1
141.09052	0.2
143.03406	0.4
145.02814	0.2
148.08826	0.8
149.04419	0.2
149.09589	0.1
150.10402	0.8
151.11169	0.3
161.04469	1.5
163.11218	0.6
165.12756	15.7
166.13077	0.6
175.11223	0.3
176.11960	0.3
177.12788	0.2
179.05482	0.5
179.14316	0.2
189.12752	0.2
191.14372	0.5
217.15892	0.4
219.17508	0.1
229.19586	0.1
235.08168	0.2
245.18932	0.2
245.74339	0.1
247.20630	8.4
248.21031	0.6
253.09254	15.9
254.09680	0.7
273.18591	4.7
274.18845	0.3
291.19638	100.0
292.19977	8.2
310.70682	0.1
527.29926	0.2
528.30737	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95805	0.8
57.03305	0.9
59.01242	10.0
61.98700	0.8
65.75230	0.8
68.47984	0.9
69.94421	3.3
69.94836	1.6
71.01245	5.6
71.04888	15.3
72.99205	0.9
83.01256	1.2
83.47083	0.8
85.02856	0.8
87.00729	0.9
89.02317	4.2
96.95885	0.7
97.06461	3.5
101.02325	4.3
111.08046	1.0
113.02325	2.3
113.09590	1.8
152.91524	0.9
161.04449	1.3
163.14839	0.9
181.12263	1.5
195.13745	1.5
196.14540	0.8
207.13867	1.4
219.13869	2.3
235.16980	3.0
247.20554	1.5
253.09258	15.7
254.09666	1.6
273.18472	1.5
283.44992	0.9
291.19647	100.0
291.77365	0.8
292.19968	10.3
527.28473	3.0
542.01068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95805	0.8
57.03305	0.9
59.01242	10.0
61.98700	0.8
65.75230	0.8
68.47984	0.9
69.94421	3.3
69.94836	1.6
71.01245	5.6
71.04888	15.3
72.99205	0.9
83.01256	1.2
83.47083	0.8
85.02856	0.8
87.00729	0.9
89.02317	4.2
96.95885	0.7
97.06461	3.5
101.02325	4.3
111.08046	1.0
113.02325	2.3
113.09590	1.8
152.91524	0.9
161.04449	1.3
163.14839	0.9
181.12263	1.5
195.13745	1.5
196.14540	0.8
207.13867	1.4
219.13869	2.3
235.16980	3.0
247.20554	1.5
253.09258	15.7
254.09666	1.6
273.18472	1.5
283.44992	0.9
291.19647	100.0
291.77365	0.8
292.19968	10.3
527.28473	3.0
542.01068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29285	0.8
55.01751	1.0
57.03321	3.3
59.01252	18.3
63.32872	0.8
68.99687	0.8
69.03306	0.8
71.01253	24.8
72.99186	6.8
73.02830	2.0
75.00747	21.2
78.95782	2.2
83.01266	1.8
85.02823	31.2
87.00762	9.1
87.96873	0.9
89.02326	6.5
95.01266	5.6
99.00771	10.3
103.00257	3.8
111.00755	1.4
113.02330	40.4
115.00262	2.1
117.01793	4.0
129.01819	2.5
152.99487	3.1
156.15704	0.8
157.01299	1.4
175.02414	5.9
205.07129	3.6
223.08145	1.9
249.06146	9.1
253.21678	5.6
267.07199	11.0
277.21722	68.4
278.22034	5.0
279.23355	1.0
478.29279	4.4
509.27362	2.0
527.28619	100.0
528.28864	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	527.2529
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
52.63164	0.8
59.01243	2.8
59.04406	0.8
59.44758	0.7
61.98705	0.9
63.96092	1.0
69.03337	1.1
69.93674	0.7
71.01247	7.8
71.57410	1.7
73.02828	1.3
78.95770	0.8
78.98448	5.2
79.95598	10.1
80.96389	65.5
85.02818	3.0
87.00729	2.7
89.02254	0.8
94.97964	14.9
96.95882	0.9
97.02840	1.7
97.06457	1.2
99.00716	1.0
101.02319	3.4
106.97972	3.4
113.86714	0.7
119.88651	0.8
122.97466	2.6
123.73919	0.8
125.02321	3.1
134.97496	4.6
136.99036	1.6
148.99062	7.3
152.98495	5.0
155.19975	0.9
164.98549	12.0
195.13885	0.9
206.99591	1.9
211.13409	1.1
213.14876	2.5
214.15138	0.8
225.00688	15.4
226.69493	0.8
227.20142	2.0
253.09241	1.7
291.19690	6.2
299.04419	3.3
409.29459	1.4
527.25317	100.0
528.25635	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	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	0.9
61.94786	0.2
61.98717	0.4
69.33905	0.7
69.34327	1.6
71.01257	0.5
85.02850	0.2
87.00766	0.5
89.02319	0.4
96.95878	0.4
101.02316	0.3
107.63834	0.2
112.98708	0.7
113.02319	0.3
121.02848	0.5
129.15276	0.2
188.41214	0.3
195.63803	0.2
209.12022	0.3
212.63191	0.3
217.00310	0.3
225.11446	0.3
225.34161	0.3
253.09346	0.2
258.84317	0.2
291.19809	0.8
298.64389	0.3
527.29535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	85.5
63.42398	1.4
69.03295	2.5
70.53649	2.9
70.54002	4.2
71.01242	12.1
73.02815	52.6
75.00786	1.7
83.01266	3.8
85.02830	2.5
87.00742	3.2
89.02320	4.0
96.95874	11.9
101.02314	11.8
109.02839	2.6
110.03651	1.8
111.04446	1.7
112.98635	1.8
113.02315	4.4
113.05967	2.2
114.57600	1.6
139.07500	2.1
153.01805	2.8
163.11252	2.0
205.15855	1.9
213.65846	1.5
215.14517	1.9
219.13843	20.2
233.15450	6.4
238.96188	1.7
243.10107	1.6
261.14890	6.1
263.12854	100.0
264.13110	7.5
277.14404	21.3
305.13968	23.3
305.17343	3.1
306.14285	1.9
343.08459	3.9
404.82278	1.7
412.72394	1.6
527.12262	2.1
527.25018	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28325	0.5
59.01246	3.6
59.54829	0.4
63.96082	1.0
67.05845	0.4
68.94022	0.4
69.03329	1.1
69.41557	2.3
69.41975	1.3
71.01255	7.6
73.02825	2.1
78.98461	5.5
79.95118	0.3
79.95605	10.6
80.96391	63.4
81.03327	0.9
83.01310	0.5
83.04881	0.6
85.02816	2.6
85.50346	0.6
87.00748	3.1
94.97955	15.7
96.95875	2.1
97.02834	1.4
99.00760	0.6
101.02328	3.1
106.97961	2.8
113.02363	0.6
122.97473	3.2
125.02374	2.7
127.03886	1.0
132.50842	0.4
134.97479	4.4
136.99045	1.3
137.35475	0.5
141.97752	0.5
148.99052	6.2
152.98549	6.1
164.98541	13.1
167.00085	0.6
188.98517	0.4
206.99593	3.3
209.11736	3.2
219.74696	0.5
225.00684	18.6
299.04413	3.0
527.18024	100.0
528.18396	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	527.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36551	7.0
57.03336	40.3
59.01251	37.5
71.01251	25.5
71.58450	14.4
73.02828	13.2
73.49531	7.5
78.95796	9.5
85.02795	7.8
96.95891	79.4
101.02340	15.6
135.04410	14.5
144.19839	7.4
173.04495	9.1
175.11203	7.8
191.05553	16.0
192.29453	8.4
209.00584	8.4
231.17497	8.7
235.13332	58.9
237.05551	16.3
245.00943	8.2
252.40945	9.0
265.05066	67.3
267.06638	25.2
279.12375	100.0
281.04510	9.4
309.03992	42.3
352.02637	9.0
353.02939	12.7
356.40912	7.8
449.03781	8.2
483.18689	13.3
527.17633	22.7
528.09528	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	527.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01976	1.0
59.52509	1.1
68.65750	1.0
69.83231	1.0
85.17479	0.9
235.99048	1.1
383.09579	1.3
393.07681	1.1
397.07172	2.6
407.05490	1.5
408.06470	1.0
410.07693	1.7
411.08630	8.1
421.07080	10.9
422.07571	3.7
423.08871	1.2
441.09872	3.1
450.07214	2.3
451.08334	1.4
455.11374	8.5
465.09671	9.9
466.10614	4.5
466.83673	1.0
467.10770	1.2
469.09561	1.3
483.10324	6.5
484.11768	1.2
485.12396	1.5
494.10233	2.4
509.12344	11.5
510.12802	2.6
527.13470	100.0
528.13763	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	527.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	42.6
59.01248	53.0
69.87863	38.5
69.88274	16.9
71.01255	21.5
73.02810	12.4
79.95595	16.1
96.95889	84.8
101.02337	20.2
101.09767	8.8
113.02357	12.1
119.19059	8.2
123.04430	15.3
135.04393	20.5
150.03151	13.2
151.03954	10.0
163.03880	10.2
165.05511	12.7
165.86945	9.1
191.05484	19.2
209.06145	10.3
235.13409	56.6
237.05576	21.3
245.00899	9.9
248.04758	15.4
263.03436	14.6
265.04956	100.0
267.06583	41.2
268.07080	10.7
279.12344	86.1
281.04459	13.0
297.65359	10.0
309.04053	45.5
310.04721	10.4
352.02045	13.4
353.03165	27.9
511.50000	10.6
527.08661	11.2
527.17773	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	527.1345
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
50.54978	0.5
59.01240	0.8
62.66749	0.5
65.36201	0.5
68.81661	0.5
70.97009	1.3
82.77740	0.5
99.25139	0.5
101.95805	0.5
151.63135	0.5
162.73067	0.5
222.06042	0.5
353.08258	0.5
355.06195	0.7
369.07574	1.2
379.05753	0.6
383.05139	1.0
383.09412	1.4
384.05777	0.8
393.07782	1.7
394.08044	0.7
395.09305	1.6
397.07184	3.6
398.07724	0.9
407.05542	2.2
408.06030	1.1
409.06870	0.9
410.07919	1.6
411.08844	8.1
412.09161	2.0
413.10345	1.0
421.07068	5.1
422.07816	3.1
423.08521	0.8
425.06326	1.4
426.07065	2.6
435.04828	1.1
437.10202	1.1
439.07376	1.1
440.08566	1.1
441.09558	3.4
448.09628	0.8
450.07474	1.2
452.08847	0.9
454.11124	1.0
455.11438	13.1
456.11514	1.7
465.09778	5.3
466.10443	4.6
467.11115	1.3
470.09622	0.6
483.10553	4.1
484.11316	1.3
485.12524	2.5
494.10245	1.6
509.12411	8.0
510.12793	1.3
527.13458	100.0
528.13800	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	526.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.9
70.82278	0.8
74.91117	0.2
76.63612	0.2
78.95777	14.8
80.96387	0.7
93.69568	0.3
107.87589	0.3
122.98425	0.4
124.24155	0.3
146.63078	0.2
152.99495	2.2
168.04216	2.8
188.62837	0.2
197.11772	0.3
224.06882	7.0
224.27428	0.2
227.20123	100.0
227.95850	0.3
228.20471	6.7
230.19415	0.2
242.07993	1.4
306.54901	0.2
452.27814	57.2
453.21945	0.3
453.28195	5.9
527.25299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18798	0.8
57.03309	1.1
59.01245	13.2
61.98697	1.5
62.01138	0.6
69.63575	5.8
71.01247	2.7
71.27234	0.8
72.99156	1.3
73.02816	2.5
75.00725	0.9
80.96395	1.2
82.85156	0.8
83.01241	3.3
85.02801	1.4
87.00722	0.9
93.03331	17.9
94.03626	4.2
96.95882	6.2
98.02304	0.9
98.95444	1.2
101.02313	3.2
113.02284	0.9
121.02845	7.0
123.04408	4.3
125.02357	0.9
137.02333	17.6
138.02699	6.0
139.03888	5.7
139.11156	2.8
146.06036	1.1
150.09137	4.1
152.98254	0.7
157.03918	1.3
158.05943	1.3
159.01904	1.0
171.05528	1.1
174.05499	1.7
181.12187	0.9
183.10132	2.2
184.02655	1.0
185.07103	1.5
187.01419	7.1
187.05005	1.6
192.10139	2.1
197.11737	1.1
199.05074	6.6
200.02161	3.2
201.02843	1.4
201.06586	3.6
202.00018	1.1
204.01614	1.2
211.08815	1.0
213.02977	0.9
213.06589	2.6
215.04614	1.1
225.00659	0.9
225.11264	3.5
226.11594	1.6
227.04520	4.9
227.08041	1.5
228.01653	1.8
229.06020	1.7
230.06868	1.9
231.07651	2.2
237.06686	1.4
239.08203	2.1
240.03033	1.7
241.02354	1.3
241.06084	4.0
242.06853	1.8
243.01541	0.7
243.04001	4.0
243.12325	2.6
244.06084	2.3
251.04501	1.5
254.04460	2.4
255.04094	1.4
255.07666	15.7
256.04840	1.6
256.08017	1.6
257.05670	9.9
258.06277	4.8
263.12698	1.0
265.06149	1.8
268.04871	3.3
269.05591	5.7
269.08398	1.1
270.10107	1.2
283.07208	81.2
284.07654	7.2
289.08200	1.2
289.18265	1.0
290.09091	1.6
297.08963	1.2
298.09494	3.0
311.06732	5.3
315.06100	1.3
325.08173	5.6
326.09042	18.8
327.09518	1.7
327.14377	1.0
351.12292	1.0
387.16489	2.0
388.16711	2.1
450.16669	100.0
451.16882	10.2
509.20151	2.9
526.18280	59.6
527.18427	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	525.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42024	0.6
57.03333	0.7
58.00470	1.0
59.01249	100.0
60.01588	1.0
61.98705	6.2
62.54483	0.9
70.21219	0.8
70.93815	1.3
71.01249	34.8
72.99193	1.4
73.02817	20.8
78.95744	1.2
83.01250	7.2
84.61669	0.8
85.02831	5.7
87.00758	1.6
87.04388	2.7
89.02312	12.7
90.01858	0.9
95.01280	2.3
96.95913	1.6
97.02819	1.1
99.00755	1.6
101.02325	21.3
113.02330	18.8
119.03387	4.3
125.02322	1.3
131.03461	2.3
143.03421	2.5
149.04488	2.4
150.47687	0.7
157.06583	0.9
161.04474	6.0
179.05536	1.4
271.34784	0.8
289.18149	2.0
465.28827	3.0
483.29886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.3
59.47717	0.4
61.98692	0.5
62.85992	0.4
63.12648	0.5
65.78719	0.4
71.01254	2.5
71.58492	0.7
73.02797	1.0
89.02282	1.1
90.96999	3.5
95.01289	0.4
96.95854	1.0
101.02285	1.4
113.02294	1.4
118.96478	1.8
132.98083	8.1
152.01097	0.6
160.97554	1.7
167.03394	0.6
167.05925	0.4
174.99161	25.6
181.12213	0.8
183.13840	5.3
186.99246	1.0
189.00815	0.6
195.13800	3.7
199.62651	0.4
201.00681	0.7
213.14867	3.8
215.02263	1.1
227.02238	0.5
229.03882	1.2
243.05412	2.2
244.23083	0.5
255.09081	2.0
257.06885	0.5
257.10706	3.4
259.06415	0.6
265.07458	1.6
267.09232	2.3
269.07907	0.4
269.10709	2.6
277.07544	1.3
279.09003	0.7
283.08655	1.8
289.06973	0.6
295.08606	1.7
297.10172	12.0
298.10638	0.9
299.11743	30.0
300.12067	1.9
301.09561	0.7
303.19833	0.6
309.10220	2.4
311.11737	81.3
312.12061	6.0
313.09991	0.6
341.09174	1.4
343.10773	3.9
344.10852	0.5
355.10678	1.4
364.96616	0.6
365.16080	0.6
367.18280	1.0
391.54266	0.5
392.42645	0.4
401.19891	0.7
407.21237	1.0
419.21393	0.8
421.22711	6.8
422.22885	0.9
423.24246	10.1
424.24594	2.0
433.22540	6.1
434.23218	0.9
435.24225	13.0
436.24738	1.5
447.24207	8.0
448.24652	0.7
457.65067	0.5
463.23929	3.6
465.25336	100.0
466.25671	14.0
467.23343	3.4
468.23611	0.5
479.23224	1.3
509.24493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.6
71.01252	0.8
71.36013	0.4
80.02562	0.2
95.01274	0.2
108.02047	30.7
109.02381	0.7
113.02312	0.4
122.88203	0.2
123.00736	0.4
123.04408	13.3
124.04722	0.4
145.49294	0.2
152.01054	44.2
153.01395	1.9
167.03409	100.0
168.03745	3.8
176.41197	0.2
177.01799	0.2
213.14973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14724	0.6
59.01251	5.9
69.03331	1.3
69.44767	4.1
69.45188	2.2
71.01245	2.5
72.99181	0.8
75.00693	0.7
78.32603	0.6
78.95774	5.2
83.01224	0.8
85.02817	2.8
87.00725	1.1
89.02293	0.8
93.03326	1.0
96.95895	5.8
97.06479	1.6
98.19817	1.1
101.02335	1.7
113.02312	1.4
121.02902	1.1
125.02302	0.9
133.02875	1.0
135.04404	2.2
136.01558	1.7
146.03560	0.9
151.00224	0.9
151.03871	1.6
159.20248	0.6
161.02335	0.8
164.59749	0.8
171.10199	4.6
177.12738	0.7
179.03467	1.4
183.13844	2.0
191.05577	2.4
209.11714	1.5
210.06847	0.7
211.13356	8.4
221.11765	1.3
225.05536	0.9
229.14406	7.4
239.12866	1.4
241.16141	0.7
283.02594	0.9
284.90292	0.8
291.19659	1.1
327.21765	100.0
328.22098	8.8
477.18088	1.1
525.24908	8.3
526.27441	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	525.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01243	11.2
61.98690	0.9
63.04201	0.6
67.01761	0.5
67.71838	0.6
69.03326	0.9
69.43604	1.3
69.44017	3.3
71.01250	33.5
71.12359	0.6
72.99181	1.1
73.02798	3.1
79.95155	0.9
79.95598	8.5
80.96385	30.6
83.01227	1.3
85.02815	8.5
87.00748	7.4
89.02291	1.4
94.97940	1.0
95.01244	2.3
96.95888	25.0
99.00758	0.7
101.02320	1.8
103.00237	4.6
109.02898	0.6
110.45263	0.6
111.00774	1.2
113.02327	17.0
115.00249	22.7
116.00550	0.5
120.99538	1.0
122.97459	1.2
126.90412	0.5
129.01834	0.6
134.97388	0.6
137.02368	0.6
138.96965	7.0
149.00832	1.1
152.98523	0.7
157.01315	3.3
164.98589	0.8
166.96428	3.9
174.97061	1.0
175.02383	38.6
176.02736	0.8
182.97260	0.6
192.98036	9.3
210.99014	1.5
225.00734	1.6
236.97009	0.9
254.98128	100.0
255.98509	2.8
437.09128	1.8
524.27795	1.9
525.09735	0.7
525.16522	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	523.2191
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59027	0.3
52.32148	0.3
53.70920	0.3
56.67539	0.3
59.01253	7.2
62.63188	0.3
63.71280	0.3
71.01257	2.8
71.58427	0.4
72.99158	0.3
73.02825	0.8
75.00752	0.3
77.90099	0.3
85.02811	1.6
89.02328	0.8
93.03352	1.4
96.95901	1.8
97.02866	0.3
101.02332	1.9
102.98508	0.6
108.02057	1.1
108.51426	0.3
109.02844	5.6
111.04445	0.6
113.02319	1.4
121.02841	16.5
122.03637	12.8
123.00780	0.3
123.04468	2.1
124.01556	2.0
129.03387	0.7
133.40294	0.3
134.03630	0.9
135.04404	2.2
136.05168	1.0
137.02348	3.6
138.02850	0.4
146.03632	1.0
147.04419	7.5
147.91769	0.3
148.05081	0.6
149.05960	1.6
150.03119	0.5
151.03883	0.3
153.01805	0.4
154.02623	2.3
161.04639	0.6
161.06007	2.1
162.06786	0.4
163.03918	0.6
164.04758	0.6
165.05489	26.8
166.05815	1.3
168.04147	0.5
175.07581	0.4
178.06142	0.4
179.07042	9.4
180.07344	0.4
191.03473	0.3
191.05540	0.7
191.07086	0.4
208.07367	0.4
209.08157	1.3
223.09679	1.2
298.12091	0.9
301.10840	0.5
313.14429	1.0
315.12402	3.2
316.13043	0.7
331.11777	0.3
331.15488	0.4
343.15259	0.6
344.12793	0.3
345.13391	0.4
346.14197	9.9
347.14484	1.4
361.16577	100.0
362.16919	11.1
362.21408	0.7
386.42007	0.3
463.21802	0.4
489.61957	0.3
505.26062	0.4
523.13098	0.4
523.19977	0.5
523.27606	6.7
524.28156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.5
57.03309	3.0
57.21013	1.1
58.02845	10.0
59.01250	13.7
59.32830	1.0
60.73851	1.0
62.46851	1.0
69.03332	1.5
70.02860	1.4
70.41602	2.9
71.01249	13.9
72.00794	1.4
72.99167	0.9
73.02823	4.2
73.27041	0.9
74.02341	20.9
82.02859	5.5
83.01243	6.9
83.04898	2.1
84.04437	0.9
85.02826	6.6
86.05984	1.5
87.00798	1.2
87.05516	8.4
89.02321	2.4
95.01284	1.2
96.04430	12.4
96.36930	1.0
96.95862	2.3
97.03945	13.4
98.02367	5.1
98.05994	1.0
98.20512	1.5
99.00745	2.1
99.05507	20.1
100.00281	2.5
101.02318	14.6
108.04434	12.3
109.03955	2.8
110.02358	3.9
111.98951	0.9
112.03925	14.8
112.07561	14.2
112.40276	1.0
113.02314	5.3
113.03454	7.1
119.03379	2.2
122.05998	5.0
124.03950	11.0
125.03439	4.5
125.04748	5.3
126.04254	1.1
126.05503	3.2
127.05027	12.4
127.08649	1.6
137.07153	4.7
138.05457	1.0
139.08716	1.2
140.07074	20.0
142.03253	1.4
143.04510	3.5
143.10660	1.3
147.05573	1.1
149.04471	1.0
150.04224	1.7
152.03433	7.4
155.08171	33.1
159.02945	1.2
160.00645	1.7
161.04428	1.5
165.06606	27.5
166.04999	2.8
168.05157	1.1
169.06071	2.6
170.03212	1.2
177.03278	2.5
179.05481	1.1
181.06096	1.4
183.07666	47.6
186.02238	1.6
197.05615	2.0
207.12120	1.1
209.05580	6.3
212.71104	1.0
215.06744	2.4
217.12279	2.8
225.05132	3.1
227.06677	100.0
228.06946	3.1
229.04008	1.0
238.28789	0.9
261.05481	98.8
262.05777	4.5
290.24026	1.0
295.10095	3.8
361.29468	6.8
368.71457	1.2
368.97641	1.1
391.16782	1.2
523.17566	83.6
523.34766	53.3
524.17712	11.2
524.35272	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	523.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20886	0.2
51.51599	0.2
56.85105	0.2
58.00460	0.2
58.13392	0.2
59.01244	2.5
65.67982	0.2
69.35106	1.8
71.01257	1.2
72.99165	0.3
73.02811	0.6
78.95776	4.0
79.76671	0.2
79.95603	2.4
85.02811	0.6
87.00750	0.3
89.02311	0.5
96.95885	100.0
96.96782	7.2
97.03930	0.2
97.95844	0.3
98.02349	3.0
99.00771	0.2
99.80855	0.2
101.02319	1.1
113.02333	0.5
119.04964	0.2
125.02319	0.2
149.00844	0.2
151.00186	0.2
161.79413	0.2
163.03920	0.4
169.01303	0.2
225.37631	0.2
254.43457	0.2
361.29645	0.6
457.29590	0.2
523.21814	1.4
523.34528	2.4
544.43561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39292	0.9
55.01761	1.6
57.03324	1.5
58.02849	12.3
59.01248	17.2
60.18743	0.9
61.98698	2.0
67.91387	0.9
69.03321	0.9
70.02846	1.9
71.01252	13.0
71.57605	1.4
72.99175	1.3
73.02814	4.4
74.02342	23.0
78.95767	1.5
80.04919	0.9
80.27637	0.9
82.02837	4.8
83.01256	5.1
83.04907	1.7
84.90517	0.9
85.02822	7.4
85.03956	2.0
86.02330	2.0
86.05986	1.8
86.98918	1.3
87.00756	2.2
87.05511	7.9
89.02317	3.2
90.00060	1.1
93.03321	1.8
95.01247	1.2
96.00788	1.2
96.04424	13.3
96.95895	11.5
97.02903	1.0
97.03956	11.9
98.02348	7.8
98.05927	1.1
99.00713	1.4
99.04921	1.5
99.05514	16.6
100.00272	3.4
101.02322	11.1
108.04424	14.0
109.03947	2.5
110.02347	4.0
110.05974	1.5
111.03156	1.6
112.03925	17.0
112.07574	15.5
113.02307	3.9
113.03467	9.1
114.05463	1.8
116.01604	1.8
119.03379	1.3
119.04919	2.9
122.05984	3.7
124.03925	10.3
125.02341	0.8
125.03465	3.9
125.04729	5.6
126.04294	1.2
126.05485	3.8
126.06348	1.0
127.05043	15.4
127.08630	1.5
131.04509	1.7
135.04468	1.1
137.02322	1.1
137.07088	8.4
138.05537	2.8
140.07082	19.7
141.07329	1.2
142.03210	2.6
143.04492	5.1
149.00787	2.4
150.04279	2.1
152.03413	6.7
153.06627	1.4
155.06950	1.9
155.08167	34.0
160.00690	2.0
161.04491	2.3
165.06607	29.0
166.04974	3.1
169.06096	1.2
173.13313	1.3
177.03268	2.1
179.03416	1.6
181.06064	2.5
183.07671	46.2
184.07983	2.2
186.02252	1.4
207.11876	1.2
209.05656	6.9
215.06685	4.2
217.12273	3.3
225.05147	2.7
227.06683	94.0
228.06995	4.7
251.11075	1.9
261.05496	100.0
261.11325	3.8
262.05780	6.1
275.34100	0.9
295.10059	4.7
361.29553	6.9
418.11926	1.1
463.33252	1.5
522.33301	2.5
523.17462	71.7
523.34528	25.1
524.17700	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	522.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.57124	0.5
59.01257	5.4
67.66840	0.6
68.01277	0.8
69.23363	0.6
69.49363	1.2
69.49775	4.0
71.01257	3.5
73.02822	0.7
78.95782	6.3
79.95587	1.8
83.02381	0.7
85.02827	0.9
87.00771	1.2
89.02322	1.1
96.95891	57.9
96.96807	9.0
97.95834	1.5
98.02354	100.0
98.95473	5.3
98.96327	1.3
99.00761	2.4
99.01888	4.8
99.02673	1.8
101.02325	1.7
111.04391	1.8
113.02314	1.1
115.59555	0.6
119.04908	1.3
147.14023	0.6
172.96790	0.6
173.13258	0.9
216.82982	0.6
217.12267	5.6
237.67117	0.7
256.13461	1.6
261.11334	6.7
300.12390	6.5
328.16470	0.7
390.16489	0.7
522.26440	1.3
522.33264	0.9
523.35040	2.7
549.58990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75655	0.1
59.01251	0.9
70.64909	0.4
70.65255	0.2
71.01232	0.2
73.02813	0.2
83.41073	0.2
86.24259	0.2
87.00754	0.2
93.03333	0.5
98.20519	0.2
117.03328	0.2
119.04908	100.0
120.05246	4.2
129.90732	0.2
137.91313	0.2
141.01585	0.2
142.36375	0.2
149.00836	0.2
163.03908	76.7
164.04242	3.5
213.14803	0.2
214.29848	0.2
219.16191	0.2
234.83421	0.2
249.18604	0.2
317.21173	26.8
318.21512	2.0
325.20142	0.3
333.12485	0.2
394.70535	0.2
521.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
63.29337	21.6
63.43482	20.2
71.59132	50.1
76.82355	21.2
78.95779	34.3
96.95880	51.1
105.58253	21.8
187.10968	23.0
194.98756	21.9
337.23416	24.4
463.11044	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.4
57.03326	8.1
58.00461	4.5
59.01250	85.7
61.98695	0.8
64.23956	0.7
69.03310	1.7
71.01252	74.8
71.04877	3.3
72.01555	0.9
72.99180	9.3
73.02438	0.9
73.02814	13.1
73.82969	0.6
75.00737	1.2
78.95763	1.2
79.95566	0.7
83.01262	8.6
83.04873	1.2
85.02822	24.7
86.03201	0.8
87.00752	20.8
89.02315	45.7
93.06969	2.4
93.30782	0.7
95.01266	5.5
96.95269	1.0
96.95888	16.8
97.02809	1.5
97.06459	1.2
99.00768	4.9
99.08038	1.3
101.02322	48.3
109.02856	0.7
111.00796	1.6
111.08013	1.5
112.98697	4.2
113.02335	27.4
114.02672	0.8
115.00251	3.1
119.03391	21.1
120.99561	8.0
123.08044	0.8
125.02325	1.2
128.03387	0.8
129.01865	0.8
131.03394	2.2
133.02879	1.1
135.04440	1.7
139.00233	0.9
139.11197	1.2
143.03421	4.9
143.10654	2.3
147.04370	1.0
149.00815	9.3
149.04434	1.1
157.01295	1.0
159.02899	2.3
159.04243	1.2
161.02328	1.1
161.04497	12.0
161.05832	1.6
171.04414	0.7
173.05934	1.7
174.01694	0.9
174.06682	1.0
175.02373	7.6
175.03932	2.3
175.07538	3.1
177.01836	1.5
177.05467	1.1
179.03365	1.0
179.05554	6.3
186.06802	1.9
187.07628	1.6
201.05447	1.4
201.09070	1.1
203.07013	2.1
204.07837	2.1
211.07594	0.9
214.06252	3.2
215.07114	2.2
217.08620	1.0
217.12314	1.0
220.41216	0.8
225.63335	0.7
227.10852	1.1
227.16443	1.1
229.08664	2.6
229.18019	14.0
230.09395	1.5
230.18401	1.0
232.07294	3.6
233.08047	1.2
236.07616	0.8
247.09821	1.4
248.10559	2.6
253.04539	1.1
255.13779	1.1
283.13275	1.1
291.08472	1.2
299.16263	0.7
301.14389	2.7
309.14944	0.8
311.12918	2.0
327.16074	5.1
328.16327	0.8
329.13913	1.9
345.13202	1.0
345.16934	5.8
359.28027	26.6
360.28305	2.3
371.14975	7.3
389.16074	12.7
390.16360	0.8
419.26691	1.0
440.14679	1.7
440.64902	1.5
461.31177	1.9
479.32001	1.1
518.34149	0.8
521.33295	100.0
522.33630	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	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.8
59.01246	100.0
60.01578	2.7
71.01256	7.9
71.57915	1.6
73.02818	3.8
78.95775	2.0
79.95599	2.8
83.01229	1.4
85.02814	4.0
87.00748	6.6
87.24619	1.5
89.02324	2.4
96.95888	38.8
98.95443	2.8
100.56088	1.4
101.02308	5.2
109.02784	1.9
134.44621	1.5
149.00781	2.4
177.01840	2.0
191.05539	5.2
211.13394	2.2
213.14914	1.8
217.12317	1.6
345.17056	3.4
357.19226	2.3
359.27960	2.9
375.20303	10.7
396.16165	2.4
417.21228	11.0
439.64758	1.8
440.14774	4.7
440.65100	1.7
459.38058	1.5
461.31207	2.3
477.23254	14.9
478.23846	2.0
479.31876	1.6
503.17123	1.8
521.17639	2.1
521.25128	3.2
521.33502	4.6
538.10150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
59.01253	56.7
69.35753	23.8
71.01254	29.6
72.60767	2.2
72.99157	3.3
73.02823	9.6
78.95766	2.4
79.95618	4.4
83.01245	6.1
84.69871	2.8
85.02813	11.3
87.00745	12.2
88.00285	3.7
89.02310	10.6
91.06532	2.4
93.03350	6.4
94.61407	2.5
95.04847	2.7
96.95889	100.0
98.95466	7.5
99.00733	3.3
101.02332	16.9
113.02332	6.0
119.03367	3.7
121.02831	3.7
135.04431	7.8
137.02327	8.9
153.01831	3.3
179.03413	3.7
179.07002	3.3
191.05510	12.6
197.08131	3.7
267.06653	3.6
269.08252	2.8
281.08270	5.3
283.09708	5.1
295.09760	2.5
314.11551	5.5
326.11624	7.4
327.12225	6.6
327.16177	2.7
329.13907	7.1
337.03876	4.4
341.13867	7.8
355.04901	4.2
355.11691	4.3
429.54059	3.5
439.15753	6.5
441.16937	4.5
473.14371	4.1
476.16815	5.8
477.23181	14.0
488.17041	5.2
491.19199	48.2
492.19571	4.2
503.19208	60.4
504.19550	6.2
521.10864	5.2
521.26648	15.3
546.80914	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	521.1334
Annotation	Centaurein
Peak:m/z	Relative Intensity
59.01253	20.9
66.91766	0.8
70.84901	0.7
70.85244	1.9
71.01254	14.5
72.99191	2.2
73.02808	2.0
75.00750	1.4
79.95604	4.7
80.96398	1.8
83.01270	1.2
83.77701	0.8
84.54572	0.8
85.02831	2.2
87.00756	1.1
89.02312	11.3
95.01204	0.9
96.95892	81.9
101.02330	8.9
101.83600	0.8
113.02331	4.6
119.03427	3.9
124.93713	0.9
136.90111	0.8
137.12016	0.7
138.96965	1.6
166.22069	0.8
241.00189	4.3
332.68008	1.0
521.13342	100.0
521.25934	2.5
522.13531	11.8
545.55310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39035	0.4
55.01743	0.5
56.35010	0.5
56.76777	0.4
57.03314	1.1
59.01249	17.2
61.98683	1.1
66.40884	0.5
69.03299	0.6
70.56241	1.0
70.56618	0.9
71.01248	12.6
72.99191	1.3
73.02818	2.8
79.95613	2.8
80.96381	1.1
83.01255	1.7
85.02828	4.2
87.00752	1.6
89.02312	10.4
95.01258	0.9
96.95885	57.7
97.02860	0.4
99.00760	1.7
101.01679	1.0
101.02311	9.8
107.04920	0.8
113.02325	4.4
119.03375	3.1
119.08551	2.8
121.06461	0.4
123.08072	1.0
125.02340	0.5
128.03387	0.5
131.03401	1.0
135.04332	0.6
138.96938	0.7
147.08047	14.8
148.08435	0.4
149.00757	0.5
149.04425	1.4
157.10172	0.9
159.02917	0.5
161.04495	0.7
165.09033	0.6
191.05560	0.7
215.10832	0.7
233.11754	0.7
241.00182	3.2
265.05518	0.4
269.08224	0.5
281.08334	0.9
283.09998	0.6
314.11554	0.7
326.11578	1.2
327.12607	0.5
327.16107	0.6
329.13928	0.9
341.13962	1.1
377.15952	0.6
473.14563	0.6
476.16885	0.9
488.17017	1.2
491.19211	10.2
492.19666	0.9
503.19174	10.1
504.19571	0.8
520.25153	1.1
521.13354	100.0
521.21960	7.2
522.13690	10.4
522.21979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
58.00458	1.7
59.01248	29.8
70.01715	0.5
70.82504	0.9
70.82828	0.5
71.01249	19.0
72.99165	3.9
73.02818	3.5
75.00725	1.0
76.49747	0.5
79.05378	0.6
79.95596	5.4
80.96378	1.8
83.01262	1.5
85.02820	5.8
87.00742	10.5
89.02312	12.5
95.01249	1.6
95.95087	1.0
96.95885	81.2
97.06458	2.1
98.95476	1.3
99.00780	1.3
101.02324	12.1
103.00251	1.5
107.04888	2.4
109.02818	0.7
112.98685	2.0
113.02313	8.2
119.03384	4.0
119.08554	1.4
123.08047	0.5
135.04375	0.6
138.96996	1.5
143.03394	0.7
145.06458	0.6
145.17015	0.5
146.03709	0.5
147.04358	0.8
147.08061	7.0
149.00812	6.4
153.01874	1.1
157.10175	0.9
159.04463	0.6
161.04469	2.1
161.05807	0.7
170.42844	0.6
173.05968	1.5
175.03940	1.0
175.07535	2.0
177.05486	1.0
179.05574	0.9
186.06804	1.3
187.07579	1.5
189.05510	0.8
195.05000	1.1
199.11211	0.8
201.05527	1.0
201.09045	0.7
203.07054	1.8
204.07845	1.9
211.07550	1.0
214.06284	2.3
215.07018	1.2
215.10626	1.5
229.08623	2.1
230.09386	1.7
232.07373	3.5
233.11757	1.0
235.13181	0.7
241.00203	4.2
243.19569	0.8
244.11003	0.6
247.09721	2.6
248.10425	2.3
261.11322	0.8
265.05695	0.9
271.13245	0.7
271.29666	0.6
273.14972	1.4
273.18182	0.6
283.13416	0.6
299.84460	0.5
301.14423	1.7
317.60916	0.6
327.12439	0.8
327.15884	3.6
329.13925	1.3
341.06918	1.4
343.08426	3.2
345.16934	5.3
359.27957	3.0
371.14874	2.3
389.15982	10.5
461.31052	2.2
503.48001	0.6
521.13275	100.0
521.33447	10.2
522.13708	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	521.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.4
69.49231	2.7
71.01246	0.9
71.70539	0.3
78.95774	13.1
79.95605	2.5
96.00771	0.6
96.95887	100.0
96.96812	21.1
97.95830	0.4
98.02348	22.8
113.02388	0.3
162.95320	0.3
169.88776	0.3
217.12277	1.1
252.87480	0.3
256.13571	0.4
259.02170	0.8
261.11249	1.8
275.91458	0.3
300.12357	1.9
342.13004	0.4
359.16113	0.6
501.01266	0.3
521.13446	1.2
521.25934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66949	0.4
59.01254	6.4
60.01606	0.5
62.96283	0.6
70.16525	1.7
78.95778	65.2
96.96840	5.7
122.98438	0.5
150.97928	1.3
152.99492	100.0
153.99843	1.5
171.00566	2.8
219.30583	0.4
245.59686	0.4
277.21634	0.5
279.23273	3.2
280.23734	1.0
433.23602	40.5
434.23868	3.8
440.50775	0.4
520.26825	5.1
521.27081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99825	0.2
68.91261	0.2
69.29246	2.4
72.46464	0.2
73.73895	0.2
78.95773	42.4
82.62328	0.2
96.96838	6.1
109.43896	0.2
120.66363	0.2
126.23032	0.2
150.97946	1.6
152.99480	100.0
153.99826	1.3
171.00545	3.5
279.23242	1.2
318.23755	0.3
433.23563	22.0
434.23865	2.7
520.26801	3.5
521.27112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41149	0.7
54.62329	0.7
56.21984	0.7
58.02850	13.2
58.95430	0.7
59.01233	2.3
66.03358	2.2
70.12940	1.5
70.13334	1.8
71.01245	1.0
72.00798	1.1
74.02345	30.2
81.04455	1.9
82.02840	4.4
84.04435	1.5
86.02348	13.4
86.05986	2.4
87.00752	0.8
87.05505	4.7
96.04432	1.3
96.26346	0.8
96.95872	5.4
97.03951	3.0
99.05519	27.4
99.06178	1.3
101.07112	5.1
102.05485	6.1
107.06035	1.5
109.03939	5.3
109.07585	2.2
111.05511	3.2
112.03925	3.1
113.03431	0.8
123.05560	2.4
124.03940	1.1
125.03464	4.0
126.04176	1.3
126.71906	0.9
127.05042	5.6
128.03429	66.7
129.01822	0.7
129.03798	1.4
135.05537	10.1
137.07042	1.7
139.05006	0.9
141.06602	3.9
143.04527	94.5
144.04892	1.5
145.06097	4.4
146.04498	10.8
153.06587	7.4
155.08133	1.2
166.09818	4.5
167.04530	3.5
167.08168	7.1
170.03255	2.6
171.03995	2.5
179.04546	24.9
181.06012	2.1
183.13792	1.6
184.10905	0.9
185.05583	2.9
192.07735	3.3
195.13762	1.7
197.05603	3.4
210.08783	23.4
211.09032	1.3
213.14865	9.3
225.11273	1.1
225.77214	0.8
228.09866	1.3
236.06778	1.0
237.05864	0.7
247.13686	11.9
254.07794	49.0
255.08093	2.9
272.08865	74.9
273.09100	3.6
308.07480	0.9
334.16843	1.1
345.16910	1.2
389.16031	1.4
391.19058	11.0
392.19977	0.8
456.16684	0.8
502.22290	14.4
503.22711	1.9
520.23291	100.0
521.23486	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	520.1252
Annotation	LL-D 42067beta
Peak:m/z	Relative Intensity
50.19483	0.3
59.01239	1.8
71.56825	0.5
77.27259	0.4
78.95775	0.9
96.95868	0.5
100.03915	0.8
102.05503	0.5
112.26881	0.3
112.98711	0.8
121.02827	1.5
133.02820	0.6
135.04416	0.9
149.00819	0.7
152.99500	0.6
161.02344	0.9
179.03375	0.6
192.95790	0.5
215.94449	0.5
248.97133	0.6
274.98834	0.5
293.21225	0.7
293.81857	0.4
303.01819	0.9
303.05298	0.7
305.03369	2.8
347.04416	1.6
357.05954	0.6
421.00818	1.0
437.03967	4.7
438.03952	0.6
469.03165	0.7
505.10004	2.1
506.10687	0.5
520.12543	100.0
521.12640	21.9
521.27423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57288	0.2
57.03325	0.4
58.00466	0.2
58.36769	0.2
59.01248	100.0
60.01588	0.9
62.26405	0.2
71.01251	6.7
71.11523	0.5
72.99202	0.2
73.02818	1.8
75.60202	0.2
81.94592	0.2
83.01275	0.8
85.02818	2.6
87.00760	0.7
87.04410	0.4
89.02312	3.0
95.01281	0.6
95.93495	0.2
96.95882	6.4
99.00774	0.8
101.02319	4.3
101.05400	0.2
101.05942	1.0
102.14825	0.2
104.69683	0.2
111.00819	0.2
112.98749	0.2
113.02327	3.1
115.01745	0.2
119.03391	1.0
125.02336	0.4
129.01759	0.2
131.03459	0.3
143.03407	0.4
147.04428	0.2
147.63724	0.2
161.04448	1.8
162.94713	0.2
176.33781	0.2
179.05560	0.6
191.05568	0.2
255.19728	0.6
269.12186	0.3
292.95496	0.2
297.20807	0.5
329.23456	0.2
351.21912	0.3
381.23096	0.3
399.23843	9.6
400.24298	0.8
417.24893	10.2
418.25381	0.8
459.25952	2.3
475.25732	0.5
503.54327	0.2
519.19220	0.4
519.33032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47486	0.4
57.03331	0.7
57.56465	0.4
59.01251	100.0
60.01588	0.9
70.75198	0.5
70.75564	1.4
71.01253	9.1
72.99194	1.1
73.02831	3.5
75.00742	0.7
78.95786	1.0
83.01274	1.6
85.02822	3.8
87.00748	2.2
87.04411	0.9
89.02312	3.6
95.01277	1.0
96.95911	2.7
97.02836	0.5
99.00762	1.1
100.38905	0.4
101.02320	6.5
106.93538	0.5
112.98712	1.5
113.02322	4.9
119.03416	1.6
119.13490	0.5
125.02347	0.7
131.03450	0.5
133.02823	0.6
135.04425	0.9
143.03429	1.0
147.04781	0.4
149.00841	1.3
157.81747	0.5
161.04442	2.2
179.05580	0.6
187.07634	0.7
195.13936	0.5
199.07472	0.6
245.08342	0.7
309.83578	0.5
315.25543	0.6
329.19629	0.6
357.26611	0.8
387.14667	1.2
394.77289	0.5
399.23853	22.0
400.24454	2.5
400.28903	0.5
417.24948	10.8
418.25284	0.8
459.26077	2.1
477.30676	0.6
519.23816	0.9
519.31744	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22982	1.2
56.29937	1.3
59.01250	100.0
60.01579	1.6
69.03315	2.7
71.01250	22.3
72.99190	2.9
73.02814	16.7
73.16579	1.6
75.00752	1.5
83.01265	5.9
85.02823	7.8
87.00742	6.9
89.02337	9.1
93.03350	1.4
96.95865	9.2
97.06448	1.7
99.00776	1.6
99.04410	3.2
101.02319	17.5
101.06023	1.8
113.02341	6.7
119.03416	3.6
125.02323	1.9
133.02872	5.4
135.04428	2.3
149.04449	2.8
151.07559	2.1
153.15154	1.3
161.04488	4.3
177.01820	3.3
179.05547	1.9
191.05582	2.0
228.59012	1.5
253.14433	27.3
254.14757	2.4
284.41135	1.5
297.13315	2.3
298.49170	1.4
387.20200	1.7
475.21957	14.8
476.21432	2.7
519.11847	3.8
519.25262	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	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13861	0.5
55.00534	0.5
57.03311	1.0
59.01250	100.0
59.80552	0.7
60.01594	0.9
61.98701	1.5
67.67006	0.6
71.01257	4.6
71.58634	0.7
73.02830	1.8
85.02829	2.2
87.00722	0.7
87.04356	0.7
89.02354	1.4
96.95875	1.4
99.00755	0.7
101.02328	2.6
102.98452	1.1
106.98386	0.6
113.02329	4.4
149.00824	1.2
150.49806	0.6
161.04517	1.8
184.79645	0.7
184.83911	0.6
238.64546	0.6
255.33426	0.6
288.72339	0.7
387.14536	0.9
399.23874	12.7
400.24283	1.1
417.25021	3.0
459.25601	3.0
495.59610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31109	0.4
55.01735	0.4
58.00460	0.5
59.01250	23.8
71.01251	20.9
71.01656	0.6
71.34418	0.9
72.99178	1.3
73.02820	3.2
79.95601	5.4
83.01255	1.1
85.02815	4.9
85.99987	0.5
87.00745	4.8
89.02316	18.2
95.01248	1.5
96.95886	100.0
98.95468	1.8
99.00762	2.1
101.01685	0.9
101.02324	12.5
103.00253	2.7
113.02330	10.5
119.03388	7.8
125.02315	0.5
127.41391	0.4
129.13637	0.4
131.03386	4.3
139.28345	0.4
141.19162	0.4
143.03380	1.5
149.04445	0.7
155.08488	0.5
159.02867	1.1
161.04457	6.2
171.08073	1.4
173.09636	9.1
174.09944	0.7
179.05553	1.4
197.09650	32.8
198.10011	1.9
215.10689	3.2
221.06657	0.6
241.08672	1.0
259.01245	1.3
265.05637	40.5
266.05997	2.0
343.27939	0.5
385.80365	0.4
421.14990	1.8
439.16064	63.3
440.16440	8.0
499.96960	0.5
519.11743	14.3
519.18762	0.5
520.12122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1175
Annotation	circumpyrene
Peak:m/z	Relative Intensity
55.01741	0.4
57.03329	0.6
58.00470	0.4
59.01250	12.3
69.57040	0.9
69.57455	1.5
71.01250	7.0
72.99182	0.8
73.02813	0.8
73.21343	0.4
75.00761	0.5
79.95612	3.2
80.96381	1.8
83.01244	1.1
85.02802	2.3
87.00746	1.1
89.02314	4.3
95.01258	0.6
96.95885	77.0
98.20525	0.7
101.02318	5.2
113.02329	3.3
119.00061	0.4
119.03397	1.6
119.08549	1.5
120.05690	1.1
121.06480	9.9
122.06775	0.6
123.04420	0.4
131.03458	0.5
135.08043	6.0
138.96974	0.8
148.05222	1.2
155.08577	0.3
161.04495	0.6
163.07558	5.2
171.08066	0.9
173.09665	2.2
197.09615	1.1
198.10052	0.5
215.10788	1.7
241.00204	2.7
265.05624	1.1
295.06265	0.6
311.66632	0.4
339.05316	2.3
439.16174	0.5
519.11725	100.0
520.12018	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	519.1149
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01250	11.7
67.85338	1.1
70.01858	6.3
71.01252	6.5
72.99148	1.3
73.02799	2.4
79.95606	2.4
80.34645	1.3
83.01259	1.7
84.31971	1.1
85.02776	1.0
87.00736	2.0
87.37593	1.3
89.02302	4.1
95.04917	1.5
96.95889	9.6
99.00749	1.6
101.02326	4.1
102.98479	3.2
105.03336	3.3
109.02831	3.6
113.02334	1.4
121.02821	2.2
123.04418	1.4
133.02858	23.6
134.03581	4.9
135.04424	51.1
137.02322	3.2
139.03893	1.9
147.04402	3.0
149.00826	1.3
149.02286	1.2
151.00325	6.4
151.03847	1.7
155.04950	1.9
159.04411	1.6
161.02344	1.4
161.04494	1.1
171.04509	1.6
177.01851	12.8
178.02579	5.3
179.03415	33.7
180.03697	1.3
183.04514	3.5
191.05547	4.0
199.03986	8.0
215.03436	2.8
227.03412	6.9
242.02106	3.4
243.02985	29.0
244.03369	1.8
255.02977	17.0
256.03452	1.7
257.04590	3.2
269.08133	5.2
270.01688	2.4
271.02463	45.7
272.02972	5.6
285.04001	5.3
286.04626	1.6
297.09702	1.8
299.01974	77.8
300.02676	32.7
301.03024	1.9
313.03842	1.8
313.07123	7.2
314.04327	58.5
315.05090	100.0
316.05466	9.2
357.06308	1.7
391.53580	1.1
395.96832	1.3
475.12439	10.7
519.11450	52.8
520.11719	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	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91485	0.4
59.01247	1.6
59.64721	0.4
61.82330	0.4
63.77272	0.5
63.98213	0.5
78.95773	45.9
85.03272	0.6
86.51003	0.4
88.27978	0.4
96.96833	7.1
98.20544	1.2
99.92454	0.9
113.24728	0.7
118.11682	0.4
123.84670	0.5
136.69299	0.5
150.97949	2.4
152.99484	100.0
153.99808	1.4
171.00552	4.8
277.21765	0.8
357.69556	0.5
431.21967	21.1
432.22318	2.3
518.25183	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.58902	0.6
59.01233	1.8
82.17777	0.6
91.01772	0.6
96.95884	4.4
107.01283	1.7
117.57947	0.6
128.03358	1.0
135.04416	1.3
143.04605	1.8
145.02866	0.9
151.00284	5.7
155.04916	0.9
159.04398	0.8
163.00252	0.8
165.26768	0.6
171.04443	1.2
183.04480	3.3
185.02394	0.8
187.03819	1.1
199.03905	9.9
201.01862	1.7
203.03403	1.2
211.03941	0.8
215.03468	3.9
226.02554	1.0
227.03447	8.8
229.01428	0.6
229.66670	0.7
242.02150	5.9
243.02946	38.1
244.03261	3.3
255.02968	19.6
256.03412	1.8
257.04526	5.7
270.01648	6.7
271.02454	55.9
272.02933	6.9
272.08997	1.3
285.03983	10.0
286.04785	3.5
287.05481	1.5
299.01944	71.0
300.02655	32.1
301.03058	2.3
314.04288	63.7
315.05057	100.0
316.05405	8.5
357.05939	1.3
519.11407	58.8
520.11816	9.4
520.23175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25982	0.2
57.63503	0.1
59.00947	0.3
59.01248	5.0
60.01587	0.3
62.96272	0.2
64.99824	0.1
70.33662	0.3
70.34080	0.5
71.01245	0.2
71.04041	0.2
78.95772	46.8
96.96835	5.6
121.25573	0.2
127.54411	0.2
146.30444	0.2
150.97919	1.8
152.99483	100.0
153.99776	1.4
171.00555	3.9
202.69077	0.2
217.00264	0.2
240.02621	0.2
277.21680	0.7
366.96100	0.2
390.98993	0.3
431.22006	19.8
432.22321	2.4
454.90994	0.2
495.41550	0.2
518.25275	2.8
519.14935	0.4
519.26550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69044	0.6
51.82809	0.7
59.01250	100.0
60.01582	0.9
61.69827	0.7
61.98691	0.7
71.01239	6.2
78.95777	1.0
83.01273	0.7
89.02315	11.1
99.92496	0.9
100.80425	0.7
101.02318	3.9
108.28689	0.9
113.02316	4.0
119.03393	5.4
131.03372	0.7
142.01595	0.6
143.03401	1.5
149.04472	0.7
161.04550	2.0
174.99255	0.9
179.05573	3.8
183.13754	3.1
195.13849	2.8
213.14896	28.6
214.15265	1.4
217.00317	1.9
227.16592	0.7
374.99298	0.8
504.10251	0.7
506.62119	0.7
517.31659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10573	0.2
55.01762	0.2
58.00457	0.2
59.01251	5.1
60.84287	0.2
70.87859	0.2
70.88195	0.3
71.00886	0.3
71.01256	3.9
72.25700	0.1
72.99172	0.2
73.02811	0.7
78.95780	0.7
83.01259	0.5
85.02819	1.1
87.00736	0.4
89.02320	2.7
91.03863	0.2
95.01254	0.2
99.00777	0.2
99.92397	0.2
101.02328	3.8
113.02331	2.0
115.03912	0.2
119.03401	0.9
131.03383	0.2
133.04924	0.2
143.03418	0.2
145.02791	0.2
152.99487	0.8
155.18956	0.1
157.04979	0.2
161.04465	1.6
172.75003	0.1
179.05544	0.3
201.48582	0.2
235.06152	0.2
235.08148	1.1
253.09258	13.1
254.09554	0.6
267.23343	0.2
281.24847	100.0
282.25201	10.0
318.55688	0.2
435.24866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03321	2.3
57.03561	0.4
58.00469	2.2
59.01247	65.4
64.66285	0.4
65.26240	0.3
69.03314	2.7
70.40561	1.6
71.01249	65.1
71.35222	0.4
72.01583	0.8
72.99169	4.1
73.02814	18.9
73.11910	0.4
74.95309	0.4
75.00727	1.2
78.46164	0.4
81.03314	1.6
83.01269	2.5
83.01691	0.4
83.04896	1.2
85.02821	7.3
87.00742	2.4
88.03923	0.5
89.02312	100.0
90.02638	1.2
95.01262	1.4
96.95898	3.1
97.02828	4.1
98.20466	0.6
99.00752	36.7
99.04358	0.8
100.01079	0.6
101.02316	33.8
102.02658	0.7
102.98457	1.0
107.04916	0.6
109.02834	0.5
111.04411	0.6
113.02328	10.0
115.03908	2.3
117.01817	0.4
119.03402	4.9
121.06463	0.5
123.08048	1.0
125.02328	12.1
127.03906	0.7
131.03384	17.7
131.04373	1.0
135.08040	0.5
137.09639	0.6
138.03035	0.6
138.82098	0.4
143.03343	1.6
147.08002	1.4
149.04454	48.9
150.04764	1.0
150.56551	0.4
153.05452	2.7
161.04482	2.9
163.11185	7.2
164.32733	0.4
167.06966	0.4
179.05504	0.5
187.11133	1.7
188.76907	0.4
189.62323	0.4
190.04971	0.5
191.05530	15.1
192.05827	0.8
205.12271	18.8
206.12563	1.3
221.06549	1.3
223.13210	0.6
225.05757	1.7
233.06593	8.1
251.07625	3.2
293.08780	4.7
517.22961	6.5
518.23022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
58.00465	1.7
59.01249	33.5
69.03326	2.0
71.01254	36.1
71.13695	1.6
72.01569	1.1
72.99169	1.9
73.02814	11.3
73.98891	0.8
74.47530	0.7
75.00729	1.4
79.95590	2.4
81.03310	1.2
83.01274	1.2
83.71210	0.8
85.02817	6.0
87.00751	2.3
89.02319	43.2
95.01256	1.0
96.95889	100.0
97.02831	2.8
99.00756	16.8
101.02325	16.8
113.02337	6.4
115.03896	1.4
119.03368	1.6
123.08058	0.9
125.02327	9.5
125.05943	0.9
131.03419	7.9
131.04324	1.5
131.07019	1.1
135.04391	1.7
136.05206	1.1
138.06772	2.9
139.07527	1.9
143.03391	1.6
149.04475	15.1
151.07549	3.2
152.08340	12.3
153.09126	10.8
155.05515	0.8
161.04448	2.8
163.11200	2.7
170.23683	0.9
191.05521	7.6
205.12279	21.4
223.13283	1.6
233.06610	8.6
284.30817	0.9
293.08737	7.4
294.08685	0.9
311.05527	1.1
313.02661	0.9
329.81372	0.9
385.18625	2.0
432.15787	0.8
480.20453	0.8
517.22894	28.2
518.23328	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.7
59.01253	84.6
60.01601	1.2
61.98697	1.7
64.49207	1.0
70.25272	4.7
70.55739	1.3
71.01250	7.2
72.99177	6.1
73.02816	6.7
83.04908	2.1
85.02809	1.5
87.00768	3.8
88.98717	2.3
89.02319	2.7
91.00234	10.0
96.95889	21.6
101.02335	4.7
104.90947	1.2
109.02836	1.7
113.02334	4.3
119.03410	2.3
125.02332	1.6
158.00578	1.1
165.12750	9.3
179.03369	1.1
181.12340	1.3
183.72130	1.1
191.05486	5.1
207.13828	3.8
209.11734	13.7
217.09685	1.1
224.06836	1.3
225.14880	4.1
233.11783	1.3
240.21481	1.1
251.12897	2.7
263.12924	5.8
268.03943	1.4
269.04568	4.5
269.13928	100.0
270.14249	5.2
277.14343	1.8
278.90771	1.0
295.11893	2.7
295.80032	1.1
300.87741	1.0
305.14099	2.1
311.15125	3.7
314.96841	1.1
337.03668	1.4
355.04517	1.4
376.28040	1.3
397.22156	2.1
415.23041	1.6
457.24530	1.6
473.19934	5.5
517.30420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75418	1.3
59.01249	37.1
70.56571	2.3
70.56942	4.5
71.01241	9.4
72.99165	2.7
73.02822	4.7
80.25819	1.1
81.03347	1.7
83.04900	3.3
85.02824	3.0
87.00766	6.2
89.02325	10.4
96.95891	10.3
98.20459	1.7
99.00760	3.2
101.02329	5.9
103.00246	11.6
109.02897	1.4
113.02321	3.2
115.56157	1.4
119.03375	1.9
119.08533	1.7
123.04383	1.6
125.02371	1.5
125.05944	4.9
127.00374	1.3
128.03438	1.4
128.05090	1.4
129.33968	1.2
131.03395	3.2
135.04350	2.7
143.31407	1.2
149.04411	6.6
165.09186	1.7
171.19046	1.4
173.09679	1.7
175.11169	2.5
187.11189	2.4
191.05507	7.5
191.10674	1.4
203.10733	1.6
205.12361	1.4
221.11815	2.5
247.09627	1.9
251.12886	7.7
295.11850	100.0
296.12137	6.4
307.13953	1.7
309.13422	4.8
337.12939	8.3
363.28372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	50.2
71.01247	4.5
71.35408	1.6
73.02808	5.4
75.76118	0.9
79.16756	1.0
83.01266	1.2
87.00671	1.2
89.02293	1.7
97.06471	0.9
99.04366	2.1
101.02336	3.7
113.02297	1.6
127.79511	1.2
165.12727	3.8
178.59926	1.1
207.13821	16.3
209.11781	8.0
224.56967	1.1
225.14772	1.5
251.12823	5.9
269.13916	100.0
270.14246	6.0
277.44104	1.1
293.14008	2.0
331.04187	1.1
339.01273	1.2
473.20343	5.0
517.30878	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70935	0.1
59.01245	0.5
69.65124	0.8
70.02875	0.1
71.01227	0.2
79.95608	1.8
89.02356	0.3
96.95893	100.0
97.95814	0.3
98.20509	0.3
101.02342	0.1
103.06055	0.1
103.65579	0.1
123.33084	0.1
131.03360	0.1
149.04483	0.1
191.05589	0.3
193.74327	0.1
333.83661	0.1
448.22845	0.1
517.09955	0.1
519.98657	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03321	4.0
59.01247	78.8
61.98698	15.3
69.03326	1.2
70.58630	0.8
71.01250	13.5
71.58708	1.3
72.99175	1.5
73.02824	9.0
76.77620	0.8
80.58313	0.9
83.01253	3.7
83.04871	1.2
85.02827	3.9
87.00758	3.5
89.02317	5.0
90.63351	0.9
95.01280	2.2
95.04880	1.0
96.95884	7.9
99.00749	1.8
99.04402	2.2
101.02322	12.0
109.06535	1.2
112.98666	1.5
113.02328	5.6
119.03451	1.2
135.04442	1.2
145.01501	1.0
149.00856	1.8
149.04462	1.1
161.04416	2.4
165.12791	7.5
179.03433	1.2
189.12769	1.9
191.05559	1.4
207.13890	8.1
209.11761	11.6
211.33530	0.9
225.14915	3.4
230.78313	1.0
251.12807	5.7
269.13913	100.0
270.14291	5.5
311.15048	2.8
320.45163	0.9
397.22214	2.3
406.63092	1.1
415.23395	1.4
457.24329	1.7
473.19479	5.3
475.29242	1.4
517.30835	5.3
532.34802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03333	0.1
58.00476	0.2
59.01250	4.9
68.99680	0.1
69.03302	0.1
71.01253	4.5
71.35620	0.1
71.35970	0.1
72.99183	0.2
73.02815	0.9
78.95770	1.1
83.01257	0.5
83.04892	0.1
85.02814	0.9
87.00764	0.5
89.02314	3.0
91.03879	0.2
95.01265	0.3
97.02840	0.2
99.00777	0.3
101.02324	4.1
102.02698	0.1
113.02328	1.9
115.03895	0.1
119.03398	1.0
125.02340	0.2
131.03467	0.1
133.04915	0.4
143.03386	0.4
152.99486	1.4
157.04860	0.1
161.04465	1.5
162.50935	0.1
179.05522	0.7
191.05609	0.1
201.89171	0.1
210.70648	0.1
235.08186	1.0
249.22321	0.1
253.09261	14.4
254.09521	0.5
261.22137	0.3
279.23276	100.0
280.23618	8.5
433.23880	0.5
442.10303	0.1
447.25085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3014
Annotation	Adynerin
Peak:m/z	Relative Intensity
53.33662	0.4
59.01241	1.1
59.53627	0.4
61.37446	0.4
70.10439	0.8
70.10851	1.6
71.01258	0.4
72.99184	1.6
89.91939	0.4
93.74027	0.4
96.43323	0.4
103.78963	0.4
121.02807	0.5
125.90271	0.4
191.98677	0.4
441.30099	4.3
442.30362	0.9
467.28088	3.7
485.29187	3.5
515.30139	100.0
516.30499	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03326	0.2
58.00474	0.2
59.01247	4.5
69.03309	0.1
69.45825	0.1
71.01250	4.2
72.99180	0.3
73.02818	0.7
78.95772	0.3
83.01265	0.4
85.02815	0.9
87.00751	0.6
89.02312	2.8
91.03901	0.2
92.85307	0.1
95.01274	0.2
97.02831	0.2
98.19818	0.2
99.00745	0.2
101.02319	3.7
102.02694	0.1
103.03878	0.1
113.02331	1.5
115.03889	0.2
117.35674	0.1
119.03379	0.8
125.02324	0.2
126.75784	0.1
131.03394	0.1
133.04955	0.2
143.03426	0.4
149.04430	0.1
152.99478	0.6
161.04449	1.4
179.05507	0.5
199.87764	0.1
235.08205	1.0
253.09256	13.0
254.09520	0.5
261.22211	0.3
279.23267	100.0
280.23608	8.2
433.23752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43335	1.8
57.03331	2.1
59.01244	6.0
70.29276	6.8
73.03663	1.6
78.95785	12.0
101.55155	1.7
107.04944	3.7
109.02856	2.2
110.38228	1.9
123.04385	3.5
129.71590	2.0
131.49034	1.7
135.04295	2.1
149.06027	15.3
151.03900	14.5
152.99484	25.2
159.04390	5.5
161.05994	2.9
167.07086	2.4
213.20029	1.7
219.69882	1.7
249.13031	1.8
273.22266	7.3
277.12320	3.2
287.23807	2.6
295.78232	2.0
365.28448	4.6
373.29114	2.2
375.26801	5.1
377.24741	2.5
389.28625	3.8
391.26239	2.6
393.27945	8.2
395.25974	2.9
401.24841	2.8
402.25555	2.5
407.29456	4.3
417.27933	100.0
418.28378	13.1
420.26602	4.1
425.30746	2.3
426.30917	2.1
433.23416	4.4
435.28995	94.0
436.29315	16.2
453.30115	23.6
454.30392	3.8
469.29718	1.9
472.07599	1.9
497.29031	10.4
498.28769	2.2
515.30090	48.2
515.36523	1.7
516.30536	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	515.2855
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
51.07666	0.9
51.37704	0.8
55.01753	5.2
57.03314	5.8
58.00454	1.8
59.01249	41.4
61.75135	0.9
69.03333	3.4
71.01251	100.0
72.01582	1.7
72.99172	3.7
73.02814	36.5
74.03178	1.1
75.00741	3.8
78.30626	0.8
78.95767	1.5
81.03318	1.1
83.01258	11.4
84.02034	0.9
85.02816	40.9
87.00739	5.8
88.73509	0.9
89.02312	27.6
95.01247	6.7
96.95882	2.3
97.02809	5.0
99.00751	21.9
99.04368	1.6
101.02320	53.7
111.00743	0.9
113.02321	32.3
115.03900	2.9
119.03374	4.1
125.02336	6.8
129.01851	1.8
131.03380	5.7
143.03403	4.3
149.04440	6.7
159.02876	8.7
161.04457	51.5
162.04875	1.6
179.05412	1.3
191.05495	3.2
205.03484	3.4
212.63721	1.0
229.67097	1.4
233.06584	6.1
293.08832	2.0
350.94092	1.2
383.24356	31.1
384.24585	2.6
441.29932	2.7
447.13315	2.0
479.16364	1.5
485.28891	1.8
515.28705	96.8
516.29095	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	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92341	1.7
59.01249	18.7
69.68011	1.5
71.01257	5.2
71.57697	1.6
71.58145	1.9
71.58495	1.9
72.99174	1.8
73.43372	1.5
74.87581	1.9
75.00764	1.9
88.94647	1.8
89.02342	3.6
96.02851	1.8
96.91994	1.7
96.95888	15.3
103.00245	100.0
106.62945	1.8
107.55502	1.7
113.02352	2.0
138.18149	1.8
146.43922	1.6
156.29083	1.9
167.69405	1.7
171.08174	3.2
189.09166	5.3
195.08034	1.8
197.06049	2.1
198.06853	3.0
213.09166	14.1
319.95062	2.1
437.14490	8.3
455.15530	36.7
456.15649	2.8
515.07861	3.0
535.76270	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	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	27.8
61.60766	0.4
70.89276	1.0
71.01252	10.1
73.02791	0.6
83.01291	0.6
84.01572	0.5
85.02823	3.7
87.00745	100.0
88.01096	1.6
89.02315	10.6
91.40564	0.5
95.01276	0.7
95.24538	0.4
99.00739	0.6
101.02316	4.9
113.02322	4.4
119.03385	4.6
133.06490	1.0
141.01826	0.5
143.03380	1.0
145.06473	1.2
157.06482	1.1
159.08051	2.5
161.04466	1.3
161.05862	1.2
169.06483	1.1
171.04527	0.7
171.08041	1.8
172.05200	5.3
173.05698	0.6
179.05487	4.7
185.06009	1.7
187.07556	46.1
188.07904	3.2
191.05553	1.5
201.09161	0.6
205.08595	7.1
211.07558	0.7
213.09146	7.7
229.08688	2.4
231.10239	2.0
239.07169	0.7
257.08057	4.1
349.12878	2.2
357.70175	0.5
367.14001	2.2
393.15570	0.5
419.13361	1.1
437.14349	3.6
455.15567	27.5
456.15732	2.8
532.15137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59274	6.0
59.01254	49.5
60.17901	5.8
71.01248	15.3
72.99186	31.5
75.00745	15.7
81.03271	6.2
85.02798	8.0
88.98686	6.8
89.02323	24.9
90.01847	8.3
91.00233	100.0
92.78111	6.1
98.19749	15.4
101.02312	7.7
111.04397	19.8
125.06022	8.0
140.29716	5.5
151.25703	6.5
177.05466	9.3
187.11186	9.5
203.14380	6.2
217.12274	26.9
261.11258	15.3
267.12018	8.8
293.10306	19.2
318.13361	18.5
478.49103	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	515.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19080	0.3
59.01254	7.0
70.01773	0.3
71.01259	1.3
71.14090	0.6
71.14426	0.6
72.97413	1.1
73.02821	0.3
75.17307	0.3
79.95581	0.4
83.01254	0.7
83.02387	0.6
83.04922	0.8
85.02836	0.3
86.89211	0.3
89.02319	0.7
90.98470	100.0
91.98297	0.3
91.98801	0.9
93.03322	0.6
96.95265	0.7
96.95889	11.4
98.95449	0.4
99.00780	0.5
101.00549	0.5
101.02322	0.8
111.04397	4.5
113.02291	0.4
119.04921	1.4
135.04416	0.7
151.00298	2.1
151.07509	0.4
163.07596	1.2
173.13283	3.7
175.07571	1.1
179.03375	0.5
189.09140	0.4
191.05557	1.4
199.11191	0.8
217.12288	16.2
218.12622	1.2
247.11476	0.3
261.11301	29.3
262.11618	1.8
271.06131	4.3
272.06628	0.4
291.10562	1.3
293.04459	0.4
353.10632	59.8
354.10928	5.1
515.08698	0.4
515.15894	6.0
516.16077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.119
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.12792	0.3
52.92612	0.2
57.03310	0.3
57.46704	0.2
59.01242	1.7
71.01253	0.8
71.38049	0.5
73.02798	0.4
83.04894	0.6
85.02813	6.2
87.00748	1.3
93.03326	3.1
96.95879	1.1
100.58570	0.2
107.04922	1.4
107.35963	0.2
108.02059	0.3
108.97451	0.2
109.02850	0.8
111.04391	2.3
111.66683	0.3
117.03345	0.3
125.97675	0.3
126.88374	0.2
127.03885	1.9
133.02824	1.5
134.03636	3.0
135.04408	53.6
136.04773	1.9
137.02332	0.4
155.03407	1.7
161.02357	5.1
161.31062	0.2
171.03027	0.4
173.04462	4.6
178.13972	0.2
179.03413	49.3
180.03743	1.9
188.50261	0.3
191.05528	100.0
192.05858	3.1
208.06757	0.2
210.72488	0.2
212.95818	0.2
279.40756	0.3
353.08740	49.1
354.09085	4.1
433.06885	0.3
526.06378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29291	0.1
59.01244	2.1
60.01591	0.2
61.01679	0.3
61.98700	100.0
69.03329	0.2
69.53075	1.1
71.01268	0.3
80.23643	0.1
81.03355	0.1
83.04890	0.4
84.05248	0.3
93.28738	0.1
98.09573	0.1
110.22692	0.1
113.69580	0.1
114.92424	0.1
127.24140	0.1
140.74066	0.1
163.03888	0.2
226.16357	0.2
227.16484	0.1
452.33118	0.7
453.33444	1.2
454.33740	3.2
514.33282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81105	0.4
59.01252	6.2
61.98702	0.4
64.58632	0.3
69.03336	0.4
69.42463	3.3
71.01263	1.3
78.95816	0.4
79.95633	0.8
81.03349	0.5
83.04898	0.8
85.02824	6.5
87.00726	2.6
90.47982	0.3
90.98507	0.6
93.03333	4.4
96.95901	4.9
98.19724	0.4
99.04368	0.3
101.02357	0.5
101.82059	0.3
107.04922	1.1
109.02862	1.3
111.04409	2.2
113.02313	0.5
119.03439	0.4
123.35394	0.3
127.03866	2.1
128.03442	0.8
133.02843	2.6
134.03661	4.3
135.04420	57.2
136.04762	2.0
137.02333	0.5
149.02290	0.4
155.03339	1.7
157.63304	0.3
161.02359	6.4
161.04453	0.4
171.02914	0.4
173.04483	8.0
173.05975	0.5
174.04800	0.5
179.03424	50.7
180.03807	2.1
191.05544	100.0
192.05859	2.4
246.95682	0.4
250.87166	0.5
323.05753	0.4
325.11224	0.6
335.07709	0.9
339.05588	0.4
353.08759	64.2
354.02307	0.4
354.09134	5.0
515.11542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03330	0.1
58.00462	0.3
59.01251	6.7
60.01595	0.1
61.27070	0.1
68.99671	0.1
69.03331	0.1
70.46016	0.2
71.01253	4.8
72.99187	0.3
73.02821	1.1
73.21642	0.1
78.95775	1.3
78.96207	0.1
81.03333	0.1
83.01255	0.5
83.04893	0.2
85.02828	1.2
87.00738	0.5
89.02317	3.6
91.03901	0.2
95.01273	0.4
96.96860	0.2
97.02831	0.2
97.06484	0.1
98.19753	0.1
99.00751	0.3
99.04380	0.1
101.02322	4.6
101.34467	0.1
102.02668	0.1
103.03869	0.1
113.02331	2.2
113.05960	0.1
114.02708	0.1
115.03891	0.1
119.03400	1.1
125.02359	0.2
127.07539	0.2
131.03404	0.1
133.04964	0.3
141.09099	0.1
143.03410	0.4
145.04851	0.1
149.04427	0.1
152.99490	2.7
157.04964	0.1
161.04475	1.7
179.05521	0.5
182.13066	0.1
186.81194	0.1
205.19505	0.1
233.22644	0.5
235.08186	1.1
253.09265	16.4
254.09595	0.8
259.20648	0.3
260.21280	0.1
275.20142	0.4
277.21716	100.0
278.22055	9.8
324.22726	0.1
327.29971	0.1
431.21997	0.5
432.22086	0.1
462.81860	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03322	0.2
58.00478	0.3
59.01249	7.2
66.22759	0.1
68.99676	0.1
69.03341	0.1
71.01253	5.1
71.22032	0.2
72.99184	0.4
73.02817	1.2
78.95764	0.4
81.03331	0.1
83.01252	0.7
83.04899	0.2
85.02818	1.3
87.00754	0.7
89.02313	4.0
91.03904	0.2
94.08644	0.1
95.01272	0.4
97.02815	0.2
97.06499	0.1
99.00774	0.3
101.02323	4.9
102.02667	0.1
103.03883	0.2
113.02327	2.2
113.05966	0.1
115.03882	0.1
119.03373	1.0
125.02334	0.3
127.07568	0.3
131.03418	0.2
133.04948	0.3
138.41838	0.1
143.03416	0.4
149.04483	0.1
152.99467	0.6
157.04977	0.2
161.04463	1.9
179.05544	0.6
233.22710	0.3
235.08191	1.1
253.09264	16.5
254.09641	0.7
259.20651	0.3
263.33121	0.1
275.20108	0.3
277.21710	100.0
278.22055	9.4
287.92145	0.1
347.95944	0.1
431.22107	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
58.00463	0.9
59.01250	100.0
60.01581	1.0
61.98702	1.3
69.03342	2.2
70.33862	1.1
70.34290	0.8
71.01254	14.9
72.99188	1.1
73.02820	5.7
75.00754	0.5
78.95731	0.4
79.73038	0.4
83.01258	2.3
85.02818	3.2
87.00764	0.6
89.02319	10.3
95.01269	1.1
96.95889	3.6
98.19862	0.4
98.95496	0.5
99.00752	0.9
101.02319	9.0
112.98666	0.7
113.02333	8.9
113.03063	0.7
116.97160	1.4
119.03390	3.2
119.49773	0.4
126.62720	0.4
129.01874	0.7
131.03430	1.0
134.03667	0.4
135.04417	0.7
137.02385	0.4
143.03426	1.6
151.07555	0.6
161.04411	2.0
179.05571	1.2
185.00874	1.4
201.11244	4.8
236.78305	0.4
239.37254	0.5
291.10492	0.6
356.37674	0.4
453.24997	1.6
471.26306	0.5
513.26996	2.3
514.28033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2859
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.24402	0.7
52.25805	0.6
56.57249	0.5
59.01250	4.2
61.98684	0.6
71.58332	1.2
72.99185	15.7
78.95801	1.0
85.02828	0.6
96.95914	1.0
102.81568	0.5
172.00136	0.6
217.00153	0.9
256.03958	0.6
264.46341	0.6
274.07538	0.6
291.19659	2.5
377.28799	0.6
391.26285	0.7
393.27966	1.1
406.28690	0.6
439.27991	1.0
465.26480	0.7
483.27216	1.2
496.37436	0.7
513.28571	100.0
514.28918	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	513.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89162	1.1
59.01249	89.0
65.53496	1.2
71.01250	4.1
71.15611	3.0
76.12531	1.1
85.02812	2.6
89.80782	1.0
96.95874	1.3
101.02295	2.8
113.02307	6.1
116.38094	1.0
116.63151	1.0
121.10111	8.5
125.09604	4.7
161.04422	1.8
165.56306	1.2
165.74847	1.2
185.11833	9.6
197.11662	1.8
209.11795	1.6
247.08086	1.1
273.18607	1.5
291.19647	100.0
292.19971	9.5
305.21243	2.2
320.19977	1.3
333.20645	4.6
334.20990	2.0
449.15225	1.3
534.00934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65789	0.6
50.84130	0.7
53.62253	0.6
55.56290	0.6
58.00475	0.8
59.01251	73.5
66.73328	0.6
68.25888	0.6
71.01257	7.5
71.54168	1.1
72.99187	0.7
73.02827	0.7
78.95774	1.5
83.01226	0.6
85.02836	3.5
89.02325	4.3
90.73189	0.7
95.01295	1.5
95.64870	0.6
96.95884	2.9
101.02305	5.2
113.02323	6.3
119.03379	3.0
133.02785	0.8
138.16206	0.7
160.74290	0.6
161.04459	2.5
165.12753	16.5
166.13185	0.7
191.05522	1.3
213.17000	0.7
219.17686	0.6
247.20610	7.8
248.20921	1.3
273.18588	5.3
291.19656	100.0
292.20041	8.0
303.78775	0.7
305.21243	2.3
333.20731	5.2
345.20581	0.8
363.21802	1.1
367.56693	0.8
486.59137	0.8
513.28284	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	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99931	0.3
59.01245	3.9
63.96101	0.8
64.64339	0.2
64.96879	0.3
69.03322	0.7
71.01250	6.6
71.57374	0.4
72.01630	0.3
72.99172	0.4
73.02811	1.6
78.98460	4.8
79.90020	0.3
79.95605	8.1
80.96386	58.0
81.03314	0.6
83.01283	0.3
85.02798	2.6
87.00751	2.2
89.02338	0.3
94.97956	14.2
95.01280	0.3
96.95864	1.4
97.02825	1.6
99.00752	0.7
99.04416	0.3
101.02316	2.6
101.39485	0.3
106.97965	3.1
113.02367	0.6
122.97464	2.9
125.02331	2.8
127.03877	0.6
134.97469	4.0
136.99046	1.3
148.90901	1.0
148.99036	5.1
152.98538	5.0
164.98535	10.1
167.00121	0.3
168.97983	0.3
169.10141	0.3
179.55168	0.3
183.13782	0.5
185.00873	0.3
195.13756	0.4
206.99617	2.3
213.14943	2.1
225.00682	15.3
226.00996	0.4
250.94171	1.4
299.04437	2.4
366.60867	0.3
453.20880	0.4
513.20062	100.0
514.20416	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	513.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.01246	10.3
60.39120	0.3
61.98675	0.4
63.96096	1.0
64.70472	0.3
69.03315	0.9
70.74181	0.4
70.74532	0.4
71.01249	7.9
72.99157	0.4
73.02798	2.4
78.53810	0.3
78.98462	5.2
79.95597	8.2
80.96384	59.1
81.03333	0.6
83.01255	0.7
85.02816	2.8
87.00748	3.1
89.02309	0.9
90.80620	0.2
94.97954	14.4
95.01263	0.5
96.95887	1.9
97.02824	1.7
99.00746	1.1
99.04394	0.3
101.02319	3.3
106.97968	3.0
109.02859	0.3
113.02306	1.2
119.03387	0.5
119.53870	0.3
122.97461	5.6
125.02341	3.5
127.03894	0.9
129.01836	0.6
134.78687	0.2
134.97464	3.3
135.04437	0.3
136.99010	1.4
137.02339	0.7
143.03319	0.3
146.97482	0.3
146.99048	0.2
148.97916	0.5
148.99045	5.6
149.04443	0.2
152.98529	7.5
161.04451	0.5
164.98535	12.0
167.00072	0.4
182.99622	2.6
183.13829	0.8
185.00871	0.3
195.13824	0.7
206.99620	3.2
213.14871	2.5
225.00677	18.6
226.01071	0.6
229.24005	0.3
243.01762	1.8
249.14940	0.3
299.04337	3.1
432.87552	0.3
453.14359	0.3
513.20062	100.0
514.20380	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	513.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49347	3.6
58.85735	3.4
59.01253	100.0
61.98679	3.6
71.01247	26.8
71.58845	4.1
71.71301	3.2
73.02818	23.6
78.95786	4.4
79.95614	6.2
83.01258	9.7
83.04927	9.8
85.02827	9.0
87.00764	5.6
89.02310	8.7
93.03326	3.6
96.31180	2.7
96.95896	74.5
96.96855	4.2
98.95435	3.8
101.02327	18.8
102.98479	4.5
111.04443	3.4
113.02319	6.0
119.03341	4.2
119.04974	3.1
125.02316	4.0
129.01837	17.2
133.02812	7.6
134.03644	7.8
135.04407	8.5
137.02264	3.0
145.02878	3.4
161.02327	5.6
163.03960	6.1
173.04486	6.7
191.05566	13.2
193.04968	8.1
200.07976	3.3
449.35934	3.7
469.20831	49.9
470.21158	7.0
513.08923	3.9
523.78644	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	513.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.5
61.01686	0.5
63.96105	1.1
69.03327	0.7
69.47813	3.9
71.01247	11.2
72.99167	1.0
73.02824	4.0
73.35632	0.4
78.95786	0.6
78.98459	5.1
79.95161	0.8
79.95603	8.6
80.96386	54.9
81.03297	0.8
83.01246	1.1
85.02838	3.1
86.02355	1.8
87.00748	20.0
88.00294	4.3
89.02319	2.1
93.03320	0.5
94.97953	13.7
95.01251	0.6
96.95886	7.3
97.02833	1.3
98.19865	1.1
99.00740	1.3
99.04376	0.6
101.02316	5.9
106.97957	2.7
113.02319	2.3
116.97134	2.1
119.03380	0.6
122.97466	5.0
125.02303	3.5
127.03914	1.0
128.03404	0.5
128.60236	0.5
128.97139	0.6
129.01810	1.3
130.98686	0.8
134.97443	4.0
135.04422	0.7
136.99030	1.4
137.02296	0.9
148.99055	5.4
152.98524	7.0
164.98537	11.1
167.03363	0.8
182.99562	2.5
183.13818	1.0
201.80510	0.5
203.63716	0.6
206.99590	2.9
213.14880	2.9
218.09326	0.6
219.13771	0.7
225.00679	19.3
226.01025	0.6
233.11835	0.7
234.08955	0.7
235.09486	0.7
243.01749	2.1
249.11349	0.7
263.12894	1.9
265.14319	0.6
299.04263	3.6
309.13382	2.0
513.20056	100.0
514.20441	10.6
514.27637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3039
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
62.65406	1.5
69.47875	10.3
69.48284	3.9
78.95770	20.8
96.96877	1.8
152.99480	33.6
206.87395	1.6
227.03261	4.8
233.36099	1.7
245.04395	2.0
283.26401	100.0
284.26648	7.8
511.30389	56.8
512.30615	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49739	0.1
53.88122	0.1
54.86293	0.1
55.01751	0.5
57.03309	0.3
58.00461	0.4
59.01247	12.3
60.01581	0.1
63.67791	0.1
69.03284	0.2
69.89156	0.5
71.01249	7.0
72.99183	0.3
73.02815	1.2
81.03326	0.2
83.01247	0.8
83.04893	0.7
85.02824	1.5
85.99976	0.1
87.00741	0.8
87.47897	0.1
89.02312	5.2
90.02689	0.1
91.03868	0.2
95.01249	0.5
97.02816	0.1
99.00755	0.4
99.04343	0.1
101.02315	6.5
102.02620	0.1
103.03893	0.2
107.08562	0.1
109.06451	0.1
113.02325	3.1
115.03899	0.1
119.03387	1.6
121.10155	0.1
125.02334	0.3
131.03381	0.2
133.04938	0.3
135.11656	0.1
143.03375	0.6
144.39447	0.1
157.05013	0.2
161.04465	2.3
177.08954	0.1
177.16423	1.0
179.05516	0.9
187.05969	0.1
191.10829	0.1
203.17885	0.2
212.13271	0.1
231.21120	4.4
232.21432	0.4
235.08156	1.0
253.09244	22.1
254.09613	0.9
255.17867	0.1
257.19064	0.8
273.18466	0.1
275.20123	100.0
276.20465	8.4
320.72501	0.1
499.82568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25343	0.3
52.58390	0.4
53.02234	0.4
53.35670	0.4
55.01786	0.4
59.01252	12.6
71.01250	7.2
71.57423	0.6
72.99187	0.5
73.02818	1.0
78.95786	0.5
80.32434	0.4
83.04855	0.7
85.02828	1.3
87.00755	1.1
89.02318	4.6
95.01283	0.4
97.08380	0.4
99.00768	0.6
101.02326	6.1
113.02343	2.6
119.03381	1.8
133.04970	0.4
143.03368	0.4
143.21335	0.4
144.44797	0.4
161.04475	2.1
162.83890	0.9
177.16414	1.0
179.05472	0.5
231.21117	3.9
232.39645	0.5
235.08224	0.9
253.09282	21.9
254.09650	1.0
257.19141	0.6
272.91714	0.5
275.20151	100.0
276.20490	9.0
454.67490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
61.98708	0.2
69.03308	0.1
71.01253	0.5
73.02811	0.3
74.53494	0.1
81.03326	0.2
85.02848	0.1
86.05103	0.1
93.03339	0.3
95.01234	0.2
95.04884	0.8
96.95888	0.9
101.02318	0.2
107.04917	1.6
107.93044	0.1
108.02084	0.2
108.05234	0.6
113.02345	0.2
121.02879	0.2
122.03650	0.5
123.04406	65.1
124.04739	2.3
139.31149	0.1
151.03929	0.5
152.04346	0.2
153.05475	100.0
154.05811	3.8
183.13873	0.2
195.13754	0.1
213.14880	1.8
214.15292	1.0
215.15543	0.5
271.16904	0.1
297.09872	0.3
307.19061	0.2
315.10724	0.3
343.24838	0.3
511.25717	1.6
512.26166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91278	0.2
59.01250	9.2
61.98698	0.3
69.70332	0.5
69.70744	1.2
71.01257	0.9
78.95758	0.4
85.02817	0.4
89.02319	0.4
93.03352	0.3
96.95886	0.7
101.02326	0.8
102.98462	0.4
113.02298	0.3
139.03961	0.3
153.01816	0.6
165.12672	0.3
183.13817	14.3
184.14165	0.6
193.26665	0.3
193.71391	0.3
195.13831	13.3
196.14148	0.7
205.83968	0.2
209.42009	0.3
211.13356	0.3
213.14897	100.0
214.15228	5.3
349.20175	41.0
350.20563	3.5
370.92566	0.3
406.98801	0.3
436.15204	0.3
451.27026	0.4
460.89883	0.3
511.25180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.4
58.00474	0.6
59.01248	100.0
60.01589	1.2
61.83204	0.4
61.98704	1.4
69.53801	0.6
69.54201	2.6
70.68233	0.3
71.01250	9.3
72.99190	0.6
73.02826	2.0
78.95774	2.7
79.95585	0.4
83.01273	1.2
83.04906	1.3
85.02821	3.0
87.00748	1.6
89.02309	6.2
95.01264	0.7
96.95879	4.6
98.20506	0.7
99.00771	0.7
101.02312	5.7
109.02831	3.2
110.03178	0.5
111.03275	0.4
112.98705	0.6
113.02322	4.3
119.03363	3.0
123.04365	0.4
125.09611	0.4
135.04391	0.8
137.02321	2.6
143.03429	0.8
153.01833	4.0
154.02199	1.6
155.02394	0.9
161.04498	1.7
162.99109	0.4
165.09119	0.4
179.05515	0.7
217.89084	0.4
231.13858	1.9
247.13393	1.4
271.17130	1.8
289.18024	2.1
307.19247	0.8
323.09326	0.4
413.03418	0.4
451.24493	1.8
511.25610	1.5
524.80231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03321	0.5
57.12807	0.3
58.00475	0.7
59.01247	100.0
60.01590	1.0
60.06324	0.3
69.03333	0.4
69.37826	2.5
71.01250	22.8
72.99187	1.0
73.02816	13.9
73.03240	0.5
73.81609	0.3
76.59860	0.3
78.95797	0.5
79.95599	0.6
80.16552	0.3
83.01253	4.5
85.02820	5.1
87.00772	0.8
89.02312	11.4
95.01254	1.5
96.95883	8.1
97.02879	0.5
99.00772	1.1
101.02318	15.5
113.02325	12.8
113.34814	0.3
119.03394	4.0
119.04894	0.3
123.04281	0.3
125.02357	0.5
131.03372	1.5
135.04425	1.4
142.21332	0.3
143.03462	1.6
149.04500	1.2
155.03436	0.7
160.30716	0.3
161.04448	4.0
168.63268	0.3
179.03482	1.1
179.05533	1.5
188.56911	0.3
191.05504	0.5
212.73199	0.3
221.06502	0.4
253.08835	0.3
261.11331	0.4
356.56094	0.3
451.23373	6.5
452.23785	1.2
469.23953	2.0
511.18961	0.2
511.25464	6.5
512.26080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69945	0.4
59.01258	2.2
64.97829	0.3
68.10551	0.4
69.03351	0.6
71.01260	1.6
73.02832	0.4
78.95828	0.5
81.03337	1.4
83.01245	0.4
83.97948	0.3
85.02811	2.8
87.04420	0.5
88.23090	0.3
89.02307	0.4
90.96960	0.4
93.03343	1.5
95.01266	2.5
96.95889	3.1
98.20556	0.8
101.02318	0.9
108.02055	100.0
109.02850	35.0
110.03209	0.9
113.02380	0.8
121.02844	1.3
123.00779	1.8
123.04375	0.9
127.56536	0.4
133.02805	1.0
135.00749	0.5
135.04420	0.8
137.02351	1.2
151.03918	1.9
152.01060	69.0
153.01859	18.8
154.02167	0.9
163.03899	0.9
165.01897	0.9
179.03435	0.5
183.13837	1.0
195.13806	0.7
213.14896	5.8
313.33649	0.4
315.07248	0.7
511.21817	94.2
512.22156	12.6
525.54370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
65.03866	0.1
70.49427	0.4
81.03343	0.6
91.01765	0.5
92.80208	0.1
93.07030	0.1
96.95886	0.2
104.70325	0.1
105.46217	0.1
108.02052	2.4
109.02834	74.6
110.03160	2.0
117.18319	0.1
135.47679	0.1
153.01837	100.0
154.02180	3.1
185.89732	0.1
201.11263	0.2
226.08783	0.1
274.25717	0.1
348.72342	0.2
511.22202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09075	0.2
51.44826	0.2
57.03304	0.5
59.01247	100.0
60.01583	1.0
69.03336	0.4
70.24901	1.2
71.01248	7.5
72.99189	0.5
73.02819	4.1
78.95762	0.2
83.00790	0.3
83.01247	1.4
85.02819	1.8
87.00768	0.8
89.02307	3.4
95.01263	0.4
96.95885	3.9
98.95464	0.3
99.00783	0.4
101.02313	4.6
113.02312	4.5
119.03389	1.2
122.05991	0.2
131.03412	0.5
135.04405	0.5
143.03380	0.7
148.04024	0.2
161.04474	1.2
179.03432	0.5
179.05435	0.5
194.10294	0.3
451.23944	1.3
469.24466	0.4
494.09732	0.3
511.18774	0.6
511.25604	2.5
512.19263	0.3
532.63635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
57.74809	0.3
59.01254	4.8
69.40269	0.4
70.85169	0.4
71.01250	1.1
71.59065	0.6
72.83656	0.4
73.02820	0.6
76.56694	0.3
83.04910	0.5
86.02348	5.8
87.00752	100.0
88.00278	15.0
88.01112	1.4
88.03903	0.8
89.02322	0.9
93.03350	0.5
95.21561	0.4
96.95891	0.7
101.02329	1.7
109.02786	0.4
111.04427	2.8
111.05087	0.6
111.30240	0.4
113.02336	0.9
163.07614	0.8
173.13260	1.0
175.07561	0.6
217.12302	6.9
218.12683	0.7
261.11301	11.3
261.59360	0.4
262.11737	1.1
262.33765	0.5
263.09454	0.5
298.14935	0.4
303.12399	1.2
306.13492	0.6
311.11356	1.0
349.13663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.8
63.82893	2.4
69.03298	2.5
70.98246	7.9
71.01261	10.4
73.02818	5.7
78.95773	22.6
79.95570	5.8
81.03350	2.4
83.04904	3.2
85.02806	3.4
85.57314	2.4
87.00754	3.2
89.02350	4.3
93.03343	8.7
95.04910	7.6
96.10538	2.5
96.95887	100.0
96.96858	7.0
98.95449	6.3
99.00750	3.6
100.37067	2.6
101.02318	7.5
105.03336	18.8
107.08562	3.5
109.02831	7.0
111.04439	3.6
113.02332	4.3
121.02835	3.0
123.04408	4.6
131.01286	5.2
133.02846	93.7
135.04416	8.7
137.02339	5.3
140.66969	2.6
149.02348	7.4
153.01862	4.2
165.05464	37.4
173.09648	7.7
175.11169	13.1
177.01852	30.9
179.03435	8.8
191.05518	6.7
191.10706	11.5
201.09158	4.5
203.51527	2.4
208.87541	2.5
219.10207	52.8
261.11340	2.8
263.09229	92.5
264.09604	9.8
299.03098	3.1
305.10223	4.6
337.03799	6.0
345.47452	2.4
349.05569	4.2
349.12796	4.2
355.84232	2.6
356.11465	2.4
425.14545	6.6
438.01849	2.8
451.33060	3.3
467.15448	12.4
476.91757	2.5
511.15149	8.3
511.23810	2.4
521.46881	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	510.2835
Annotation	Cytochalasin Ppho
Peak:m/z	Relative Intensity
50.32004	0.3
59.01247	0.8
70.23701	1.1
71.01244	0.6
75.72865	0.3
78.85911	0.3
78.95772	100.0
85.02780	0.3
86.01695	0.2
93.03351	0.7
94.08366	0.2
96.95925	1.3
96.96835	6.9
98.20542	0.3
99.06071	0.3
140.01089	0.8
152.99480	17.9
159.04459	0.3
171.00539	18.6
172.00937	0.4
173.04471	0.7
191.05490	0.4
202.21378	0.3
214.04865	0.3
214.54077	0.2
436.24561	1.9
510.28308	62.7
511.28607	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71990	0.7
59.01252	0.9
59.69438	0.7
62.03056	0.6
78.95773	20.0
96.96854	1.7
101.25194	0.6
134.98447	0.9
135.38286	0.6
136.80840	0.6
150.97858	0.8
152.99487	32.0
169.31239	0.7
169.71397	0.6
171.00581	2.0
197.22594	0.7
207.98814	0.8
227.03275	4.8
245.04277	4.7
281.24844	100.0
282.25153	10.0
283.26303	1.0
284.26971	0.9
313.23831	1.0
330.67297	0.7
391.65463	0.8
417.24100	1.3
509.28769	52.9
510.29077	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90179	0.6
59.01257	3.8
61.98707	7.2
64.42651	0.5
65.33707	0.5
66.11958	0.6
69.03322	0.6
71.57841	0.7
73.02811	0.7
84.69486	0.5
85.02863	0.7
87.00735	1.0
95.68423	0.6
96.95892	10.9
101.02309	0.9
105.37598	0.8
107.01244	0.7
128.03452	1.1
133.02856	2.0
135.04369	1.0
151.00255	2.5
162.88322	0.6
171.07837	0.7
175.03912	1.1
177.01820	0.7
199.03961	0.9
217.04984	1.2
241.05089	0.7
256.03793	1.9
283.02390	0.7
284.03250	36.8
285.04022	86.7
286.04370	5.1
292.03122	0.6
355.05026	1.0
395.98004	0.6
447.09299	100.0
448.09702	10.1
503.72507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2753
Annotation	16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene
Peak:m/z	Relative Intensity
57.01715	1.0
59.01249	100.0
61.86168	1.0
69.62594	8.8
71.01250	11.2
72.99211	1.4
73.02823	5.1
83.01221	1.5
85.02817	5.4
87.00778	1.5
89.02334	1.4
96.95873	1.2
98.20518	2.3
99.00732	1.4
101.02318	10.1
104.32821	1.1
106.88949	1.1
110.93168	1.1
113.02354	4.3
137.02283	1.3
161.04483	9.8
202.92424	1.1
225.01199	1.2
251.95947	1.3
351.88312	1.2
423.27478	25.8
424.27655	2.8
449.25485	3.4
467.26227	7.6
468.27667	1.7
509.27527	33.2
509.33813	1.2
510.27957	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	509.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01575	1.0
66.94923	0.1
71.01249	1.0
71.57911	0.2
73.02837	0.4
75.00730	0.1
75.26231	0.1
77.77707	0.1
78.95784	0.2
81.16283	0.1
83.01275	0.1
85.02842	0.5
87.00816	0.2
87.26214	0.1
89.02326	0.6
93.03318	0.2
96.95906	0.7
98.19786	0.1
101.02316	0.7
111.04394	0.2
113.02321	0.4
119.03384	0.2
119.04942	0.5
121.06509	0.2
125.02460	0.1
131.03387	0.1
145.10249	0.1
161.04483	0.5
163.03949	0.3
183.13887	0.6
191.05539	0.9
195.13806	0.6
200.02060	0.1
201.11177	0.1
201.12834	0.4
213.14888	5.7
214.15266	0.4
245.11800	1.0
253.09230	1.5
310.48535	0.1
329.17633	0.8
347.18582	1.3
389.19791	0.2
406.39655	0.1
509.23969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24961	0.4
59.01248	3.4
67.38454	0.4
68.77438	0.4
69.03333	0.4
70.25825	1.3
70.26197	0.7
71.01250	9.7
71.02464	0.4
73.02822	2.0
81.03333	0.5
83.01272	0.8
85.02827	2.5
87.00763	0.6
93.03334	0.5
95.01263	0.7
96.95877	0.6
97.02812	0.7
99.00770	0.7
101.02316	3.1
102.95256	0.4
106.04125	1.1
107.04906	94.2
108.02054	0.6
108.05215	2.9
113.02317	3.9
121.02795	0.4
123.04412	1.4
123.05291	0.3
125.02321	0.6
143.03383	0.5
151.03909	33.3
152.04259	1.6
159.03049	0.4
161.04445	4.0
183.13809	10.0
184.14175	0.6
184.20985	0.5
185.52753	0.4
186.77933	0.4
195.12038	0.6
195.13820	9.0
209.15439	0.6
213.14897	100.0
214.15207	5.9
219.13809	0.5
227.16457	1.3
229.66583	0.4
235.20056	0.3
237.14833	1.4
243.80679	0.4
253.03836	0.6
255.16028	1.3
297.16910	0.6
309.17209	0.5
344.90356	0.5
509.35712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2391
Annotation	Pachyclavulide A
Peak:m/z	Relative Intensity
55.01752	2.5
55.64185	0.6
57.03307	1.7
58.00458	1.6
59.01249	100.0
60.01583	1.9
61.98694	1.2
69.03320	1.3
69.32954	3.0
69.33374	3.6
71.01250	29.5
72.99184	2.1
73.02818	12.5
77.34021	0.6
78.05634	0.7
81.03291	0.7
83.01253	5.9
85.02819	12.4
85.99964	0.8
87.00761	3.0
89.02312	12.1
89.02809	0.7
93.03410	0.6
95.01267	2.8
96.95872	5.5
97.02837	1.4
97.06459	0.8
98.20638	1.2
98.59140	0.7
98.95461	4.3
99.00764	2.7
100.95931	1.1
101.02319	20.0
102.02675	0.8
111.00779	1.1
113.02337	10.3
119.03364	3.5
123.08079	1.1
125.02380	2.2
131.03345	1.1
134.07283	1.9
135.04390	0.9
135.08092	0.9
137.48177	0.7
143.03395	1.4
144.00952	0.7
161.04556	2.2
162.53662	0.8
177.85258	0.8
179.03441	0.8
179.05438	1.6
183.13850	2.0
185.08128	1.3
195.13890	1.8
213.14890	19.1
220.92574	0.8
253.09341	2.9
261.18527	16.5
262.18896	1.7
291.30136	0.8
405.22818	13.0
406.23245	1.1
423.23813	35.6
424.24152	4.0
449.22006	1.7
465.25482	0.9
491.22903	1.3
509.14651	11.0
509.24176	62.6
510.16257	1.2
510.24109	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	509.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92368	0.2
59.01248	100.0
60.01593	0.7
69.32636	1.8
71.01252	0.7
73.02825	0.4
85.02805	0.4
89.02309	0.3
96.95873	0.4
98.20547	0.4
101.02326	0.5
111.04375	0.2
116.91267	0.2
119.04945	0.6
126.04810	0.2
148.38359	0.2
161.04491	0.3
163.03897	0.2
187.85655	0.2
191.05533	0.5
198.44159	0.2
201.12877	0.3
213.14896	2.3
245.11797	0.7
253.09349	0.5
301.07632	0.2
326.36960	0.2
329.07123	0.2
329.17532	0.3
347.18585	0.5
407.17349	0.2
449.17999	0.2
509.24023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.203
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
53.28870	1.2
59.00993	1.6
59.01250	23.7
61.48135	1.1
61.98697	10.2
69.47829	6.4
69.48241	3.4
71.01253	9.6
73.02802	4.1
74.61494	1.3
80.96383	3.3
81.03304	2.4
83.66874	1.2
85.02817	7.8
87.00732	2.8
89.02302	3.0
90.44048	1.4
93.03336	1.7
95.01249	3.0
96.95871	3.2
97.02808	1.6
99.00741	2.4
101.02336	5.9
108.02045	73.4
109.02840	56.9
110.03152	2.0
113.02300	4.1
113.75452	1.2
123.00737	2.9
123.04357	1.7
125.02320	1.7
135.04369	2.4
135.30605	1.3
137.02283	2.1
141.71800	1.2
146.54855	1.2
149.00793	2.1
151.03868	1.4
152.01054	56.8
153.01836	38.6
154.02219	1.4
159.07813	1.2
161.04465	1.5
179.03391	3.3
181.12270	1.6
211.13374	6.9
212.13742	1.9
273.18390	1.2
379.77176	1.3
413.78436	1.3
434.17007	2.0
439.03113	1.6
509.20093	100.0
510.20444	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	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.0
57.03325	4.5
58.00459	1.5
59.01247	36.1
61.98702	0.6
69.03306	0.5
69.31598	4.0
70.08441	0.5
71.01250	58.1
72.01583	0.9
72.99170	3.2
73.02813	17.5
73.32670	0.5
75.00731	1.1
78.95784	1.6
81.03343	0.5
83.01250	9.2
84.02040	0.7
85.02818	27.5
85.99973	0.5
86.03161	0.9
87.00748	3.5
87.04383	3.1
89.02308	15.5
93.03294	0.6
95.01250	5.4
96.95867	1.0
97.02836	1.5
99.00757	7.9
101.02316	43.9
102.02637	0.7
109.02805	0.5
111.00779	1.2
112.98705	1.4
113.02323	26.2
116.68847	0.4
119.03385	5.2
123.83614	0.4
125.02368	1.2
129.01831	1.2
131.03427	0.7
133.02829	1.5
134.03648	0.7
135.04404	1.1
135.26460	0.5
137.02315	0.9
141.01759	0.6
143.03380	2.8
143.10684	0.9
149.00778	0.7
159.02898	5.9
161.04456	24.0
162.04840	0.5
177.01846	0.7
178.02611	0.8
179.03212	0.7
179.05544	0.8
187.07628	0.8
197.15468	0.9
197.68019	0.4
205.03477	1.0
211.13354	0.6
223.20639	0.6
229.08643	0.5
266.33179	0.5
275.09189	0.8
299.25928	1.8
345.30054	15.6
346.30374	1.4
507.35339	100.0
508.35657	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
63.78736	0.4
64.27060	0.4
65.35360	0.3
67.32288	0.4
69.55106	2.5
74.53268	0.4
78.95775	5.8
98.20543	0.7
103.16730	0.4
126.19675	0.3
152.99500	13.4
171.00545	1.6
227.03247	2.0
245.04280	2.0
261.22446	0.4
273.45386	0.4
279.23291	100.0
280.23627	10.2
284.83032	0.4
507.27292	25.1
508.27618	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	25.3
61.98677	1.5
70.98949	1.1
71.01244	9.3
73.02812	2.5
75.00740	2.3
78.95736	2.3
85.02812	3.4
86.83334	1.3
87.00738	3.5
89.02293	4.8
95.86001	1.2
96.95863	4.8
100.53141	1.1
101.02315	6.4
112.98685	2.3
113.02312	3.1
119.04829	1.9
124.84626	1.3
137.02333	2.1
161.02237	1.4
161.04388	2.0
183.13803	5.3
191.05591	1.5
211.13327	100.0
212.13643	5.3
220.97632	1.1
229.72809	1.3
235.08080	1.7
253.09251	10.7
259.13730	1.4
259.36115	1.3
260.95700	1.3
303.22543	1.3
447.22000	4.3
507.28223	3.2
507.35309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
59.24105	0.7
61.59445	0.6
63.25079	0.6
66.38210	0.5
68.01289	0.6
71.01255	1.8
71.58230	0.9
73.02848	0.9
82.95296	10.0
83.02378	100.0
84.00784	8.9
84.01896	5.4
84.02696	1.4
85.02795	1.0
89.02316	1.1
96.95855	0.8
101.02319	1.6
114.97914	0.6
119.03340	1.0
135.04362	1.1
179.03494	1.2
217.12350	2.2
227.15558	0.7
261.11337	3.1
277.10632	0.8
301.15652	1.1
303.21902	1.1
309.13651	0.9
345.14502	3.3
346.13052	0.9
352.99487	0.7
386.48071	0.7
397.58377	0.7
447.26465	1.0
465.26953	0.9
477.18320	0.7
507.28134	5.2
508.28174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
51.19975	0.7
56.62735	0.6
59.01251	4.7
69.79666	4.6
71.01238	3.7
85.02818	0.9
88.03918	0.8
89.02308	1.4
96.00780	8.5
96.95874	2.4
98.20459	1.1
101.02325	1.8
113.02381	0.8
115.00250	3.1
121.02848	1.4
124.33568	0.7
125.63546	0.7
129.10211	3.1
132.02917	2.8
133.02841	1.0
135.04445	1.5
145.02856	3.0
146.03596	1.4
146.06038	1.1
167.07054	4.0
168.02913	3.1
179.03386	1.0
191.05574	1.1
211.07535	1.0
237.05609	1.1
239.07048	1.3
240.04205	1.1
251.07118	1.6
253.05035	1.1
255.06602	4.1
256.10986	4.5
265.08679	1.1
267.06653	4.5
267.10269	0.9
269.08148	3.0
276.17163	2.6
281.08063	1.1
283.09912	3.9
284.10553	3.9
295.09702	5.5
296.10529	8.7
297.11255	3.2
299.09247	2.0
300.10037	21.9
301.10345	2.2
310.08466	3.6
311.09262	15.0
312.06409	1.5
312.10037	30.0
313.10428	1.6
315.12393	51.3
316.12720	4.8
327.12372	100.0
328.12778	8.2
345.13300	5.8
373.18744	1.0
375.20398	0.9
409.87134	0.8
432.50107	0.8
433.41150	0.7
477.17767	6.2
489.18671	4.2
507.18671	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	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61136	0.1
71.58710	0.1
73.00237	0.1
78.95776	20.1
79.87145	0.1
96.96844	0.4
122.98434	0.2
134.98422	0.1
150.97826	0.1
152.99489	3.0
168.04230	3.0
169.97437	0.1
171.00552	0.1
194.05836	0.2
213.14844	0.1
215.03044	0.1
224.06886	8.5
225.07196	0.3
236.23787	0.1
242.07950	2.0
243.08292	0.1
279.23254	1.3
280.23557	0.7
281.24847	100.0
282.25186	8.8
282.28433	0.2
371.45355	0.1
417.24161	0.1
447.24966	0.1
448.25372	0.1
506.32492	23.2
507.32935	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62171	0.9
57.03320	2.3
59.01249	9.6
68.99681	1.7
71.01254	13.8
71.01622	1.8
71.58558	1.8
72.99180	3.8
73.02856	0.9
74.11471	0.8
75.00742	14.5
76.25034	1.1
78.95774	10.8
85.02833	14.8
87.00753	4.0
89.02330	3.1
95.01250	2.6
99.00762	9.0
103.00243	1.8
110.98409	7.9
113.02333	19.4
114.02664	0.9
115.00242	1.3
117.01823	2.1
119.50828	0.8
129.01830	1.2
129.85028	0.9
167.01050	5.9
175.02379	3.6
185.02002	1.8
213.14818	1.6
231.05061	2.0
247.04434	0.8
249.06120	14.6
255.23260	100.0
256.23560	8.4
267.07162	2.6
272.61078	1.1
279.23291	41.6
280.23627	3.3
423.25143	6.6
447.25131	21.4
448.25528	2.8
483.29312	1.0
487.29230	2.7
505.21515	7.2
505.30182	82.6
506.22058	1.9
506.30475	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	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03328	2.9
57.97801	0.5
59.01248	8.7
61.98697	1.3
65.33206	0.6
67.01746	0.7
68.99682	2.0
69.03331	4.1
70.16143	1.6
70.16540	1.2
71.01254	20.3
72.99183	1.8
73.02824	1.6
75.00748	14.4
78.95780	4.4
83.01257	5.6
84.02052	0.6
85.02825	20.7
87.00758	5.5
87.04414	0.7
89.02302	3.7
91.03883	1.8
95.01262	8.2
98.19919	0.7
99.00761	19.0
101.02349	0.9
103.00287	1.2
110.98467	2.9
111.00755	4.7
113.02336	31.6
127.17159	0.6
129.01830	0.8
131.03381	3.3
139.00252	1.6
152.99429	0.7
157.01309	3.6
167.01100	1.7
185.02109	1.8
205.07106	2.3
208.27783	0.7
223.08151	1.0
231.05064	1.0
249.06128	27.2
250.06450	0.9
255.23277	100.0
256.23645	8.7
267.07260	5.5
269.24811	1.1
279.23288	46.4
280.23700	4.8
281.24930	2.1
337.19113	2.2
447.25238	10.6
448.25668	1.8
505.21432	7.0
505.30197	82.8
506.21829	1.1
506.30515	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.3
70.45240	1.4
71.01230	0.5
78.95772	23.9
80.37193	0.4
96.96825	1.9
98.20559	0.5
114.23212	0.5
125.38579	0.5
141.93188	0.5
150.97923	0.8
152.99486	41.2
153.99837	0.7
171.00537	1.7
227.03206	5.3
245.04193	1.8
275.20105	0.6
277.21704	100.0
278.22055	9.0
279.23242	5.6
280.23593	7.9
376.30151	0.5
398.36984	0.5
413.21002	1.3
505.25684	59.2
506.26065	8.6
519.95483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.5
69.57153	1.2
69.57553	2.5
78.95774	22.6
96.94060	0.5
96.96827	2.0
97.75430	0.5
98.20523	0.7
100.98399	0.5
114.06664	0.5
118.59090	0.6
120.81384	0.6
150.97887	0.7
152.99493	41.7
161.50691	0.6
166.23021	0.8
171.00562	1.9
171.91792	0.5
182.13153	0.5
227.03218	5.5
245.04123	1.0
277.21710	100.0
278.22086	9.0
389.72791	0.6
413.21005	1.6
505.25732	58.0
506.26038	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23672	0.3
53.34288	0.4
56.71593	0.3
57.17760	0.3
57.84883	0.4
59.01246	1.2
63.63413	0.4
69.26496	3.9
71.01263	0.4
78.95776	15.7
91.48203	0.3
96.96848	1.1
136.88141	0.3
150.97931	0.6
152.99496	24.2
171.00522	1.7
175.10553	0.4
227.03180	3.6
233.22803	0.7
245.04327	2.5
252.39226	0.3
269.24680	0.4
275.20105	0.6
277.21722	100.0
278.22064	10.0
505.25726	42.2
506.26089	5.7
520.58710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.03330	2.4
58.00480	1.6
59.01249	73.6
62.76979	1.1
69.43894	8.7
71.01247	24.2
72.99164	2.8
73.02818	7.4
75.00722	1.2
78.95765	1.1
79.95598	3.3
83.01263	3.3
85.02837	8.1
87.00743	3.4
89.02308	15.5
93.03338	2.3
95.01232	1.0
95.95065	1.2
96.95884	44.0
98.52957	1.1
98.95479	2.4
99.00739	2.4
101.02316	17.1
107.01187	1.6
109.02819	4.6
111.00758	1.1
113.02333	10.6
119.03382	6.6
119.04866	1.1
131.03366	1.8
133.02840	1.7
135.04427	2.0
137.05945	1.0
143.03363	1.2
149.00751	1.2
151.00336	1.8
161.02335	2.0
161.04498	1.5
162.03105	1.6
174.03230	1.5
177.01860	1.6
177.05421	1.6
178.02368	1.1
179.05577	1.6
191.05569	8.5
244.93562	1.2
259.84924	1.2
267.06647	7.0
299.09238	3.1
301.13022	1.8
313.10861	1.8
331.11880	3.1
337.04037	1.5
343.08279	1.4
343.21320	1.5
355.04837	1.4
373.18436	1.2
391.04538	5.7
408.87683	1.4
429.12555	1.6
445.24500	4.3
461.05225	7.9
463.25906	1.6
487.25461	3.9
505.13925	6.5
505.26633	100.0
506.26828	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70917	0.7
55.01735	2.2
57.03300	3.1
58.00446	1.4
59.01248	54.1
59.01526	1.8
60.01562	1.1
69.03302	1.7
69.96139	0.9
71.01247	32.6
71.32859	0.7
71.58429	0.7
71.58765	0.7
72.99152	2.8
73.02441	1.1
73.02814	16.8
75.00723	1.2
79.95586	2.0
80.91569	4.3
81.95129	1.2
83.01250	6.3
83.04876	0.8
85.02823	14.2
85.99981	1.0
87.00742	4.6
89.02319	12.6
95.01231	3.4
96.95383	0.9
96.95894	11.2
97.02792	2.0
97.06426	1.4
98.95457	8.1
98.96071	1.1
98.96301	1.0
99.00752	9.1
101.02321	23.4
103.00235	1.0
113.01647	0.7
113.02333	10.8
115.03866	1.3
119.03356	2.7
120.99485	2.1
125.02290	1.9
131.03299	2.5
133.02806	1.6
135.04260	1.0
143.03323	1.4
145.57463	0.8
155.31615	1.0
157.10085	1.8
161.04355	2.5
193.12192	0.9
211.13239	1.7
249.32169	0.9
265.05496	1.3
268.81430	0.8
283.18982	1.8
315.25369	0.9
359.16647	0.8
361.29584	1.1
373.18692	10.5
424.25119	0.8
445.24063	2.3
459.42822	0.8
463.24994	1.6
505.12418	10.1
505.22571	100.0
505.34119	3.0
506.12042	1.1
506.22992	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	505.1387
Annotation	Streptonigrin
Peak:m/z	Relative Intensity
50.32995	0.3
55.01748	0.5
56.00488	0.3
58.00458	0.6
59.01248	18.5
71.01248	10.4
72.99179	0.7
73.02810	1.2
78.63730	0.3
79.95599	2.6
80.96378	1.4
83.01256	1.2
85.02816	2.6
87.00741	1.1
89.02313	7.9
95.01261	0.9
96.95884	59.5
99.00747	0.5
101.02317	7.1
113.02329	4.0
119.03383	2.3
138.96974	1.4
150.96960	0.4
159.11653	0.8
168.33687	0.3
179.05414	0.4
180.97868	0.4
189.12785	0.6
217.12279	1.6
235.13333	1.7
241.00218	2.2
245.11871	0.4
325.07379	1.4
397.18661	1.0
505.13837	100.0
506.14130	12.4
506.25616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
60.99195	0.2
67.69946	0.2
71.55025	0.4
76.31335	0.1
77.03826	0.2
78.95766	1.1
93.03353	0.3
97.06577	0.2
104.05507	0.2
111.77522	0.1
121.02836	100.0
122.03165	3.6
122.06091	0.2
133.83485	0.1
137.48782	0.1
152.99477	1.8
155.23244	0.2
162.83797	0.3
164.83545	0.2
167.44737	0.2
171.00584	0.2
179.04829	0.2
180.05721	0.4
181.06506	3.6
182.06851	0.3
187.37866	0.2
197.06007	2.8
198.06512	0.2
207.04430	1.4
207.08112	0.6
223.03954	0.4
225.05511	2.2
226.05734	0.3
227.03200	0.2
245.04243	0.4
251.07219	0.2
257.09662	0.8
269.08160	0.3
277.21701	10.5
278.21997	0.5
285.09137	0.4
295.05988	0.3
301.08649	0.3
313.07159	5.2
314.07526	0.5
329.08258	0.2
339.96332	0.2
341.10794	0.2
357.06189	0.8
373.10806	0.4
383.07770	1.0
384.07553	0.2
417.09778	9.8
418.10214	1.6
433.09344	0.5
457.38568	0.2
461.12408	0.5
505.04050	0.4
505.11407	7.8
505.25568	2.6
505.31723	0.2
506.11856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14590	0.0
59.01246	0.5
71.01221	0.1
71.29252	0.2
78.95770	7.5
83.04837	0.1
96.96841	0.2
114.97184	0.1
152.99480	2.6
168.04205	1.8
171.00560	0.2
171.11890	0.1
224.06865	1.0
227.03204	0.2
242.07924	2.8
243.08276	0.1
245.04303	0.1
261.22125	0.4
277.21704	5.1
279.23257	100.0
280.23593	9.2
343.31064	0.1
504.30923	6.8
505.25372	3.1
505.31531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97281	0.1
55.01749	0.1
55.98428	0.1
59.01250	0.6
62.96284	0.2
69.40280	0.5
69.40706	0.3
71.99370	0.1
78.95770	22.3
83.04884	0.1
86.51089	0.1
96.96837	0.3
98.19691	0.1
100.36350	0.1
102.55447	0.1
104.97318	0.2
108.61543	0.1
122.98392	0.3
134.98369	0.2
145.15952	0.1
152.99483	2.8
168.04208	3.6
171.00623	0.1
194.05855	0.2
224.06873	9.6
225.07231	0.4
242.07930	2.5
245.04266	0.1
261.22244	0.4
277.21735	1.0
279.23267	100.0
280.23605	9.2
381.38956	0.1
459.52182	0.1
504.30923	23.1
505.25421	0.5
505.31525	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	503.3378
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
56.83124	0.5
57.03325	3.7
59.01247	4.5
61.98709	0.8
68.51917	0.5
71.58207	0.7
74.15879	0.5
75.77436	0.6
78.95756	0.7
87.00696	0.7
96.28493	0.6
96.95910	1.0
100.60891	0.5
102.21471	0.5
121.02824	2.5
174.91512	0.6
210.92778	1.9
213.14963	0.6
228.89059	0.7
401.30371	0.7
421.27396	0.6
445.29666	1.6
459.10693	0.9
477.11795	1.4
485.32886	0.7
503.33774	100.0
504.34171	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.98315	0.3
59.01240	0.9
69.45602	0.4
69.46008	1.9
96.95917	0.4
100.81866	0.3
105.08671	0.3
191.05698	0.3
240.10628	0.3
320.57117	0.3
496.05127	0.3
499.53714	0.4
503.33780	100.0
504.34137	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	503.3377
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03322	3.1
59.01249	1.6
60.70872	0.4
71.01254	1.3
71.57662	0.5
78.95778	1.2
86.81882	0.4
89.02331	1.2
89.49289	0.3
101.02341	0.5
113.02322	0.5
152.99496	0.6
168.74132	0.4
200.15247	0.4
277.21756	4.5
278.22095	0.6
279.23193	2.2
357.31815	1.0
383.30048	0.6
401.30499	1.3
423.32538	0.7
441.33789	1.2
445.23380	1.0
459.34787	26.5
460.34979	2.9
485.32642	2.4
486.32773	0.4
503.33777	100.0
504.34186	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12813	0.5
57.03316	5.6
59.01241	7.0
69.43305	1.2
69.43708	3.8
71.01233	4.0
72.99174	1.7
73.02807	1.1
78.95791	0.7
82.64343	0.5
85.02821	1.5
87.00748	0.6
88.77795	0.6
89.02306	3.5
91.65157	0.5
96.95876	1.3
99.92441	0.6
101.02322	2.2
113.02332	2.5
119.03369	2.2
129.01843	0.6
143.03392	1.3
161.04498	1.3
179.05489	3.3
187.17654	0.5
189.03999	1.3
198.80415	0.6
267.66327	0.6
290.46826	0.6
323.09738	2.2
401.30417	0.7
445.29660	1.5
503.16357	3.0
503.33755	100.0
504.34134	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	503.3375
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03316	3.6
59.01247	4.9
69.74908	1.5
69.75322	0.7
71.01237	1.1
73.11656	0.3
78.95788	0.5
83.04878	0.5
87.00739	0.9
94.48284	0.3
96.95879	1.0
101.02312	0.5
102.98473	0.5
103.91914	0.3
109.06468	0.7
112.98734	0.4
120.30946	0.3
136.38786	0.3
173.05994	0.3
186.06776	0.8
187.07564	0.8
201.05498	0.6
203.07013	0.5
214.06287	0.8
215.07008	0.6
229.08614	0.7
236.77576	0.4
241.08717	0.4
274.08594	0.5
355.30075	0.4
371.15097	0.5
397.57629	0.4
401.30682	1.5
401.44485	0.4
402.30984	0.4
406.12369	0.6
439.31580	0.4
441.33725	0.8
443.31464	1.2
445.29587	2.2
446.30426	0.4
457.33401	0.5
459.35095	0.4
485.32706	1.7
503.33774	100.0
504.34186	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	503.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03324	1.2
57.16354	0.3
59.01250	100.0
60.01587	1.0
64.74008	0.3
71.01250	6.1
71.58303	0.3
72.99181	0.7
73.02812	2.1
73.46770	0.3
74.79574	0.3
75.00757	0.8
83.01265	1.7
85.02814	3.6
87.00753	7.9
89.02325	0.9
92.52648	0.3
95.01284	0.5
96.95892	1.5
97.02831	0.4
99.00774	1.2
101.02318	3.3
101.89259	0.3
111.17709	0.3
112.98710	1.7
113.02341	2.6
119.03409	0.3
133.02861	0.4
142.10483	0.3
143.03421	0.5
149.00911	0.5
158.03693	0.7
158.07335	0.4
159.03107	0.6
159.04315	1.6
161.04472	1.4
164.73495	0.4
172.05200	1.8
173.06030	1.3
174.06805	1.3
175.07668	0.5
177.01877	0.7
182.03717	0.7
183.04416	0.6
185.09520	0.5
186.06792	2.7
187.03944	0.3
187.07553	5.3
199.11249	0.5
200.04756	1.4
201.05513	4.4
201.09132	3.0
202.06178	0.6
203.07196	0.9
211.07643	1.3
212.08510	0.8
213.08980	0.4
214.06303	4.4
215.07092	5.3
215.10541	0.4
216.07562	0.4
222.37869	0.3
227.38025	0.3
229.08658	6.2
230.09386	2.8
239.20256	0.4
243.10258	0.6
257.08411	0.4
274.08447	5.9
275.09048	0.6
299.26035	1.2
309.14914	0.6
311.12994	0.7
349.85162	0.3
371.14883	5.2
372.15326	0.7
401.25565	0.4
406.12823	0.8
415.22696	0.4
443.30280	4.7
444.30750	0.4
459.21582	0.4
461.31171	4.7
477.89841	0.4
503.21921	0.5
503.33984	7.6
504.34262	1.1
527.31653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01131	0.4
57.03325	0.5
59.01248	100.0
60.01603	0.6
60.45622	0.5
61.98735	0.5
63.69432	0.5
63.83515	0.4
71.01244	6.8
71.58546	0.7
72.99173	0.6
73.02816	1.6
75.00757	0.6
78.41464	0.5
83.01268	0.7
85.02808	2.2
87.00745	7.8
89.02316	1.6
96.95895	1.8
97.02818	0.6
98.15766	0.5
99.00754	0.6
101.02308	3.7
103.00274	0.5
112.98691	2.4
113.02331	2.4
142.36996	0.4
146.03671	0.5
159.04443	1.5
161.04454	2.8
166.07271	0.5
171.04636	0.5
172.05258	1.8
173.05992	2.0
174.06841	1.8
175.07581	0.6
177.01866	0.6
182.03813	0.5
186.06778	2.6
187.03955	0.9
187.07567	5.5
199.11305	1.1
200.04749	1.6
201.05527	4.6
201.09119	3.0
202.06013	0.8
202.09691	0.5
203.07178	1.0
211.07571	1.2
212.08362	0.9
213.09087	0.6
214.06302	5.3
215.07088	5.9
215.10751	0.5
216.07599	0.6
229.08649	6.5
230.09407	3.6
239.20213	1.4
243.10263	0.7
274.08469	6.5
285.24747	0.5
299.26004	0.8
311.12848	0.9
352.41095	0.5
371.14941	6.8
401.25232	2.3
406.12808	1.1
443.26157	1.7
443.31320	0.8
461.31387	1.6
503.21088	1.4
503.33963	9.6
504.34219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01752	2.1
57.03310	4.8
58.00475	1.5
59.01250	100.0
60.01574	2.0
69.03326	2.8
69.79423	1.3
71.01255	53.7
71.01656	2.5
71.04881	2.3
71.58762	1.9
72.99163	3.6
73.02431	1.9
73.02820	19.5
75.00748	1.9
78.95739	1.8
79.95576	2.8
81.03336	1.5
83.01261	8.6
85.02822	19.4
87.00745	15.2
89.02316	28.8
95.01250	4.9
96.95890	10.3
97.02802	2.5
99.00766	11.6
101.02322	32.4
103.00225	1.8
111.00739	1.6
112.98669	5.6
113.02325	21.2
115.03857	3.4
119.03387	4.7
125.02349	7.2
131.03387	4.3
137.09615	6.8
139.11180	7.7
142.90375	1.5
143.03384	3.5
143.10745	1.3
149.00826	13.0
149.04430	4.8
159.02872	3.4
161.04483	14.1
177.01802	1.7
179.05550	2.6
180.96471	1.4
186.06784	2.0
187.07454	1.6
191.05505	1.7
191.14308	2.0
201.05560	1.7
208.03685	1.7
209.15398	9.8
211.07524	1.7
214.06293	4.2
225.05458	1.5
229.08516	2.1
233.06631	5.5
259.55542	1.4
293.08752	4.0
309.14972	1.9
311.12778	3.4
327.15988	2.8
371.14917	11.8
371.20596	8.1
399.23596	1.7
459.22620	3.4
503.24872	57.8
503.32297	13.9
504.25604	7.2
504.31665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
57.97848	0.3
59.01251	100.0
60.01587	0.7
61.98709	0.5
69.03326	0.6
69.63366	2.4
71.01255	9.2
72.99183	1.0
73.02831	1.8
75.00754	0.5
79.95607	5.6
80.96412	1.0
83.01274	0.7
85.02824	2.6
87.00748	4.2
89.02315	6.7
95.01241	0.6
96.95891	37.7
97.02795	0.5
99.00725	0.7
101.02326	6.8
103.00267	0.9
112.98708	0.9
113.02317	5.0
113.05965	1.6
119.03377	2.3
131.03398	1.2
139.21286	0.4
143.03436	0.9
148.98889	0.3
149.00827	2.3
149.04448	0.6
157.10149	5.3
158.10487	0.6
161.04483	1.6
179.05507	1.4
181.10112	1.2
185.00806	0.7
199.11162	1.2
211.07533	0.6
225.09117	1.4
227.10669	0.5
241.00148	0.5
253.08598	0.5
255.10382	0.7
265.05634	6.9
266.05911	0.4
271.19479	0.3
280.10928	0.5
280.70764	0.4
283.13385	1.3
309.15036	1.4
311.12912	1.8
313.40640	0.4
327.15915	1.6
371.15027	3.8
372.15298	0.6
423.16428	0.6
423.29852	0.3
443.23154	0.5
459.22592	0.9
503.12286	28.9
503.24561	1.9
504.12646	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
51.41389	0.4
55.01762	4.1
57.03327	5.3
58.00473	1.5
59.01253	40.1
60.01575	0.5
61.98702	3.6
68.43578	0.4
69.03339	2.6
70.90247	0.8
71.01255	57.8
71.04895	0.4
72.01597	1.0
72.99181	2.2
73.02819	23.4
75.00760	1.7
78.95779	1.4
79.95618	0.8
81.03344	1.3
82.45638	0.3
83.01254	9.6
83.04887	0.4
85.02825	25.7
85.67833	0.3
85.99989	0.4
87.00758	4.5
89.02321	23.0
95.01259	3.2
96.95893	7.5
97.02824	3.7
99.00764	12.9
99.01424	0.6
99.04391	0.9
101.02325	47.0
102.02650	0.5
111.00735	1.7
113.02336	20.0
115.03896	2.4
119.03381	3.5
125.02345	4.5
129.01816	0.6
131.03397	4.5
135.99672	0.3
137.09613	0.6
143.03423	2.7
149.04465	5.0
149.09593	0.4
159.02898	3.7
161.04469	18.1
162.04794	0.5
179.05478	0.8
191.05534	2.7
205.03479	0.4
209.15416	7.0
210.15736	0.4
233.06621	4.0
235.13231	0.4
241.00513	2.3
265.05780	0.7
275.07898	0.4
279.12421	1.3
279.15958	0.5
280.12729	0.9
281.13242	0.6
293.08737	1.9
302.01944	0.4
323.13910	0.3
371.20743	49.2
372.21060	5.2
503.12653	3.0
503.24994	100.0
504.25351	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	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
56.24015	0.8
57.03310	1.9
59.01248	70.2
61.98686	2.5
65.03215	1.0
71.01248	37.9
72.99179	2.5
73.02811	9.2
75.00737	2.0
79.95619	1.3
83.01240	4.3
85.02833	14.5
87.00742	3.9
89.02312	21.5
95.01287	1.7
96.95897	8.8
99.00763	4.0
101.02324	31.7
105.88407	1.1
113.02329	15.2
119.03388	8.7
130.03300	1.0
135.26289	1.3
143.03397	2.2
159.02884	2.2
161.04456	15.6
167.84436	1.1
179.05522	3.2
184.82266	1.1
205.12354	1.3
221.11755	1.5
229.63605	1.4
235.13309	1.5
251.12793	3.4
266.49564	1.3
281.13959	1.6
302.24734	1.0
371.07764	2.0
397.18552	2.6
413.18140	16.3
415.19626	4.1
443.19174	100.0
444.19656	10.5
457.17200	3.1
464.10538	1.3
503.12259	3.4
503.25043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89851	0.9
57.73063	0.8
59.01251	100.0
59.64389	0.9
60.01587	0.9
69.03324	0.9
69.43906	5.6
69.44336	2.0
69.66778	0.9
71.01258	8.7
72.99189	1.3
73.02820	3.2
75.00745	1.5
79.95605	1.7
83.01263	1.0
85.02804	4.0
87.00734	4.4
89.02316	7.8
96.95890	25.0
101.02318	6.2
103.00210	0.9
111.53017	1.0
113.02316	3.8
113.05986	1.3
119.03394	2.6
131.03351	1.4
137.62241	0.8
149.00853	1.7
155.00793	1.2
157.10109	2.5
158.02359	0.9
161.04398	1.6
166.42836	0.9
205.67213	0.9
239.07043	1.0
241.00165	1.4
265.05719	4.5
283.13446	1.6
301.16019	0.8
309.14883	1.0
311.12787	2.9
327.16031	1.7
371.15125	5.0
417.21194	1.6
441.21179	2.0
459.22379	33.4
460.22723	4.0
503.12241	13.3
503.25049	2.8
504.12634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01248	100.0
60.01590	0.7
61.98693	0.5
69.03345	0.4
71.01250	3.6
73.02825	1.5
78.91748	0.5
79.95615	1.5
83.01223	0.4
85.02826	1.0
87.00739	3.1
89.02300	2.7
93.56602	0.3
95.01270	0.5
96.95888	11.2
96.96497	0.7
98.20622	0.9
99.00790	0.4
101.02316	2.1
103.00260	0.3
113.02366	1.5
119.03388	0.8
147.08095	0.5
149.00858	1.5
157.10168	1.1
165.12822	0.4
173.13300	0.4
217.12427	1.1
229.86847	0.3
241.00270	2.7
261.11484	1.1
265.05707	1.3
280.11111	0.7
283.13309	0.4
309.15051	1.0
311.12988	1.4
327.16241	1.0
371.14951	2.2
503.12292	9.0
503.25162	1.4
504.12967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29809	0.8
57.03339	1.4
59.01243	2.6
69.58100	2.6
69.58522	3.7
71.01254	1.0
75.00754	1.1
78.95771	8.1
84.73045	0.9
96.95887	1.6
110.98418	4.7
162.73122	1.0
167.01073	2.7
185.02142	4.2
224.95705	0.9
253.21745	2.9
277.21704	100.0
278.22037	9.9
279.23361	4.9
290.69919	0.9
334.42776	0.9
335.17508	7.4
384.18732	1.0
445.23563	28.0
446.23993	3.5
459.34818	7.4
498.12296	1.0
503.19492	17.8
503.33908	30.2
504.19803	2.4
504.33948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2076
Annotation	Lactucain A
Peak:m/z	Relative Intensity
57.03331	3.2
59.01250	34.0
70.79442	3.7
70.79776	4.6
71.01265	3.5
78.95800	6.0
85.02820	3.3
96.95884	22.2
117.65692	2.4
119.04929	4.2
145.02834	2.6
152.99484	2.4
163.03990	3.7
167.74522	2.6
169.10143	3.0
173.13268	7.2
181.06490	11.3
182.07262	3.6
184.08908	5.8
191.03307	2.3
191.05453	3.6
195.08151	7.4
197.09637	25.4
198.09908	3.5
199.11203	25.6
213.09355	2.6
217.12305	23.7
240.25443	2.2
241.08678	23.7
251.14586	4.0
251.55701	2.2
261.11261	4.0
276.67395	2.6
415.22614	4.0
453.94818	3.1
459.21735	41.9
460.21857	3.8
461.30762	3.7
502.32285	3.8
503.20947	100.0
503.33572	31.7
504.21210	15.3
504.34140	2.6
513.50757	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1555
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
51.77390	1.3
52.10734	1.7
57.03320	3.2
59.01249	61.5
60.01588	1.5
71.01243	14.5
71.57867	2.6
72.99175	4.9
73.02817	7.7
75.00751	11.6
76.66668	1.6
79.95605	62.9
83.01225	2.4
85.02834	7.2
87.00735	5.9
89.02298	10.6
93.03329	2.7
96.95888	68.1
99.00745	3.0
101.02325	9.7
107.04855	2.1
109.02884	1.5
113.02354	8.4
113.89260	1.8
119.03410	4.2
121.02819	1.7
133.02832	5.5
134.03656	3.2
135.04407	7.0
135.33473	1.6
137.02353	1.8
145.02844	4.0
146.02377	2.3
146.03540	1.7
147.04401	12.7
149.00816	5.4
149.06004	2.4
161.04549	2.8
163.03911	12.9
175.03880	3.1
176.04688	4.9
177.01851	2.1
178.02550	3.0
179.03389	2.9
179.05504	3.1
179.10707	4.3
187.04088	1.9
191.05545	5.2
203.10686	4.8
205.04892	3.0
206.09358	2.4
207.08081	1.9
209.06023	3.4
217.05098	2.6
217.07069	1.7
221.11758	14.7
223.07640	3.0
235.07477	2.8
237.05438	2.5
239.06750	1.7
251.07011	3.8
252.07867	11.8
263.07092	6.9
265.05386	1.8
267.06549	4.5
268.07315	4.7
279.06613	20.2
280.07407	16.9
283.09818	2.4
291.06641	19.3
292.07410	56.2
293.08118	10.5
295.06113	7.4
295.13599	1.6
296.06876	38.4
296.29834	1.9
307.06161	18.6
307.09430	2.4
308.06845	39.1
309.07205	2.2
311.09222	72.2
312.09540	4.0
323.09225	100.0
324.09470	11.1
327.08685	6.3
341.10260	18.2
454.12744	3.6
473.14377	19.9
485.14526	39.7
486.15137	3.5
503.15277	35.0
503.24796	3.4
504.15353	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	503.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	55.2
60.68492	2.9
61.98674	2.6
70.14700	8.1
70.15119	4.0
71.01234	7.8
72.99178	7.6
74.66326	2.4
85.02803	5.4
87.00748	76.7
87.04386	2.6
92.40930	2.4
96.95876	6.8
99.00758	3.9
101.02305	7.7
103.00208	3.7
112.98694	19.0
134.52097	2.6
141.65768	2.2
149.00809	10.1
158.03606	6.9
158.07262	3.8
159.04410	21.3
171.04420	5.2
172.05193	26.5
173.05989	19.6
174.06746	25.6
175.07535	6.4
177.01839	11.8
182.03635	8.3
183.04395	4.8
185.05975	5.2
186.06763	30.2
187.03922	7.1
187.07549	70.7
188.07965	2.7
200.04730	24.2
200.08473	2.7
201.05487	66.2
201.09128	39.9
202.06120	5.7
202.09785	3.5
203.07085	9.7
211.07544	18.2
212.08395	13.6
213.09108	4.1
214.06294	48.1
215.07060	100.0
216.07486	3.9
227.07178	3.8
228.08014	4.3
229.06406	4.6
229.08649	76.4
230.09422	43.7
231.10051	9.0
274.08456	77.2
275.08987	8.1
283.13171	2.9
311.12885	8.6
316.09442	3.1
327.15762	5.3
371.10397	5.0
371.14905	48.8
372.15173	4.2
406.12555	5.8
485.32596	7.7
503.33820	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
62.74593	0.2
64.21476	0.2
70.33508	0.2
70.87018	0.6
77.05718	0.2
78.95811	0.4
84.80135	0.2
93.03368	0.3
96.95898	0.2
107.04914	0.8
117.03305	0.3
117.19112	0.2
133.02843	0.3
134.03622	2.0
135.04417	96.7
136.04747	3.4
159.04398	0.3
178.02623	0.4
179.03419	100.0
180.03761	4.3
225.13728	0.2
341.08765	44.2
342.09103	3.9
503.14200	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	503.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35020	0.2
56.98618	0.2
58.00466	0.5
58.28163	0.2
59.01247	14.6
61.98715	0.3
69.03335	0.4
69.79845	0.7
69.80263	0.6
71.01249	10.3
72.99168	0.8
73.02812	2.7
75.00721	0.4
78.95767	1.3
79.95602	100.0
80.95535	0.4
80.96397	0.3
83.01257	0.4
85.02817	1.2
87.00745	2.2
89.02311	16.9
95.01280	0.3
96.95882	62.2
99.00747	4.6
101.02313	7.1
109.02811	0.2
111.94605	0.9
113.02329	2.3
119.03385	1.1
121.06487	0.2
125.02325	0.8
125.11839	0.2
131.03392	3.1
133.02893	0.3
138.96953	1.0
143.03438	0.4
149.00795	0.2
149.04451	10.4
157.10057	0.3
161.04451	0.5
164.37668	0.2
173.09653	0.3
191.05550	2.1
199.11205	0.3
221.06624	0.5
241.01143	0.9
251.07640	0.4
259.01215	2.0
299.01947	0.3
311.12857	0.5
341.07025	2.7
344.06668	0.2
362.01584	0.4
369.65656	0.3
371.14917	0.5
386.37866	0.2
443.22983	0.2
503.12277	33.6
503.24783	1.6
504.12573	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	503.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26002	0.6
54.28507	0.7
55.01755	0.7
57.03316	1.6
58.00448	1.3
59.01252	40.9
60.01575	0.7
61.98695	0.7
69.03335	1.3
71.01254	20.0
71.57709	0.8
72.99171	1.5
73.02808	4.3
75.00749	1.3
78.91762	3.6
78.95778	0.9
79.95608	14.1
80.96394	1.9
83.01250	1.9
85.02831	6.5
87.00749	9.9
89.02325	16.2
92.19840	0.6
95.01261	1.2
95.95175	0.6
96.95890	100.0
99.00756	2.1
101.02324	15.5
103.00256	2.3
112.98701	0.8
113.02334	10.3
119.03394	6.9
129.01848	0.7
131.03391	2.3
143.03375	1.0
147.08067	3.2
149.00818	5.6
149.04483	1.1
157.10139	11.9
159.02921	0.6
161.02383	1.3
161.04448	2.9
175.28943	0.7
179.03477	0.6
179.05484	2.4
179.10350	0.6
181.10153	3.2
199.11284	3.6
211.07510	0.8
217.12106	0.6
225.09166	1.3
229.18057	0.7
239.07071	0.9
239.10617	0.6
241.00189	4.3
254.09575	0.7
255.13814	1.3
259.01346	0.9
265.05630	16.8
266.06097	0.9
275.71146	0.6
283.13428	3.4
309.14990	2.4
311.12793	4.2
323.06131	0.8
327.15964	4.5
371.14917	9.4
372.15228	1.4
375.54327	0.6
423.16428	0.8
459.12695	0.6
503.12283	94.9
503.24762	3.8
503.32443	2.2
504.12595	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67934	0.5
59.01236	0.6
66.04790	0.5
71.05461	0.9
71.05842	1.1
99.23177	0.5
122.11344	0.5
131.76244	0.6
150.37241	0.5
158.29767	0.6
235.24731	0.6
249.34003	0.6
425.30515	0.9
453.30261	2.1
471.31107	73.6
472.31436	10.6
489.72672	0.6
501.32184	100.0
502.32562	16.7
527.01886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11788	0.1
55.77817	0.1
59.01249	1.2
61.45844	0.1
61.58199	0.1
62.96265	0.2
63.34302	0.1
71.01249	0.5
78.95774	28.5
83.04884	0.2
96.95911	0.1
96.96832	0.5
104.97352	0.2
113.06026	0.1
115.32101	0.1
122.98464	0.1
127.07554	0.3
134.98460	0.2
152.99487	3.4
153.00740	0.2
156.38205	0.1
160.84109	0.1
168.04218	4.3
171.00618	0.1
179.18562	0.1
194.05891	0.3
199.62277	0.1
205.19604	0.1
224.06876	11.3
225.07184	0.3
231.21063	0.1
233.22722	0.4
234.84215	0.1
239.18230	0.1
242.07933	2.9
259.20660	0.6
275.20184	0.5
275.89102	0.1
277.21710	100.0
278.22058	7.8
284.17960	0.1
413.20755	0.1
502.29388	24.6
503.29697	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	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75660	0.0
58.00243	0.0
59.01249	1.1
59.98382	0.1
62.96273	0.1
69.03318	0.0
69.32374	0.1
71.01255	0.3
71.01591	0.0
75.95486	0.1
78.95776	6.9
83.04896	0.2
96.96853	0.1
97.06496	0.1
99.04376	0.1
105.96081	0.0
113.05971	0.1
123.72593	0.0
127.07527	0.3
141.09158	0.1
152.99483	0.7
168.04230	1.9
171.00557	0.1
175.09068	0.0
197.11717	0.1
203.17735	0.0
205.19556	0.1
219.14038	0.0
224.06894	1.3
233.22739	0.3
242.07957	3.3
243.08295	0.1
250.75069	0.1
259.20673	0.5
260.21008	0.1
275.20084	0.4
277.21707	100.0
278.22046	8.5
502.29404	6.8
503.29633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03322	0.6
58.00455	0.3
59.01248	3.2
71.01237	0.5
71.04886	0.2
71.56949	0.1
72.99162	0.4
73.02798	0.3
75.05565	0.1
78.95772	0.1
83.04886	0.5
85.02817	0.2
85.64957	0.1
87.00762	0.1
87.04381	0.9
89.02337	0.1
96.95869	0.3
97.06466	0.1
118.04970	0.2
121.06472	0.1
135.08002	0.1
136.05171	0.2
137.05978	0.1
147.08084	0.1
149.09587	0.1
162.03081	0.1
175.03877	0.2
188.31087	0.1
189.69447	0.1
217.05060	0.2
255.02925	0.4
256.03677	0.5
265.25168	0.1
283.02469	0.6
284.03268	1.9
285.03754	0.2
293.22925	0.2
307.24283	2.4
308.24423	0.2
321.22266	0.2
323.23819	0.2
335.23679	0.3
337.25342	0.2
347.27356	0.4
358.23087	0.1
363.26965	0.3
372.24527	0.2
373.25269	0.4
375.27109	0.6
376.27472	0.1
377.28629	0.2
387.26691	0.5
389.28885	0.6
390.25464	0.2
391.26254	0.1
393.28046	1.2
395.29562	0.1
403.26489	0.2
405.27890	2.5
406.28271	0.4
407.29721	1.2
408.29819	0.2
423.29062	2.8
424.29196	0.4
430.94946	0.1
453.30347	0.3
455.31619	2.2
456.31894	0.3
501.32184	100.0
502.32541	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	501.3222
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.06119	0.1
53.90382	0.1
54.75632	0.1
57.03294	0.1
59.01243	0.4
61.65996	0.1
70.73933	0.4
78.95792	0.2
87.04390	0.5
90.45007	0.1
140.17438	0.1
389.28604	0.2
407.29498	0.8
425.30527	0.5
453.29965	0.8
471.31137	10.1
472.31458	1.6
501.32199	100.0
502.32562	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57340	0.2
54.98865	0.2
57.03304	0.7
59.01247	1.6
59.19205	0.2
60.99175	1.4
71.04887	0.8
71.36973	0.4
78.95741	0.4
81.59035	0.2
85.02817	2.7
87.04387	4.4
96.95905	0.5
99.04397	3.3
109.06498	0.3
119.03647	0.2
133.95171	0.3
135.04414	0.2
158.69717	0.2
176.39191	0.2
181.17670	0.2
217.00320	0.5
240.04236	0.2
347.23477	0.3
363.27060	1.3
379.30002	5.5
380.30249	1.0
383.12927	0.3
391.30176	0.7
393.28043	0.5
407.29453	0.6
409.31097	7.6
410.31308	1.1
453.29895	0.3
455.31512	0.7
471.31061	0.9
472.31601	0.3
483.30695	0.9
501.32190	100.0
502.32574	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	501.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	84.6
64.47362	3.9
67.49831	4.3
69.47434	30.0
71.01257	7.4
78.95778	8.9
94.36743	4.0
112.18069	4.1
113.02354	8.2
113.27279	3.7
126.08112	3.8
162.16231	4.4
170.43289	4.1
191.05486	4.8
194.45360	4.1
251.84540	4.4
275.23856	4.7
279.23260	100.0
280.23740	7.2
293.24762	22.7
297.70950	4.1
321.24466	7.9
324.98721	4.2
347.51364	5.0
350.79312	5.5
408.35501	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	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03319	0.7
58.00460	1.1
59.01249	45.4
63.69247	0.6
69.03305	0.7
71.01252	27.9
71.57257	1.1
72.99176	2.0
73.02816	18.9
78.95758	0.9
83.01254	5.2
85.02826	6.4
85.47097	0.5
85.66708	0.5
87.00752	3.5
89.02315	9.0
95.01257	1.9
96.19907	0.5
96.95912	1.1
97.02837	0.6
99.00734	1.3
101.02322	18.5
113.02325	8.8
113.65005	0.6
119.03381	1.6
121.02853	0.6
124.01503	0.5
125.02386	0.7
131.03394	1.0
143.03391	0.6
152.99380	0.6
183.13803	1.6
188.85239	0.7
217.00150	0.7
236.06120	0.5
279.23267	16.7
280.23654	1.1
281.24893	0.6
297.24313	4.3
311.22552	0.7
441.28540	12.7
459.29608	25.7
460.29935	2.2
501.30704	100.0
502.31012	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	0.8
66.39766	0.2
70.46117	0.8
70.68583	0.2
71.01262	1.7
72.99197	0.4
73.02788	0.5
75.12016	0.2
78.95789	0.4
83.01255	0.4
83.50639	0.2
85.02851	1.0
87.00765	0.5
89.02325	0.6
89.36301	0.2
89.93864	0.2
93.03359	0.3
94.35011	0.2
96.95904	0.9
96.96886	0.2
100.14980	0.2
101.02316	1.2
105.01857	0.2
107.04928	0.3
111.00823	0.2
113.02339	1.0
119.03382	0.4
130.97595	0.2
133.02856	0.3
135.04442	0.3
151.00325	0.4
151.03996	0.6
175.03984	0.2
191.05586	0.9
217.12291	0.3
399.23969	0.3
441.25223	0.3
445.09268	0.4
463.10583	1.2
464.10522	0.3
501.23734	0.3
501.31717	0.5
503.71902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01247	100.0
60.01578	0.9
69.26397	2.7
71.01250	1.6
73.02837	0.3
77.42265	0.2
78.67613	0.2
85.02841	0.7
87.00783	0.3
89.02318	0.4
96.95895	0.6
98.20535	0.5
99.00768	0.3
101.02342	0.7
111.00700	0.3
112.98710	0.3
113.02338	0.8
114.17117	0.3
119.03378	0.3
161.04509	0.3
209.67905	0.3
369.13715	0.4
381.22775	0.8
399.23526	1.5
441.24643	1.3
442.25253	0.3
457.33539	0.7
471.31512	0.5
501.32544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26889	0.3
53.84535	0.2
59.01248	100.0
60.01588	1.1
69.34822	2.5
70.56897	0.2
71.01242	1.6
73.02818	0.4
78.95774	0.3
85.02837	0.7
87.00725	0.2
89.02338	0.8
96.95895	0.4
98.19733	0.4
101.02343	1.0
107.96742	0.2
113.02324	0.5
115.82883	0.3
119.00444	0.2
119.03378	0.3
161.04431	0.5
223.13409	0.3
251.11853	0.2
265.14569	0.3
325.14493	0.3
369.13312	0.5
399.23764	0.5
441.25101	0.3
459.79984	0.3
501.31647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61857	0.2
56.53604	0.2
59.01247	100.0
60.01585	0.9
70.46275	0.6
71.01257	1.6
73.02805	0.3
83.01242	0.2
83.46001	0.2
85.02811	0.5
87.00735	0.5
89.02305	1.3
96.95875	0.4
97.79042	0.2
99.00790	0.2
101.02331	0.7
111.00775	0.8
113.02349	0.6
116.55843	0.2
119.03375	0.3
125.02380	0.3
134.46283	0.3
135.04424	0.2
175.02463	0.2
184.05342	0.3
207.13826	0.3
227.07149	0.6
228.07883	0.4
369.13519	0.8
399.23996	0.4
419.10391	1.0
441.25009	0.3
501.31503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.3
59.01249	100.0
60.01583	0.8
61.98716	0.6
63.56735	0.2
69.03394	0.3
70.91250	0.6
71.01254	2.7
72.99182	0.5
73.02822	0.6
78.95785	0.5
81.03312	0.3
83.01279	0.4
85.02830	0.7
86.21158	0.2
87.00756	0.9
89.02317	1.9
96.95921	0.6
99.00775	0.4
101.02319	1.7
101.50138	0.3
108.39367	0.3
112.98717	0.5
113.02354	1.4
115.00267	0.3
119.03400	0.4
122.24308	0.3
130.03809	0.3
133.02856	0.4
135.04424	0.2
135.90852	0.3
149.00862	0.4
149.04459	0.3
151.03954	0.6
161.02385	0.3
161.04526	0.5
174.73439	0.3
175.02385	0.6
191.05649	0.3
199.07669	0.5
223.13432	0.6
227.07253	0.6
229.82869	0.3
308.27740	0.3
325.14627	0.6
345.33374	0.3
369.13641	1.4
369.19125	0.7
399.24054	0.4
441.25021	0.3
496.09274	0.3
501.24075	1.1
501.31052	1.1
502.32776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31268	0.2
57.03331	0.5
59.01248	100.0
60.01589	1.0
61.01682	0.3
61.98697	0.3
69.03333	0.4
69.72894	1.5
71.01241	1.7
73.02824	0.6
73.04963	0.2
75.00731	1.6
78.70768	0.3
83.01260	0.3
85.02823	0.4
87.00777	0.4
89.02296	1.6
93.03327	0.5
96.95881	1.7
97.02802	0.3
99.00730	0.2
101.02330	1.0
111.04387	0.3
113.02324	0.4
125.02350	0.6
131.03471	0.3
133.02844	0.4
135.04428	0.3
148.93230	0.2
149.04485	0.5
161.04472	0.2
173.04477	0.3
191.05537	2.3
207.13835	0.5
233.06677	0.7
246.01334	0.2
261.11221	0.3
266.25769	0.2
277.10831	0.2
279.12454	0.6
293.08820	0.9
317.23312	0.2
368.22034	0.3
457.20938	0.4
510.81039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2338
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.01762	1.6
57.03321	15.6
58.00455	4.0
59.01246	80.1
60.01597	0.6
69.03317	8.6
71.01248	93.0
71.04874	0.8
71.35229	0.7
71.35558	0.9
72.01587	0.6
72.99179	4.4
73.02810	15.2
75.00754	3.1
78.79151	0.6
79.95610	0.7
81.03326	4.8
81.60624	0.7
83.01251	7.0
85.02814	14.4
87.00745	4.2
89.02310	100.0
90.02647	1.9
93.03349	0.7
95.01264	4.2
95.65652	0.6
96.95885	12.1
97.02822	12.9
99.00755	22.6
99.04395	3.3
101.02311	22.6
103.39181	0.6
107.01273	1.0
109.02789	0.9
109.06436	2.0
111.00735	2.4
113.02316	14.4
115.03899	8.4
117.01862	0.8
119.03368	2.7
121.06446	0.8
125.02327	54.3
126.02746	1.0
127.03883	2.5
129.01767	0.6
131.03387	13.0
137.09601	3.1
139.07535	0.9
143.03398	6.2
149.04457	19.0
149.09627	0.7
161.04486	4.4
173.04417	1.0
175.06039	1.6
191.05508	11.1
192.11467	9.9
193.11945	0.9
207.13832	23.1
213.96155	0.8
221.06577	0.9
233.06601	46.4
234.06874	1.8
293.08755	51.7
294.09006	2.9
302.56686	0.6
493.20551	0.6
501.23416	7.1
502.23511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31268	0.2
57.03331	0.5
59.01248	100.0
60.01589	1.0
61.01682	0.3
61.98697	0.3
69.03333	0.4
69.72894	1.5
71.01241	1.7
73.02824	0.6
73.04963	0.2
75.00731	1.6
78.70768	0.3
83.01260	0.3
85.02823	0.4
87.00777	0.4
89.02296	1.6
93.03327	0.5
96.95881	1.7
97.02802	0.3
99.00730	0.2
101.02330	1.0
111.04387	0.3
113.02324	0.4
125.02350	0.6
131.03471	0.3
133.02844	0.4
135.04428	0.3
148.93230	0.2
149.04485	0.5
161.04472	0.2
173.04477	0.3
191.05537	2.3
207.13835	0.5
233.06677	0.7
246.01334	0.2
261.11221	0.3
266.25769	0.2
277.10831	0.2
279.12454	0.6
293.08820	0.9
317.23312	0.2
368.22034	0.3
457.20938	0.4
510.81039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
54.57658	0.9
55.01751	1.0
55.48307	1.1
57.03320	1.2
58.00439	1.5
59.01248	100.0
65.41518	0.8
67.40209	0.8
69.03322	1.4
71.01250	43.4
71.58601	1.5
72.99168	2.6
73.02436	1.2
73.02814	13.4
75.00729	1.4
79.95599	1.3
82.24942	1.0
83.01244	3.9
85.02816	5.4
87.00733	3.1
89.02312	72.5
95.01260	1.6
96.95886	26.3
97.02819	2.1
99.00758	22.2
101.02314	28.4
113.02334	10.0
119.03358	3.0
125.02311	2.8
130.08629	1.1
131.03378	13.5
135.04407	1.0
143.03381	3.5
149.04456	48.5
161.04440	3.7
179.03365	1.1
185.00703	1.2
191.05534	13.5
202.76315	1.0
209.11748	3.8
219.13818	0.9
221.06575	2.5
253.09323	0.9
279.12344	2.8
279.15625	1.1
457.17093	1.2
479.74713	1.0
486.29843	1.0
501.10614	4.1
501.23593	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	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57658	0.9
55.01751	1.0
55.48307	1.1
57.03320	1.2
58.00439	1.5
59.01248	100.0
65.41518	0.8
67.40209	0.8
69.03322	1.4
71.01250	43.4
71.58601	1.5
72.99168	2.6
73.02436	1.2
73.02814	13.4
75.00729	1.4
79.95599	1.3
82.24942	1.0
83.01244	3.9
85.02816	5.4
87.00733	3.1
89.02312	72.5
95.01260	1.6
96.95886	26.3
97.02819	2.1
99.00758	22.2
101.02314	28.4
113.02334	10.0
119.03358	3.0
125.02311	2.8
130.08629	1.1
131.03378	13.5
135.04407	1.0
143.03381	3.5
149.04456	48.5
161.04440	3.7
179.03365	1.1
185.00703	1.2
191.05534	13.5
202.76315	1.0
209.11748	3.8
219.13818	0.9
221.06575	2.5
253.09323	0.9
279.12344	2.8
279.15625	1.1
457.17093	1.2
479.74713	1.0
486.29843	1.0
501.10614	4.1
501.23593	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56439	0.3
52.64363	0.4
57.03312	1.0
59.01250	10.8
71.01252	3.8
72.99117	0.4
83.04917	1.6
85.02833	0.9
87.00750	34.8
87.39812	0.4
88.01057	0.7
89.02309	2.0
93.03336	0.5
96.95868	2.5
99.96759	0.4
101.02334	1.1
107.83781	0.4
113.02312	1.8
119.03444	0.5
119.08543	2.2
134.03624	0.5
137.05904	0.4
139.07549	0.5
161.04486	0.7
173.09689	0.6
173.13242	0.6
187.11157	0.8
189.12762	5.8
189.74161	0.4
191.05566	1.2
191.10709	1.6
191.14236	0.5
201.23317	0.4
215.10674	1.2
216.40672	0.4
217.12285	3.3
233.11818	1.7
235.13338	8.1
261.11383	2.2
279.12369	100.0
280.12656	7.6
293.13971	5.6
294.14261	0.5
303.12204	0.6
307.04639	0.7
321.13409	24.3
322.13672	2.0
381.15494	0.6
441.17456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68550	2.5
69.86939	5.0
69.87225	15.2
75.67373	3.2
78.95774	100.0
96.95897	5.0
96.96821	26.4
100.68711	2.8
112.21605	3.0
149.84869	2.9
177.01791	16.0
270.50543	2.7
296.66245	2.8
307.60379	3.0
313.23157	2.8
357.08917	55.7
371.30353	3.4
399.09860	6.3
419.38174	3.0
501.13272	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	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01241	1.8
60.99171	0.4
61.98675	0.2
63.88314	0.1
67.01756	1.4
69.03001	0.1
69.03313	0.8
70.33276	0.1
70.48288	0.1
71.01242	1.2
72.99172	0.2
73.02816	0.5
78.95765	0.2
79.95599	0.3
81.03322	0.5
83.04889	0.6
85.02818	8.4
87.00748	3.0
93.03330	10.0
94.03640	0.3
96.00711	0.1
96.95878	2.1
99.00746	0.3
99.04380	0.4
101.02344	0.3
105.03326	0.4
109.02856	0.8
111.04401	1.9
113.02316	0.4
121.02853	0.2
127.03908	2.1
128.03404	0.3
129.01833	0.3
132.02029	1.2
133.02858	3.0
134.03653	1.6
135.04399	2.2
137.02368	0.8
143.03320	0.2
147.04391	0.2
149.04840	0.1
149.05978	0.6
149.93216	0.1
150.03114	0.2
155.03368	0.2
160.01559	4.7
161.02344	3.8
171.02887	0.7
173.04449	3.1
177.01837	1.1
178.02594	0.8
179.03371	0.7
191.05527	100.0
192.05879	3.6
203.38564	0.1
229.71869	0.1
252.79787	0.2
279.12375	0.2
307.04443	0.2
309.07654	10.9
310.08023	0.9
327.08691	1.1
339.05005	0.2
346.61563	0.2
350.59668	0.2
351.07111	0.2
366.09363	0.2
367.10266	0.3
432.60327	0.2
452.95297	0.1
501.14059	1.8
501.20795	0.2
501.24948	0.3
502.14203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.96470	0.7
60.01573	0.9
60.41768	0.8
67.82789	0.9
69.65132	3.4
69.65537	1.8
91.03896	0.9
98.20525	1.1
108.93775	0.9
124.36991	0.9
203.45576	0.9
227.24217	1.0
236.57774	0.8
270.33844	0.8
270.90320	0.8
276.23636	0.9
308.69254	0.8
347.25812	1.2
365.26938	9.9
449.49905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3067
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
57.03325	0.7
58.40899	0.3
59.01257	1.4
67.41521	0.3
70.13112	0.3
70.60696	0.9
71.01241	0.4
72.78981	0.3
73.02837	0.3
74.31768	0.3
76.47971	0.3
78.95779	0.4
83.04893	0.6
83.11190	0.2
85.02824	0.4
87.04383	2.1
96.95902	0.6
136.05164	0.3
156.80525	0.3
165.86436	0.3
179.30911	0.3
250.63577	0.3
251.51155	0.3
307.24268	3.2
337.25516	0.7
387.27005	0.4
389.28915	0.3
393.28079	0.5
405.28098	1.1
423.29095	1.0
451.28094	0.5
469.29581	60.4
470.29883	8.4
499.30667	100.0
500.31003	13.9
500.38470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3066
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
59.01237	0.7
69.75105	0.3
69.75513	1.0
71.01248	0.3
73.02831	0.2
79.40200	0.2
85.02795	0.2
87.04379	0.4
95.81027	0.2
96.95865	0.3
98.19783	0.3
108.05600	0.2
111.18139	0.2
116.66258	0.2
151.07631	0.3
295.22775	0.3
307.24243	0.4
338.89584	0.2
377.28900	0.2
393.27881	0.2
405.27905	0.7
406.28644	0.4
407.29370	0.2
423.28839	0.3
437.30536	0.6
439.27451	0.3
451.28790	0.2
469.29596	5.0
470.29895	0.8
499.30646	100.0
500.30981	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
66.02349	1.3
71.01246	5.4
71.53327	2.2
89.02329	2.1
97.95621	1.0
101.02324	2.0
113.02323	5.3
119.03397	1.1
233.28815	1.3
277.21725	81.8
278.22089	7.0
291.23428	2.5
319.22739	1.9
359.84952	1.4
499.16992	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	49.5
60.84558	24.2
65.92001	20.3
71.58102	33.3
71.75764	24.6
75.83579	20.9
99.04375	35.2
104.39876	19.2
182.27307	19.6
215.92621	28.2
277.21655	100.0
291.23285	74.6
395.29459	82.0
407.30261	25.8
427.32114	28.3
471.31134	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01249	100.0
60.01590	0.5
61.98721	0.4
63.94778	0.4
66.51624	0.4
70.82649	1.2
71.01256	4.3
73.02818	1.5
78.95776	0.7
85.02829	1.4
89.02325	0.9
96.95947	0.7
101.02326	2.6
113.02349	1.6
118.87293	0.5
129.43665	0.5
135.04420	0.5
161.04514	1.8
195.08128	0.5
203.05582	0.7
217.15875	4.2
235.16991	0.6
257.08264	1.2
314.88889	0.5
379.21393	1.7
397.22473	3.6
439.23633	1.5
499.30142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63749	0.3
54.47805	0.3
59.01251	100.0
60.01594	0.8
68.03040	0.3
69.51121	2.8
71.01255	2.8
73.02820	0.9
83.01264	0.7
85.02835	1.1
87.00784	0.5
89.02338	1.1
93.03336	0.4
96.95902	1.4
101.02341	1.8
111.68024	0.3
113.02327	1.2
135.52281	0.4
143.03435	0.4
152.99477	0.4
153.66710	0.4
161.04536	0.8
173.48708	0.4
191.05611	0.7
224.26816	0.4
224.28996	0.4
235.17067	0.7
373.58011	0.5
379.21167	3.3
397.22498	3.4
439.23315	1.9
440.24185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.2
59.01247	100.0
60.01575	1.0
60.31945	0.2
66.52499	0.2
71.01269	0.7
71.33839	0.3
85.02818	0.3
96.95925	0.3
101.02332	0.5
122.42001	0.2
131.27972	0.2
161.04457	0.2
180.34291	0.2
200.02225	0.3
322.33597	0.2
397.22238	0.7
439.23401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	48.5
61.98700	1.5
67.28780	0.4
69.03333	0.6
69.70141	2.9
71.01252	7.7
72.99171	1.1
73.02819	0.5
75.00734	1.3
83.01276	0.4
85.02824	2.0
87.00750	100.0
88.01082	1.5
89.02309	8.7
95.01256	0.7
96.95905	2.2
98.19796	1.0
101.02322	4.4
105.99075	0.5
109.02840	1.2
113.02328	3.1
119.03377	3.6
143.03401	1.1
153.01823	1.5
157.14259	0.5
161.04453	1.9
161.09648	1.3
171.08087	4.7
179.05551	3.3
187.07651	0.7
189.09140	17.8
190.09421	0.6
197.09615	1.4
215.10748	1.9
231.10289	0.6
241.08701	1.7
251.12732	0.7
277.10843	0.5
295.11682	0.7
351.14441	0.9
362.68451	0.5
421.14972	3.9
439.16101	18.2
440.16571	1.7
471.34705	0.5
500.13779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99763	1.7
58.02803	2.0
59.01246	73.2
70.03391	10.3
71.01247	16.5
72.25182	1.7
83.44473	1.7
85.02811	3.0
87.00750	3.7
89.02322	22.4
96.95893	7.1
101.02316	10.8
111.78845	1.7
113.02343	6.9
119.03374	10.2
134.55128	2.1
145.25467	1.9
161.04422	2.9
179.05475	10.4
187.11229	5.1
197.09645	35.7
198.10027	2.3
200.08372	5.3
213.09274	3.1
215.10707	100.0
216.11009	5.3
231.10185	2.5
257.11792	5.6
259.09793	7.3
277.10880	6.1
377.16034	2.9
396.48416	2.1
421.14929	11.2
439.16119	32.2
440.16354	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	499.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
58.00457	1.8
59.01247	4.3
60.31684	0.4
67.12326	0.4
69.03314	0.4
71.01245	1.5
71.58169	0.6
72.99174	1.5
73.02815	1.3
78.95770	0.5
79.95543	0.5
83.04888	0.9
84.01998	0.5
85.02822	0.8
87.00754	6.5
89.02303	1.0
92.38893	0.4
93.03328	0.8
96.95877	12.5
99.00797	0.4
101.02294	0.6
103.00242	11.0
105.06982	0.8
107.04913	1.0
111.04411	1.0
113.02325	0.6
119.08542	1.2
123.04431	0.8
133.06494	0.4
135.04373	0.7
137.02402	0.4
171.11676	0.5
173.04404	0.5
173.09570	0.7
175.11169	3.1
177.12691	0.5
185.09666	0.4
187.11215	1.0
189.12750	1.3
191.05524	2.5
191.10709	1.6
203.10686	1.3
205.12260	1.8
215.10686	1.1
221.11708	1.9
233.11707	1.3
247.09499	0.5
249.11258	1.3
251.12834	6.6
265.05011	0.5
265.10712	0.7
277.10764	2.8
295.11838	100.0
296.12186	7.2
309.13507	2.4
319.11798	0.4
337.12897	5.6
338.13046	0.5
468.78668	0.5
499.17325	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	499.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47734	0.5
57.03326	0.8
59.01260	4.8
60.99171	2.0
67.01768	4.7
69.03317	1.1
70.75854	1.5
71.01253	5.1
72.99191	0.8
73.02811	3.4
73.20982	0.6
81.03330	1.0
83.04908	0.9
85.02812	3.5
87.00749	9.1
87.04399	1.2
89.02312	0.8
93.03337	44.3
94.03682	1.1
101.02322	1.9
103.03839	0.6
105.08717	0.5
109.02822	0.6
111.04409	5.6
113.02332	0.8
115.03893	2.0
127.03841	0.6
131.03448	1.6
137.02400	0.7
143.03401	2.4
145.04922	0.5
155.03429	1.3
173.04471	10.9
173.19547	0.7
191.05525	9.0
205.07095	2.3
338.16107	0.6
499.16690	100.0
500.17047	10.7
512.73444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.5
60.99158	2.0
67.01764	3.6
69.03323	1.7
69.72335	3.1
71.01241	4.3
73.02811	2.4
75.32169	0.6
81.03326	0.7
84.28844	0.7
85.02822	1.8
87.00740	8.3
89.02326	0.7
93.03330	41.4
94.03661	1.6
98.19864	1.4
101.02314	2.5
109.02853	0.6
111.04393	6.2
115.03870	2.0
131.03372	2.0
137.02303	0.9
143.03400	2.7
155.03409	1.7
173.04448	14.9
174.04736	0.7
191.05539	12.8
192.10344	0.6
205.07112	2.3
306.07620	0.6
499.16647	100.0
500.16885	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	498.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	1.6
58.53171	0.5
59.01244	1.1
71.58377	0.6
72.00780	2.3
73.03939	19.1
74.02341	51.2
82.06501	1.4
83.02382	1.0
83.26974	0.6
84.00775	1.1
85.88235	0.5
87.05504	6.0
108.08082	1.3
112.02663	2.8
118.04961	4.6
125.10722	0.7
126.09135	3.9
126.09941	0.6
129.10266	1.0
130.08621	3.4
139.08676	2.2
141.10217	3.8
141.82893	0.5
143.11801	30.8
144.12195	0.8
152.07062	7.3
152.38124	0.5
153.10239	2.8
165.10231	1.4
169.09752	8.2
169.13387	5.7
184.77026	0.6
187.10831	8.5
188.11142	0.8
200.13972	53.9
201.14354	2.5
209.18970	0.6
226.15590	2.4
226.21710	45.3
227.22037	3.5
229.64053	0.6
244.13033	0.8
244.16658	1.2
264.22168	0.6
266.21231	2.7
270.20770	4.2
279.23438	0.6
283.23898	22.9
284.24500	1.3
297.25397	0.9
379.29730	1.6
389.50711	0.6
397.30692	6.1
410.33881	3.2
436.35800	1.0
454.32822	100.0
455.33163	13.9
498.35458	42.7
498.46185	0.8
499.35626	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	497.2905
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
57.03308	1.3
59.01242	1.1
70.23372	0.3
70.23711	1.6
72.99178	13.5
78.95763	1.5
83.04895	0.5
93.03329	0.4
96.95888	0.9
97.02831	0.6
98.20381	0.5
123.08028	0.5
141.57138	0.3
152.99480	0.5
153.35123	0.3
159.15143	0.4
160.84128	0.5
171.98267	0.7
208.15253	0.3
220.20523	0.4
269.21213	2.0
365.28265	2.4
375.27106	0.6
377.28363	0.7
386.87485	0.4
393.27844	0.7
395.29657	1.0
453.30078	0.8
497.29065	100.0
498.29413	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	497.2753
Annotation	Simplexin I
Peak:m/z	Relative Intensity
57.03316	2.6
58.00457	2.7
59.01250	64.0
60.01577	1.4
69.03316	1.7
69.27345	7.0
69.27765	8.7
71.01250	44.9
72.99165	2.7
73.02817	21.4
78.95766	5.8
82.19181	1.6
83.01261	8.0
84.41978	1.6
85.02820	14.9
85.17068	1.5
87.00724	3.3
89.02323	10.7
91.03595	1.6
95.01228	4.1
96.95882	4.5
99.00740	2.7
101.01700	1.8
101.02325	20.2
112.98711	1.5
113.01733	1.4
113.02338	16.6
119.03359	2.7
139.27072	1.5
152.99460	2.7
182.94452	1.5
241.59036	1.6
275.20160	16.1
293.21191	30.2
418.40680	1.5
437.25479	33.3
438.25656	3.5
455.26535	50.6
456.26797	4.8
497.27515	100.0
498.27750	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	497.2757
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
57.03323	0.7
59.01252	38.9
61.98679	1.4
68.43292	0.8
69.41269	0.6
69.93329	3.9
71.01259	4.3
73.02820	1.6
74.98956	0.8
85.02818	1.4
87.00726	1.2
89.02329	2.2
96.95889	7.6
101.02296	2.1
109.02840	0.8
112.98674	1.3
113.02297	2.5
125.02305	0.8
134.03661	0.8
135.04395	1.4
152.99451	1.4
161.04498	0.8
177.01707	0.8
179.03387	1.0
233.15312	1.9
255.79819	0.7
257.69708	0.7
276.35059	0.7
292.13422	1.0
313.15848	0.8
317.21201	11.9
350.25653	0.6
429.78973	0.7
497.27539	100.0
498.27856	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01744	0.9
57.03319	1.0
58.00457	1.2
59.01247	47.0
60.01589	0.3
69.03333	1.0
69.35334	1.0
69.35748	2.3
71.01250	27.1
72.99178	1.8
73.02814	25.4
73.03239	0.7
74.03139	0.5
78.95775	1.3
83.01254	6.9
85.02821	4.2
87.00759	3.1
89.02314	6.6
95.01249	1.3
95.04901	0.4
96.95898	0.4
97.02861	1.0
99.00760	1.1
101.02316	19.2
102.02663	0.4
111.08043	0.8
113.02328	5.9
113.09615	0.9
119.03382	1.8
124.01483	0.4
125.02348	1.0
131.03415	0.8
143.03387	0.7
161.04448	1.2
179.14326	1.1
181.12190	0.4
195.13879	0.8
205.15945	1.0
205.34186	0.3
223.13326	2.1
231.21220	1.3
275.20129	9.6
276.20691	0.6
277.21722	1.2
278.22055	0.4
293.21191	31.1
294.21527	3.1
301.68155	0.3
437.25470	6.8
438.25766	0.6
455.26425	15.3
456.26834	2.1
479.27011	0.4
497.27524	100.0
498.27856	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	497.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04639	0.3
54.11866	0.2
58.00494	0.3
59.01250	100.0
60.01580	1.4
70.08046	1.5
71.01252	10.4
72.00790	0.7
72.99197	1.3
73.02814	4.0
78.95777	0.6
79.95608	0.8
81.27465	0.3
82.69032	0.3
83.01267	1.5
85.02814	2.2
87.00770	0.8
89.02318	6.1
89.02824	0.5
93.03325	0.5
95.01261	0.7
96.95887	6.2
96.96832	0.4
98.20448	0.4
98.95491	0.3
101.02322	6.0
108.02025	0.3
112.98647	0.3
113.02326	4.7
114.26852	0.3
117.18626	0.3
119.03395	2.6
120.99551	0.3
125.02373	0.7
131.03447	0.6
133.02872	1.3
135.04410	0.6
137.02359	0.5
141.27905	0.3
143.03406	0.7
149.04390	0.3
161.04453	1.0
168.00560	0.5
177.01884	0.7
179.03473	0.3
179.05565	0.8
191.05530	0.4
195.06500	1.4
202.27669	0.2
299.18671	0.4
371.38269	0.3
452.26797	0.4
460.23148	0.3
497.16580	0.7
497.28207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
57.47144	1.1
59.01238	4.2
63.98251	1.1
69.47287	9.7
71.04892	6.7
74.02340	1.6
78.95761	9.0
93.03333	1.4
108.02063	4.9
110.17346	1.0
115.42310	1.1
122.89021	1.1
152.99487	9.7
171.00475	1.9
171.98264	12.6
172.99001	2.1
195.17480	1.9
197.19038	15.8
212.93205	1.0
223.20682	6.5
225.22173	25.2
226.22481	1.6
234.06329	1.2
251.19987	3.9
269.21204	100.0
270.21600	7.1
292.56177	1.2
373.39301	1.3
425.21335	1.2
497.16718	6.8
497.25140	23.7
497.32202	1.3
498.25421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
66.74770	0.7
71.01260	2.9
71.58292	0.9
72.99200	1.0
73.02821	1.8
78.95771	2.1
85.02826	1.1
89.02332	1.4
96.95895	2.7
101.02358	2.4
105.98289	0.7
107.19465	0.8
111.02702	0.8
112.43819	0.7
112.98701	1.2
113.02361	1.7
133.02846	1.0
135.04463	2.1
152.99559	2.1
226.20723	0.7
377.19843	1.7
395.20615	1.3
432.18152	0.9
437.21613	5.6
497.26718	1.5
498.27740	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	497.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.6
61.98690	0.1
65.03815	0.1
67.01762	0.2
69.34466	0.9
70.62772	0.1
71.01247	0.4
73.02814	0.6
78.95767	0.5
79.69052	0.1
82.81820	0.1
83.12331	0.1
85.02782	0.1
87.00755	0.1
87.62941	0.1
89.02324	0.2
92.00712	0.1
93.03329	6.5
94.03667	0.1
96.95871	0.7
99.95610	0.1
101.02316	0.2
106.04134	0.1
112.98711	0.2
113.02357	0.2
121.02837	8.5
122.03197	0.2
133.02870	0.1
137.02316	0.4
138.03105	0.1
139.03902	100.0
139.16177	0.1
140.04243	2.9
141.01537	0.1
152.99490	0.7
165.01851	0.4
165.05350	0.1
181.04950	0.1
193.04973	0.2
213.14867	0.5
219.13844	0.2
263.13000	0.5
283.08133	0.2
301.09091	0.2
307.75293	0.1
437.24536	0.2
455.25818	0.2
497.23727	1.4
498.24524	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41532	1.2
59.01248	13.5
71.00934	1.5
71.01262	14.8
71.57803	1.5
72.99183	2.5
73.02816	4.1
81.03764	1.2
83.01273	3.1
85.02820	5.6
87.00748	2.9
89.02312	6.5
96.95892	4.3
99.00780	3.3
101.02306	13.5
113.02321	7.8
119.03352	2.1
157.12199	2.5
161.04454	1.8
161.61043	1.5
203.12816	5.9
247.26253	1.4
341.10864	4.9
365.18134	17.5
497.22366	100.0
498.22977	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	497.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57292	0.4
52.93798	0.4
54.62543	0.4
56.56713	0.4
57.18660	0.4
59.01246	9.7
69.50655	3.7
71.01238	1.8
72.99187	0.5
73.02807	1.2
78.95758	0.4
79.95605	1.1
81.03325	0.6
85.02803	1.5
87.00768	0.8
91.01773	0.6
93.03327	0.9
96.95882	19.9
98.20515	0.7
98.95464	1.0
101.02373	0.9
108.02046	11.6
109.02828	95.5
110.03172	1.7
111.08044	0.5
113.02339	0.9
123.00786	2.1
123.04433	1.1
125.02306	0.6
133.02740	0.5
135.04391	1.6
135.08038	0.5
137.09616	2.6
151.03903	1.3
152.01042	15.3
153.01826	99.0
153.86214	0.5
154.02155	3.2
155.10681	8.3
163.07503	0.7
167.53188	0.4
177.01810	0.5
179.03360	1.1
191.05521	1.4
195.02898	1.0
199.09650	0.8
205.62068	0.5
223.09622	0.7
259.16345	0.5
297.06131	0.9
315.07169	2.1
337.03629	0.7
413.51917	0.4
453.17252	1.0
497.16599	100.0
498.16925	11.2
498.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03316	0.8
58.00455	0.9
58.82533	0.5
59.01248	100.0
60.01594	1.0
69.41566	1.4
69.41982	4.1
70.43803	0.5
71.01250	21.0
72.99197	1.3
73.02817	18.0
75.00751	1.0
78.95776	4.3
79.95622	0.6
83.01257	6.2
85.02813	4.8
87.00751	1.8
89.02321	7.0
93.03311	0.7
95.01279	1.0
96.95879	9.1
96.96828	0.9
97.02831	0.7
99.00736	0.7
101.02319	21.2
111.00768	1.0
113.02336	9.7
119.03383	4.2
121.06512	0.7
125.02369	1.2
129.01826	2.6
131.03416	1.9
135.04430	0.6
143.03409	1.9
149.04489	1.2
152.99478	5.7
155.03389	0.6
161.04480	3.1
191.05565	1.6
261.18594	5.1
273.18652	0.8
332.66425	0.7
405.22794	5.1
406.23245	1.2
423.23981	4.2
435.23752	4.4
436.24216	1.0
453.24844	1.9
495.17136	0.7
495.24258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
54.62548	0.4
55.01767	1.4
57.03323	1.7
58.00462	1.1
59.01252	100.0
60.01590	0.7
62.30598	0.5
69.03331	0.8
71.01253	26.6
71.04892	0.5
71.42360	0.5
71.58631	0.7
72.99189	1.8
73.02817	16.8
73.91216	0.5
78.95805	0.8
80.25981	0.5
83.01255	7.3
85.02827	8.7
85.03280	0.7
86.00006	0.8
87.00780	1.7
89.02319	6.9
90.02033	0.5
93.03340	0.6
95.01286	1.8
95.04926	0.5
96.95899	4.5
97.02842	1.2
99.00776	2.0
101.02328	19.8
109.06472	4.4
111.00799	0.7
113.02330	10.6
113.03053	0.7
119.03413	3.0
123.08052	2.0
125.02272	1.1
131.03410	1.0
136.05173	2.6
143.03444	1.5
149.04515	1.2
149.05986	2.1
150.06841	2.9
151.06503	0.5
151.07584	5.0
155.03304	0.5
161.04486	2.1
161.06024	3.9
163.07613	0.9
164.08330	0.5
166.80222	0.5
177.93515	0.5
187.07587	2.0
189.09276	0.6
191.05579	0.6
203.10704	12.1
203.12419	0.9
204.11008	0.6
222.52618	0.5
249.18617	1.6
255.17590	2.1
261.14505	0.6
273.18652	2.0
275.16663	0.8
275.19897	0.6
276.17249	0.9
277.18033	1.6
290.16019	0.5
291.19659	3.1
327.21741	0.7
393.22806	2.8
411.23618	2.3
412.24643	0.6
413.04453	0.7
417.22766	1.2
420.21588	1.1
435.23856	36.2
436.24149	4.0
438.22559	0.9
453.24927	30.8
454.25311	3.6
480.23868	1.7
495.26019	31.5
496.26416	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	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53611	0.8
55.99495	0.6
57.03323	1.1
59.01250	68.1
61.98698	2.5
69.03322	1.5
71.01256	11.7
71.58311	1.2
73.02817	6.4
78.95764	2.6
79.95617	2.4
83.01253	2.1
83.04886	1.0
85.02817	3.8
87.00756	2.7
87.04387	73.2
88.04734	1.5
89.02322	5.0
95.01289	0.9
96.95889	100.0
97.02789	1.0
99.00755	1.0
101.02322	8.3
103.03884	3.2
112.98685	1.4
113.02328	6.2
119.03378	2.2
129.01826	2.5
161.04486	2.2
179.03380	0.8
179.05447	0.8
182.46771	0.8
183.13791	2.0
192.53250	0.7
194.47681	0.8
195.13828	3.8
213.14899	34.5
214.15202	1.8
221.66252	0.8
253.09274	10.6
257.61896	0.7
271.37415	0.9
275.09229	1.0
305.15976	0.9
342.40836	0.7
347.17108	2.4
375.20038	4.1
435.23697	2.7
435.29642	1.8
453.24600	1.0
495.15564	1.7
519.16309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17323	0.1
59.01249	2.3
65.03826	0.1
69.47020	0.9
71.01266	0.3
73.02814	0.1
81.03326	0.3
84.97781	0.1
85.70844	0.1
89.02345	0.3
91.01777	0.1
93.03342	0.3
96.95889	0.2
101.02345	0.1
108.02038	0.5
109.02829	0.6
109.62283	0.1
113.02292	0.1
119.01194	0.1
136.01570	1.8
137.02336	100.0
138.02678	2.9
138.84798	0.1
159.31470	0.1
166.65782	0.1
180.90883	0.1
183.13821	0.3
195.13863	0.1
213.14838	1.1
233.15511	0.1
299.07672	0.2
426.47256	0.1
435.19629	0.2
495.22305	10.2
496.22592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39486	0.2
59.01242	1.2
65.03831	0.3
69.36539	1.6
71.01237	0.2
73.02792	0.3
76.77914	0.2
78.95746	0.4
79.32536	0.1
85.22573	0.2
86.75923	0.2
93.03334	75.3
94.03653	1.8
96.95892	0.8
98.19803	0.3
101.02331	0.2
113.02266	0.2
121.02814	0.5
131.76871	0.2
137.02341	100.0
138.02695	3.3
179.03473	0.2
183.13809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1659
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
52.65042	1.3
54.07937	1.3
57.03319	6.9
59.01241	4.8
61.98701	1.5
63.02257	2.9
65.00193	12.1
71.56939	1.3
71.57378	1.4
78.95764	2.6
83.01246	6.5
88.08395	1.3
96.95873	7.4
107.01258	14.8
122.32018	1.4
125.02329	100.0
126.02608	3.0
146.03697	2.2
150.99101	2.9
151.00255	32.4
152.99478	2.0
161.02325	4.0
167.03441	1.6
172.05194	4.8
174.03078	3.3
186.06750	5.4
189.12575	1.5
199.07668	1.4
200.04787	1.8
212.04739	4.4
227.03381	1.8
228.04176	1.8
240.04124	2.8
256.03622	2.8
276.62567	1.5
281.15521	1.7
283.02441	2.7
284.03299	11.7
295.02512	2.6
296.03201	6.1
297.03851	1.8
297.14890	19.9
298.04758	1.8
298.15240	2.1
309.03931	6.2
315.16025	15.0
323.13077	2.1
325.14493	7.8
339.16000	1.8
341.13840	3.0
343.15442	21.6
344.15710	2.5
367.15390	7.0
369.13367	35.7
370.13754	5.7
391.15503	7.8
433.16559	3.1
449.16010	5.9
467.17371	6.9
477.15485	17.6
478.15717	2.6
495.16580	90.6
496.16888	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	495.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
61.39085	0.3
69.41710	0.9
69.42133	1.3
71.01251	1.0
72.47932	0.3
73.02837	0.3
73.63798	0.3
76.88686	0.3
79.95608	0.8
84.90826	0.3
85.02836	0.3
87.00718	0.5
96.95886	11.3
98.95454	0.4
101.02340	0.4
113.02272	0.4
115.02705	0.3
120.99538	100.0
121.99861	1.1
135.04373	0.4
137.02295	0.4
145.02896	0.5
163.03903	0.3
173.09599	0.3
178.00945	0.3
179.03436	0.3
187.66202	0.3
191.05525	0.6
207.93402	0.3
211.04344	0.8
286.11572	0.3
313.65875	0.3
337.03860	0.5
355.04892	0.8
373.01501	0.4
408.98920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03329	1.3
57.55763	0.2
59.01252	100.0
60.01582	0.8
61.98702	0.3
69.03336	0.4
71.01255	11.2
71.04904	0.6
71.07188	0.6
72.99194	0.5
73.02818	3.0
74.95847	0.2
75.00756	0.4
83.01254	2.2
83.04912	0.3
84.33895	0.2
85.02824	5.6
87.00764	1.0
87.04434	0.3
89.02328	2.2
95.01270	1.2
96.95884	3.9
97.02842	0.5
99.00767	1.6
99.04410	0.3
101.02324	6.4
108.70532	0.2
109.02857	0.2
111.00767	0.6
113.02332	6.3
119.03428	0.8
125.02377	0.6
129.01807	0.4
129.09125	0.7
131.03305	0.3
135.04427	0.5
137.03609	0.2
143.03384	1.3
146.03697	0.3
153.01794	0.4
159.02913	0.5
161.02408	0.3
161.04472	1.9
179.03448	0.3
191.05548	1.0
217.12263	0.4
229.18042	0.5
239.07239	0.3
260.08731	0.2
268.07349	0.4
283.09845	0.6
287.22369	0.8
289.23868	7.7
290.24268	0.4
293.14349	0.3
403.27109	0.5
433.28070	18.1
434.28397	1.9
451.29083	9.7
451.35342	0.5
452.29596	1.1
492.73196	0.5
493.23322	1.0
493.30255	0.5
493.73523	0.2
500.30502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	4.7
59.01253	77.8
71.01260	35.9
73.02799	22.8
74.66517	3.8
75.00759	7.1
85.02814	10.5
87.00762	6.5
89.02323	40.1
96.95882	17.3
101.02314	24.4
113.02321	9.8
131.03371	5.3
133.98428	4.5
149.04440	7.1
152.15642	4.8
161.04440	6.4
194.83081	4.7
232.69333	4.8
292.51419	4.4
301.47134	4.4
345.03101	4.0
361.18463	5.9
389.18152	15.3
449.20328	100.0
450.20831	7.5
493.23135	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	493.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
59.01246	13.1
61.66407	0.4
71.01255	3.4
71.58573	0.6
71.58987	0.6
73.02816	2.0
78.95760	0.4
83.01241	0.5
85.02805	0.6
87.00751	0.6
89.02325	0.7
89.12631	0.5
90.97022	2.7
92.00388	0.4
93.03354	0.5
96.95908	1.2
100.11567	0.4
101.02336	2.2
106.92123	0.4
113.02295	0.7
118.96493	1.0
132.98116	4.0
135.76411	0.5
137.02327	1.7
160.97568	0.7
165.12727	1.4
174.99155	6.3
181.12279	0.5
183.12164	0.7
183.13812	15.6
184.14197	0.6
186.99178	1.1
201.00664	0.6
209.11755	1.6
227.12825	0.8
229.03914	0.9
235.06409	0.7
241.03844	0.6
241.07596	0.5
243.05482	0.7
255.09167	2.8
257.06989	0.4
257.07834	0.5
257.10638	5.6
265.08521	2.2
277.07660	0.6
281.07205	0.7
283.08636	7.3
284.09497	0.5
284.55716	0.4
295.08548	1.1
297.10117	4.7
299.11752	7.7
301.09738	0.7
307.12091	0.5
327.07501	0.7
339.14886	0.8
341.09271	0.8
343.10699	1.1
353.16330	0.6
367.18036	1.5
375.19156	0.6
383.19434	0.5
399.18573	0.8
401.19989	1.1
413.20053	0.8
418.17511	0.5
419.21024	1.8
421.22754	3.8
423.24405	2.3
431.21097	10.5
432.21527	0.7
449.22220	5.8
462.17050	0.5
465.21710	0.8
467.23306	0.6
475.19983	10.6
476.20660	1.2
493.21167	100.0
494.21579	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38080	5.1
59.01253	78.3
62.47428	5.3
70.97543	10.6
71.01243	24.5
72.99201	5.8
73.02812	13.4
85.02838	7.1
87.00755	14.7
89.02341	16.3
96.95914	6.2
101.02312	23.0
113.02298	8.0
166.25609	4.9
172.55176	5.2
179.09946	5.0
213.09134	5.2
227.12642	8.9
265.70947	5.5
389.18143	15.3
407.19177	11.3
437.14584	8.9
449.20319	100.0
450.20782	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	493.1143
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.94456	0.4
59.01250	2.1
63.02277	0.7
65.00202	2.0
71.58151	0.5
71.58606	0.6
78.95789	0.6
80.37653	0.4
83.01257	1.7
93.03326	0.4
96.95916	2.6
105.03294	0.4
107.01263	4.2
121.02831	0.7
123.00700	0.5
124.75755	0.4
125.02367	1.0
132.02109	0.6
133.02847	13.6
135.04445	0.5
149.02370	2.6
151.00264	8.2
152.00735	0.5
161.02354	0.5
171.04460	0.6
171.10167	0.7
175.03932	3.7
179.03380	0.4
182.03694	0.4
183.04474	0.8
185.02426	0.5
185.06039	0.4
191.05579	0.5
192.95877	0.4
198.03062	0.6
199.03940	4.3
201.01895	1.1
211.03998	0.9
213.05507	1.0
214.98601	0.5
215.03468	0.6
217.04950	2.2
223.03893	0.6
227.03514	2.0
239.03589	0.5
241.05023	0.9
243.03015	1.5
255.02979	24.1
256.03735	27.4
257.04190	2.3
283.02484	44.5
284.03250	72.8
285.04028	100.0
286.04355	7.1
298.04639	0.6
299.02014	0.9
299.05304	0.6
300.02698	1.1
313.03522	0.8
314.04340	0.5
315.05157	0.6
326.04193	1.3
327.05014	1.0
475.10318	1.9
493.11417	12.2
494.11639	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2734
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
59.01255	1.8
59.36611	0.5
60.99183	0.7
67.01755	1.5
69.03327	1.0
69.31628	2.8
69.32050	1.8
71.01260	0.6
71.02357	0.4
78.95778	100.0
87.00749	2.0
93.03337	9.6
94.03683	3.0
94.16058	0.4
96.95911	2.5
96.96834	7.8
111.04413	1.3
117.55512	0.4
133.02843	0.5
134.03618	0.9
135.04385	1.8
136.04785	0.5
137.02234	0.5
140.01065	0.9
152.99487	18.3
171.00560	20.5
173.04482	6.6
174.04802	3.2
191.05551	3.8
192.05865	1.2
195.13843	2.3
214.04793	1.1
229.75160	0.4
277.21677	2.6
295.22787	18.6
296.23126	1.6
331.26627	0.5
418.18555	0.5
418.23782	1.9
492.19864	4.8
492.27258	74.8
493.27676	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	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
61.76145	0.7
62.42937	0.6
66.27555	0.6
71.01242	0.8
71.28181	1.0
71.28519	1.0
78.95772	100.0
85.02827	0.9
87.00753	1.6
88.48627	0.7
92.87326	0.8
93.03329	5.5
94.03668	1.3
96.95878	3.2
96.96825	7.1
122.40189	0.7
126.21130	0.7
132.02008	1.1
135.04391	2.2
136.04764	0.8
136.45868	0.8
140.01079	2.7
152.99480	17.9
160.01556	1.2
171.00543	17.3
171.10156	3.4
173.04488	1.5
174.04764	0.9
191.05540	13.5
192.05907	4.3
195.13832	5.7
196.03687	3.9
214.04764	2.0
277.21725	7.5
295.22772	31.8
296.23099	2.9
311.22470	0.7
338.44177	0.7
352.07590	0.9
416.23569	0.7
418.23798	1.2
492.27283	73.4
493.27634	8.6
505.23376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.2
56.74466	0.1
57.03306	0.1
58.00472	0.2
59.01249	4.5
69.03307	0.1
69.87337	0.4
71.01254	4.0
72.99169	0.2
73.02812	0.8
78.95779	0.3
83.01252	0.5
85.02817	1.0
87.00737	0.5
89.02314	3.2
91.03870	0.1
91.20316	0.1
95.01244	0.3
97.02823	0.2
98.19789	0.1
99.00723	0.3
101.02322	3.7
102.02711	0.1
103.03902	0.2
113.02333	1.7
115.03860	0.1
119.03391	0.9
125.02319	0.2
131.03416	0.2
133.04930	0.4
143.03412	0.4
152.99489	0.7
157.04987	0.2
161.04469	1.5
161.68280	0.1
179.05513	0.4
202.64169	0.1
235.08224	1.8
253.09276	12.6
254.09653	0.6
255.23274	100.0
256.23621	8.5
258.78162	0.1
269.24539	0.1
308.09650	0.1
409.23566	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3015
Annotation	Lemnabourside B
Peak:m/z	Relative Intensity
57.03316	1.1
59.01249	3.3
65.03843	0.3
67.01764	1.4
67.05394	0.6
67.35942	0.2
68.99680	0.6
69.03329	22.9
70.03669	0.3
71.01255	17.6
71.58514	0.4
72.01585	0.3
78.95797	0.4
83.04897	1.0
85.02835	0.5
87.00769	0.6
93.03329	2.4
95.04900	7.2
96.95891	1.8
97.02832	2.3
97.06473	6.3
99.00743	0.4
106.04128	0.6
109.02846	2.5
111.04429	0.7
121.06483	0.5
123.04404	1.0
128.44617	0.2
128.45576	0.2
134.03664	0.3
135.04401	0.3
137.09630	0.4
150.28938	0.2
167.14337	2.8
173.04488	1.3
191.05530	0.4
193.16025	0.4
211.16989	0.7
215.81592	0.2
219.17596	0.3
245.15346	0.3
261.18643	0.4
265.21744	2.0
273.96970	0.2
291.23248	0.7
305.24878	0.4
306.97290	0.3
307.22830	1.1
309.24295	0.3
310.21082	0.3
311.21347	0.7
323.26062	0.5
325.23935	0.4
333.24365	0.3
341.24796	1.2
343.26532	0.3
351.25198	0.3
358.94800	0.2
359.25949	5.3
360.26273	0.8
367.26282	0.4
375.24670	0.4
375.29074	5.5
376.29266	0.5
377.27042	0.4
385.27487	2.3
386.27707	0.3
403.28574	8.2
404.28766	1.0
411.28958	0.3
429.30215	3.1
432.96146	0.3
491.30148	100.0
492.30487	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	491.299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83517	0.3
59.01251	11.1
59.28540	0.2
78.95779	0.9
99.92458	2.9
134.33659	0.3
152.99513	0.8
167.18317	0.3
177.12799	0.5
183.13831	17.1
184.14154	0.9
184.73807	0.3
195.13838	26.5
196.14209	1.6
211.13322	1.1
213.14903	100.0
214.15253	6.3
219.09973	0.4
223.13080	2.9
235.13123	6.1
236.13403	0.6
237.10960	0.4
267.12128	3.8
279.12125	6.6
279.15018	0.6
279.23282	1.2
280.12396	0.5
287.82138	0.3
295.14151	0.6
345.73456	0.3
409.29602	32.9
410.29953	3.8
431.27682	0.6
474.20840	0.6
491.29877	8.5
492.21857	1.2
492.30072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48840	0.6
57.03313	0.8
58.00474	1.3
59.01252	29.1
59.84784	0.5
65.84739	0.5
69.03290	0.6
69.93484	2.8
71.01255	20.5
72.99177	1.4
73.02824	1.3
83.01263	1.4
85.02835	3.5
87.00757	1.7
89.01817	1.1
89.02325	14.4
93.03345	0.6
95.01283	1.1
96.95882	6.3
97.02831	0.6
99.08023	3.0
101.02325	8.2
107.04906	1.9
109.98914	0.6
113.02344	5.7
119.03378	1.2
119.04932	1.7
125.09630	1.3
127.11167	0.9
129.09087	1.4
135.04395	4.7
139.11153	1.0
161.04440	0.7
165.05455	1.4
165.12852	1.0
171.10196	2.1
173.04488	0.8
183.13765	3.1
185.11839	1.5
191.05522	3.7
193.12395	1.5
194.60187	0.6
197.11699	0.9
199.13348	0.9
210.04572	0.7
211.13336	25.0
212.13571	1.0
229.14389	7.4
280.07352	0.9
292.07425	0.7
293.21249	8.8
295.09985	1.2
307.09836	2.0
311.22107	4.7
329.23328	46.0
330.23691	4.0
365.23206	0.6
372.15622	0.9
431.26700	0.8
449.27603	0.9
461.12469	0.6
491.28629	100.0
492.22360	1.0
492.29053	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	491.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65516	0.5
55.01756	0.9
57.03317	1.9
58.00464	1.7
59.01247	12.2
61.48071	0.4
65.03843	0.5
69.03322	1.7
71.01250	14.1
71.04896	0.8
71.21214	0.9
72.99182	1.6
73.02811	7.7
75.00755	0.7
78.95810	0.4
79.95634	0.7
81.03329	1.9
83.01260	2.1
83.04893	2.1
84.02036	1.0
85.02821	8.2
87.00754	1.7
89.02305	2.2
90.15821	0.4
93.03334	2.6
95.01244	2.0
96.95883	5.8
97.02833	2.2
97.06448	0.9
99.00775	1.7
99.04392	7.9
99.08000	2.5
101.02321	10.5
109.02833	0.6
110.03642	0.7
111.00743	0.4
111.04404	1.7
113.02316	6.7
119.03383	0.9
119.04919	0.7
123.04383	0.7
124.01519	0.8
125.02338	2.6
125.09599	2.8
127.03880	0.5
127.07607	0.5
127.11196	3.2
129.09114	1.1
136.01508	0.5
139.11172	1.9
145.02809	1.1
151.03877	0.7
151.11246	0.4
153.12732	1.6
155.10654	0.5
155.14326	1.4
161.04446	3.6
163.03822	0.4
163.11159	1.0
165.12758	0.8
167.14293	1.1
171.10173	25.2
172.10533	1.5
173.04485	0.9
180.06593	0.8
181.12245	7.9
183.13838	3.6
185.11641	0.6
185.15329	0.4
191.05522	14.7
191.14424	0.5
192.05949	0.6
193.12265	1.6
199.13335	4.9
209.11734	2.3
211.13316	23.4
212.13708	1.5
223.13391	0.9
229.14394	40.7
230.14790	1.7
235.13412	2.0
253.14499	2.5
257.11697	0.5
287.22375	2.1
293.21237	4.4
299.12723	0.9
311.22256	4.2
313.23911	2.1
329.23300	70.2
330.23590	6.8
371.24353	3.5
371.28784	0.6
391.19635	2.4
401.25436	1.8
431.26425	6.2
432.26666	0.8
449.27545	3.2
473.27148	0.7
478.23221	1.3
491.28558	100.0
492.22531	1.3
492.28915	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	491.2864
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.88497	0.4
55.01749	0.9
57.03316	0.9
58.00466	1.3
59.01254	29.8
60.07827	0.4
63.96242	0.4
68.99693	0.4
69.03321	0.5
69.66393	2.1
71.01254	16.6
71.96419	0.4
72.99181	1.4
73.02824	4.9
83.01273	2.3
85.02816	5.7
87.00745	1.4
89.02319	8.2
93.03359	0.6
95.01291	1.4
96.95898	1.8
99.00751	0.7
99.08041	0.4
101.02332	10.0
113.02351	5.0
119.03384	2.3
125.02306	0.4
125.09651	0.8
127.11153	0.7
141.35118	0.4
145.02892	0.4
147.04422	0.7
161.04442	0.5
165.12769	0.4
167.14388	0.5
171.10225	1.4
183.13788	0.7
191.05562	3.3
192.98155	0.4
209.11870	0.4
211.13354	5.4
229.14377	3.7
263.92075	0.4
274.67560	0.4
287.22333	4.4
293.21204	7.8
311.22293	4.2
329.23358	9.8
330.23642	0.7
431.26627	2.3
449.21857	0.6
449.27502	3.3
473.27948	0.6
491.28629	100.0
492.22791	1.5
492.28983	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	491.2656
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01267	0.7
64.88769	0.4
66.03342	1.1
71.02369	3.9
78.83119	0.3
82.01599	1.3
83.02370	0.3
97.00262	0.4
98.01087	0.8
99.01846	0.7
101.22884	0.3
110.03442	1.5
111.01859	0.7
113.07077	0.9
115.08647	12.4
116.04929	1.7
116.09093	0.3
118.06508	4.4
125.07104	3.4
126.03032	0.4
126.05462	1.9
141.06584	4.6
146.06009	10.3
147.06339	0.5
152.08170	1.4
153.06580	1.3
153.08975	0.5
154.07428	0.4
155.08224	0.4
155.84303	0.3
157.05240	0.5
163.08647	1.1
164.09422	0.5
168.07669	1.0
169.13345	0.8
170.09256	2.7
173.07111	1.8
174.05524	0.5
179.11813	4.4
189.06511	0.7
194.12943	0.7
196.14435	0.9
197.12881	0.9
200.10684	1.6
202.12325	1.0
212.13980	0.4
214.15559	4.8
216.07657	0.5
217.13388	1.4
222.12506	0.8
224.13948	0.5
227.11871	3.0
228.10234	2.9
229.66020	0.4
240.07719	1.5
240.13438	1.0
244.14528	0.7
245.12874	3.2
248.10681	0.6
251.15193	0.4
262.15613	3.9
269.16147	0.9
276.10129	0.6
299.17654	1.2
310.15628	0.5
326.18713	6.1
327.19278	0.5
344.16068	0.4
344.19678	2.9
345.20157	0.4
491.26599	100.0
492.26898	14.1
492.34085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58105	0.6
52.48775	0.5
52.72799	0.5
59.01249	100.0
60.01580	0.9
67.49100	0.5
69.86972	1.7
69.87389	1.5
71.01250	13.4
71.08315	0.5
72.01517	0.5
72.99180	0.7
73.02814	15.9
75.00747	0.9
83.01252	5.7
85.02811	2.8
87.00750	1.6
89.02317	4.4
96.95904	2.3
97.02808	0.8
99.00793	0.6
99.97825	0.5
101.02313	17.7
113.02307	6.7
114.03692	0.6
119.01176	0.6
119.03388	2.4
125.02346	0.6
128.48349	0.7
131.03439	1.1
142.95332	0.6
143.03391	2.9
149.04498	2.5
153.09122	4.4
161.04437	7.0
164.87093	0.6
171.10309	0.7
203.05615	0.8
209.15398	5.2
221.06598	1.3
225.05132	1.5
227.16534	1.1
229.37970	0.5
287.22580	0.8
371.20700	5.6
372.21164	0.8
389.21814	1.6
431.22391	8.0
432.22824	0.7
449.27740	1.7
491.28577	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63403	0.4
59.01249	100.0
60.01577	0.7
61.01723	0.4
70.60808	0.9
70.61176	0.7
71.01257	2.7
72.06050	0.4
73.02827	1.1
77.15463	0.4
78.95760	0.4
85.02823	1.0
87.00748	0.8
89.02319	1.3
96.95882	5.2
101.02290	2.2
112.79332	0.4
113.02344	1.5
119.03383	0.7
119.04919	0.5
161.04474	0.5
169.96539	0.4
227.12874	0.4
227.16571	0.4
230.57253	0.4
246.00551	0.4
276.76099	0.5
284.22119	0.4
287.15091	0.8
312.16919	0.4
348.95483	0.4
371.20624	0.7
374.15701	0.4
389.21741	3.6
407.87628	0.4
431.22839	2.4
431.64896	0.4
447.24353	0.4
491.20850	0.5
494.29865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07827	0.3
55.01753	0.7
57.03317	1.0
59.01247	100.0
60.01574	0.8
67.44354	0.3
68.25385	0.4
69.48225	3.0
71.01247	14.7
72.99180	0.6
73.02811	4.9
75.00751	0.6
78.56175	0.3
79.95605	1.1
83.01260	1.9
85.02815	5.4
87.00736	3.5
89.02307	3.9
91.62898	0.3
95.01263	1.0
96.95881	13.3
96.96494	0.7
97.02800	0.4
99.00744	1.8
101.02312	11.3
101.11765	0.4
101.62484	0.3
108.36333	0.4
113.02319	6.6
119.03392	1.6
125.02312	0.4
143.03459	1.1
159.02853	1.0
161.04457	7.7
165.12727	2.4
175.25716	0.4
179.05527	0.9
203.05534	3.6
209.15491	1.3
227.16496	2.6
256.52625	0.4
276.15240	0.4
287.14432	1.1
339.10306	0.4
371.20682	13.0
372.21326	0.6
389.21774	10.1
390.22195	1.1
400.14880	0.4
431.22711	15.9
432.23404	1.3
491.10522	0.4
491.27542	0.8
492.10669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.9
71.58742	1.1
76.40755	0.8
78.95774	20.8
83.94021	0.9
85.71285	0.8
96.95957	1.3
96.96841	1.4
109.94685	0.9
120.96857	3.4
138.97926	5.2
152.99500	19.1
195.00578	6.1
213.01645	8.4
242.60948	0.8
277.21725	100.0
278.22034	8.8
300.65964	0.8
330.33710	1.0
403.05908	0.9
409.17084	1.5
434.88846	0.9
473.23096	30.9
474.23526	3.1
490.98010	0.9
491.23886	5.8
491.33896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91220	0.2
57.03329	0.6
59.01248	48.9
60.01567	0.3
60.34757	0.2
60.99184	0.3
68.78146	0.2
69.03342	0.2
69.71765	0.9
69.72186	0.5
71.01255	1.6
73.02813	3.9
83.01251	1.1
85.02798	0.3
86.35057	0.2
97.06461	0.4
98.20510	0.4
99.04391	1.1
101.02312	1.8
109.06493	0.3
113.02343	0.6
119.94916	0.2
125.02382	0.3
139.11093	0.2
140.40939	0.2
155.03465	0.2
165.11476	0.2
165.12656	1.0
167.10699	0.6
172.96565	0.2
189.12718	0.2
207.13847	3.7
208.14148	0.2
209.11768	4.3
210.12146	0.3
225.14897	7.0
226.15161	0.6
227.12828	29.5
228.13123	1.9
243.12300	1.1
246.08928	0.2
251.12839	1.9
269.13925	8.1
270.14359	0.5
287.14981	100.0
288.15320	7.4
293.13904	0.8
311.15009	0.9
329.16058	2.4
473.20233	0.3
491.21237	5.0
492.21637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72540	0.6
57.03326	0.6
59.01245	65.3
60.01577	1.0
62.56096	0.5
69.03308	0.6
71.01257	3.5
71.44932	1.0
73.02820	3.9
83.01241	1.1
85.02820	4.1
89.02306	0.8
95.01259	0.7
96.95902	1.4
99.04362	1.2
101.02325	3.7
109.06463	0.8
113.02313	4.8
119.04890	1.3
125.02326	0.8
139.73058	0.6
143.03383	1.7
161.04404	1.2
163.03825	0.6
165.12648	1.3
166.04861	0.6
184.78992	0.7
189.12791	0.6
207.13846	4.2
209.11752	5.8
225.14876	13.4
227.12817	36.3
228.13147	1.8
237.64510	0.7
237.68864	0.6
239.77206	0.7
251.12848	2.4
269.13892	14.7
270.14319	0.7
281.45526	0.6
287.14969	100.0
288.15329	7.8
293.13840	1.3
311.15094	1.2
329.16000	3.9
491.21204	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24952	0.6
59.01245	5.1
60.01558	0.5
60.99178	1.4
67.01759	6.0
69.03330	1.9
71.01265	3.1
71.38293	1.3
78.25039	0.5
78.95782	13.6
78.96206	0.6
81.03346	1.7
82.71439	0.6
83.01292	0.6
83.04887	0.7
85.02818	2.7
87.00749	7.6
93.03338	32.0
94.03698	0.8
96.95909	2.0
96.96828	1.0
99.00742	0.9
100.33833	0.5
105.07538	0.6
108.02051	2.5
109.02831	1.3
111.00777	0.9
111.04398	4.1
113.02445	0.6
118.96479	0.5
121.02842	2.2
122.03614	1.4
123.00806	0.5
124.01559	7.8
125.02359	4.4
126.03136	3.2
127.03914	1.4
129.01831	1.1
133.02835	3.6
134.03642	16.8
135.04419	100.0
136.04710	3.9
137.02361	2.2
150.03148	4.2
151.03922	15.8
152.04253	1.2
152.99487	2.8
160.01610	1.7
161.02315	1.5
162.03084	1.3
163.03922	0.9
167.03477	1.0
171.00600	1.9
171.10184	2.6
173.04482	10.1
174.99161	1.4
177.01866	1.2
177.05600	0.7
178.02669	1.1
179.01822	1.2
179.03419	23.6
180.04109	2.9
189.05550	0.7
191.05540	29.9
192.05850	1.1
194.02100	0.7
201.11237	1.3
241.09338	0.9
255.09338	0.6
257.07117	2.1
263.09290	0.6
271.05115	0.7
277.21686	2.7
289.07013	0.7
290.08081	2.6
295.22794	5.9
298.07352	1.2
299.08170	2.4
299.12866	5.5
306.07434	1.0
307.08255	6.6
308.08994	26.4
309.09326	2.4
311.22229	2.3
317.14084	1.2
323.07767	0.9
333.20554	1.8
351.07281	1.8
352.07980	16.4
353.08356	1.3
391.17819	0.7
409.19000	19.8
410.19504	1.8
491.19098	4.3
492.27292	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	491.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01243	2.4
60.99172	5.4
65.03812	0.6
67.01753	13.2
69.03319	4.8
69.59081	2.1
69.59500	2.1
71.01244	4.9
71.04844	0.5
78.95766	12.1
81.03323	3.1
83.04871	2.2
85.02814	2.2
87.00745	21.0
89.92462	0.9
93.03328	100.0
94.03656	3.2
96.28451	0.6
96.95876	1.8
97.02809	0.7
99.00744	2.4
99.04380	2.1
108.02056	1.3
109.02808	1.6
111.00771	1.1
111.04389	14.1
112.04731	0.6
113.02330	1.9
115.03914	1.4
121.02831	1.3
122.03662	0.6
124.01543	3.3
125.02317	1.0
129.01794	1.5
133.02861	1.5
134.03622	15.6
135.04413	35.3
136.04811	1.1
137.02374	0.7
143.03281	0.5
145.02866	0.7
149.02309	0.9
150.03096	1.7
151.03880	5.6
152.99458	2.5
155.03401	3.1
161.02315	3.0
162.03119	7.9
164.55841	0.6
171.00529	2.2
173.04460	59.4
174.04787	1.4
177.01936	0.7
179.03413	8.6
180.04050	1.1
186.96936	0.8
188.97084	1.5
191.05536	13.1
215.05615	0.8
293.21155	0.7
294.21518	0.9
299.12857	2.4
306.07330	0.7
307.08276	3.0
308.08975	10.7
317.13898	4.2
351.07193	2.4
352.07974	6.4
491.19217	35.5
491.25842	1.9
492.19659	5.3
492.27356	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	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25382	0.4
57.03321	1.4
59.01250	2.7
60.99178	4.8
64.84601	0.4
65.03835	0.4
67.01765	14.0
69.03318	3.8
70.82021	1.1
71.01252	5.1
73.02824	0.4
78.95776	40.4
81.03323	2.2
83.04895	2.1
85.02820	1.5
87.00751	18.5
90.08622	0.4
93.03339	100.0
94.03687	3.2
96.95899	1.3
96.96843	2.7
97.92967	0.4
99.00754	1.9
99.04405	1.5
101.02306	0.5
105.03347	0.6
109.02847	0.9
111.04403	14.3
112.08593	0.4
113.02336	1.4
115.03893	0.8
129.01857	2.7
132.02104	0.4
133.02843	1.3
133.94241	0.4
134.03638	10.4
135.04425	6.3
137.02367	1.1
139.11160	0.7
139.93739	0.4
143.03400	0.9
145.53726	0.4
152.99495	6.3
155.03394	3.6
160.01616	0.5
162.03053	0.6
171.00554	6.9
172.76141	0.4
173.04472	65.1
174.04782	2.2
177.01807	0.4
178.02603	1.0
179.03302	0.5
191.05553	5.8
226.94157	0.3
236.17299	0.5
273.15097	1.9
275.19983	0.4
276.20520	0.4
293.21371	0.4
294.21512	1.3
299.12888	0.9
317.13959	5.1
351.07312	0.8
447.27957	0.4
491.19217	38.9
491.26175	9.1
492.19565	5.2
492.27283	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01251	55.0
60.01580	0.6
60.99184	0.4
64.36551	0.2
65.40209	0.2
71.01259	3.1
71.39169	0.3
73.02821	4.2
79.95606	0.3
81.04371	0.3
83.01258	1.7
85.01283	0.2
85.02811	0.5
87.00745	0.6
89.02315	0.6
95.77808	0.3
96.95885	3.3
97.06485	0.4
99.04411	1.5
101.02332	2.6
108.03410	0.3
109.06476	0.5
113.02332	1.0
119.03328	0.2
119.04929	0.3
121.06524	0.3
125.02357	0.5
135.04404	1.5
139.11185	2.1
143.03407	0.4
161.04561	0.4
165.12706	1.1
166.04968	0.4
167.10701	0.6
179.03459	1.6
181.12257	1.7
183.10201	3.0
189.12691	0.4
199.13336	1.0
207.13820	2.6
209.11781	4.4
225.11308	1.0
225.14914	6.5
226.15149	0.3
227.12840	28.9
228.13249	1.0
233.11684	0.4
243.12344	14.7
244.12674	0.8
251.12823	1.6
269.13947	9.3
270.14197	0.7
285.13501	0.5
287.14999	100.0
288.15323	5.3
293.13907	0.9
311.15018	1.0
329.16028	2.2
371.16928	0.3
447.18475	0.5
491.21292	5.0
491.27878	0.2
492.21515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97883	2.1
59.01248	100.0
60.01575	2.0
63.21843	1.1
71.01248	12.5
71.58222	1.9
72.99174	6.1
73.02816	4.7
74.15128	1.2
74.98956	6.1
75.00775	1.3
83.01245	1.8
85.02810	5.9
87.00748	3.6
87.13586	1.2
89.02322	3.6
91.44029	1.5
93.03326	2.7
96.95883	24.4
98.95440	1.4
101.02316	7.0
108.02058	2.1
109.02821	4.5
113.02305	4.2
116.07007	1.4
125.02312	1.8
126.87985	1.1
133.02859	1.3
135.04424	2.5
136.99042	3.0
139.11185	10.0
152.01015	2.1
153.01793	6.2
155.42880	1.1
160.01579	1.5
161.02278	1.8
161.04530	1.9
163.11192	1.5
169.22847	1.1
173.04480	1.8
181.12260	9.3
183.10173	15.4
191.05499	5.1
199.13377	8.2
225.11205	6.9
243.12331	86.5
244.12717	5.8
284.03226	1.5
285.03809	1.9
286.03943	2.6
287.15051	1.9
287.97021	1.3
292.54697	1.1
312.50751	1.3
371.20667	1.5
442.55545	1.3
447.18509	4.1
449.27646	1.5
491.11121	4.3
491.25061	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06900	1.5
57.03321	2.3
59.01252	93.6
61.98684	1.6
69.03384	1.7
71.01256	18.5
71.58409	1.6
71.58794	2.2
72.99197	2.9
73.02823	11.7
75.00776	1.9
79.95597	6.0
83.01254	4.3
83.04887	2.3
85.02840	5.8
85.08131	1.5
87.00758	4.5
89.02310	4.8
96.95892	67.7
98.95502	2.7
99.00788	2.3
101.02300	11.0
102.43790	1.7
103.23537	1.6
113.02347	5.9
114.95219	1.6
120.99509	2.2
121.02871	2.1
125.09592	2.9
129.28090	1.6
133.02774	2.2
134.03294	1.9
135.04373	3.0
137.09615	2.4
139.11171	19.6
155.10664	6.1
161.04454	3.4
165.09123	1.7
173.09650	2.4
177.01868	3.3
181.12312	10.8
183.10204	30.1
186.67276	1.6
187.09645	2.7
191.05591	2.9
199.09666	4.8
199.13368	8.9
209.11757	3.8
211.03926	2.4
223.03908	6.4
223.91469	1.7
225.11301	5.3
225.14943	7.7
227.12671	2.0
239.03365	3.1
240.04141	9.7
241.05020	24.7
241.10699	2.0
243.12350	100.0
244.12698	3.1
245.36391	2.3
267.03000	40.9
268.03372	4.5
269.14063	8.8
285.04031	27.4
285.13196	3.2
286.04248	5.2
286.60315	1.7
287.04797	2.1
287.15057	5.3
329.19162	2.2
337.04074	3.3
355.05090	3.3
429.08856	2.7
447.09183	19.0
447.18857	6.1
448.09317	2.7
472.42581	1.8
491.10425	3.9
491.19839	9.5
491.25317	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54109	5.6
66.83901	7.0
67.85887	6.0
70.86353	14.1
73.06567	5.3
87.00757	16.1
89.23917	5.6
227.00996	6.4
258.37845	5.8
290.39496	6.0
484.87604	8.4
491.13171	100.0
492.13239	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	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75214	1.4
57.03305	1.8
59.01250	100.0
60.01577	3.0
61.98695	4.9
69.03315	2.3
71.01252	26.6
71.12147	2.3
71.12466	1.7
72.99155	4.1
73.02814	23.9
75.00729	1.8
77.66032	1.4
78.95773	1.9
79.95567	1.7
82.88758	1.7
83.01267	8.5
85.02817	5.9
87.00746	5.8
89.02318	6.2
96.95888	13.5
97.02785	1.5
101.02325	24.6
111.68687	1.4
113.02316	9.7
115.03765	1.3
119.03358	3.0
143.03383	1.6
149.00874	2.1
149.04439	2.4
161.04456	7.9
179.03442	1.9
227.12749	3.3
287.14838	5.4
344.38092	1.6
431.27060	2.9
449.27295	3.0
491.22333	2.3
491.29587	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68151	4.0
50.75993	4.3
52.99119	4.5
59.01253	9.2
61.81636	4.6
71.01249	14.0
71.56969	9.3
87.00761	18.0
89.02312	25.6
96.95892	12.9
113.02361	4.8
125.66080	4.3
131.03362	7.0
135.04424	9.0
146.45938	5.4
149.04468	100.0
168.17264	4.2
205.40616	4.3
239.05351	6.2
329.40515	4.9
341.10861	5.8
455.15253	8.7
491.13315	68.9
492.13489	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	489.3585
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
56.22645	0.4
56.76265	0.3
57.03326	6.2
59.01252	6.3
61.85141	0.3
71.01270	0.9
71.56773	0.4
78.95788	0.5
87.37946	0.3
96.95866	0.5
101.73229	0.4
113.02343	0.9
113.09575	0.4
127.11185	0.6
129.78218	0.4
132.06897	0.3
167.53981	0.3
217.00249	0.4
249.22255	1.0
254.36482	0.4
293.21216	1.9
301.51678	0.3
302.41931	0.4
305.70377	0.4
338.39951	0.4
429.32138	2.9
430.32217	0.5
431.31851	2.9
471.34897	0.6
489.35834	100.0
490.36185	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	490.2573
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
50.04041	0.3
59.01232	0.6
61.69962	0.2
62.96270	0.4
67.01751	0.3
70.59499	0.5
70.59834	0.4
71.01254	0.3
76.50970	0.2
78.95770	100.0
85.02828	0.6
87.00777	0.6
93.03333	2.4
94.03676	0.3
96.95893	0.6
96.96831	7.7
108.02076	0.2
111.04399	0.3
124.01563	0.4
125.02446	0.3
133.02777	0.3
134.03601	0.6
135.04427	3.7
136.04741	1.1
137.02382	0.3
140.01054	0.4
150.97855	0.3
151.03827	0.3
152.99480	16.4
160.01500	0.6
161.02339	0.5
171.00540	19.1
173.04448	1.1
178.02522	0.3
179.03413	1.0
191.05527	8.0
192.05853	0.5
214.04707	0.6
299.12695	0.4
308.09070	0.4
309.09335	0.4
337.04474	0.3
352.08057	0.5
353.08420	0.6
375.81522	0.3
391.10205	0.3
416.22131	1.5
420.78464	0.2
490.25717	58.1
491.19003	0.5
491.26053	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	489.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03323	1.5
58.00465	1.9
59.01250	71.3
60.01579	1.2
61.01683	0.5
69.03342	0.7
70.75538	1.5
71.01252	25.2
72.99184	2.6
73.02814	2.4
78.95802	0.6
83.01244	2.4
83.14367	0.5
85.02829	5.6
87.00748	3.0
89.02319	15.2
90.02641	0.5
95.01266	2.1
96.95905	2.3
97.02816	0.7
97.06475	0.9
99.00762	1.0
101.02325	12.8
113.02322	7.9
119.03368	5.1
128.85976	0.4
130.43723	0.4
131.03387	0.9
133.02904	0.6
134.03635	0.6
135.04448	0.9
137.09627	0.5
143.03314	0.7
148.98775	0.5
149.00850	1.0
161.04486	1.1
163.11211	1.3
165.12717	2.4
171.10167	1.4
172.96693	1.2
179.03368	0.5
181.12320	0.6
183.13869	0.5
193.15623	0.6
209.11794	1.1
211.13330	1.6
217.12291	0.7
223.13364	0.9
227.06781	0.7
227.12776	1.1
229.14407	1.6
247.20673	2.2
261.11240	0.9
291.19629	12.9
292.19971	1.2
309.20700	8.8
310.20972	0.5
327.21884	2.9
369.19061	0.6
387.20142	1.0
429.24854	1.4
447.25833	1.0
471.25964	0.8
489.27032	100.0
490.27362	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	489.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
58.00493	0.4
59.01247	100.0
59.63193	0.3
60.01584	1.2
61.98692	0.4
63.30668	0.3
65.76666	0.3
66.84259	0.3
68.94333	0.4
68.99485	0.5
69.03322	0.9
69.83305	2.2
71.01250	6.4
72.99181	0.9
73.02819	2.2
75.00735	0.4
79.95630	0.8
83.01271	1.3
85.02818	2.3
85.99972	0.4
86.02343	0.6
87.00761	1.3
89.02338	1.8
95.01278	0.4
96.00793	0.5
96.91882	0.4
96.95884	3.0
97.02816	0.8
97.06517	0.4
98.19784	0.7
99.00767	1.0
101.02317	3.5
111.00780	0.5
112.98589	0.5
113.02316	2.5
113.03457	1.0
113.05990	0.8
119.03375	0.7
136.73203	0.5
140.33058	0.4
155.66946	0.4
161.04437	0.8
171.10150	1.0
172.96652	0.8
197.02058	0.4
229.14365	0.7
274.99960	0.7
283.06747	0.5
285.08038	1.5
285.20685	0.7
309.20575	0.7
327.21933	1.1
357.19299	0.5
387.20322	0.5
417.17105	4.8
429.12183	4.5
429.25006	7.8
430.12802	0.7
430.25470	0.6
447.26025	4.3
449.73306	0.4
489.16010	3.4
489.27002	7.8
490.15750	0.5
490.27481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.01564	0.3
57.03322	1.1
58.00465	0.8
59.01249	23.4
69.03326	0.5
71.01250	12.9
72.01575	0.6
72.99175	1.4
73.02803	1.4
77.44937	0.3
78.95766	0.9
80.02546	0.6
83.01258	1.1
83.04879	0.7
85.02832	3.2
87.00745	1.8
89.02313	12.0
95.01253	1.1
96.95892	1.5
97.06478	0.4
99.00781	0.4
101.02325	6.3
103.23948	0.4
109.02837	0.4
109.06467	0.8
111.08039	1.2
112.98728	0.5
113.02323	4.8
119.03374	4.4
125.09634	0.4
127.11161	1.0
129.09064	0.5
133.02850	0.6
143.03394	1.0
149.04402	0.7
149.09579	0.4
151.11185	0.4
153.09129	0.6
153.12735	3.1
155.10669	0.9
161.04436	0.9
165.12700	0.6
167.10698	0.9
169.12303	0.7
179.05545	1.3
179.10683	0.6
179.14325	1.4
181.12259	2.3
187.07561	1.5
193.15968	0.9
197.11778	1.7
199.13359	0.9
207.13826	1.4
215.06987	0.7
215.12836	1.2
226.11995	0.4
227.12849	0.9
228.13712	0.5
229.19519	0.4
245.18839	0.4
247.20584	3.4
248.20956	0.5
253.18048	0.5
260.06732	0.5
267.19638	0.9
273.18591	1.7
281.21265	1.1
284.03262	0.5
291.19641	18.8
292.20050	1.3
309.20700	100.0
310.21066	9.9
345.30002	1.3
410.30777	0.5
447.26239	0.8
489.27148	11.1
489.34012	1.8
490.27139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23220	0.3
57.03326	0.3
59.01252	100.0
60.01592	1.3
70.35458	1.0
70.35815	0.6
71.01263	2.9
72.99176	0.4
73.02819	1.5
75.29013	0.3
83.01242	0.4
85.02837	1.2
86.01391	0.3
87.00780	0.8
89.02330	1.5
95.01288	0.4
96.95870	2.0
98.19901	0.4
99.00780	0.6
101.02342	2.0
109.02831	0.4
113.02341	2.0
119.03390	0.8
119.04939	0.6
133.02847	0.5
134.93277	0.3
145.02879	0.4
149.00928	0.5
161.04498	0.8
177.01802	0.5
179.03723	0.4
191.05586	0.7
202.34760	0.3
225.14865	0.8
239.21484	0.3
241.10866	0.8
274.21863	0.3
285.04099	2.5
369.19196	3.7
378.99481	0.4
387.20258	3.2
388.20615	0.3
401.18842	0.6
429.21182	2.7
430.21649	0.4
452.88397	0.4
489.10858	0.5
489.21042	1.5
490.23502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75451	0.2
59.01250	100.0
60.01582	1.0
68.00483	0.3
69.65015	1.8
71.01244	1.6
73.02838	0.7
85.02855	0.6
87.00780	0.4
89.02304	0.6
96.95906	1.1
101.02348	0.9
113.02325	0.5
119.03406	0.3
120.53956	0.3
133.02847	0.5
146.50510	0.3
149.00867	0.5
151.00275	0.5
161.04454	0.3
184.38379	0.3
207.13701	0.3
217.27565	0.2
227.03511	0.3
227.06818	0.3
256.03809	0.5
258.72592	0.3
261.05576	0.4
267.16077	0.6
284.03256	7.3
285.03992	9.5
286.04596	0.9
369.19263	0.3
387.20316	1.0
429.21384	0.9
489.10403	8.4
489.23343	0.6
490.10672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01248	100.0
60.01584	1.0
60.57484	0.3
66.32931	0.3
69.58521	1.1
69.58953	0.9
71.01249	3.8
73.02821	1.6
74.40285	0.3
83.01256	0.5
85.02810	1.5
87.00774	0.3
89.02324	0.9
96.95872	0.7
98.20508	0.6
98.63517	0.3
99.00773	0.4
101.02320	2.8
106.64703	0.3
113.02317	1.5
119.03387	0.7
132.47586	0.3
158.15082	0.3
159.02866	0.3
161.03255	0.4
161.04385	1.5
163.11107	0.3
182.03304	0.2
203.05519	0.3
207.13977	0.3
351.18140	0.4
369.19241	1.9
387.20227	7.9
388.20697	1.1
420.62030	0.3
429.21252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.72582	0.2
57.03355	0.2
59.01250	3.9
61.98381	0.2
61.98698	3.4
62.46780	0.2
63.02263	0.3
65.00200	0.9
71.01247	0.6
73.02802	0.4
75.25340	0.1
79.95589	0.4
83.01263	0.8
85.02827	0.2
89.02320	0.3
90.69828	0.2
93.03353	0.2
96.95892	2.3
98.20647	0.3
101.02326	0.3
105.03358	0.2
107.01274	2.1
107.04918	0.2
113.02286	0.2
121.02831	0.4
132.02055	0.3
133.02843	9.1
134.03198	0.3
135.11230	0.1
149.02339	1.8
151.00272	4.8
160.01532	0.5
161.02295	0.2
169.06480	0.3
171.04442	0.4
173.02333	0.2
175.03932	3.7
176.04305	0.2
179.03462	0.2
185.05984	0.3
187.03966	0.2
191.05615	0.2
193.04936	0.3
197.06006	0.3
198.03212	0.3
199.03914	2.6
201.01907	1.1
211.03831	0.2
213.05534	0.7
215.03514	0.5
217.04987	1.7
223.04008	0.4
229.05013	0.2
240.04379	0.2
241.05029	0.8
242.02209	0.2
243.02965	0.8
256.03778	0.4
257.04581	0.4
267.02985	0.2
284.03214	1.7
285.04031	100.0
286.04379	7.6
337.09338	0.2
445.15085	0.2
489.10098	2.0
489.26947	0.5
490.10590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1034
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.95602	0.1
55.31701	0.1
59.01249	6.2
63.02260	1.7
65.00182	1.4
69.37321	0.2
71.57658	0.2
77.65784	0.1
77.70298	0.1
83.01243	1.6
85.60224	0.1
96.95902	0.8
101.02352	0.2
105.03345	0.3
107.01267	3.0
109.02845	0.6
121.02836	0.5
123.00763	0.3
125.02333	0.2
132.02074	0.5
133.02837	5.7
134.03644	1.6
143.04977	0.2
147.00740	0.2
148.01550	0.5
149.02319	1.5
149.99452	0.8
151.00266	5.9
151.03894	0.2
152.00610	0.2
153.59088	0.1
161.02379	0.2
163.00336	0.2
163.04015	0.2
169.01324	0.7
171.04431	0.3
172.05109	0.2
173.02307	0.3
174.03139	0.3
175.03911	1.9
177.01888	0.4
183.04375	0.8
184.05215	0.2
185.02420	0.2
185.05969	0.3
186.03136	0.2
187.03902	0.6
188.04712	0.5
189.05461	0.2
197.05998	0.2
198.03114	0.2
199.03918	2.2
200.04742	0.9
201.01822	0.7
211.03937	1.8
212.04643	0.6
213.05411	0.5
214.02632	0.2
215.03336	0.4
216.04199	0.3
217.04985	1.2
226.02567	0.2
227.03433	2.9
228.04051	0.5
229.05000	0.3
239.03552	0.8
240.04118	0.2
241.04951	0.7
243.02911	0.6
255.02998	1.8
256.03732	5.8
257.04175	0.6
267.02960	0.4
269.04407	0.3
281.04370	0.2
283.02405	1.2
284.03247	82.1
285.03992	100.0
286.04376	7.2
297.04062	0.7
327.05130	1.1
387.20026	0.2
429.08783	0.2
447.09317	0.6
489.10339	79.0
490.10687	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	488.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.5
61.98700	100.0
70.69453	2.7
71.01237	1.0
78.95771	1.8
87.00715	1.0
112.98736	0.8
139.37326	0.9
157.86327	1.3
230.73994	0.9
253.09245	1.7
253.21689	18.1
319.32315	0.8
445.16080	1.0
457.22141	0.8
488.34918	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	489.1032
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
52.79531	0.3
59.01247	3.6
63.02265	1.0
65.00193	1.7
69.59366	2.8
71.01247	0.6
71.44769	0.3
73.08096	0.4
74.46415	0.4
79.95572	0.4
80.45593	0.4
81.73677	0.4
83.01234	1.3
88.96578	0.4
89.02307	0.4
96.95881	5.5
101.02329	0.8
107.01258	3.5
108.02052	1.9
109.02848	3.0
109.45132	0.4
111.00723	0.4
121.02830	3.2
125.02283	0.4
135.00774	1.0
139.03857	0.5
148.01546	1.9
151.00259	14.5
159.04396	0.7
161.02231	0.4
163.00252	4.2
164.01054	0.9
169.01303	1.2
178.99774	7.9
180.00023	0.5
183.04393	0.6
187.03896	0.9
190.99821	0.6
199.03900	1.3
201.05525	0.8
201.11224	0.5
203.03433	0.7
210.75937	0.4
211.03935	2.1
215.03320	0.6
226.02618	1.5
227.03424	4.5
229.04935	1.4
239.03334	0.4
243.02945	10.9
244.03427	0.9
245.04510	2.3
254.02094	2.1
255.02946	29.4
256.03302	2.1
266.02286	0.4
271.02451	58.9
272.02908	4.3
273.03986	1.5
283.02368	2.3
284.03192	0.5
299.02106	1.8
300.02713	100.0
301.03455	57.0
302.03873	3.6
429.24994	0.4
447.09323	3.7
489.10349	65.1
490.10605	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03313	4.1
59.01247	6.4
59.45369	1.0
61.62141	1.1
63.02512	0.9
69.16499	1.0
71.57371	1.5
100.13399	1.1
103.19063	1.0
105.22900	1.0
179.78484	1.1
251.16531	8.2
253.09315	2.4
385.31021	3.7
469.33478	1.6
487.34286	100.0
488.27753	1.9
488.34558	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	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75743	0.2
57.03325	0.3
57.62759	0.2
59.01248	13.1
59.63770	0.2
60.01593	0.9
61.98698	100.0
64.38105	0.2
71.01246	1.1
71.29569	0.4
72.99184	0.2
73.02811	3.1
74.03158	0.4
75.00739	0.3
85.02800	0.5
87.00760	0.3
89.02317	0.4
96.95876	0.7
98.60503	0.2
101.02325	1.0
113.02345	0.6
119.03400	0.3
120.43448	0.2
122.83017	0.2
133.02831	0.2
140.49567	0.2
149.00838	0.2
165.09044	0.2
219.13925	0.4
220.14217	0.4
220.92317	0.2
221.14590	0.3
222.14706	0.2
225.15001	0.3
229.80164	0.2
263.12854	1.5
264.13211	3.0
265.13443	2.2
266.13678	1.6
284.03140	0.2
285.03958	2.1
285.13467	0.6
308.14771	0.2
432.30414	0.2
488.25635	1.0
489.26688	0.3
504.52924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
59.01247	6.2
61.98712	1.1
64.22931	1.0
71.04888	28.3
71.57082	1.4
78.95769	1.7
87.14139	0.9
96.95879	4.6
97.83965	1.0
121.02837	11.9
133.02850	1.1
135.04398	1.9
152.62099	0.9
173.78564	1.2
178.02429	0.9
181.06531	1.3
191.05537	2.4
313.07022	6.0
339.26840	2.3
351.26889	5.3
369.28000	2.1
371.29504	49.8
372.29889	4.5
415.28476	17.0
415.33554	1.5
416.28836	2.1
425.34372	2.2
426.34659	1.1
443.35504	7.0
448.90985	1.1
487.34351	100.0
488.34601	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01252	3.7
61.89541	0.6
61.91438	0.6
62.86525	0.5
68.92844	0.6
71.04884	1.7
73.42733	0.6
83.04914	0.9
84.27131	0.6
96.95892	0.7
98.19600	0.7
109.06467	0.6
135.04449	0.8
160.27824	0.6
407.33234	2.1
423.32794	1.4
425.34265	0.8
427.32251	1.8
443.35486	0.9
467.31598	0.8
469.33212	16.6
470.33466	2.0
487.34283	100.0
488.34689	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	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.76260	0.3
59.01259	1.4
59.65168	0.3
61.63016	0.2
61.98734	0.3
67.28201	0.3
70.06397	0.3
71.58529	0.5
78.95763	1.0
96.95867	2.2
100.03931	0.3
110.99483	0.3
111.10289	0.3
122.81380	0.3
132.57664	0.3
152.91675	2.0
167.90387	1.1
194.92719	2.7
207.56839	0.3
212.93829	0.6
247.72375	0.3
277.21686	1.5
303.05035	0.3
310.66608	0.3
317.88141	0.3
370.66946	0.3
405.13626	0.7
427.10931	1.6
427.28275	0.3
445.12103	0.4
471.47110	0.3
487.34283	100.0
488.34631	13.8
488.41772	0.7
503.92001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3444
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01250	6.8
60.01583	0.5
60.32450	0.4
71.58543	0.4
76.41967	0.4
96.95886	0.8
103.28333	0.4
133.02872	0.4
135.04388	0.8
150.23877	0.4
179.03363	0.4
191.05415	0.4
237.91095	0.5
332.03677	0.4
387.31534	0.4
438.60175	0.4
441.33807	0.7
469.33310	3.2
487.34302	100.0
488.34692	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.5
64.31043	0.3
71.04876	0.9
71.38485	0.6
78.95762	0.3
83.04876	0.7
85.71355	0.3
87.00723	0.4
88.31958	0.3
96.95871	0.7
153.09052	0.3
166.08067	0.3
168.38573	0.3
187.06543	0.3
202.00436	0.3
342.09595	0.3
379.29581	0.3
391.30154	0.4
393.31680	0.8
402.11334	0.4
405.31528	1.4
409.31137	0.4
427.31848	0.9
435.29138	0.9
437.30597	1.5
443.35333	0.7
469.33505	9.2
470.33447	1.4
487.34262	100.0
488.34601	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01249	4.9
60.13949	0.3
60.98890	0.4
60.99177	7.3
61.98671	0.4
63.81469	0.3
64.12112	0.3
69.03335	0.6
70.06015	1.9
71.01236	1.4
73.02839	0.7
73.38175	0.3
82.48403	0.4
83.04880	0.9
87.00739	1.6
88.65631	0.4
96.89194	0.3
96.95874	1.0
97.06446	0.8
98.19765	0.4
101.02328	0.7
102.68860	0.4
112.98660	1.6
113.02300	0.8
114.08440	0.4
125.02324	0.4
133.02831	0.5
134.03609	2.5
135.04453	1.9
137.09578	0.4
141.15660	0.4
161.04466	0.8
174.03317	0.4
177.12738	0.8
178.02690	0.4
179.03430	0.5
234.62967	0.4
256.76288	0.4
318.26419	0.4
343.28595	0.6
355.15427	3.5
389.28409	3.3
405.31717	4.0
406.31912	0.6
407.33347	1.8
409.31195	1.2
423.32663	8.5
424.33115	1.1
425.34290	9.3
426.34753	1.1
439.31885	0.5
487.34286	100.0
488.34616	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70513	0.4
57.03314	0.8
57.33908	0.5
59.01250	100.0
60.01586	1.2
61.03914	0.6
66.26825	0.5
71.01257	8.4
73.02818	9.7
83.01247	3.5
85.02821	1.6
87.00737	1.0
89.02306	3.3
96.95910	1.3
98.19713	0.7
100.37093	0.5
101.02318	12.5
112.12930	0.5
112.98670	0.6
113.02328	3.3
119.03407	1.7
131.03394	1.1
143.03386	1.4
149.04474	1.8
161.04488	3.0
165.09102	4.0
179.03526	0.6
187.11169	2.4
205.12332	1.4
206.44896	0.5
221.06664	0.5
223.13281	0.9
247.13554	0.5
261.11407	0.7
283.15567	0.7
316.94357	0.5
367.17706	0.8
385.18735	2.1
427.19620	3.1
428.20828	0.5
459.47604	0.5
487.25916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.4
59.01251	100.0
60.01597	1.2
71.01252	7.4
73.02828	1.5
80.60490	0.3
83.01267	1.0
85.02815	2.9
87.00755	0.9
89.02311	2.0
95.01231	0.6
95.95123	0.5
96.95894	5.5
96.96835	0.7
97.02828	0.6
98.02357	0.8
98.19828	1.0
99.00747	0.6
101.02314	3.3
104.36440	0.3
111.00787	0.4
113.02333	5.3
119.03433	0.7
128.03503	0.4
136.05231	0.6
138.06807	1.1
138.27245	0.4
139.07520	0.6
147.26770	0.4
149.00800	0.6
151.07523	1.9
152.08336	6.4
153.09119	10.4
154.09531	0.4
161.04442	2.0
166.14000	0.3
171.10310	0.4
179.03508	0.5
179.05693	0.5
179.10648	0.4
205.12280	8.6
223.13361	3.1
243.62650	0.4
267.06866	0.5
267.98303	0.4
353.43399	0.4
367.17557	16.4
368.18115	1.9
385.18750	3.6
386.19394	0.6
399.18896	0.5
427.19705	6.2
487.13071	1.5
487.19751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98420	0.7
55.07772	0.8
59.01249	100.0
60.62413	0.8
61.98695	1.1
70.85441	1.9
71.01238	4.4
72.10676	0.7
73.02822	1.8
73.49271	0.8
74.98968	1.1
75.00745	1.3
79.40656	0.7
83.01252	1.3
85.02835	2.3
85.61359	0.6
85.92392	0.7
87.00771	1.8
87.04394	1.9
89.02322	1.1
96.95895	5.3
101.02327	2.4
103.00263	0.8
112.19231	0.8
112.98720	3.3
113.02357	2.3
135.04434	2.5
136.50766	0.8
149.00818	2.1
179.03487	1.8
463.28064	1.0
478.40247	0.8
487.25192	1.5
487.33493	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36644	0.2
59.01249	100.0
60.01594	1.1
69.41012	0.3
70.91520	0.7
71.01262	1.8
73.02818	3.2
76.49236	0.3
83.01273	0.6
89.02317	0.4
96.95909	1.3
101.02317	2.4
107.04921	0.3
113.02351	0.8
161.04477	0.4
163.11136	0.3
180.74759	0.3
187.11288	0.4
205.12263	1.6
309.70276	0.3
428.07516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03324	2.3
59.01248	100.0
60.01580	1.1
69.57473	4.7
71.01251	16.5
72.99191	1.0
73.02813	21.7
74.28600	0.6
75.00745	0.9
79.95605	7.9
82.21030	0.6
83.01256	7.0
85.02812	3.6
87.00762	2.1
89.02312	6.0
93.03325	0.6
95.01267	0.7
95.95137	1.3
96.95880	27.0
97.02864	0.8
98.19743	0.8
99.00787	0.6
99.04398	1.4
101.02316	24.0
109.02829	3.5
112.98793	0.7
113.02331	6.4
119.03396	3.3
123.00794	2.0
125.02321	0.9
128.03453	1.0
131.03426	2.4
137.09717	0.7
138.03101	1.4
143.03429	2.6
146.06012	1.6
149.04495	2.7
152.01074	1.9
153.01854	3.1
153.09114	0.7
155.03452	1.0
161.04469	6.6
165.09119	9.9
166.99796	2.4
179.03435	0.9
182.02097	6.5
187.11284	2.7
190.04965	0.7
191.05533	4.9
197.04500	10.5
203.05565	1.2
205.12276	3.1
209.11877	0.6
223.13437	2.8
265.14551	1.0
275.02313	1.1
290.04730	2.7
355.06042	0.6
372.11975	0.9
385.18646	1.2
407.13431	1.6
427.19492	4.5
487.13010	7.6
488.12152	7.6
509.06305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.3
58.02854	0.4
59.01262	2.4
60.47031	0.3
67.02885	0.4
69.25549	2.9
69.25954	0.6
71.01268	1.7
71.31091	0.3
72.00789	0.4
72.04431	0.4
72.99171	0.4
74.02337	1.2
75.73738	0.3
82.02853	2.0
83.03248	0.5
83.25449	0.3
84.04432	3.3
85.02843	0.4
85.73932	0.3
86.02321	0.6
87.00745	0.6
89.02326	2.3
93.03354	0.7
96.95895	1.9
96.96903	0.4
97.03944	0.4
98.02324	0.4
99.00784	0.4
101.02335	1.1
101.07082	1.6
102.05489	2.7
107.02421	0.6
109.03972	4.4
112.88171	0.3
113.02326	1.0
117.01876	0.4
119.03368	0.9
119.04918	0.7
125.03458	2.9
126.01868	1.7
127.02149	0.8
127.05028	15.2
128.03433	6.9
128.05392	0.4
135.04424	2.2
144.02953	2.1
145.01395	2.3
145.06094	100.0
146.04517	7.0
146.06483	2.1
161.04393	0.4
163.02425	1.0
163.03862	0.5
179.03415	2.1
179.05548	1.1
191.05550	2.6
246.71030	0.3
341.11078	5.2
487.14029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03321	1.3
58.00447	0.4
59.01251	100.0
60.01587	1.3
61.98709	3.0
62.28510	0.4
63.53622	0.4
69.03329	6.9
71.01257	8.7
72.99193	1.5
73.02820	5.8
74.35118	0.3
78.95802	0.5
83.01268	2.0
83.04887	0.5
85.02820	2.7
87.00758	1.7
89.02307	2.4
95.01288	0.7
96.95891	2.7
97.02820	2.0
98.76562	0.4
99.00748	2.5
100.90156	0.4
101.02319	6.4
102.98484	0.5
112.98734	0.5
113.02332	3.6
119.03387	1.0
125.02368	0.4
130.56152	0.4
135.04442	0.8
137.09586	0.4
141.01823	0.8
143.03400	0.4
149.00858	0.6
161.04498	1.6
163.11192	5.1
164.11517	0.4
165.09117	1.4
177.09378	0.4
179.03409	0.5
181.12265	16.5
182.12674	0.8
185.00870	4.0
187.11143	2.3
189.12779	3.1
190.09924	3.0
203.05597	1.1
205.12259	5.3
216.61455	0.4
223.13406	1.3
229.12303	0.7
247.13402	1.3
349.16647	1.6
367.17554	2.4
368.18268	0.5
385.18768	0.5
427.19977	1.6
435.12476	0.5
487.18472	0.7
487.25269	4.6
488.25613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15047	1.1
58.02857	1.6
59.01251	28.7
59.37902	1.1
68.99685	2.3
69.06589	1.0
69.59422	4.0
69.59834	3.8
71.01254	3.9
72.99183	4.1
73.02831	1.6
78.95762	1.3
79.95598	1.2
84.99204	2.2
85.02795	2.6
86.68659	1.2
87.00757	17.6
89.03829	2.1
93.03344	2.2
95.01296	1.0
96.95888	17.4
98.20517	2.1
101.02335	3.7
103.00241	6.4
107.04932	1.3
109.02835	6.9
109.97952	1.0
111.00743	2.7
112.98692	41.6
113.99012	1.5
117.03329	5.7
120.21355	1.1
121.02843	1.2
127.00283	1.7
127.05029	1.2
130.08592	5.7
130.99756	4.9
133.02855	7.1
134.03629	64.1
135.04425	81.9
136.04767	3.4
137.02347	5.7
139.00276	5.9
139.04013	1.1
147.04428	1.9
149.00826	8.7
149.05992	9.4
159.04387	2.8
160.01567	5.2
161.02359	20.3
161.04474	1.2
162.03043	4.4
163.03897	9.7
173.02350	1.5
173.56676	1.2
175.03957	5.7
177.05495	4.5
177.22514	1.0
178.02647	5.1
179.03424	49.6
190.02661	3.4
191.03452	6.0
191.05544	9.5
191.07053	2.6
193.04990	100.0
194.05341	3.7
205.05029	4.8
218.02171	1.5
219.02930	35.2
223.10858	2.2
230.02130	2.2
231.02980	3.9
233.04492	13.4
234.87146	1.3
245.04485	1.3
275.01953	1.4
293.03030	24.9
293.06311	1.3
307.04605	16.5
308.05005	1.6
316.15793	1.2
325.05655	20.6
326.06119	1.8
354.20331	7.6
359.97815	1.2
469.23117	1.9
487.13431	3.2
502.73892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17225	1.3
53.51674	1.2
55.91355	1.7
58.00476	1.6
59.01250	97.0
60.01575	1.6
61.98702	1.4
67.01760	1.3
67.46368	1.4
71.01249	18.3
72.99189	3.1
73.02813	2.7
78.95773	7.5
85.02830	4.9
87.00737	6.1
89.02317	20.2
94.02860	2.1
95.01210	1.8
96.67149	1.2
96.95887	11.7
96.96818	9.8
97.02805	1.6
98.02354	100.0
99.00755	2.3
99.01881	3.5
99.02696	2.1
101.02319	14.2
107.24624	1.8
107.25391	1.6
107.68410	1.5
110.02357	16.5
113.02322	9.1
119.03371	11.2
122.02358	3.0
128.03429	3.4
134.02374	1.8
161.04463	4.9
179.05457	6.7
182.04498	2.9
205.12312	2.0
228.13950	1.8
238.77824	1.7
246.14801	3.7
419.72339	1.5
424.63022	1.5
487.13269	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	485.3273
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.13449	0.1
56.53048	0.1
59.01250	4.5
60.08289	0.1
70.82103	0.3
73.02819	0.8
96.95905	0.4
98.71002	0.2
138.90836	0.2
190.67178	0.1
219.69133	0.2
241.19653	0.2
241.85886	0.1
253.61624	0.1
340.34561	0.2
361.00610	0.2
377.28757	0.2
379.30084	0.2
389.28769	0.2
407.29581	0.5
409.31378	0.3
473.32327	0.4
485.32718	100.0
486.33081	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	486.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89564	0.3
59.01251	3.6
60.01605	0.5
61.38456	0.3
61.98701	100.0
62.58635	0.4
62.98443	0.3
69.37416	1.6
69.37843	1.4
83.04945	0.4
89.02310	0.5
101.02331	0.4
111.04402	1.1
112.04771	0.4
113.02264	0.3
143.93414	0.3
144.83095	0.3
217.12239	2.2
218.12633	2.7
219.12926	1.2
220.13239	0.8
251.48250	0.3
261.11264	2.4
262.11679	4.1
263.11911	3.0
264.12125	2.8
274.49539	0.4
277.10657	0.4
279.12473	0.3
307.08826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.58799	0.2
59.01250	19.4
60.01587	0.2
60.99187	1.8
67.41357	0.2
69.03327	0.4
69.94216	1.3
76.59801	0.3
78.95764	0.4
81.03364	0.3
83.04860	0.3
96.95866	0.5
97.02834	0.7
98.20464	0.3
102.67355	0.2
103.91912	0.2
111.00724	0.2
123.08055	0.5
146.38489	0.3
154.20119	0.2
294.05261	0.3
307.24359	0.4
308.75375	0.3
312.83859	0.3
337.25168	0.3
361.25253	0.6
377.28506	2.8
389.28577	0.6
391.26190	0.5
393.31912	1.5
397.81964	0.3
405.31998	1.6
407.29599	3.8
408.29990	0.5
421.31036	1.1
422.31885	0.3
423.27661	0.5
423.32770	5.8
424.33163	0.7
437.30466	0.5
439.32162	3.4
440.32480	0.4
467.31662	1.9
485.32724	100.0
486.33105	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	485.3272
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
56.96602	0.2
58.87939	0.2
59.01253	1.1
59.16151	0.2
67.54994	0.3
71.58009	0.3
71.58451	0.3
72.25763	0.2
75.50489	0.2
75.51238	0.2
78.95743	0.3
96.23595	0.2
96.95837	0.5
103.81267	0.2
112.17564	0.3
120.34927	0.2
152.89380	0.3
199.32727	0.2
206.23625	0.2
239.28557	0.2
285.06522	0.3
369.99936	0.2
371.34595	0.2
379.29941	0.3
409.31140	1.2
437.30453	3.1
438.30850	0.4
441.34207	0.5
455.31644	74.4
456.32022	10.3
485.32724	100.0
486.33060	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	485.3274
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.90161	0.2
59.01245	1.1
62.14207	0.2
69.69543	1.4
71.01252	0.3
78.13818	0.2
78.95780	0.3
80.51244	0.3
82.85165	0.2
91.78484	0.2
96.95876	0.5
146.99168	0.3
149.12236	0.2
152.89534	0.3
154.27400	0.2
175.03877	0.5
178.93776	0.3
191.49138	0.2
230.46284	0.3
379.29907	0.4
409.31137	1.3
437.30594	4.8
438.30820	0.8
455.31671	14.7
456.31976	2.3
485.32745	100.0
486.33102	15.5
496.93723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	0.7
60.99172	0.6
61.98715	0.4
63.20572	0.3
70.87785	0.9
71.01273	0.4
73.02021	0.3
78.95776	0.6
86.68818	0.3
91.07744	0.3
96.95898	1.0
105.07073	0.3
109.20469	0.3
118.96838	0.4
135.21152	0.3
152.99536	0.4
171.10245	0.3
172.50294	0.3
174.62122	0.3
246.43806	0.3
260.34360	0.3
294.33356	0.4
295.22803	0.4
296.00174	0.4
302.63840	0.3
336.20370	0.3
384.17270	0.4
421.31259	0.9
423.32794	0.7
425.49661	0.3
441.33676	0.7
485.32794	11.3
486.33237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09565	0.3
59.01247	100.0
60.01599	0.7
61.98721	0.4
63.85713	0.3
64.98330	0.3
69.45615	0.3
69.54294	2.3
70.81850	0.3
73.43248	0.3
83.04931	0.5
85.02811	0.4
96.95886	0.8
101.02371	0.6
109.59953	0.4
112.02107	0.4
222.39761	0.4
249.15039	0.4
258.73828	0.4
315.41873	0.4
354.03885	0.4
392.23117	0.4
406.07941	0.4
425.23352	1.0
484.51584	0.5
485.33124	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01588	0.7
60.02814	0.2
61.98697	0.2
67.26212	0.2
71.01253	0.3
71.21379	0.2
71.21729	0.5
77.37383	0.2
78.95770	0.2
95.71479	0.2
96.95911	0.5
103.26517	0.2
126.90312	0.2
208.03201	0.2
224.44258	0.2
348.15921	0.2
389.56235	0.2
439.32602	0.3
485.33035	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	485.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01574	0.6
61.98693	0.5
65.72031	0.4
68.80603	0.4
69.86790	1.5
69.87204	0.7
75.00732	0.5
75.21159	0.4
78.95782	0.9
96.95892	0.6
189.22592	0.5
295.22824	0.9
439.32251	4.3
485.32693	16.8
486.32996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01558	0.9
65.71423	0.9
69.43904	1.2
69.44308	5.5
71.01245	3.8
72.99158	0.8
73.02824	2.4
78.95782	1.1
79.86747	0.6
81.56754	0.7
83.01279	1.0
84.31409	0.7
85.02839	1.4
87.00757	1.7
89.02314	1.6
96.95884	3.7
96.97583	0.8
99.00730	1.0
101.02348	3.2
109.90373	0.7
113.02341	1.8
130.43123	0.7
161.04475	0.8
209.11852	1.3
295.33350	0.9
304.28967	0.7
309.11954	0.8
309.39218	0.8
409.30295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	41.7
62.47660	0.7
67.49706	0.7
69.34258	7.4
71.01254	5.7
72.06800	0.7
79.95609	6.6
83.01270	1.1
83.04897	0.7
85.02824	3.9
87.00748	2.6
89.02300	2.7
93.03306	2.1
95.01249	1.1
96.95885	27.7
98.95434	1.1
101.02310	3.5
107.04875	0.9
108.02015	0.8
109.02809	1.3
113.02329	5.7
116.38908	0.8
119.03373	2.2
123.04371	0.8
125.05949	2.2
133.02870	0.9
135.04404	1.6
136.05174	2.4
137.02249	0.8
139.07542	1.2
147.04364	1.1
151.07584	2.0
152.08273	1.7
161.04440	1.6
163.07559	0.8
173.04485	1.0
185.09633	1.5
186.10333	0.9
189.09152	1.6
191.05522	4.1
198.83057	0.8
201.12770	9.7
203.10648	4.1
204.11478	17.3
205.11916	1.5
219.13837	20.5
220.14030	0.9
235.83847	0.7
243.13795	1.6
245.11743	2.6
249.86603	0.8
263.12851	100.0
264.13193	5.5
287.12949	4.0
305.13919	3.8
306.14291	0.8
309.11850	1.1
362.03912	0.8
425.18332	1.2
485.11212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33422	0.4
55.01756	1.4
57.03324	2.5
58.00439	0.5
59.01249	100.0
59.20076	0.5
60.01577	0.8
62.42012	0.5
64.69880	0.5
69.03316	1.2
69.34084	3.2
69.34486	1.1
71.01250	32.5
72.99190	1.7
73.02823	6.0
79.05402	0.6
79.95647	0.5
83.01250	3.6
85.02818	20.3
87.00755	2.3
89.02315	10.9
95.01262	5.5
95.01819	0.6
95.04916	1.5
95.95111	0.8
96.95883	8.0
96.96841	0.6
97.02844	1.4
98.02351	0.7
99.00768	4.5
101.02315	13.1
107.04895	1.6
112.01545	0.6
113.02326	42.8
114.02689	0.5
119.03403	4.0
125.02360	1.1
125.05994	1.2
135.04395	0.6
143.03418	2.0
159.02956	0.7
161.04475	6.1
175.11218	1.4
179.05539	0.7
191.05595	0.8
193.35495	0.5
205.12230	5.5
215.10796	0.8
223.13417	1.4
227.10713	2.8
235.13452	1.5
251.12898	5.3
260.03738	1.8
281.13757	0.8
282.13272	0.8
286.16226	0.5
347.15265	2.0
363.50128	0.5
367.17703	3.3
377.16174	2.1
379.17734	2.8
389.16174	1.4
395.17075	16.0
396.01962	0.5
396.17575	1.0
397.18610	7.3
413.18036	2.7
415.19763	0.6
425.18143	42.4
426.18475	4.7
439.16046	0.8
443.19162	9.5
444.19727	1.0
467.16235	0.7
485.11136	1.3
485.20288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84075	1.1
55.01749	3.7
55.68597	1.3
58.00446	1.3
59.01254	44.9
67.20953	1.2
71.01254	30.4
71.58052	1.8
72.99171	3.0
73.02815	2.6
74.81286	1.2
79.10927	1.2
79.95610	1.7
83.01261	7.6
85.02816	7.5
87.00750	2.3
89.02316	22.2
91.36576	1.3
92.19077	1.2
93.03327	1.9
96.95267	2.1
96.95892	31.3
99.00779	1.2
101.01691	2.2
101.02325	33.0
102.98534	1.3
110.61772	1.1
111.24036	1.2
113.02324	8.1
118.82639	1.2
119.03397	7.7
143.03400	1.3
145.07608	4.5
146.04753	1.6
159.09138	1.4
160.06340	19.1
161.04462	2.9
161.07117	84.4
162.07458	4.1
173.10692	1.6
175.08688	36.3
179.03400	2.2
179.05516	3.9
185.10812	1.6
187.08704	4.3
189.06628	100.0
190.06966	4.4
201.10240	7.5
203.08208	29.1
203.11810	8.3
203.13484	1.5
204.08438	1.4
229.09772	15.0
241.09816	3.8
277.12009	2.0
305.11426	34.2
306.11832	2.9
323.12424	5.7
361.88791	1.3
387.16577	1.7
485.17764	92.9
486.18054	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	483.3114
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
59.01254	1.9
71.36878	0.3
71.37223	0.7
78.95763	0.8
82.29966	0.3
86.44672	0.4
96.95901	0.9
103.91911	0.3
105.51936	0.3
148.18393	0.3
152.08376	0.3
152.89386	0.6
159.12029	0.3
170.88312	2.3
172.51105	0.3
208.21806	0.3
217.12383	0.8
261.11368	1.1
301.33640	0.4
332.98154	0.4
401.11755	1.1
407.29517	0.6
423.16687	0.4
435.28799	0.6
453.30057	8.7
454.30627	1.1
483.31140	100.0
484.31467	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29819	0.3
59.01255	0.5
60.87244	0.3
69.35467	0.3
78.95775	15.7
96.09005	0.3
96.96825	1.3
98.19807	0.7
117.75031	0.3
139.22572	0.3
150.97932	0.4
152.99486	27.4
153.99762	0.5
157.84380	0.3
171.00557	1.0
177.03394	0.3
217.12129	0.5
227.03215	5.0
229.59991	0.3
236.08255	0.3
245.04259	0.8
255.23260	100.0
256.23621	7.4
261.11255	0.5
291.38394	0.3
302.43402	0.3
340.78558	0.3
391.22516	1.0
422.30853	0.4
483.27271	64.7
484.27634	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63146	0.4
63.21415	0.3
71.07387	0.5
71.07709	0.6
75.82372	0.4
78.95773	18.7
91.67311	0.4
96.96844	1.4
136.14166	0.4
144.06522	0.4
149.44357	0.4
150.97993	0.6
152.99480	31.0
153.99803	0.6
171.00536	1.2
194.83327	0.4
227.03218	4.6
245.04156	1.3
255.23259	100.0
256.23578	7.6
391.22476	1.1
456.33597	0.4
483.27261	58.1
484.27661	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34905	0.6
58.48252	0.6
70.61002	2.0
78.95773	7.7
84.13944	0.6
100.40836	0.7
106.64392	0.7
110.30958	0.6
114.22197	0.6
132.73015	0.6
152.99483	15.3
166.75908	0.6
171.00526	1.3
223.91417	0.6
227.03224	3.1
245.04312	1.7
255.23262	100.0
256.23621	7.8
483.27261	31.3
484.27588	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.26
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33917	0.5
59.01249	100.0
60.01574	0.7
69.46387	0.5
71.01288	0.8
71.58749	0.7
78.95786	0.9
87.00717	0.5
93.68427	0.5
96.95913	1.3
111.00696	0.5
111.04460	0.7
120.04460	0.7
136.43307	0.6
200.42023	0.5
211.06059	0.6
214.13080	0.6
233.58759	0.5
255.23375	0.6
261.11316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94923	0.3
60.70364	0.3
69.54247	2.1
76.00126	0.3
78.95773	7.7
86.64520	0.3
96.96846	0.5
115.83727	0.3
152.99495	14.0
153.99911	0.4
165.08319	0.2
170.60251	0.3
171.00549	1.4
181.26936	0.3
227.03165	2.9
229.67952	0.3
245.04237	1.4
247.04854	0.3
255.23259	100.0
256.23587	7.0
269.25821	0.3
346.98700	0.4
483.27228	24.5
484.27579	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	35.4
59.01247	20.7
60.90522	0.7
61.56100	0.7
68.77117	0.7
69.03316	2.3
69.76083	3.7
71.01253	11.1
72.99181	1.0
73.02816	14.5
78.95776	4.5
79.05383	1.1
81.03341	0.9
81.61824	0.7
83.01250	4.6
83.04904	1.5
85.02830	1.2
89.02312	1.3
91.05369	0.8
95.04894	1.4
96.95885	22.0
96.96825	10.1
97.02841	1.1
97.06482	1.0
98.02353	5.0
99.00719	0.8
101.02316	8.7
107.04880	1.2
109.06466	2.4
111.04351	0.9
111.08057	1.0
113.02295	2.2
118.93200	0.7
119.04888	0.7
119.08540	0.8
121.06450	0.8
121.10107	3.5
123.04461	0.9
125.02303	1.1
125.05972	1.2
135.04475	1.2
137.05949	1.2
137.09586	1.4
147.02773	0.8
147.08040	3.1
159.08040	0.9
161.04504	0.9
165.09166	1.7
167.07082	1.2
171.07968	1.1
171.11658	0.8
173.13307	3.7
175.11218	6.1
177.09119	1.2
189.09148	0.9
191.14352	10.6
199.11205	2.6
217.12289	9.8
219.10083	0.8
231.13885	1.4
233.08044	0.9
235.13336	59.1
236.13663	5.6
249.14896	1.0
259.13364	1.9
261.11307	9.3
277.14563	0.8
279.12347	100.0
280.12701	7.9
293.13913	2.9
303.12238	1.7
321.13339	3.6
483.18774	11.0
484.18887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	39.9
67.01758	0.8
71.01242	3.7
73.02828	1.4
75.00713	0.7
80.01788	0.8
83.04880	1.1
85.02808	3.0
87.00771	1.0
89.02322	2.9
93.03318	2.6
96.95876	2.4
97.02825	3.4
98.20592	1.4
101.02305	4.2
111.04387	2.7
113.02334	4.3
114.40926	0.7
119.03356	2.8
119.04877	0.9
121.06446	0.8
122.03603	0.9
125.96597	0.7
135.08060	2.3
137.02373	1.0
148.05147	2.8
163.03894	2.0
163.07536	22.2
164.07953	0.9
165.09212	1.6
173.04443	1.3
173.13255	7.8
189.09108	1.1
199.11156	3.6
217.12291	33.7
218.12561	2.2
261.11292	100.0
262.11606	9.4
275.12830	3.1
295.45853	0.9
303.12326	5.2
483.17850	1.7
508.65967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09492	1.0
59.01244	26.0
69.03308	1.1
69.82774	4.7
69.83188	2.4
71.01249	4.9
71.39361	1.3
72.99168	1.6
73.02791	1.5
78.95773	13.4
83.01278	1.3
85.02818	4.4
89.02290	1.4
96.95866	4.8
98.20576	1.6
101.02320	4.1
111.04405	2.8
113.02284	1.7
119.03388	2.6
123.00726	1.4
123.04398	1.7
124.01571	6.7
125.02336	3.4
137.09607	1.4
139.03880	2.9
152.99471	3.3
153.05495	2.4
155.10658	3.3
156.74310	1.2
163.07556	1.7
171.00616	1.7
173.04539	1.4
173.13263	17.0
179.03400	1.6
185.00891	1.5
187.11136	1.8
191.05499	2.8
199.09480	1.3
199.11186	1.2
217.12270	100.0
218.12573	6.7
227.75476	1.4
261.11285	41.5
262.11591	4.3
275.12869	2.5
303.12277	1.7
356.60062	1.1
483.17847	2.5
483.23538	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	483.1848
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.01750	7.2
57.03314	8.8
59.01251	93.8
59.37765	4.7
61.98704	6.5
62.07848	4.8
70.71761	13.9
71.01250	75.4
72.31856	5.2
72.99198	6.5
73.02805	17.8
75.00745	5.2
76.63911	5.0
78.12344	5.1
78.95807	10.4
83.01253	8.0
85.02815	44.1
87.00763	13.2
89.02314	18.7
95.01281	12.7
96.95872	9.6
97.02821	6.1
99.00763	8.6
101.02316	20.2
113.02329	79.7
119.03374	5.5
131.03391	6.2
133.02852	9.2
137.02431	5.7
138.49808	4.5
149.04465	5.1
152.99512	6.2
161.04485	7.1
187.70038	4.4
195.13847	48.5
213.14726	4.9
217.12204	15.4
223.13136	24.6
235.13106	22.0
237.10965	8.8
247.13153	8.2
253.12973	26.6
261.11301	26.6
261.14429	7.8
267.12161	25.6
277.14267	36.0
279.12244	7.8
289.14185	21.8
295.13828	7.5
297.79294	4.8
331.15106	12.1
356.66504	4.7
357.15063	7.8
357.19156	74.5
358.19672	8.7
379.17319	100.0
380.17606	8.1
397.17834	71.2
398.17819	13.9
439.19122	7.4
483.22504	7.1
483.33185	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	483.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90401	0.5
57.03329	3.9
59.01247	3.8
68.59776	0.7
69.45988	0.7
69.46393	4.4
71.01251	3.6
73.02822	1.2
78.05112	0.7
78.95779	13.2
79.95609	1.8
83.01231	0.8
89.02319	1.7
96.95892	100.0
96.96822	25.1
98.02355	16.8
99.00791	0.6
101.02319	2.0
108.02015	1.1
109.02853	1.4
113.02329	0.7
152.01068	1.3
153.01894	0.9
161.04492	0.7
175.11194	1.0
188.30913	0.6
191.14389	0.7
217.12303	1.1
235.13358	6.0
261.11438	1.0
279.12369	9.8
280.12643	0.6
385.38715	0.6
483.13083	3.1
483.25052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.0
59.01245	4.3
62.53620	0.7
64.08361	0.6
70.32989	1.7
70.33377	1.8
71.01263	3.3
73.02822	2.1
78.95774	1.0
79.95615	0.9
85.02796	0.9
96.95884	11.9
101.02319	2.1
108.02060	10.6
108.58267	0.9
109.02835	70.8
110.02441	1.0
110.03204	2.3
112.03925	2.2
116.20969	0.8
119.38815	0.8
124.03974	1.5
130.18608	1.0
135.04460	2.0
149.02342	1.2
152.01044	10.0
153.01839	100.0
154.02173	3.3
166.04973	5.4
176.86539	0.9
179.77609	0.8
182.24429	0.8
202.73186	0.9
216.11031	2.3
235.13359	2.3
279.12497	3.9
292.19287	1.0
315.07141	3.3
320.15652	1.0
481.26508	1.6
482.12961	15.1
482.19351	1.0
482.27097	1.7
483.13403	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45454	0.8
71.06814	1.2
71.07150	1.9
78.95774	52.3
82.23223	1.0
96.96832	2.7
105.08630	0.9
122.96377	0.8
152.99487	63.7
171.00565	18.2
190.50435	0.9
193.47531	1.0
202.62317	0.9
223.50996	1.1
227.03215	3.8
245.04282	100.0
246.04559	3.2
253.21696	66.6
254.22060	4.0
302.68317	1.0
312.37216	1.1
337.11279	1.0
412.30154	0.9
481.25714	35.4
482.26453	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95139	0.7
69.56813	6.6
78.95773	59.0
88.44260	0.7
89.20625	0.8
96.96844	6.1
98.19794	1.6
146.81718	0.9
150.97935	1.5
152.99487	100.0
153.99792	1.4
158.68404	0.7
171.00549	17.5
227.03169	9.3
245.04282	79.4
246.04643	1.9
253.21706	56.0
254.22014	3.7
322.75839	0.9
481.25702	98.2
482.26080	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	481.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73558	0.9
59.01247	1.9
69.36768	4.2
69.37193	4.5
78.95770	15.4
96.96839	1.4
105.91044	0.8
152.99480	25.9
171.00522	1.7
227.03218	4.0
245.04195	1.8
253.21687	100.0
254.22026	7.6
481.25690	38.4
482.25983	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14309	0.9
69.64393	6.3
73.13126	1.1
78.95774	56.8
79.01140	1.0
96.96867	4.3
98.19754	1.3
124.77065	1.1
128.96001	0.9
150.97934	1.9
152.99486	99.9
153.99831	1.9
157.09250	1.0
171.00554	18.0
227.03183	8.4
245.04282	71.7
246.04570	2.9
253.21698	55.3
254.22060	3.9
481.25714	100.0
482.26227	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2254
Annotation	Dulciol C
Peak:m/z	Relative Intensity
59.01250	2.5
70.41312	0.8
70.41694	0.6
71.01219	0.4
73.12336	0.3
87.00729	0.6
96.56902	0.3
96.95911	1.1
98.19929	0.3
101.62341	0.3
103.91894	1.2
104.92706	0.4
109.17330	0.3
118.39865	0.3
118.75103	0.3
127.07521	0.3
130.30043	0.3
136.86653	0.3
141.09109	0.3
148.32086	0.3
165.12753	0.8
167.14281	0.4
177.12732	0.4
181.12242	4.3
183.13818	33.3
184.14098	1.5
193.12277	0.8
195.13828	15.0
196.02562	0.3
196.14186	0.9
202.04800	0.3
207.10019	0.7
209.11583	0.4
211.13338	12.4
212.13591	0.6
213.14891	45.4
214.15224	2.6
223.09352	0.5
227.12794	0.8
237.10991	1.1
239.07320	0.4
252.08034	0.3
255.06816	0.5
263.03745	0.3
265.05270	2.9
267.06866	3.7
269.05246	0.6
269.08408	8.8
269.14911	0.3
270.08685	0.6
281.04749	0.4
283.06421	1.0
285.07953	1.3
303.04147	0.3
371.77560	0.3
405.20715	0.6
421.20407	2.1
422.20770	0.4
449.20013	1.9
450.20276	0.4
451.21381	3.9
451.26904	0.2
452.21881	0.4
479.20883	5.9
480.21417	0.7
481.22522	100.0
482.22855	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	481.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.0
65.18610	2.1
65.24492	2.5
71.01241	10.5
71.57452	3.5
72.12537	2.0
85.02795	2.9
87.00757	8.3
89.02324	5.8
96.95913	4.1
101.02329	7.2
106.06531	3.1
113.02294	3.2
119.03347	3.8
124.07572	3.6
131.03284	2.0
132.04440	6.3
136.07532	3.0
140.82648	2.2
163.36479	2.2
213.10313	6.0
214.11008	3.5
215.11897	17.8
224.09372	2.6
226.11136	4.1
227.11876	15.9
228.12553	2.7
229.13388	25.9
239.11839	19.4
242.10580	3.7
256.12183	14.7
257.12933	100.0
258.13226	7.6
259.10907	10.7
300.11237	4.0
301.11755	10.5
406.59833	2.2
419.18307	10.6
463.17172	53.8
464.17593	6.7
481.18195	30.4
482.18787	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67545	0.6
55.01759	0.6
57.03326	2.3
59.01249	10.2
60.99174	5.5
65.03838	0.5
67.01757	14.5
67.40363	0.4
68.02087	0.5
69.03321	5.6
71.01255	9.7
71.04856	0.4
71.29595	0.8
72.99188	0.8
73.02812	3.3
78.95796	1.1
81.03320	2.4
83.01245	1.3
83.02364	0.5
83.04884	2.3
85.02810	2.4
87.00747	20.8
89.02341	1.2
93.03329	100.0
94.03666	2.3
96.95869	2.7
99.00745	2.4
99.04396	1.3
101.02308	3.2
105.01877	0.4
106.18056	0.5
109.02827	1.0
111.00782	0.7
111.04401	12.2
113.02310	4.3
115.03899	0.6
129.01852	2.4
133.02829	2.7
134.03621	9.1
135.04422	3.8
137.02312	2.8
143.03407	1.1
149.00800	0.7
151.03806	0.4
152.99501	1.0
155.03391	3.5
161.04437	0.7
173.04459	56.4
174.04807	1.3
177.01840	1.6
178.02623	9.5
179.03352	1.7
191.05559	1.5
241.87029	0.5
260.96182	0.5
275.09332	1.2
307.08267	0.5
308.08783	0.7
351.07199	1.0
352.07642	0.5
353.08167	0.5
406.45181	0.5
449.14453	44.9
450.14801	5.5
481.17026	19.6
482.17480	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72478	0.4
57.03325	1.9
59.01252	5.6
60.99179	5.3
61.98709	0.6
67.01761	13.4
69.03329	4.9
71.01252	6.5
71.58604	0.6
72.99184	1.5
73.02822	1.0
76.26392	0.5
78.95773	2.5
81.03326	3.1
83.01260	0.6
83.04907	2.3
85.02815	1.2
87.00747	20.3
89.02322	1.0
93.03334	100.0
94.03664	2.6
95.01312	0.7
96.95894	1.5
97.06449	1.2
99.00756	2.3
99.04395	1.6
101.02327	1.6
109.02839	1.4
111.00790	0.4
111.04404	14.0
112.04714	0.5
113.02338	2.0
115.03911	0.7
129.01797	2.0
133.02864	0.5
134.03629	16.9
135.04469	2.5
137.02315	1.7
143.03377	0.9
152.99478	2.9
153.01802	0.4
155.03413	3.3
173.04468	62.0
174.04713	2.1
177.01880	0.8
178.02638	3.4
179.03421	0.5
189.12810	0.6
191.05548	1.0
231.10156	0.5
233.11832	1.2
261.11450	0.7
264.81720	0.4
275.09158	0.8
277.10742	0.6
307.11868	3.2
319.11890	1.7
449.14566	9.5
450.14597	1.3
481.17035	33.3
482.17355	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67545	0.6
55.01759	0.6
57.03326	2.3
59.01249	10.2
60.99174	5.5
65.03838	0.5
67.01757	14.5
67.40363	0.4
68.02087	0.5
69.03321	5.6
71.01255	9.7
71.04856	0.4
71.29595	0.8
72.99188	0.8
73.02812	3.3
78.95796	1.1
81.03320	2.4
83.01245	1.3
83.02364	0.5
83.04884	2.3
85.02810	2.4
87.00747	20.8
89.02341	1.2
93.03329	100.0
94.03666	2.3
96.95869	2.7
99.00745	2.4
99.04396	1.3
101.02308	3.2
105.01877	0.4
106.18056	0.5
109.02827	1.0
111.00782	0.7
111.04401	12.2
113.02310	4.3
115.03899	0.6
129.01852	2.4
133.02829	2.7
134.03621	9.1
135.04422	3.8
137.02312	2.8
143.03407	1.1
149.00800	0.7
151.03806	0.4
152.99501	1.0
155.03391	3.5
161.04437	0.7
173.04459	56.4
174.04807	1.3
177.01840	1.6
178.02623	9.5
179.03352	1.7
191.05559	1.5
241.87029	0.5
260.96182	0.5
275.09332	1.2
307.08267	0.5
308.08783	0.7
351.07199	1.0
352.07642	0.5
353.08167	0.5
406.45181	0.5
449.14453	44.9
450.14801	5.5
481.17026	19.6
482.17480	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	480.3092
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
57.55515	0.6
61.98711	3.3
62.96283	0.6
69.52369	1.3
69.52779	3.4
70.97860	0.6
78.83878	0.5
78.95772	31.4
96.96835	1.2
98.20659	0.6
110.98428	1.3
121.99960	0.7
140.01080	4.1
152.99461	4.6
167.01033	0.9
171.00542	3.3
196.03722	8.0
214.04810	2.1
255.20670	1.0
255.23270	15.3
283.26407	100.0
284.26749	7.9
319.94055	0.6
333.63474	0.6
367.10211	0.6
389.23828	0.6
423.25055	6.7
424.72247	0.8
473.56061	0.7
480.30939	35.2
481.20978	3.5
481.30939	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	481.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
69.03300	0.2
69.43903	1.9
71.01250	0.9
72.99177	0.4
77.69442	0.3
78.95762	0.3
79.95611	0.8
83.01233	0.2
85.02823	0.4
87.00732	0.3
89.02312	0.4
93.03323	1.4
96.95884	8.7
98.95472	0.5
101.02303	0.3
109.02882	0.4
113.02289	0.3
120.99536	100.0
121.99928	1.4
123.04427	0.3
129.67236	0.2
133.02954	0.3
135.04411	0.6
137.02327	1.3
145.02826	0.8
146.03610	0.4
147.04419	0.4
149.00778	0.3
155.10698	0.4
163.03825	0.3
167.35988	0.3
173.04478	0.3
173.09680	0.2
179.07047	0.9
183.44785	0.2
191.03967	0.2
191.05562	1.0
193.03195	0.3
197.13214	0.3
211.04306	1.1
265.05090	0.4
273.03812	0.2
291.59982	0.2
296.00348	0.2
299.06201	0.3
337.04175	0.3
349.18906	0.2
355.04807	0.6
370.09558	0.2
393.13739	0.6
419.28848	0.2
481.15451	0.3
481.27158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03321	0.4
59.01251	100.0
60.01600	0.9
61.98707	0.5
63.44192	0.4
70.81953	0.7
71.01247	10.7
72.99195	0.7
73.02818	4.7
78.95770	0.6
83.01263	1.5
85.02827	2.5
87.00738	0.8
87.04401	1.4
89.02323	5.9
89.02826	0.5
95.01264	0.5
96.95872	2.7
98.02352	0.9
99.23985	0.4
101.02324	6.8
108.04426	0.4
113.02327	5.5
119.03379	2.2
131.03377	0.8
143.03432	1.0
149.04433	0.4
152.99484	0.7
161.04485	1.7
179.05566	1.5
196.02463	2.0
217.00343	0.5
419.24765	1.0
437.25818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33117	0.2
56.72970	0.3
59.01253	100.0
60.01588	0.9
62.16964	0.3
62.96288	0.4
71.01259	0.6
73.02825	0.4
73.42822	0.3
78.95784	1.1
87.04389	8.1
89.02282	0.3
96.95887	3.5
98.95467	0.3
110.98387	0.5
122.47280	0.3
139.11284	0.3
141.01682	0.4
152.99501	0.6
171.10231	0.9
174.37668	0.3
179.03406	0.3
181.79805	0.3
185.02213	0.4
191.05702	0.3
201.11343	1.4
205.34880	0.3
211.13385	0.7
217.00278	0.5
229.26767	0.3
232.97510	0.7
287.14612	0.3
293.21210	2.1
311.22479	2.0
479.24411	1.3
479.67603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16125	0.2
59.01252	100.0
59.85212	0.2
60.01588	0.6
64.89405	0.2
69.31757	2.4
71.01248	0.4
75.24315	0.2
78.95784	1.1
87.00735	0.3
87.04393	4.5
87.04889	0.4
96.95885	3.7
96.96416	0.3
98.20573	0.6
108.84937	0.2
125.71519	0.3
135.04538	0.2
152.99521	0.8
171.10237	0.3
195.06517	2.2
201.11232	0.3
217.00331	0.7
232.97508	0.5
268.07529	0.5
293.21371	0.4
301.07318	0.3
311.22278	0.6
479.24475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24603	3.5
69.25028	2.1
69.78046	0.5
71.04881	0.8
74.02337	1.4
78.95775	1.1
81.03322	5.0
91.05397	5.6
92.04930	84.5
93.05275	2.1
96.08053	2.0
99.04386	2.2
102.03390	2.0
107.24461	0.4
117.05461	1.7
131.03662	5.6
131.04903	2.6
132.04164	0.6
135.04402	1.7
136.03935	24.8
137.04315	1.0
138.09114	3.3
146.02374	2.3
146.09618	3.1
155.10660	1.0
159.11699	6.0
160.07568	0.8
174.09100	0.9
184.11198	1.9
186.12848	3.4
188.14365	4.0
190.08635	3.0
192.10211	10.4
199.99023	0.5
202.12428	1.0
205.62694	0.5
216.13837	1.5
218.08147	6.7
232.13321	0.7
236.09232	50.8
237.09602	2.9
260.12900	21.0
261.13342	1.6
387.73535	0.6
479.21851	100.0
480.22202	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	3.1
57.03319	1.9
58.00470	2.8
59.01247	62.1
60.89721	2.1
61.50975	1.8
65.95446	1.9
70.29672	9.2
71.01246	22.6
73.02811	9.0
79.95597	5.7
81.30380	2.2
83.01245	4.8
83.04452	2.1
83.04891	2.1
84.32158	2.1
85.02824	11.1
87.00759	5.0
89.02312	3.7
96.95887	55.1
98.95486	2.5
99.00763	3.1
101.02322	18.3
111.00752	2.4
112.01620	2.0
113.02317	8.0
120.99533	23.9
123.04403	5.7
125.02354	2.5
135.04340	2.7
136.67323	2.0
143.03259	2.0
149.02391	2.2
155.10681	3.8
157.12338	2.8
180.61330	1.9
185.15427	3.8
191.05475	3.5
191.34132	2.4
213.14886	5.7
225.11337	3.1
231.15921	18.9
355.04709	3.4
375.20044	22.1
393.16446	2.2
393.21234	39.8
394.21487	3.6
419.22379	4.0
435.22296	100.0
436.22632	9.0
437.23080	3.1
449.53116	2.3
468.71915	2.2
479.13266	4.5
479.24768	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.1
59.01249	31.6
65.00179	1.8
71.01247	10.2
71.04874	3.4
71.34756	0.8
71.57955	1.5
72.65179	0.9
72.99175	1.4
73.02810	2.1
75.69141	0.9
80.50661	1.1
83.01244	3.5
85.02794	2.2
87.00731	2.7
88.03910	1.4
89.02290	4.7
94.63658	0.9
95.01247	1.3
96.95871	1.8
96.99060	0.8
97.02803	3.7
97.06447	2.9
99.00748	19.3
101.02312	6.5
107.01233	3.7
109.02830	14.2
109.06451	1.5
111.00735	2.0
113.02290	2.9
115.00220	3.5
119.03377	1.3
123.00739	1.1
123.04337	1.2
124.01530	1.1
125.02276	3.4
125.09622	5.9
129.10182	1.2
132.02893	2.7
133.02789	3.1
135.00798	1.3
135.04454	1.0
137.02313	3.1
139.00282	4.3
151.00267	11.2
153.01852	12.7
155.14212	1.0
161.04488	1.2
163.00284	6.5
163.11169	8.9
165.01823	3.8
171.10208	1.1
175.00212	1.9
177.01834	2.5
178.99716	4.3
181.01347	5.4
181.12251	18.9
186.12329	4.0
187.03799	1.5
189.01761	1.0
190.99777	1.8
191.05484	1.1
193.01289	1.8
199.03934	1.4
199.13339	13.9
203.03442	1.4
206.99278	3.5
207.10193	30.0
208.10541	1.8
215.03468	1.1
217.04865	1.2
219.02864	1.9
225.11263	51.7
226.11542	4.2
227.03439	1.4
227.12784	2.1
229.04768	1.2
231.02933	1.9
243.02798	2.6
243.12337	36.3
244.03745	1.1
244.12761	2.0
245.04482	3.6
250.06827	1.1
253.09221	1.1
255.02850	1.2
271.02362	3.1
272.03122	1.4
273.04019	5.0
284.03189	1.8
285.03934	1.9
287.14926	3.0
299.02103	4.6
315.18143	2.7
316.02194	3.1
316.99466	1.1
317.02979	16.7
317.15948	1.7
318.03314	2.9
333.19043	1.3
341.05109	1.3
344.07013	1.4
363.20361	2.2
364.18600	4.1
370.05203	1.1
407.09756	2.6
435.08673	1.4
461.07120	2.2
461.20148	2.1
479.08704	12.4
479.21152	100.0
480.08127	1.9
480.21567	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19630	6.0
59.01248	100.0
68.33840	5.6
71.01253	76.2
71.22785	13.6
72.99179	33.2
73.02817	21.7
74.06677	5.6
75.00749	33.6
83.01273	8.4
85.02821	26.2
87.00745	16.0
89.02312	75.4
90.01837	16.9
91.00243	89.9
92.76841	5.8
93.33688	6.3
96.95875	23.6
99.00737	15.1
101.02328	46.1
109.06489	6.7
113.02311	28.3
119.03382	19.2
123.04372	6.8
125.02312	6.6
135.04407	8.7
149.04393	9.6
161.04410	11.0
171.10272	7.3
179.05557	14.3
203.10600	9.0
213.75633	6.8
221.11778	17.5
283.62180	7.2
419.19131	7.3
467.24045	8.1
479.09726	9.2
479.20642	28.5
479.25302	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
62.63715	10.3
70.34473	46.8
71.01243	56.8
72.99177	21.6
75.00731	14.7
84.52387	11.4
89.02325	18.5
96.83035	9.8
96.95872	30.5
98.20522	15.1
101.02308	26.3
101.10333	9.8
104.20375	11.2
108.03365	10.0
113.02280	18.6
135.04465	14.7
171.10147	12.4
185.32059	12.9
225.11194	16.8
382.82776	13.2
479.24841	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27667	0.4
62.29668	0.3
69.91441	2.0
78.95773	64.5
96.96833	4.7
101.70361	0.4
122.92361	0.3
140.01103	2.0
143.92957	0.4
152.99487	11.7
171.00545	12.7
189.53871	0.3
196.03737	1.0
201.57906	0.4
214.04823	2.0
226.71741	0.4
228.51559	0.4
280.58957	0.4
281.24832	100.0
282.25168	8.2
404.25684	0.8
478.29355	43.5
479.29568	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	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03326	2.1
57.23050	1.0
59.01251	100.0
66.21219	1.0
69.03335	1.7
71.01257	28.6
71.12649	2.3
72.86938	0.9
72.99196	3.2
73.02814	10.2
75.00753	1.7
78.95781	4.1
83.01275	3.6
85.02827	12.6
87.00764	4.0
89.02310	10.1
93.03348	1.7
96.95889	22.8
99.00767	4.0
101.02322	15.1
113.02316	11.5
119.03394	4.1
119.04939	2.5
120.99536	4.5
131.03409	1.1
133.02847	1.5
136.01704	1.4
143.03355	1.6
145.02771	1.0
151.00296	1.2
151.03868	2.2
152.99500	3.5
159.02873	2.2
161.04480	17.0
173.04480	1.1
179.05597	1.6
191.05548	2.1
255.19798	2.0
273.03098	1.1
273.06659	1.7
273.43228	1.2
279.12332	3.4
300.02658	1.8
301.03000	1.9
315.05063	1.3
345.40265	1.0
355.04779	1.1
417.19937	2.2
417.24988	31.7
418.25452	2.2
455.22647	2.1
455.73096	1.5
477.09735	2.3
477.22968	11.7
477.72659	2.8
478.23123	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.5
57.03312	0.9
58.00461	1.0
59.01252	100.0
60.01585	1.0
66.30827	0.6
69.03336	0.7
71.01254	31.7
71.60766	0.7
72.99190	1.4
73.02827	7.3
83.01255	3.0
85.02825	10.8
87.00772	2.8
89.02316	19.9
93.81003	0.6
95.01299	1.8
96.95895	6.4
97.02838	0.7
99.00770	2.2
101.02325	24.9
113.02332	12.6
113.05456	0.7
119.03390	8.6
125.02356	1.5
131.03427	1.7
134.03337	0.7
143.03391	3.7
147.35631	0.6
149.04453	1.0
159.02910	1.9
161.04462	13.3
179.05521	11.3
213.14964	1.0
221.06668	3.0
229.27687	0.9
237.27005	0.7
260.02832	0.6
357.19229	1.2
375.20334	5.3
417.21201	2.6
417.25616	12.0
418.25391	1.4
477.23373	12.5
478.23904	0.9
496.60736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2491
Annotation	Melissoidesin R
Peak:m/z	Relative Intensity
50.33266	0.4
55.01749	0.4
57.03329	0.7
58.00458	0.8
59.01249	100.0
60.01580	0.9
61.98703	0.6
62.28634	0.4
69.03314	0.5
71.01250	21.0
72.99187	1.3
73.02815	15.9
75.00745	0.5
83.01258	4.6
85.02824	5.9
87.00739	0.8
89.02316	7.0
95.01273	1.3
96.95888	4.1
98.19809	0.7
99.00754	1.1
101.02314	14.2
104.64296	0.4
113.02318	6.9
119.03394	2.2
125.02347	0.5
126.70440	0.4
131.03418	0.4
143.03439	0.7
147.08025	0.4
161.04512	1.6
163.54074	0.4
273.18613	1.1
302.07816	0.8
307.01947	0.7
314.40811	0.4
336.35019	0.4
343.24954	2.8
395.15265	0.9
417.22778	33.5
418.23236	3.7
434.19308	0.6
435.23840	33.6
436.24207	4.3
477.24869	46.3
478.25195	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	477.2492
Annotation	Melissoidesin R
Peak:m/z	Relative Intensity
55.01764	0.5
57.03326	0.7
58.00460	1.0
59.01249	100.0
60.01582	1.4
67.56084	0.4
71.01251	18.0
71.22235	0.8
72.99186	1.3
73.02815	12.1
83.01248	3.8
85.02825	4.6
87.00756	0.7
89.02316	7.0
93.21395	0.4
95.01277	0.8
96.95901	2.5
98.12442	0.5
99.00759	0.5
100.29002	0.4
101.02320	12.9
102.98472	0.8
113.02333	5.8
119.03383	2.1
119.28309	0.3
121.15846	0.4
125.02367	0.6
131.03436	0.4
143.03447	0.8
161.02357	0.4
161.04532	1.2
177.26595	0.3
235.02699	0.4
256.64532	0.4
273.18509	0.8
417.22803	22.7
418.23126	2.9
434.19638	0.7
435.23840	27.4
436.24115	3.4
452.20807	1.2
477.24869	10.8
478.25577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03326	0.4
58.00469	0.2
59.01254	100.0
60.01588	1.3
62.81840	0.1
69.03348	0.2
70.45868	0.3
70.46272	0.3
71.01257	4.3
72.99189	0.3
73.02818	1.5
76.48259	0.1
83.01265	0.9
85.02832	2.1
87.00760	0.5
89.02322	1.0
95.01268	0.3
95.63189	0.1
96.95890	1.9
97.02826	0.3
99.00768	0.4
101.02332	3.1
112.01554	0.2
113.02325	1.5
119.03429	0.5
124.01563	0.2
124.58733	0.1
125.02349	0.4
134.30040	0.1
135.79881	0.1
143.03387	0.2
161.04442	0.5
167.14418	0.3
172.95901	0.1
179.05582	0.5
179.98906	0.1
213.14906	2.8
213.16954	0.1
214.15140	0.2
231.15958	0.2
270.49899	0.1
288.79715	0.2
339.85034	0.1
357.19171	2.3
358.19403	0.2
375.20255	9.1
376.20517	0.8
393.21240	0.6
394.21863	0.2
417.21146	8.5
417.64069	0.1
418.21628	1.2
435.22144	1.0
477.23355	13.9
478.23535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14050	0.2
54.29668	0.3
59.01247	100.0
60.01584	1.1
62.15297	0.3
71.01250	3.6
71.14877	0.5
72.99155	0.4
73.02821	0.4
78.95813	0.2
83.01262	0.4
85.02811	1.5
89.02312	1.5
90.68324	0.2
95.01319	0.4
96.95877	1.5
101.02329	2.3
102.98502	0.5
112.95799	0.3
113.02312	3.4
113.02932	0.3
116.97164	0.4
119.03391	0.9
143.03365	0.7
161.04478	1.2
183.13730	0.4
187.11198	0.3
191.12964	0.2
195.13818	15.8
196.14250	1.0
213.14864	3.8
213.16661	0.3
215.14305	0.4
237.14990	0.5
255.15974	17.2
256.16425	1.1
291.19839	0.3
297.17197	0.9
309.20789	0.4
343.24600	0.3
437.13342	0.3
477.22635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09771	0.4
53.98625	0.6
59.01250	100.0
63.48095	0.5
68.76097	0.4
69.42809	2.7
69.43235	1.5
71.01254	4.9
72.60069	0.4
73.02818	4.3
75.09033	0.5
78.95776	0.7
83.01256	1.0
85.02838	1.0
89.02378	0.9
95.01316	0.5
96.95877	3.2
101.02325	2.1
112.98746	0.5
113.02333	1.6
125.02364	0.9
152.99422	0.6
183.13847	6.1
195.13834	6.5
197.60590	0.6
213.14902	85.6
214.15285	4.8
227.16516	2.0
237.14987	1.0
255.15906	1.6
417.28644	2.7
418.29144	0.7
435.29498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
67.49184	4.1
69.45081	14.0
69.45499	27.3
71.01252	36.2
72.99160	27.0
73.02818	11.7
75.00742	22.0
85.02820	14.2
87.00764	11.0
88.00244	7.4
89.02318	56.6
90.01854	17.4
91.00242	93.6
96.95880	20.1
99.00765	10.3
101.02324	21.4
102.04172	5.8
102.45663	6.4
113.02309	14.8
118.97864	4.4
119.03400	11.8
121.02715	4.9
138.68811	4.5
153.09096	12.7
161.04427	10.5
179.05486	6.4
181.05006	5.9
205.12254	6.7
477.19568	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22692	1.5
59.01250	82.5
62.27154	1.4
67.79208	1.5
69.47000	7.5
69.47429	5.6
71.01254	12.4
72.99191	2.6
73.02818	3.7
85.02811	3.3
89.02306	4.9
93.90893	1.4
96.95892	7.3
99.00750	2.9
101.02325	8.3
113.02323	5.7
119.03388	2.0
121.02828	9.7
133.04955	3.1
135.04355	2.1
143.03374	1.9
157.04912	1.6
161.04419	16.5
162.01863	1.5
166.06258	73.2
167.06551	2.8
181.08615	100.0
182.08875	4.5
196.64600	1.7
235.08228	10.3
252.37660	1.5
267.09833	3.6
328.67932	1.4
379.06232	2.1
408.21298	1.6
415.16345	2.5
417.17587	6.6
464.00262	1.7
477.06442	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88032	1.1
59.01248	100.0
60.01579	3.1
61.01656	2.8
71.01248	20.0
71.58432	1.3
71.58823	2.2
72.99162	2.4
73.02821	9.3
79.03210	1.1
79.95610	1.9
83.01254	4.4
85.02821	4.8
87.00722	4.0
89.02295	7.1
96.95272	2.1
96.95879	35.4
98.95554	1.4
101.02318	13.0
109.50087	1.2
111.00281	1.3
113.02327	6.1
117.06377	1.2
118.97976	1.5
119.03365	1.8
182.01637	1.2
195.10110	1.5
244.98462	1.3
332.60043	1.7
335.17227	2.4
391.19812	4.0
415.19647	4.9
433.20731	55.3
434.21216	6.2
435.21881	2.6
477.23465	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49821	2.0
55.01759	3.3
57.03328	2.8
59.01249	100.0
60.83068	2.3
65.39904	2.1
69.03332	2.7
69.30911	14.6
69.31339	5.9
71.01249	48.0
71.04906	2.1
72.99189	3.3
73.02818	27.4
79.43464	1.9
83.01256	10.0
83.04929	3.5
85.02817	12.7
87.00752	5.9
88.19588	2.2
89.02311	25.2
93.03352	2.0
95.01273	5.6
96.95924	5.5
97.02788	3.5
99.00769	8.6
101.02316	33.2
106.86446	1.9
113.02333	18.0
115.03876	3.9
119.03368	3.5
131.03395	2.9
133.02859	9.1
135.04369	4.4
145.04907	2.3
149.02310	2.4
161.02359	17.4
161.04480	3.9
164.03471	3.5
177.01956	2.4
179.03453	3.2
188.26988	1.9
197.11757	29.6
211.13312	14.1
214.02643	2.6
229.14319	2.8
241.10735	3.9
243.02968	2.7
255.15981	12.0
271.02438	5.1
277.58237	2.0
285.04028	4.7
287.02023	5.7
297.03958	2.8
299.02011	4.4
315.01468	4.7
329.05862	2.2
334.74997	2.5
345.19232	6.5
373.18719	5.1
391.19785	19.4
414.45700	2.3
415.14227	2.2
417.20648	5.0
433.20764	89.1
434.20959	10.7
435.22379	3.3
449.07098	3.4
462.08023	4.1
477.07138	6.1
477.13373	3.2
477.19626	29.5
477.23849	20.6
477.30637	5.5
478.07657	4.5
478.19611	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51724	0.3
55.01722	0.3
57.03315	1.2
59.01253	10.4
60.01589	0.3
69.03311	0.4
69.26122	3.4
71.01250	5.9
72.99188	0.6
73.02821	2.8
75.00748	0.6
78.39488	0.3
79.37837	0.3
81.03378	0.3
83.01253	0.8
83.04868	1.6
85.02827	2.2
87.00748	25.9
88.41266	0.3
89.02306	1.6
91.32712	0.3
91.59522	0.3
95.01252	0.4
96.95888	5.5
97.06490	0.4
99.00745	0.7
99.04386	0.3
101.02308	3.0
113.02319	1.5
118.97939	0.4
119.03353	0.4
119.04864	0.3
119.08541	2.4
125.09624	0.4
133.02899	0.5
137.06021	0.4
138.22937	0.3
149.00775	0.4
153.01834	0.4
155.10625	0.4
161.04453	0.8
171.11710	0.4
173.13252	0.5
189.12778	6.1
190.13010	0.5
191.10738	1.5
191.14342	1.0
197.02101	1.0
199.11266	0.5
207.13882	0.5
211.16957	4.0
215.10599	0.3
217.12263	2.9
229.14355	0.5
233.11740	0.8
235.13351	8.8
243.02965	0.5
255.15952	0.7
261.11301	1.5
271.02417	0.4
279.12360	100.0
280.12717	7.7
285.03873	0.5
299.02213	0.4
301.06146	0.5
314.04181	0.5
345.31821	0.3
377.18951	0.3
417.21045	0.6
435.22293	1.1
477.10379	0.5
477.15317	2.9
477.23438	5.9
477.30444	1.0
478.15692	0.4
478.23291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1188
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
52.85669	1.0
56.02678	0.8
59.01248	14.1
63.02277	0.8
65.00204	2.3
71.01258	1.7
71.57233	1.4
78.95773	3.1
83.01262	1.4
85.02863	1.0
96.95887	17.4
97.02847	0.8
106.73168	1.0
107.01253	3.4
125.02276	1.1
141.29213	0.8
151.00267	9.3
152.99541	2.0
159.04459	1.8
167.40836	1.0
171.10138	1.5
185.02245	1.1
185.11760	1.0
192.13882	1.1
197.11700	1.1
205.06610	1.2
233.06073	1.0
237.05544	2.2
242.85088	1.1
249.05682	5.1
261.05557	1.5
265.05106	2.9
265.57446	1.0
269.04544	6.2
270.05283	3.5
275.07242	1.0
282.05298	1.0
291.19504	1.4
297.04044	20.3
298.04697	12.4
309.20700	6.4
311.05698	1.9
312.06339	2.4
317.08078	1.9
326.04245	1.3
330.03876	2.8
339.05179	3.9
340.05807	1.0
341.06717	4.0
343.06061	1.2
344.05362	5.8
345.07565	4.3
356.06763	1.5
357.07660	5.0
361.07181	2.7
371.05515	2.6
372.06207	2.2
373.07117	7.1
374.07700	1.1
384.06354	1.3
385.07159	6.7
386.07715	2.0
388.09586	3.0
389.06644	15.5
390.06848	2.0
400.05569	2.3
401.06680	31.7
402.06934	3.4
403.08292	1.3
412.05798	1.4
413.06662	21.1
414.07361	7.1
415.08133	2.8
416.09204	6.2
417.00574	1.4
417.06134	33.1
418.06567	6.4
427.08093	2.9
428.09030	13.4
429.05920	39.9
430.06366	3.4
431.07831	2.5
432.08438	16.0
433.09113	5.8
443.07742	2.0
444.08539	19.3
445.08740	2.3
447.10831	61.6
448.11136	8.4
459.10831	100.0
460.11188	14.9
477.11960	29.0
477.22903	3.1
478.12027	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01251	2.6
61.32769	0.4
61.95713	0.3
63.02255	0.4
65.00200	0.6
69.29080	0.9
69.29506	3.3
71.01254	1.0
73.02808	0.5
79.95586	0.6
83.01212	0.7
85.02831	0.7
85.48511	0.4
93.03296	0.4
96.95887	5.1
98.20564	0.8
101.02279	0.8
107.01289	0.8
110.04504	0.4
123.00790	0.4
124.01575	0.5
125.02315	1.5
133.02840	0.4
135.04364	0.5
137.02316	1.3
149.99512	0.5
151.00272	2.8
168.00595	1.3
169.01323	0.6
169.71434	0.4
171.04469	1.0
175.03946	0.8
177.05562	0.4
178.99745	0.7
179.03340	0.4
187.03978	0.8
199.03934	4.0
201.01903	2.0
203.03413	0.9
204.04095	0.7
215.03419	3.9
226.02644	0.7
227.03412	4.4
229.01414	0.8
230.02313	0.4
239.05560	0.5
242.02141	10.5
242.04597	0.6
243.02936	41.5
244.03320	3.1
255.03018	0.8
257.04517	11.6
258.04825	0.9
270.01688	13.6
271.02451	46.0
272.02811	3.5
285.04041	27.1
285.06628	0.4
286.04712	7.7
287.04999	0.7
299.01932	8.7
300.02722	4.6
308.13211	0.4
314.04288	46.9
315.04926	11.1
316.05377	0.5
331.06683	0.5
357.06235	1.1
477.10333	100.0
477.23538	2.3
478.10678	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	477.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
57.10761	0.5
58.75030	0.7
59.01254	18.5
63.02249	0.5
65.00201	1.2
69.26749	5.9
71.01249	2.2
73.02798	1.1
78.95773	1.0
83.01250	1.7
85.02820	1.3
89.59103	0.5
96.95894	15.8
97.03512	0.6
98.20534	1.1
101.02316	1.1
105.15160	0.5
107.01268	3.7
113.02328	1.2
132.02100	0.9
133.02843	12.4
133.03809	0.9
134.03426	0.6
137.02351	1.5
149.02336	2.7
151.00278	8.3
152.99483	0.8
162.04593	0.5
175.03949	4.5
185.05890	0.6
198.03070	0.5
199.03947	3.6
200.72260	0.7
201.01830	1.6
213.05591	0.9
215.03442	0.7
217.05035	1.9
223.04135	1.1
231.88419	0.5
240.04135	0.9
241.05052	1.1
243.03041	1.7
255.02991	4.3
256.03745	9.8
257.04324	1.2
283.02463	5.7
284.03265	24.1
285.04037	100.0
286.04364	6.0
341.32602	0.7
390.07590	0.6
417.28632	2.2
424.88211	0.6
433.09274	84.8
434.09625	9.0
435.29599	2.5
477.26810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02861	0.2
59.01265	0.3
62.96278	0.2
64.17057	0.2
70.02568	0.6
70.02984	0.5
75.62302	0.2
78.95775	29.7
81.77039	0.2
96.96846	2.0
112.97528	0.2
116.68832	0.2
122.00008	0.3
140.01068	2.4
152.99483	4.1
171.00554	5.3
196.03680	1.3
214.04810	2.8
261.22244	0.5
279.23276	100.0
280.23621	8.6
344.00528	0.2
345.99554	0.2
402.24066	0.4
434.08093	0.2
476.27795	22.8
477.28085	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.7
62.96264	0.5
70.30066	0.2
71.46581	0.2
73.23953	0.1
78.95770	20.3
79.58459	0.2
81.70654	0.1
97.76705	0.2
104.97362	0.2
121.99987	0.9
134.98421	0.3
140.00009	0.4
140.01074	5.5
146.96494	0.2
152.99457	1.7
166.02594	0.2
196.03722	10.9
197.04053	0.2
214.04807	2.9
261.22208	0.3
279.23260	100.0
280.23596	8.7
280.26758	0.4
415.22107	0.3
476.27798	24.5
477.28058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82861	0.2
57.03357	0.2
59.01250	100.0
60.01592	1.4
61.01675	0.4
63.79038	0.2
70.72950	0.7
71.01257	3.1
72.95148	0.2
72.99187	0.5
73.02819	1.1
74.98984	0.3
83.01280	0.7
85.02841	0.7
87.00783	0.3
89.02315	1.7
96.95918	0.6
99.00766	0.3
101.02316	2.3
107.70737	0.2
113.02336	1.1
118.98032	0.3
119.03392	0.6
119.55934	0.2
121.32945	0.3
138.64783	0.2
143.03435	0.3
161.04503	0.9
195.13837	3.9
213.14897	4.8
214.15338	0.6
217.00299	0.3
227.06892	0.3
239.12923	0.3
355.21234	1.3
373.22266	3.1
385.13028	0.3
415.23373	3.4
416.23846	0.8
475.21426	2.4
476.22684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01589	1.1
71.01249	2.9
71.58578	0.6
73.02834	0.8
83.01270	0.7
85.02854	1.2
87.00764	0.5
89.02341	1.1
91.34626	0.4
95.01286	0.5
96.95910	1.3
99.00784	0.5
101.02343	1.7
110.02401	0.5
111.01890	3.8
112.98731	0.6
113.02359	1.2
116.19308	0.4
118.97971	1.0
120.29279	0.4
133.02849	0.4
135.04402	0.7
161.04451	0.7
181.08568	0.4
197.63779	0.4
213.15010	1.6
301.10214	0.6
355.21149	0.6
373.22290	4.0
415.23236	3.5
475.25314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
57.03310	1.2
59.01247	100.0
60.01587	1.1
65.07652	0.6
68.59026	0.6
69.03309	0.6
71.01247	24.2
72.99208	0.9
73.02816	9.4
74.99114	0.6
79.95610	0.8
82.74595	0.6
83.01241	4.2
85.02818	8.3
86.99975	0.6
87.00756	4.3
87.04386	2.3
87.79066	0.6
89.02312	12.1
89.02881	0.8
91.62067	0.6
93.03348	1.9
95.01289	2.6
96.95885	22.0
97.02828	1.1
99.00759	2.0
99.60477	0.6
101.02312	16.5
101.05989	0.8
108.02073	0.7
109.83086	0.7
111.00735	1.3
113.02315	11.7
118.96861	0.6
119.03379	5.5
125.02348	1.5
131.03403	1.2
133.02783	0.8
135.04459	0.7
137.02364	1.7
143.03426	2.3
159.02969	0.7
159.06593	0.9
160.51010	0.6
161.04449	6.2
175.04002	0.8
177.01871	1.0
179.03520	0.5
179.05528	3.6
190.87393	0.6
191.05640	0.6
192.96143	0.6
193.04906	0.8
196.30898	0.6
271.19263	1.3
301.16675	1.9
327.17981	4.6
327.39563	0.7
345.19284	1.8
397.22336	0.7
415.23447	13.6
415.60229	0.6
416.24008	1.6
433.24579	10.2
434.25043	1.8
475.22046	1.5
483.94077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44750	1.6
59.01251	7.3
60.09676	1.2
62.37266	1.3
64.33567	1.2
71.29460	2.1
78.95778	12.7
84.21109	1.3
95.57935	1.3
119.62375	1.2
120.96808	3.6
124.87844	1.3
128.36986	1.2
138.97899	3.0
146.81924	1.3
152.99463	3.7
165.23419	1.2
195.00548	4.9
213.01631	2.1
214.49875	1.3
229.30739	1.2
233.22925	1.2
277.21762	2.3
279.23270	100.0
280.23553	10.2
393.19565	1.5
475.24747	18.3
475.35385	4.4
476.25436	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42896	0.5
55.01752	1.1
57.03328	1.0
58.00477	0.8
59.01251	100.0
59.14883	0.4
60.01584	0.8
68.19200	0.6
69.03310	0.8
69.80091	2.5
71.01254	26.8
72.99184	2.0
73.02818	10.6
75.00714	0.5
77.96494	0.4
81.03342	0.5
81.90391	0.5
83.01257	3.9
85.02822	8.4
85.99988	0.8
87.00751	3.7
87.04398	4.2
89.02314	13.7
93.03317	3.6
95.01278	2.4
95.04908	0.5
95.95171	0.7
96.95892	14.5
97.02860	0.5
98.95493	0.6
99.00793	2.2
101.02322	17.2
111.00775	1.2
113.02333	14.0
119.03390	6.4
125.02376	1.9
126.78186	0.5
131.03387	1.0
133.02873	0.7
134.03680	0.5
135.04405	0.9
137.02336	3.5
143.03429	2.7
143.95757	0.6
147.11746	0.6
149.04652	0.5
156.67406	0.5
159.02942	1.0
159.06601	1.6
160.01605	1.4
161.02431	0.8
161.04468	7.8
175.03984	1.9
177.05417	0.7
179.03406	0.6
179.05582	3.6
188.12099	0.5
193.05028	1.1
231.08728	0.5
240.38033	0.5
253.14493	0.8
271.19238	2.1
301.16605	3.5
327.18103	7.3
328.18457	0.6
337.09451	1.8
338.23532	0.5
345.19217	3.3
379.21207	0.5
397.22565	1.6
415.23392	21.6
416.23944	2.7
433.24469	16.3
434.24902	1.6
475.11328	0.5
475.22476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	62.3
68.81052	6.1
69.52878	21.0
69.53294	27.8
71.49593	5.9
73.04861	6.2
73.34605	5.8
78.95763	14.7
93.93324	7.1
98.20567	11.7
101.94747	6.5
109.92894	6.2
140.13965	6.0
143.25473	7.3
201.09433	6.6
217.00137	11.1
241.95073	6.5
277.21680	51.2
278.21878	7.8
279.23279	100.0
280.23709	11.1
311.16925	11.5
376.30817	7.5
475.24457	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2117
Annotation	Fuscaxanthone A
Peak:m/z	Relative Intensity
50.33562	0.9
58.02839	8.6
58.24935	1.0
58.99220	1.2
58.99471	12.7
59.01246	38.8
70.02839	1.8
71.01260	5.4
71.06705	2.1
73.02813	2.0
74.02338	10.4
74.98963	1.5
78.95799	1.4
80.04922	2.3
82.02864	1.9
83.01233	2.3
83.04877	1.2
85.02815	2.1
85.03938	1.1
86.05972	1.3
87.00748	2.6
89.02303	1.9
96.04433	7.8
96.95861	5.0
97.03957	7.9
97.89007	0.9
98.02341	5.8
98.95451	1.8
99.05499	12.0
100.00257	2.3
101.02348	6.3
102.98464	41.6
108.04427	7.8
109.03954	1.7
110.02346	3.1
112.03937	11.0
112.07564	12.3
113.03429	4.5
119.03307	1.5
122.05956	3.9
124.03931	7.7
125.03400	2.8
125.04699	3.9
126.04205	1.2
126.05488	2.1
127.05027	11.2
137.07109	5.4
138.05458	2.8
140.07050	16.0
141.97644	1.2
142.97697	2.8
143.04512	3.6
150.04211	1.3
152.03415	5.0
152.87334	1.2
155.08160	26.8
165.06592	19.8
181.06128	1.3
183.07669	42.5
184.98816	9.7
209.05569	3.4
213.14900	6.0
225.05089	3.2
227.06673	100.0
228.06984	4.2
247.13707	10.7
321.04764	1.4
415.23380	1.5
475.21054	54.6
476.21365	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	475.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96227	1.0
52.63490	1.1
57.03313	2.1
58.02846	8.7
58.99463	1.7
59.01249	100.0
60.01571	1.4
61.98688	1.6
69.03901	1.0
70.02837	1.5
71.01250	11.6
71.29620	2.1
73.02797	4.9
74.02338	12.1
78.95751	2.2
80.04940	1.6
81.03333	1.2
82.02850	2.0
83.01239	3.4
83.04871	1.6
84.04366	1.4
85.02808	5.2
87.00730	4.3
87.99411	1.1
89.02315	5.9
89.02769	1.1
94.28103	1.1
95.01258	1.2
96.04413	10.0
96.95876	4.6
97.03947	7.6
98.02354	5.2
99.00731	2.1
99.04342	1.1
99.05515	11.6
100.00260	2.5
101.00508	1.0
101.02308	8.5
108.04453	7.9
108.94398	1.3
109.03899	1.4
110.02354	3.1
111.03159	1.1
112.03926	9.9
112.07551	9.5
113.02335	6.9
113.03404	3.8
113.97359	1.1
118.97926	1.9
119.03387	2.4
122.05979	3.4
124.03940	6.9
125.02319	1.4
125.03373	2.3
125.04668	4.5
126.04096	1.4
126.05502	1.2
127.04298	1.2
127.05028	12.4
133.02794	2.3
135.04367	3.0
137.07053	4.8
138.05408	1.3
140.06125	1.5
140.07063	16.6
143.03352	1.6
143.04472	3.8
149.00795	1.7
152.03387	3.8
152.88733	1.0
155.08154	25.8
161.02278	1.5
161.04419	2.6
165.06583	18.4
166.04977	2.8
173.19208	1.1
179.03445	2.2
179.10616	1.1
183.07661	35.2
195.13820	1.1
209.05597	2.1
211.13313	5.6
213.14955	5.7
225.05086	3.4
225.14787	1.6
227.06685	90.5
228.06981	5.6
229.81494	1.3
235.13303	2.1
247.13702	9.8
253.14362	1.9
288.32187	1.1
296.70996	1.2
346.32806	1.2
364.36807	1.2
415.23361	6.4
433.24136	3.7
457.94568	1.1
475.20944	53.4
476.21338	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	475.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03320	1.4
58.02839	8.9
59.01249	40.9
68.53659	0.8
69.60115	7.0
71.01258	5.9
72.99153	1.1
73.02818	2.3
74.02339	10.7
82.02834	2.4
83.01241	4.7
83.04902	1.7
84.04394	1.1
85.02826	2.3
85.03917	1.5
86.02338	1.1
86.22556	1.0
87.00758	2.2
89.02299	3.0
96.00806	0.9
96.04420	9.6
96.95887	22.9
96.96819	1.1
97.03937	9.8
98.02341	4.5
98.19747	1.0
98.95469	2.3
99.00742	1.8
99.05504	14.3
99.92464	7.6
100.00274	2.9
101.02339	5.9
102.98462	2.4
108.04426	10.1
109.03947	3.6
110.02339	3.0
110.05971	1.3
112.03921	11.7
112.07567	11.3
113.02316	2.8
113.03448	5.4
113.04115	0.9
115.91960	13.6
116.01596	0.9
116.91994	1.6
116.92740	13.9
118.18125	0.9
119.03407	1.0
120.99496	3.0
122.05985	3.9
124.03928	9.0
125.03416	2.8
125.04741	5.7
126.05493	2.6
127.05017	13.9
127.08630	1.2
137.07085	7.0
138.05493	2.2
139.08597	1.0
140.07065	16.3
143.04488	2.8
149.58601	1.1
152.03433	5.4
155.08156	26.2
161.04585	1.8
165.05312	1.4
165.06606	20.8
166.04982	1.9
181.06068	2.5
183.06030	2.2
183.07666	43.0
193.31982	1.1
195.13799	4.4
209.05606	2.5
213.14952	6.1
225.05084	2.9
225.24800	0.9
227.06668	100.0
228.06972	3.7
247.13675	13.1
269.12915	1.5
279.45508	1.2
281.04807	0.9
295.10941	1.8
297.07822	1.9
311.05850	1.4
313.11795	1.9
439.10577	6.0
475.12775	20.0
475.21164	55.8
476.13126	3.0
476.21429	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.8
58.99485	3.5
59.01250	60.9
69.51707	9.2
69.52128	4.0
70.28202	1.5
71.01248	18.3
73.02818	10.9
75.00734	2.5
78.95797	1.7
83.01262	5.0
84.84045	1.7
85.02809	8.6
87.00738	2.0
89.02346	3.8
93.06404	1.6
95.01286	2.0
96.95883	11.8
98.19823	3.8
99.00749	2.2
101.02325	13.7
102.98472	21.6
109.02837	2.6
111.07990	2.8
113.02326	5.9
119.04936	2.5
122.15456	1.7
135.04396	3.4
145.02718	1.9
152.93988	1.9
161.04474	3.8
165.12752	28.1
166.13055	2.6
183.13817	70.6
184.14131	6.1
184.98743	5.3
191.05530	2.0
195.13835	5.7
203.05577	2.1
207.13847	2.8
209.11800	3.9
225.11351	2.1
227.12825	100.0
228.13126	5.7
246.07631	2.1
251.12820	6.9
253.18108	1.6
263.12463	1.9
269.13861	2.0
271.19019	3.3
283.02457	2.2
314.17386	1.7
330.17337	2.3
331.18420	2.0
415.23334	3.7
433.24411	4.2
475.06769	7.2
475.25864	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84919	1.8
59.01252	100.0
69.03339	3.7
69.08921	1.8
69.96839	5.9
69.97236	3.1
71.01254	26.9
72.99200	5.0
73.02817	57.1
75.00729	2.5
83.01254	5.1
85.02838	11.5
87.00753	4.4
89.02311	15.8
94.41116	2.1
96.95889	4.0
97.02840	2.8
98.20486	2.2
99.11823	2.1
101.02314	19.5
109.06481	2.5
113.02334	20.1
119.03408	3.7
121.02827	2.2
125.02315	2.4
149.00778	5.1
151.03908	4.2
161.04469	4.4
165.05444	2.4
178.36488	2.1
179.05534	3.4
191.30516	2.0
201.01503	2.4
219.26399	2.3
389.18112	9.6
431.19180	57.8
432.19717	6.3
475.21988	12.6
481.86612	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89737	1.0
59.01228	1.4
60.48019	1.0
71.01250	4.5
71.56625	1.4
72.99158	1.7
78.95762	1.0
79.95605	6.4
80.96378	6.0
82.78373	1.0
89.02321	2.5
94.82030	1.1
95.95178	1.1
96.95885	100.0
97.95806	1.1
98.95461	10.1
98.96307	1.7
101.02341	1.2
111.00738	2.3
114.74452	1.3
115.00256	7.0
125.34045	1.1
132.94531	1.1
133.01332	17.2
133.04971	5.6
134.01682	1.2
134.91489	17.7
135.04358	1.3
142.07182	1.2
166.27765	1.2
171.08018	3.6
173.09659	2.5
197.09604	9.0
211.92456	1.2
215.10704	8.8
220.91533	11.8
231.10080	1.5
259.09567	3.2
295.06415	11.7
313.13034	1.4
337.03769	4.8
339.05527	20.7
340.05753	1.8
340.14871	1.1
341.10837	1.8
354.18008	1.1
366.11572	1.1
395.02036	6.3
421.49774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03339	1.4
59.01250	83.3
60.01605	1.3
71.01249	25.8
71.35400	2.2
72.01569	1.0
72.98808	1.1
72.99191	3.8
73.02818	100.0
83.01270	5.8
83.02373	1.1
83.04952	1.0
85.02829	4.2
87.00761	5.8
88.00280	1.5
89.02314	21.4
89.02832	1.9
90.94397	1.2
95.01287	1.1
95.17057	0.9
96.95911	2.5
99.00758	2.1
99.04389	1.7
101.02315	20.8
106.04231	1.0
107.04893	1.1
109.06466	3.2
113.02348	9.0
119.03392	3.4
123.00800	1.2
131.03392	1.6
135.08052	7.2
143.03384	1.8
149.00824	3.5
149.04362	1.7
151.03906	3.2
158.98524	1.1
161.04434	5.5
161.13304	1.6
165.05486	1.1
171.21890	1.1
175.03905	2.3
176.52017	0.9
179.05540	2.2
193.21097	1.0
215.07643	1.1
253.14372	9.5
259.09570	1.8
304.81049	1.1
357.15219	1.4
389.17944	1.2
415.19406	2.1
431.19244	22.4
431.24622	0.8
432.19370	2.0
433.20581	1.9
475.21866	24.5
476.22000	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.4
69.49446	5.4
70.99475	2.3
71.01255	6.3
72.99172	1.0
73.02807	2.4
74.98960	1.2
79.53226	0.6
83.01248	1.3
85.02824	2.2
87.00770	1.9
89.02326	4.7
95.01288	0.7
96.95896	1.8
101.02338	4.4
102.98471	0.8
105.22417	0.6
113.02341	2.2
113.18441	0.7
119.03369	0.8
120.59743	0.7
120.98665	1.2
120.99546	21.4
123.00782	12.8
135.04456	0.7
137.02409	0.7
138.03130	48.8
139.03481	1.6
149.00853	1.4
149.04440	0.8
153.05486	100.0
154.05800	4.3
161.02341	6.7
161.04460	2.3
175.03917	1.4
176.04720	8.2
177.05432	2.1
191.05447	1.2
191.07074	11.3
192.07346	0.8
194.00380	2.0
195.01126	2.7
208.02057	0.7
209.02718	5.1
210.03496	5.8
211.61310	0.7
223.04335	2.1
225.05861	69.8
226.06189	3.5
253.14589	1.4
285.56137	0.6
313.07544	10.0
313.45795	0.6
314.07831	1.7
343.17764	0.7
355.08752	0.9
387.11157	14.2
387.15625	1.1
388.11621	1.5
475.12848	23.3
475.22220	5.6
476.13309	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.088
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01750	0.7
56.40756	0.4
57.03312	2.3
58.00472	0.5
59.01248	25.2
60.01577	0.4
61.00417	0.4
68.99696	0.7
69.03336	0.5
69.88651	1.9
71.01254	13.5
72.01591	0.4
72.85057	0.5
72.99181	2.5
73.02827	2.1
75.00744	5.1
83.01244	1.2
85.02821	20.9
87.00747	4.1
89.02308	3.4
95.01261	6.7
96.95893	3.2
99.00752	7.9
101.02332	3.3
103.00246	3.5
107.01254	1.3
111.00756	0.9
113.02327	41.0
114.02669	1.0
115.00231	1.8
117.01801	2.3
119.03376	0.7
121.33463	0.5
129.01804	1.8
133.02873	0.5
134.03587	1.3
135.04436	0.4
139.00301	0.5
148.01553	0.6
149.00815	2.6
149.02115	0.8
151.00284	1.7
157.01334	1.1
161.04485	1.0
165.01772	0.6
175.02403	10.9
211.03789	0.6
227.03477	0.8
232.12798	0.4
253.14395	0.6
255.02977	0.9
255.61208	0.4
256.03723	5.2
283.02420	0.7
284.03247	85.3
285.03677	6.2
299.05591	100.0
300.05920	7.2
415.23340	5.1
433.24341	1.0
475.08801	6.1
475.21762	1.4
476.09415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30268	0.3
59.01256	1.0
60.83270	0.3
66.17349	0.3
66.30138	0.3
69.92349	0.3
71.52875	0.5
71.53230	0.3
78.95773	100.0
90.53953	0.3
96.96840	7.9
107.89758	0.3
124.78382	0.3
133.41289	0.4
140.01076	2.5
150.94138	0.4
152.29050	0.3
152.99489	15.0
171.00558	16.6
196.03770	1.2
199.73828	0.3
206.85117	0.3
208.86015	0.3
214.04836	3.1
244.22916	0.3
245.58098	0.4
250.21783	0.4
259.20770	0.5
274.98199	0.3
277.21701	73.5
278.22028	6.6
279.68661	0.3
400.22580	1.3
474.26230	52.4
475.26572	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
62.96244	0.3
69.32167	0.5
69.32574	2.0
71.01233	0.6
75.50245	0.2
78.95772	28.1
81.84489	0.2
85.46345	0.2
85.72795	0.2
96.96841	0.5
101.15469	0.3
108.25218	0.2
121.99997	0.9
122.98415	0.4
131.89296	0.2
140.01074	6.7
146.60188	0.3
152.99458	2.3
166.02646	0.3
171.00475	0.4
196.03712	13.7
197.04144	0.5
211.17183	0.2
214.04782	2.3
217.00229	0.6
227.93922	0.3
233.22816	0.4
259.20557	0.4
275.20062	0.5
277.21695	100.0
278.22031	8.9
278.26871	0.3
331.06192	0.3
409.80765	0.3
474.26236	28.2
475.26505	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	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36036	3.2
59.01252	63.4
61.55866	3.1
71.01262	24.2
71.58736	6.2
75.00745	7.6
78.95777	84.0
89.02317	28.5
95.04897	5.8
96.95896	8.4
96.96846	9.6
101.02325	6.8
113.02323	6.4
121.10139	7.7
135.04449	4.8
149.00797	6.3
152.99493	21.3
157.64963	3.4
171.00565	12.7
171.10175	8.8
174.45018	4.3
174.99117	5.9
179.03448	5.1
179.05409	6.6
195.00462	5.8
202.73848	3.9
204.81241	3.5
214.04831	4.5
217.00238	24.8
238.55794	4.1
269.06970	4.1
274.40857	3.7
275.20175	15.3
277.21719	100.0
278.21942	8.6
293.21243	19.4
315.19516	5.2
354.09882	8.1
375.21191	12.2
391.17987	84.5
392.18393	10.1
473.23160	14.0
473.36914	25.7
474.26382	45.8
474.36789	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2907
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
50.88751	0.5
58.87641	0.6
59.01250	1.4
60.87458	0.5
69.67374	4.1
78.95770	0.6
95.04897	1.0
98.20571	0.5
105.03349	4.2
117.03333	1.1
132.02077	7.3
133.02852	16.5
134.03654	15.0
134.04637	1.4
135.04430	5.4
137.02357	4.3
139.03896	0.8
147.04434	1.1
148.05203	4.3
149.05972	0.6
150.03098	0.8
160.01570	44.4
161.02361	9.3
161.06004	2.6
162.03114	0.9
175.03925	100.0
175.45592	0.6
176.04253	4.7
177.01801	1.0
178.02638	2.5
179.03413	3.6
193.05002	7.2
194.02127	0.6
204.11458	0.8
216.53412	0.6
218.13297	0.7
233.08109	1.4
244.20032	0.5
247.09697	1.4
261.11148	0.9
273.81543	0.6
275.12885	1.6
297.24347	11.7
329.17606	1.0
330.18475	1.0
343.19019	3.2
357.20740	0.8
373.27203	1.2
385.23654	0.8
410.68707	0.8
426.65967	0.8
441.26324	5.1
442.27182	0.9
473.29019	62.7
474.29370	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	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01587	1.1
69.03315	0.5
69.81075	1.1
69.81506	1.3
71.01261	1.4
78.95791	1.2
87.00760	0.5
96.95911	1.1
101.02339	0.6
118.82392	0.4
135.04433	1.0
139.93246	0.4
141.91969	0.4
149.00880	0.7
176.67654	0.4
179.03455	0.7
217.00302	0.4
237.14980	0.6
277.03070	0.4
371.20834	0.5
413.21906	0.4
473.27771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39015	0.5
59.01247	100.0
60.01575	0.9
70.29784	0.7
70.30186	1.3
71.01241	1.0
87.00755	0.6
89.02332	0.9
95.16375	0.6
96.95894	0.8
101.02338	0.6
125.08944	0.5
135.04424	1.9
137.02435	1.0
149.00824	1.8
174.99103	1.2
179.03423	2.5
199.07570	1.0
217.00232	4.1
251.16537	0.6
287.15115	0.6
300.71429	0.5
313.46408	0.5
339.04886	0.6
341.13892	1.0
371.21387	0.6
397.84958	0.5
463.22446	0.5
473.27231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93970	0.4
54.76593	0.4
59.01251	100.0
60.01591	1.1
69.59840	2.2
69.60245	0.9
71.01268	0.6
73.02806	0.8
77.07309	0.4
85.02839	0.5
89.15459	0.4
90.31351	0.4
90.31927	0.4
96.95877	0.6
101.02375	0.8
146.18744	0.4
165.12778	0.8
207.13907	1.0
209.11801	1.0
244.45853	0.5
251.13040	0.4
261.99240	0.4
269.13931	10.3
270.14474	1.0
385.37378	0.5
394.48517	0.5
397.67670	0.5
456.34387	0.6
497.68112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47469	0.4
59.01251	100.0
60.01572	0.9
61.98716	0.4
69.03327	2.4
69.53217	2.9
71.01262	3.0
72.99191	0.4
73.02814	2.4
78.95769	0.4
79.94064	0.3
82.64911	0.4
83.01293	0.7
83.04905	0.5
85.02834	1.3
85.07655	0.4
87.00768	1.3
89.02344	1.5
89.35912	0.3
93.19687	0.4
96.95892	4.5
96.96417	0.4
97.02866	0.8
99.00776	1.1
101.02326	2.1
106.98930	0.3
109.02895	0.5
109.40458	0.4
112.98724	0.7
113.02359	1.5
117.25644	0.4
119.03408	0.4
135.04401	2.4
141.01831	0.6
143.03381	0.4
149.00845	2.3
149.02066	0.3
161.04630	0.5
165.12924	0.4
170.88289	0.7
173.09703	0.4
179.03368	2.0
185.00903	1.4
251.12813	0.6
253.18091	0.8
269.14017	2.8
269.17178	0.4
287.15182	1.3
306.20798	0.4
311.11584	0.8
311.15012	0.6
334.83362	0.4
393.59991	0.4
431.22897	0.8
473.17709	0.4
473.23944	3.5
474.24518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67626	0.6
54.63634	0.5
59.01247	100.0
60.01578	0.7
69.83595	0.5
71.45177	0.7
71.45522	0.7
78.95768	2.6
79.62782	0.4
92.04076	0.5
96.95889	0.7
134.89380	0.5
143.23941	0.5
149.00903	0.7
157.12267	2.0
171.00620	0.6
174.99202	3.4
181.70535	0.5
194.92758	0.7
217.00224	13.1
225.71834	0.5
315.11093	3.7
411.32162	0.8
429.34180	0.5
432.67911	0.5
473.10452	1.6
473.32489	3.6
474.26721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55065	0.2
55.92580	0.2
57.03321	1.7
58.00459	0.3
59.01248	100.0
60.01576	1.7
61.01669	1.1
66.33954	0.2
68.61126	0.3
69.03322	0.9
70.73144	0.9
71.01250	6.6
72.99184	0.5
73.02815	7.4
83.01259	1.9
83.04904	0.4
85.02829	1.0
87.00758	0.5
87.02824	0.3
89.02331	0.7
95.01295	0.3
97.02813	0.4
97.06503	0.4
99.00758	0.5
99.04389	2.3
101.02316	5.0
104.86452	0.3
109.06458	0.8
113.02332	1.7
119.03390	0.3
121.06473	0.3
125.02306	0.2
133.17670	0.3
135.04446	0.7
143.03360	0.3
149.00798	0.7
161.04486	0.8
161.13269	0.3
163.11232	0.6
164.89795	0.2
165.12761	3.7
166.13118	0.4
179.03416	0.6
181.12224	1.5
185.00829	0.4
189.12767	1.2
191.10725	0.9
203.05528	0.4
207.13840	16.1
208.14165	1.1
209.11755	9.3
225.11255	0.7
225.14873	2.2
226.15260	0.3
233.11853	0.7
245.82451	0.3
245.93181	0.3
251.12872	5.2
252.13228	0.5
269.13922	98.0
270.14264	7.3
275.13004	0.9
281.44553	0.3
287.14981	0.6
293.13934	1.8
311.14990	1.0
353.19879	0.5
371.20761	0.7
473.20078	6.1
474.20343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.1
57.03338	3.2
59.01245	81.2
61.98690	8.6
68.31417	3.1
69.03321	100.0
70.72712	6.3
71.01257	19.3
72.99142	4.0
73.02808	9.6
78.70063	2.5
79.95598	3.9
83.01258	3.2
85.02810	3.9
87.00767	5.5
89.02289	5.0
95.01217	4.0
96.95885	25.6
97.02821	19.8
99.00755	26.3
101.02322	11.1
102.80669	2.5
109.63723	2.9
113.02304	4.6
119.03395	3.5
135.04385	10.6
141.01804	11.2
149.00783	12.1
161.04497	3.7
179.03409	13.1
185.00818	73.5
186.01076	3.8
196.23541	2.8
209.11807	2.9
227.12834	10.0
269.13840	7.2
287.14996	68.3
288.15359	4.9
338.43073	2.8
341.08997	2.8
473.15640	13.4
473.29315	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55065	0.2
55.92580	0.2
57.03321	1.7
58.00459	0.3
59.01248	100.0
60.01576	1.7
61.01669	1.1
66.33954	0.2
68.61126	0.3
69.03322	0.9
70.73144	0.9
71.01250	6.6
72.99184	0.5
73.02815	7.4
83.01259	1.9
83.04904	0.4
85.02829	1.0
87.00758	0.5
87.02824	0.3
89.02331	0.7
95.01295	0.3
97.02813	0.4
97.06503	0.4
99.00758	0.5
99.04389	2.3
101.02316	5.0
104.86452	0.3
109.06458	0.8
113.02332	1.7
119.03390	0.3
121.06473	0.3
125.02306	0.2
133.17670	0.3
135.04446	0.7
143.03360	0.3
149.00798	0.7
161.04486	0.8
161.13269	0.3
163.11232	0.6
164.89795	0.2
165.12761	3.7
166.13118	0.4
179.03416	0.6
181.12224	1.5
185.00829	0.4
189.12767	1.2
191.10725	0.9
203.05528	0.4
207.13840	16.1
208.14165	1.1
209.11755	9.3
225.11255	0.7
225.14873	2.2
226.15260	0.3
233.11853	0.7
245.82451	0.3
245.93181	0.3
251.12872	5.2
252.13228	0.5
269.13922	98.0
270.14264	7.3
275.13004	0.9
281.44553	0.3
287.14981	0.6
293.13934	1.8
311.14990	1.0
353.19879	0.5
371.20761	0.7
473.20078	6.1
474.20343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01252	19.6
69.63965	1.0
69.78048	6.3
71.01251	2.6
72.99173	1.2
82.62390	1.0
84.35444	0.9
85.02778	1.5
86.75209	1.1
87.00751	4.9
96.95872	6.6
97.19199	0.9
98.19772	1.5
119.04861	1.5
121.22874	1.1
134.03607	3.3
135.04414	14.1
136.05165	3.7
137.80385	1.1
149.00818	20.2
151.07494	1.2
161.02301	1.2
162.03137	71.2
163.03548	2.3
177.05489	100.0
178.05803	3.7
179.03419	18.5
195.06596	7.9
219.02995	2.3
249.11147	2.5
269.10196	6.2
293.03107	2.6
293.10165	1.7
311.04135	2.0
311.11328	4.5
429.17703	1.8
473.16885	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	473.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11484	0.4
59.01249	100.0
60.01574	0.9
61.01659	0.5
61.98711	0.5
62.61492	0.5
69.03330	1.4
71.01256	6.1
72.69093	0.4
72.99184	1.0
73.02821	5.5
74.44481	0.4
75.50979	0.4
77.14952	0.5
78.95779	10.0
78.96207	0.7
79.95617	0.8
82.19480	0.5
83.01270	1.8
85.02842	1.3
87.00720	1.1
89.02326	2.2
95.01281	0.9
96.95901	29.7
96.96856	23.1
97.02841	0.8
98.02347	6.2
98.20575	1.0
99.00809	1.0
99.04427	0.6
101.02312	6.1
113.02297	2.2
119.03387	1.0
131.03392	0.6
133.87952	0.5
135.04434	1.9
149.00896	0.7
149.04517	1.3
161.02370	0.8
161.04526	2.0
179.03474	0.8
207.13843	6.5
207.15648	0.7
209.11815	0.4
251.12994	1.1
251.16373	0.5
252.16107	1.2
261.05463	0.7
268.03757	4.2
269.04611	1.3
269.17642	0.6
285.80780	0.5
311.11789	0.6
413.22037	0.9
429.21329	0.9
455.16663	0.6
472.00134	0.6
473.11057	2.1
473.23770	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57340	1.2
55.01764	2.4
57.03342	1.6
59.01250	100.0
69.03326	70.9
71.01256	17.6
71.42377	2.4
72.99178	3.6
73.02823	6.1
75.72318	1.2
78.82736	1.0
79.01772	2.1
79.95630	1.1
80.96404	1.4
83.01269	2.2
85.02821	6.2
87.00760	7.2
87.60417	1.2
89.02325	7.0
95.01273	3.6
96.95891	9.8
97.02826	32.6
99.00749	18.8
99.01344	1.7
99.04384	2.0
101.02334	8.4
111.00739	1.3
113.02357	6.5
115.00290	2.1
119.03408	1.8
128.03439	2.9
135.04416	4.1
137.02318	3.7
141.01819	11.4
143.03423	1.1
149.00815	3.8
153.09082	2.9
161.04449	1.5
163.11168	1.3
165.12807	2.1
179.03365	1.6
179.05537	2.0
185.00841	69.7
203.01913	39.1
204.02229	1.2
205.12256	1.5
207.10097	1.8
207.13844	2.3
209.11775	4.6
223.04219	1.5
225.14801	2.2
227.12831	24.2
228.13156	1.5
251.12874	1.8
269.04639	1.4
269.13797	5.6
287.14984	66.3
288.15295	5.8
301.03464	1.6
341.06769	3.2
341.10806	5.7
344.25934	1.3
367.17416	3.5
397.83923	1.4
413.22141	2.4
427.19995	2.7
429.17624	5.1
437.16873	2.9
473.16437	25.6
473.23166	1.3
474.16693	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
59.01250	23.2
69.03327	100.0
70.03643	1.2
70.52916	2.3
70.53265	0.8
71.01263	2.5
72.99183	2.6
73.02828	0.9
79.01772	1.8
79.95606	1.8
85.02815	2.3
87.00746	1.6
89.02322	1.0
95.01292	1.7
96.95888	7.0
97.02825	20.6
99.00758	25.8
101.02306	1.1
113.02380	1.0
121.85792	0.7
135.04379	1.3
141.01823	8.1
149.00819	2.2
165.12708	0.8
176.10153	0.7
179.03484	1.7
185.00839	74.2
186.01184	2.5
203.01900	4.2
207.14023	0.8
209.11784	2.7
221.14407	0.7
225.14894	1.8
227.12837	11.1
228.13116	0.9
251.12936	1.0
266.73294	0.8
269.13898	4.4
287.14996	67.4
288.15421	4.0
317.20728	0.8
365.30795	0.7
473.16489	15.3
474.17044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	8.4
59.01251	100.0
60.48516	3.7
64.90125	4.0
71.01236	22.5
71.35920	8.1
72.99173	4.4
73.02818	12.1
81.03380	4.7
83.01200	4.6
83.04903	26.2
85.02823	6.4
87.00732	6.7
89.02326	6.5
93.03349	4.0
96.74011	4.0
96.95889	36.8
97.02808	5.8
100.32467	4.1
101.02320	9.4
105.06955	4.0
107.04893	12.6
111.04387	9.3
113.02315	10.2
117.03303	4.5
119.04895	16.0
123.04418	4.5
125.05963	4.3
125.55257	3.8
133.02887	4.6
135.04384	12.4
141.05394	6.0
143.90611	3.8
149.00807	13.1
154.21936	3.5
165.12729	13.9
173.09592	7.4
175.11172	11.4
179.03439	7.6
185.09686	3.5
187.11201	4.9
191.05434	5.3
191.10684	14.0
196.89212	3.3
205.12308	4.6
209.11734	16.7
212.44417	3.8
219.10245	8.0
221.01657	3.7
240.04376	5.1
249.11162	7.3
263.09024	5.6
266.40683	3.7
268.03766	35.8
269.04471	12.4
269.11191	7.0
269.13943	93.4
311.11423	72.3
311.15002	8.5
355.05194	4.7
366.87421	4.3
413.21271	6.9
466.23688	4.8
473.10696	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	473.1092
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
54.09797	0.4
59.01251	12.0
63.02262	0.5
73.02788	0.5
73.64003	0.4
79.94421	0.3
83.01253	0.8
87.00768	0.6
93.03339	1.6
96.95882	1.5
101.02325	1.0
104.23874	0.4
106.46118	0.3
107.01276	1.5
109.02837	0.8
110.23884	0.3
113.02354	0.6
130.04149	0.4
132.02045	0.7
135.00768	1.7
135.04416	1.3
143.04858	0.8
145.02994	0.4
149.00851	2.3
151.00278	1.4
153.01840	0.6
157.06499	0.6
159.04407	1.5
161.02400	0.4
163.00256	2.8
164.01038	0.6
165.01889	0.5
167.04970	1.0
169.06520	0.7
171.04335	0.8
179.03404	1.3
183.04498	1.0
185.05992	2.4
187.03925	3.0
189.05559	0.6
195.04453	0.4
197.05988	0.8
199.03966	1.1
201.05458	0.7
211.03893	2.4
211.66763	0.4
212.04657	0.5
213.05489	1.5
214.02785	0.5
217.00333	0.5
227.03452	57.0
228.03857	3.9
229.05017	10.7
230.05350	0.7
239.03442	1.6
240.04237	0.7
241.05014	1.4
243.03065	0.4
255.02971	81.3
256.03561	9.5
257.04532	6.3
267.02859	0.9
283.02441	0.8
284.03262	71.6
285.04022	100.0
286.04349	7.3
327.05093	1.1
357.67340	0.4
473.10895	63.9
474.11215	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	473.1102
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.87903	0.5
57.03296	0.8
59.01246	54.6
60.01578	0.8
63.02247	0.8
69.03291	0.7
70.62258	1.1
70.62589	0.8
71.01245	4.3
72.99183	1.1
73.02815	6.5
74.03143	1.0
79.95608	0.8
83.01263	1.7
83.04865	0.9
85.02815	2.2
87.00739	1.1
89.02302	1.5
93.03328	1.0
96.95890	8.6
97.02866	0.5
101.02311	2.7
107.01244	2.2
108.02105	0.5
110.00891	0.5
113.02345	3.0
117.03350	2.0
119.03411	0.9
119.04901	2.3
125.02393	0.6
135.04431	3.4
136.04808	0.5
140.34601	0.5
145.59399	0.5
149.00801	5.6
149.02275	1.8
149.99506	0.9
151.00266	3.7
161.04454	0.9
165.12776	1.3
169.01222	0.7
171.04468	1.1
172.05156	0.7
179.03430	4.8
191.05504	1.6
196.05257	0.6
207.13817	0.8
209.11714	1.4
211.03926	1.8
212.04622	0.7
219.13808	1.8
220.14203	1.5
221.14421	0.7
225.14995	0.7
227.03496	2.8
228.03677	0.8
239.03470	4.0
240.04190	4.8
251.13078	0.6
251.16293	0.7
255.02933	4.0
259.01355	0.8
263.12866	8.3
264.13232	9.6
265.13452	6.0
267.02969	2.3
268.03738	100.0
269.04398	23.5
269.13892	12.6
269.16779	0.6
270.04877	1.2
284.03192	2.3
285.03964	2.2
311.05313	1.0
311.14771	0.8
353.19678	0.8
355.04907	0.8
392.17139	0.6
413.21515	1.7
431.22794	1.4
446.54184	0.6
472.22507	1.7
473.10843	81.3
473.22858	4.4
474.11136	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	473.0722
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
59.01234	6.4
71.01249	4.5
71.33001	1.6
72.99169	5.6
85.02811	4.1
87.00747	15.5
96.95905	3.4
97.17715	1.5
103.00254	5.1
105.01792	1.9
111.00740	1.6
112.98691	6.5
113.02314	5.2
130.99821	2.1
133.02766	2.0
134.03635	3.5
135.04408	67.5
136.04742	3.4
137.02341	3.5
139.00273	1.5
149.00813	100.0
150.01184	2.0
151.06041	3.3
161.02338	2.2
163.03856	2.6
173.04503	2.0
179.03409	72.7
180.03810	2.2
215.27286	1.5
219.02936	4.7
293.03101	9.4
311.04004	13.5
446.50665	2.0
457.40625	1.6
473.14993	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	473.0724
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
59.01246	19.8
61.39598	0.5
71.01247	3.0
71.05802	1.5
72.99170	4.2
73.02821	0.6
83.27523	0.5
84.99175	0.6
85.02811	1.5
87.00739	13.7
91.93868	0.5
96.95876	2.3
101.02313	2.3
103.00240	3.3
105.01779	0.9
107.04877	0.9
109.02825	2.1
112.98680	5.8
113.02325	1.7
119.03390	0.6
123.04352	0.7
130.99759	1.5
133.02861	1.2
134.03653	2.8
135.04407	57.0
136.04715	2.1
139.00226	0.8
149.00812	100.0
150.01134	2.0
151.23338	0.5
161.02354	3.2
161.04469	1.0
163.03934	1.8
177.05466	1.0
179.03412	75.0
180.03745	2.9
181.61276	0.6
191.03496	1.0
219.02934	5.6
231.02982	0.8
269.10312	1.3
293.03073	6.3
294.03445	0.8
297.36346	0.6
311.04059	11.3
336.16116	0.8
341.06683	4.2
353.85242	0.6
413.14346	1.1
431.15366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.3
66.06174	0.4
66.93591	0.3
69.03300	0.5
71.01250	4.1
71.57400	0.4
71.57829	0.7
72.99174	1.0
73.02819	1.4
74.53061	0.4
75.16740	0.4
83.01249	0.5
84.00797	0.4
85.02831	1.4
86.02345	0.9
87.00751	31.1
88.01086	0.5
89.02306	1.9
93.03317	0.4
96.95896	3.1
97.02869	0.8
99.00755	1.9
99.80886	0.4
101.02293	1.9
101.45889	0.4
103.00229	1.0
103.97221	0.4
107.04901	0.4
109.02799	0.7
111.00751	3.1
112.98689	8.9
113.02335	1.9
119.03396	0.8
123.08006	0.4
130.99747	6.0
135.04419	0.6
137.02315	0.6
139.03851	0.4
139.61867	0.4
149.00800	1.0
151.03847	0.4
161.02335	0.7
161.04562	0.9
161.05942	0.7
173.06070	0.5
175.03911	1.0
179.03407	1.2
183.04427	0.8
185.00856	0.6
187.03929	1.1
188.04733	0.9
189.01892	0.7
189.05534	1.9
190.02661	4.5
191.03317	0.9
197.06010	0.6
200.04599	0.5
201.05479	1.7
209.05968	0.7
211.03935	2.4
212.04651	0.9
223.07733	0.4
225.05540	1.0
227.03445	5.7
227.06943	0.7
228.04199	2.4
229.05008	17.4
230.05452	1.0
240.04245	0.7
241.05028	1.9
250.06252	0.5
251.07150	4.2
253.08650	0.7
255.06633	1.5
269.04562	1.0
269.08167	4.2
270.08496	0.4
279.06598	2.1
297.07639	7.9
298.07971	0.9
315.08765	0.8
323.05560	4.3
324.05838	0.5
325.18976	0.6
341.06638	100.0
342.06955	8.3
342.10730	0.7
359.07660	2.0
387.13556	0.5
413.21936	1.1
473.07007	4.2
474.07498	0.9
485.66891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.9
59.01254	7.3
59.33448	0.7
60.05853	0.8
60.99111	0.7
63.48505	0.8
70.02845	2.3
70.30357	1.8
71.01254	6.0
72.00779	0.9
72.99183	5.8
73.28972	0.9
78.95772	0.8
80.45763	0.7
83.01241	1.3
85.02828	5.7
87.00754	13.8
88.03939	2.0
89.02318	1.9
95.02431	1.8
96.95890	7.0
101.02300	1.6
103.00250	2.9
103.48217	0.7
105.01826	1.0
107.04923	1.3
109.02850	2.0
112.98697	4.6
113.02323	6.7
113.03447	10.6
114.01861	9.0
130.99722	1.3
131.04514	36.0
132.02872	1.7
133.02884	1.2
134.03624	3.0
135.04413	67.1
136.04720	2.1
137.02338	1.9
139.00267	1.0
149.00819	100.0
150.01140	2.1
151.05960	4.2
161.02408	3.9
163.03888	1.7
173.04456	3.5
179.03418	79.7
180.03734	3.4
184.94962	0.9
191.03459	1.5
191.05420	0.8
219.02960	6.8
231.02963	1.2
293.03012	8.6
311.04031	11.9
312.04288	0.9
337.03891	1.2
341.08508	5.8
424.43460	0.8
473.15082	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.9
60.99156	0.4
69.32678	3.6
71.04921	0.6
78.95779	0.6
79.79291	0.4
85.06460	0.5
89.60546	0.3
97.06470	4.7
100.84164	0.3
113.69509	0.5
113.75690	0.4
160.84103	1.0
162.83820	3.3
213.22464	0.4
290.14612	0.5
375.26810	0.7
377.11890	0.5
377.28595	0.6
389.28604	1.3
391.30121	4.4
392.30527	0.7
405.31622	3.5
406.32098	0.5
407.33182	10.4
408.33273	1.4
421.27313	0.5
423.29007	1.5
437.30460	0.9
439.32404	0.7
441.33655	1.4
451.32172	11.7
452.32422	1.9
453.33743	47.8
454.34055	8.1
471.34793	100.0
472.04706	1.7
472.35150	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	471.3477
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.00217	0.2
59.01248	0.9
59.34737	0.2
68.28812	0.2
69.46929	0.5
69.47331	1.3
72.70448	0.2
75.77259	0.2
76.45781	0.2
78.95788	0.3
99.88287	0.2
100.26270	0.2
152.99539	0.3
167.01009	0.2
209.19270	0.2
223.00214	0.2
303.23367	1.2
421.31589	0.2
468.02722	0.2
471.34781	100.0
472.35132	16.5
472.42136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.2
60.99172	1.0
61.98690	0.5
69.03330	0.8
71.58455	0.8
78.95802	1.4
83.04898	1.3
96.95912	0.4
97.06475	1.0
112.98701	1.0
135.04459	0.9
159.10243	0.5
160.84206	0.4
211.13373	0.4
222.08942	0.4
227.45148	0.4
274.23618	0.4
275.20425	0.4
307.03860	0.4
377.28580	0.5
391.30182	1.1
399.32825	1.4
405.31549	0.5
407.33261	10.6
407.38434	0.8
408.33609	1.9
409.30972	3.2
411.32700	3.6
423.33163	0.8
425.34390	3.1
427.35767	3.2
441.30261	1.5
443.31763	0.5
453.34015	1.7
471.34949	100.0
472.35336	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	471.3479
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01253	7.4
70.97130	2.0
78.95774	0.8
110.98392	0.7
125.31907	0.6
128.90840	0.7
217.24840	0.6
225.69618	0.8
263.66895	0.7
303.23340	4.8
304.23483	1.0
453.80792	0.8
471.34799	100.0
472.35071	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
63.40942	0.4
71.04877	0.7
112.45517	0.3
150.50284	0.3
210.61429	0.4
230.23538	0.5
243.22430	0.4
252.84048	0.4
339.92645	0.4
393.31470	0.4
405.31839	0.5
445.77557	0.4
453.33749	3.9
471.34784	100.0
472.35144	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64238	0.4
59.01250	5.9
82.62572	0.4
82.80112	0.4
99.87877	0.4
104.18494	0.4
112.98697	0.7
178.75481	0.4
229.67630	0.5
387.43875	0.5
427.32230	0.6
471.34808	100.0
472.35120	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.6
59.26805	0.3
60.99176	6.3
66.75955	0.3
66.77781	0.3
67.97884	0.3
76.48872	0.3
77.20040	0.3
96.95904	0.8
98.19753	0.7
100.89803	0.3
112.98718	0.3
135.04474	0.4
147.17325	0.3
149.09618	0.3
161.02354	0.4
162.83813	0.5
179.03413	0.6
199.23326	0.3
229.25272	0.4
245.68759	0.3
373.94531	0.3
377.28101	0.5
389.17633	0.5
391.30057	1.2
407.33160	17.2
408.33514	2.9
471.34793	100.0
472.35095	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89258	1.0
57.03305	1.5
58.82738	0.8
59.01249	7.2
60.99172	1.0
71.04895	1.2
71.59373	1.2
85.02819	5.3
97.06460	6.9
99.38190	0.9
112.98679	1.4
135.04427	1.6
149.00795	1.3
160.84204	1.1
161.02356	1.1
205.18863	0.8
389.28528	2.5
391.30002	8.8
392.30869	1.0
405.31702	6.8
407.33124	14.4
408.33850	2.1
409.30856	2.2
423.29053	2.1
427.32101	2.6
437.30780	1.4
439.32141	1.8
441.33578	5.5
442.34100	1.4
446.82349	0.9
451.32086	18.7
452.32584	3.0
453.33713	89.6
454.34067	13.4
471.35269	100.0
472.35483	17.3
497.32587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	0.2
59.01253	1.5
78.39558	0.2
98.20529	0.9
112.98676	0.4
135.04439	0.3
230.42560	0.3
377.28482	0.3
393.31528	0.4
402.81430	0.2
407.33005	0.3
418.05759	0.2
423.32602	0.8
453.33041	0.5
471.34760	100.0
472.35080	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.9
71.01241	1.1
71.57172	1.2
75.00717	1.0
78.95775	1.9
96.95874	1.1
112.98642	1.9
119.35071	0.9
135.04376	1.5
141.01622	3.8
151.99161	0.8
153.12766	1.1
154.59413	0.9
160.84138	1.0
161.02353	1.8
190.93402	0.8
197.11801	1.1
208.92873	0.8
217.00266	1.9
275.20236	2.9
295.43372	0.8
299.16486	9.3
300.16684	1.2
329.17627	10.9
330.17917	1.1
403.71341	0.8
412.73242	0.8
471.34830	100.0
472.25073	1.2
472.35202	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90371	1.7
56.73413	1.6
59.01248	11.3
60.99178	18.7
66.97722	1.9
69.03328	10.4
71.04880	2.1
78.95790	2.1
87.00774	2.4
96.81525	1.7
101.02326	2.1
112.98666	4.8
116.92724	6.4
124.02696	1.6
130.92714	1.6
132.02014	1.7
135.04376	4.8
137.09616	4.4
139.63283	1.7
146.33704	1.8
150.94739	2.1
161.02272	2.3
162.83784	2.1
179.03441	2.8
192.95840	10.6
213.27364	1.8
217.00175	2.8
275.07422	2.1
287.07428	2.8
348.97699	2.1
375.26904	2.7
377.28436	2.8
389.10510	7.6
391.30051	11.4
392.30524	2.5
407.33173	100.0
408.33469	18.1
409.34729	10.4
423.33075	2.3
427.35648	8.8
437.30539	2.7
441.33600	4.9
453.33691	20.4
454.34308	3.3
471.34848	74.7
472.35144	13.3
485.32956	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16378	2.2
56.66609	2.4
58.00428	3.5
59.01246	96.5
61.98695	6.3
71.01251	60.7
71.57327	2.3
72.99181	3.5
75.00761	4.8
78.95768	3.3
85.02802	5.5
86.50460	2.4
87.00765	5.0
89.02314	73.6
95.01257	3.1
96.95898	2.8
101.02318	15.4
112.98719	4.7
113.02350	18.4
119.03396	13.1
119.94221	2.7
131.03403	2.8
135.04373	4.7
136.93858	4.8
139.65634	2.7
143.03354	6.4
159.10098	2.9
161.02275	3.3
161.04498	6.4
165.12759	18.9
178.94882	4.3
179.05534	14.2
216.30991	2.8
236.26836	2.8
247.20586	11.2
273.18588	7.2
291.19632	100.0
292.20007	8.3
370.32440	3.4
373.20001	4.1
389.16150	5.6
411.13330	6.4
471.34656	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38784	0.3
57.03325	1.6
59.01248	100.0
60.01597	0.8
61.98717	0.4
64.73611	0.3
69.42405	2.0
69.42818	0.6
71.01244	1.8
80.81046	0.3
81.39123	0.3
85.02827	0.3
87.00744	0.4
89.02334	0.8
96.95904	1.0
101.02354	1.0
112.98727	0.5
113.02346	0.9
113.07249	0.3
119.03354	0.4
135.04396	0.8
137.60591	0.3
161.02347	0.7
161.04547	0.4
171.10185	0.6
179.03415	0.5
192.11505	0.4
207.13828	7.2
208.14261	0.6
217.00084	0.3
252.27643	0.3
291.19656	0.7
309.20856	0.9
343.42020	0.3
471.17606	1.0
471.26160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74207	0.3
59.01248	100.0
59.36004	0.3
60.01574	1.1
62.13338	0.3
65.15168	0.3
67.92875	0.3
71.01249	2.2
73.02823	1.5
74.59725	0.3
83.01247	0.6
85.02824	0.6
87.00771	0.4
88.48188	0.3
89.02333	0.8
96.05383	0.3
96.95876	3.0
101.02336	1.4
113.02348	1.1
119.03415	0.4
135.04344	0.5
149.04384	0.4
161.04448	0.6
179.03381	0.6
224.48456	0.3
229.98315	0.4
447.78842	0.4
471.26459	0.6
489.68298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57464	0.2
59.01252	100.0
60.01598	0.9
64.90295	0.2
66.52847	0.2
66.74474	0.2
69.03337	0.3
70.98811	0.4
71.01256	4.4
73.02821	4.8
77.50959	0.2
83.01254	1.7
85.02832	0.6
87.00770	0.3
89.02329	1.6
94.06378	0.2
96.95882	1.3
101.02318	5.1
109.02830	0.5
113.02341	1.9
119.03403	0.8
125.02371	0.3
131.03384	0.6
137.09608	0.4
143.03436	0.6
149.04482	0.8
153.01851	0.4
161.04440	1.4
167.41406	0.2
189.12843	0.9
221.06560	0.5
263.12976	0.7
282.50977	0.3
293.71307	0.3
397.17099	0.2
434.80008	0.3
455.43216	0.3
471.23050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01578	1.2
62.37899	0.4
69.03323	4.7
69.44266	3.7
71.01246	6.9
72.99170	0.5
73.02814	14.1
79.95618	0.7
83.01266	2.0
83.04868	0.7
85.02818	5.5
87.00746	0.8
89.02317	2.5
96.95881	3.3
98.20602	0.8
101.02319	5.9
112.98717	0.5
113.02327	13.4
117.03342	0.5
119.03389	0.9
119.04923	1.3
143.03481	0.6
145.02812	0.9
149.04547	0.5
161.04468	1.0
163.03885	0.6
168.23560	0.5
191.05554	3.1
207.17497	0.8
207.97284	0.4
219.13861	4.6
233.15491	0.7
249.14804	0.7
251.07118	0.5
251.16467	4.4
262.11746	0.5
263.12851	31.2
264.13162	2.4
267.15906	0.7
305.14005	0.7
307.08478	0.7
355.04880	0.5
411.20480	3.1
429.21185	5.5
430.21515	0.6
471.22339	41.8
472.22742	4.6
491.74313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
58.59552	0.4
59.01252	100.0
60.01604	0.7
71.01247	3.0
71.58719	0.6
73.02818	1.2
85.02835	0.7
87.00744	0.5
96.95903	3.0
99.00768	0.6
101.02335	1.3
104.32810	0.4
113.02323	0.6
120.21194	0.4
121.72577	0.4
125.02367	0.4
137.09685	0.5
145.02910	0.4
159.24988	0.4
161.04503	0.4
175.38902	0.4
192.11499	0.6
203.05492	2.0
207.13835	7.0
316.53250	0.4
411.81714	0.5
471.22079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34069	0.3
57.03312	0.4
59.01249	100.0
60.01603	0.6
65.81698	0.3
66.57222	0.3
71.01250	6.1
72.99161	0.5
73.02818	10.0
83.01255	3.4
83.01655	0.4
85.02827	0.6
87.00719	0.7
89.02327	1.0
89.66683	0.4
96.95906	0.7
101.02319	8.4
102.45757	0.4
113.02315	2.1
119.03447	0.6
125.02380	0.5
125.13069	0.4
131.03340	0.8
135.04417	0.5
142.11234	0.3
143.03436	0.7
149.00816	0.6
149.04477	0.7
161.04446	2.2
165.12697	0.3
202.52025	0.4
207.13898	1.6
219.13873	0.6
221.06680	0.5
221.15486	0.6
231.13870	0.7
236.78177	0.4
249.15010	1.0
339.04919	0.4
374.06009	0.5
410.49496	0.5
471.26517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01587	0.8
63.37024	0.3
66.80833	0.2
71.01251	3.9
71.45422	0.3
73.02821	10.2
83.01257	2.9
85.02810	0.3
89.02329	0.8
95.87674	0.3
98.52272	0.3
101.02323	8.9
113.02317	1.9
119.03412	0.7
131.03391	0.4
135.96553	0.3
136.82393	0.3
143.03458	0.8
149.04486	1.1
149.74768	0.3
161.04486	2.4
161.22334	0.3
165.12723	0.7
207.13867	2.5
219.13849	0.7
221.06654	0.9
221.15495	0.3
231.13960	0.5
249.15050	1.0
388.33655	0.3
390.34937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83873	0.2
57.03333	0.2
59.01248	100.0
60.01582	1.2
65.73263	0.2
70.71890	0.5
70.72223	0.4
71.01251	2.3
73.02815	3.8
83.01257	1.3
83.92843	0.2
85.02829	0.3
89.02321	0.5
94.98390	0.2
95.01295	0.3
96.95909	0.3
101.02309	3.5
112.98698	0.3
113.02326	1.3
119.03445	0.2
131.03406	0.5
136.28593	0.2
142.15300	0.2
143.03445	0.3
145.62880	0.3
149.00809	0.4
149.04469	0.5
161.04486	0.9
207.13901	0.4
223.13336	1.1
224.33841	0.2
269.46304	0.3
448.03036	0.3
470.65195	0.3
471.22314	0.6
481.73819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54521	6.9
55.31652	6.8
59.01245	100.0
69.03336	20.7
69.67841	14.5
69.68245	38.9
71.01254	38.6
78.95777	17.1
83.04902	12.3
85.02800	16.3
89.02312	11.7
90.94467	7.6
96.95869	36.1
97.02828	10.9
99.00810	12.0
101.02307	17.0
113.02322	15.6
130.45906	7.1
135.04398	14.1
138.06813	13.0
139.37344	6.7
151.07471	9.8
152.08369	22.5
153.09126	38.7
164.25703	6.8
185.00842	11.5
205.12276	13.4
224.88399	7.7
244.95195	7.1
267.15948	12.5
280.81339	7.9
336.92697	8.9
340.11914	27.2
345.16980	8.3
367.16962	8.9
471.15781	26.8
471.22635	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.03319	9.4
69.59893	12.7
69.60317	17.8
71.01258	50.3
72.99194	8.6
73.02808	45.5
78.95776	5.4
79.95617	11.2
80.96399	17.8
83.01244	14.9
83.04901	22.5
85.02808	8.1
86.02348	8.3
87.00772	16.1
89.02334	16.7
91.77752	3.6
94.97960	3.8
95.01275	6.4
96.95892	78.9
97.06464	4.9
98.20511	7.9
99.00729	4.0
101.02314	45.2
103.00276	5.0
109.02840	4.6
110.64867	3.3
110.97424	5.6
112.98708	5.7
113.02328	14.0
119.03415	8.4
125.02358	5.5
135.04419	7.3
139.00316	4.4
143.03372	6.3
149.00797	6.2
161.02396	4.0
161.04471	9.5
179.03381	4.1
185.00781	7.9
206.91988	4.4
225.00661	6.7
252.91443	4.4
275.83170	4.0
471.09146	6.0
471.15616	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10661	4.9
59.01233	12.4
60.98416	4.6
67.01752	4.7
71.01250	77.3
71.14682	4.5
71.17722	10.6
71.18085	5.8
72.99165	8.2
73.02830	7.7
78.95792	13.2
85.02824	38.2
87.00751	12.6
96.95903	9.0
96.96831	9.1
100.91476	4.2
101.02322	8.7
113.02334	58.5
115.45500	4.7
131.03381	6.0
170.36725	4.9
173.04488	7.8
175.02214	4.9
175.97704	4.8
192.68668	5.8
201.03989	11.8
204.60431	4.5
236.64702	6.2
259.02271	5.5
317.08585	9.7
321.08444	6.0
335.06015	5.6
339.09412	7.2
384.47113	5.1
411.11432	15.1
471.13489	100.0
472.13785	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01240	1.0
71.58376	0.4
71.58772	0.6
78.26048	0.5
131.03105	0.5
423.32611	1.7
456.60315	0.5
469.33209	100.0
470.33524	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99780	0.2
57.03333	0.4
57.15332	0.2
58.00451	0.2
59.01247	5.8
61.98693	0.3
69.43877	1.1
69.44291	0.4
71.01251	2.0
72.99177	0.2
73.02811	0.8
79.95615	0.2
83.01256	0.5
84.06184	0.2
85.02801	1.0
87.00738	0.8
89.02323	0.6
93.03342	1.0
96.00843	0.2
96.95888	2.6
101.02298	1.2
112.98707	0.4
113.02330	0.9
117.03342	25.0
117.88224	0.2
118.03680	0.8
119.04908	13.8
120.05251	0.4
121.02823	0.5
126.99464	0.3
131.04919	0.3
132.05685	0.4
132.07721	0.2
133.02795	0.4
133.06474	1.6
135.04364	0.6
145.02846	100.0
146.03183	3.4
147.04402	0.4
158.03612	0.3
159.04390	1.2
161.02370	0.4
161.05966	3.5
163.03911	15.2
164.04347	0.5
171.10196	0.2
173.04495	0.5
177.05472	1.0
179.03349	0.4
187.03918	4.7
191.05554	1.6
191.42305	0.2
205.04993	3.0
229.05014	0.4
235.06061	2.4
247.06136	0.3
249.14796	1.0
255.02971	0.8
256.03580	0.3
257.04507	0.3
265.07150	4.6
267.15958	0.7
283.02435	1.0
284.03055	0.5
297.11435	0.4
307.08203	13.4
308.08527	0.9
309.07599	0.4
325.09393	1.6
351.08630	0.4
411.10855	1.2
411.19861	0.3
429.21008	1.0
433.09436	0.8
436.24554	0.2
470.73221	0.3
471.12973	6.8
471.22348	2.3
472.13397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
62.94040	0.4
69.67885	0.5
69.68291	2.1
78.95774	4.9
94.85793	0.4
120.96822	0.5
138.97902	1.1
142.60886	0.4
152.99490	1.8
195.00542	1.6
229.56450	0.5
255.23267	20.3
256.23657	1.0
343.45062	0.4
377.28473	0.6
393.31427	1.1
423.32590	0.7
451.24652	8.4
452.24963	1.0
469.33197	100.0
470.33560	14.6
470.40344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30367	0.3
57.03331	0.4
59.01239	1.8
71.04964	0.4
78.95815	1.1
89.12193	0.4
152.99529	1.0
169.01460	0.5
214.06734	0.4
216.17184	0.3
241.21692	5.4
289.21667	0.7
311.16904	0.8
393.27908	3.5
394.28198	0.6
407.29474	3.6
409.31064	3.8
423.32672	77.7
424.32986	10.5
424.38989	0.6
425.34329	2.5
426.34854	0.4
430.48282	0.4
439.32129	0.8
469.33176	100.0
470.33539	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
70.65176	0.4
70.65536	0.9
78.95774	1.3
92.77175	0.3
107.43945	0.4
133.31953	0.4
152.99467	1.0
166.54662	0.3
183.96011	0.4
196.49759	0.4
205.13834	0.3
255.23331	2.9
405.31738	0.5
423.32645	1.8
425.34161	9.0
426.34521	1.5
451.24649	2.1
469.33188	100.0
470.33557	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	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.86295	0.4
59.01255	0.9
60.99177	8.2
78.95775	0.6
80.02534	0.7
84.85349	0.5
137.09634	0.6
149.09691	0.5
152.99489	1.0
201.89548	0.5
241.21643	3.3
311.16925	0.7
331.74576	0.4
377.28461	1.1
391.30096	1.8
407.33154	23.6
408.33438	2.8
469.33179	100.0
470.33514	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	469.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
56.02431	0.5
57.03318	1.3
58.00462	1.2
59.01249	79.6
60.01572	0.7
69.03332	1.6
69.35408	3.5
71.01250	39.4
71.42623	0.5
72.99195	1.5
73.02815	48.2
74.03168	0.7
75.00750	0.9
79.05419	0.5
81.03338	0.7
83.01254	12.5
83.04385	1.0
83.04888	19.1
85.02821	5.8
85.70313	0.4
87.00755	2.2
89.02315	9.6
89.02828	0.8
93.03355	0.6
95.01280	1.4
96.95874	2.5
97.02856	1.1
97.78898	0.4
99.00769	1.2
101.02321	34.3
102.02719	0.8
102.30412	0.4
103.91878	0.6
111.04378	2.3
113.02332	9.6
119.03384	3.7
121.06425	0.6
123.04411	1.4
125.02354	1.8
131.03401	2.4
137.09584	1.0
143.03424	2.0
149.04477	1.4
155.03403	0.9
161.04439	5.0
173.04512	0.5
179.05547	0.6
185.13271	1.9
187.11211	1.5
187.12854	0.4
189.09184	0.8
189.47295	0.4
203.05492	0.7
203.14314	4.1
204.14572	0.5
229.12286	1.3
247.13356	2.5
259.63162	0.5
261.11243	1.9
265.14450	0.7
291.18109	0.8
383.20569	0.9
409.18628	1.1
423.22479	1.3
427.19705	2.8
433.10757	0.6
451.15179	0.6
457.98169	0.5
469.20740	100.0
470.14703	0.8
470.21106	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	469.2571
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
52.90571	0.4
55.28956	0.4
59.01250	4.9
71.58678	0.5
78.95776	7.2
96.96851	0.5
117.55766	0.4
152.89401	1.1
152.99493	13.2
171.00565	0.9
185.02155	0.6
227.03200	2.8
241.21696	100.0
242.22041	6.0
245.04276	1.2
257.22623	0.7
289.21796	0.6
301.21652	2.5
304.98749	0.4
393.28088	1.5
407.29657	1.3
409.20255	0.4
409.31104	1.3
423.32690	35.9
424.32965	3.6
425.34180	1.9
439.32147	0.9
469.25775	26.0
469.33237	53.0
470.26099	2.6
470.33536	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	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47511	0.7
59.01244	5.0
63.14362	0.6
71.01241	1.4
73.02812	1.3
83.04887	2.5
85.02837	0.7
89.02302	1.2
97.02811	1.5
98.19730	1.5
101.02291	1.4
111.04386	18.7
113.02306	1.1
119.03343	1.2
123.04370	1.0
125.09326	0.7
145.49800	0.8
148.05202	0.9
151.07573	1.6
157.10130	1.0
163.07516	4.9
171.11617	1.1
173.13266	10.9
174.13640	1.4
175.07468	3.8
175.11136	1.0
175.35162	0.8
189.12759	1.2
199.11136	3.5
217.12270	59.5
218.12637	3.9
229.52847	0.9
243.10034	0.8
244.05190	0.7
261.11279	100.0
262.11588	6.9
275.12741	1.2
285.10919	0.8
303.12372	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	469.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36613	2.6
58.99477	13.6
59.01249	13.1
70.01062	6.1
70.01476	7.4
71.01250	5.6
73.02811	4.0
76.39179	2.4
78.95757	2.3
79.50083	2.9
79.95620	3.8
85.02837	2.8
87.00746	5.1
96.95892	38.4
99.63799	2.3
101.02299	3.4
102.98472	100.0
110.67054	2.2
112.98665	8.3
120.99503	5.6
133.02835	5.0
135.04398	2.8
148.37199	2.6
161.02405	5.1
163.00624	7.5
179.03467	3.6
179.07182	2.7
201.20584	2.6
231.02988	2.9
250.05873	2.9
344.49649	2.5
354.20419	2.7
367.06842	2.9
383.05090	6.6
469.20926	4.2
481.41428	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	469.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	7.8
59.01253	100.0
59.11863	4.9
61.84523	5.0
67.98367	5.0
71.01254	24.5
71.57936	9.5
73.02813	13.4
78.95773	6.6
83.01249	5.7
85.02820	15.9
87.00752	30.0
89.02316	10.4
93.03325	24.1
96.95869	56.9
99.00787	7.3
101.02293	12.6
102.98479	9.3
107.04895	18.9
113.02308	10.8
113.21075	5.6
120.99515	4.9
129.01837	8.9
134.03471	5.3
137.02318	14.8
141.03699	17.4
161.17902	5.0
171.67189	5.0
175.03876	10.7
235.68773	5.9
238.43164	4.8
247.13309	5.8
255.03021	10.4
257.04730	6.5
261.11246	6.3
283.02536	11.6
295.10095	28.6
360.06900	6.0
364.30423	6.1
383.11438	6.3
409.18326	9.3
423.22067	11.4
433.09375	12.9
469.21490	15.7
470.23309	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	467.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03295	0.4
59.01256	2.5
69.94296	2.4
71.01259	0.8
75.45197	0.4
78.95773	9.1
79.66086	0.4
92.14521	0.5
96.95918	0.6
96.96860	0.8
138.29608	0.5
152.99501	19.9
171.00563	1.6
173.37552	0.6
227.03172	3.5
239.20134	100.0
240.20456	5.9
245.04260	3.4
295.54965	0.6
366.00436	0.5
416.82758	0.5
467.24091	28.1
468.24536	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	467.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23639	0.7
58.46631	1.0
59.01245	2.3
65.86479	1.1
69.34431	0.8
69.64629	6.4
72.04128	0.7
78.95776	5.3
92.23105	0.9
118.07058	0.8
152.99525	1.9
178.58455	0.8
183.13815	9.5
195.13817	14.3
196.14183	0.9
213.14900	48.8
214.15314	2.5
226.65977	0.9
226.68599	0.9
271.10657	1.3
323.75110	0.9
349.22568	0.8
398.56485	0.9
409.29532	11.0
421.56354	0.9
442.67111	0.9
465.76059	1.0
467.25427	100.0
467.31384	3.7
468.25766	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	467.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.5
59.01245	15.1
63.29418	2.7
65.43398	3.5
69.03340	4.7
70.30643	2.6
71.58795	3.6
78.95778	4.6
83.04882	4.6
96.95894	19.8
119.08528	5.4
131.08116	3.0
137.09627	38.1
171.10214	3.4
208.68591	3.0
225.04401	3.7
227.05977	21.0
228.06381	3.6
232.00768	2.8
241.07549	4.4
247.02364	10.2
255.05438	9.2
269.07062	100.0
270.07410	8.8
283.08578	8.5
295.08807	3.2
328.99707	6.0
347.15292	9.0
389.16458	41.4
407.17865	21.1
467.27325	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73055	2.8
57.03308	3.0
58.00456	4.6
59.01249	27.8
60.49001	3.6
60.99172	6.8
67.01759	10.8
69.03310	6.5
70.03914	14.6
71.01253	17.2
73.02818	64.8
83.04874	3.7
85.02833	7.5
87.00764	18.6
93.03333	87.5
96.95904	22.1
99.00761	4.8
101.02328	9.1
110.03596	6.4
111.04420	15.2
113.02325	5.7
113.29588	3.0
115.95797	2.8
134.03633	15.0
135.04398	9.8
137.02319	5.6
155.03380	5.1
173.04442	47.7
178.02571	3.7
179.03339	5.4
191.05519	10.8
215.14418	3.9
219.13791	26.0
233.15392	10.3
251.16455	3.4
261.14951	8.8
263.12866	100.0
264.13168	4.5
277.14410	26.5
305.13950	34.5
306.14365	3.9
431.23105	3.5
449.14413	33.7
467.15234	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	467.0976
Annotation	Cadensin G
Peak:m/z	Relative Intensity
59.01243	0.9
60.35417	0.2
63.02273	0.8
65.00197	0.5
70.59441	0.5
70.59770	0.5
71.01197	0.3
78.95771	9.6
83.01276	0.5
96.95872	0.7
96.96827	0.9
103.91919	0.4
107.01249	0.9
107.51389	0.3
116.92739	2.8
134.03607	0.5
145.02852	0.4
151.00240	1.2
152.99483	16.1
153.99840	0.5
154.99937	0.5
155.04993	0.5
159.04414	0.6
161.97972	0.3
167.04887	0.5
169.01369	0.4
171.00516	0.7
178.02791	0.3
178.76114	0.3
182.03636	0.5
183.04395	1.8
185.02350	0.6
187.03871	0.4
191.46806	0.3
201.11212	0.3
209.11761	0.4
211.03934	0.8
219.32762	0.2
227.03455	1.4
249.09724	0.3
249.11223	0.3
255.02954	100.0
256.03308	7.8
265.07889	0.4
283.02460	28.0
284.03018	4.5
285.03891	0.7
285.07187	0.4
298.04672	0.3
299.05386	0.3
307.06607	0.3
327.21765	0.3
385.17740	0.6
431.12854	1.1
467.09793	69.5
468.10104	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	466.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.9
58.84987	1.6
59.01252	13.5
61.40586	1.6
61.43179	2.0
66.93531	1.6
71.57472	2.5
73.02779	2.0
83.04893	3.9
87.00755	2.0
89.02328	4.2
92.71518	1.7
93.03355	3.4
96.95918	3.6
101.02346	3.9
110.51070	1.8
111.04404	19.1
119.03394	3.8
123.04436	2.0
154.09583	1.7
163.03897	2.2
163.07588	6.1
165.09142	1.9
173.04471	3.0
173.13255	13.1
175.07567	5.6
196.21826	1.9
199.11261	2.9
207.24086	1.7
217.12273	64.9
218.12631	4.8
260.12985	2.8
261.11304	100.0
262.11639	7.9
275.12851	2.9
286.10834	3.2
303.12534	5.3
304.11914	6.5
441.95587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38647	0.6
59.01249	5.9
61.98722	1.1
62.74219	0.7
70.11794	3.2
73.59084	0.7
77.20018	0.7
78.95765	8.3
79.09989	0.7
80.32641	0.6
96.95889	1.7
101.76293	0.7
109.37151	0.8
110.98425	5.0
113.09824	0.7
128.24760	0.7
152.99506	1.7
157.01573	0.7
167.01056	3.9
173.15332	0.7
183.13832	49.2
184.14191	3.4
185.02136	5.9
262.59174	0.7
279.23267	7.1
297.24350	100.0
298.24698	9.5
395.05493	0.7
418.28973	0.7
465.12137	0.7
465.26151	20.1
465.32089	1.3
466.26685	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.01250	100.0
61.98704	0.9
65.68753	0.8
71.01258	6.0
71.13430	0.8
71.57234	0.9
71.71600	0.8
72.99195	1.5
73.02811	1.5
78.95775	12.8
83.01254	1.1
85.02827	2.0
87.00765	1.8
89.02303	1.4
95.01266	1.0
96.95905	3.9
101.02338	3.6
113.02310	4.3
119.03413	1.6
122.89349	1.1
122.96865	0.9
133.02875	1.0
135.04424	1.5
161.04456	2.8
165.05573	1.0
171.10234	1.1
175.03937	3.4
175.20262	0.9
177.01743	0.9
193.05037	2.0
208.88724	1.0
210.29559	0.9
211.13356	2.3
217.12251	1.5
243.15987	68.4
244.16348	4.5
257.17575	1.9
285.17059	1.8
383.10944	1.1
429.12280	2.9
465.14523	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43982	0.9
59.01250	100.0
61.98690	1.1
71.01250	3.6
72.99164	1.3
73.02816	1.2
78.95773	27.3
85.02809	1.4
87.00736	1.3
89.02297	2.9
89.02827	0.9
96.95882	2.0
101.02319	4.0
113.02357	5.5
119.03357	1.5
130.96277	0.9
133.02802	2.2
135.04387	1.4
143.03322	0.9
151.03888	1.5
161.04485	1.7
161.05815	0.9
165.05487	1.3
175.03880	6.1
191.05643	0.9
193.04967	2.4
217.15878	1.2
220.69621	0.9
243.15981	70.0
244.16275	4.6
253.07051	1.0
257.17593	2.0
285.12589	1.7
285.16943	1.6
465.14661	8.2
465.24982	2.6
488.90399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.2
70.03877	3.0
71.01249	7.0
85.02827	1.7
87.00759	1.6
89.02313	13.0
96.95882	8.9
98.95487	0.7
101.02314	5.6
113.02316	4.0
119.03405	5.0
131.03406	0.9
143.03398	1.0
161.04379	1.2
163.03984	1.4
165.00145	1.8
173.04546	0.8
174.20328	0.8
177.99615	2.3
179.05519	4.2
191.00302	0.9
191.05577	2.7
192.01173	7.3
204.01215	0.8
204.17804	0.7
205.01906	0.8
227.33682	0.7
248.03821	15.6
248.06293	0.9
292.02826	12.2
325.79376	0.7
368.76285	0.7
405.21451	2.8
465.19949	1.4
466.08035	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	465.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95027	5.9
58.00475	6.4
59.01255	31.8
59.55440	5.5
61.85835	5.4
63.75644	5.3
65.80031	5.7
67.84936	5.5
68.03831	5.3
70.67802	6.1
71.01267	15.8
71.44497	7.6
73.02812	20.2
101.02296	7.4
101.28785	5.3
106.04131	15.5
107.04915	24.6
108.02055	6.4
111.04391	27.5
119.04943	9.3
123.04368	10.8
133.02834	37.0
147.04420	13.3
151.03920	25.3
163.07613	10.6
165.05452	33.7
168.05170	6.6
173.13271	15.5
175.03920	100.0
193.05038	49.3
199.11340	7.1
205.04988	13.4
213.12801	8.9
217.12315	58.9
222.67390	5.3
223.06042	10.2
253.07307	13.5
259.13330	13.9
261.11310	58.2
274.05365	7.5
275.12894	10.9
303.12427	42.8
304.12946	5.9
315.26672	6.1
333.13297	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	465.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53785	0.6
58.00457	2.3
59.01244	9.7
69.27638	7.3
71.01240	2.6
72.79039	0.7
73.02823	0.9
81.23436	0.6
85.02824	0.7
89.02306	1.4
93.03334	1.5
101.02333	1.4
106.04118	10.9
106.46931	0.7
107.04915	13.2
108.02041	2.7
113.02306	2.5
116.03948	0.7
119.04896	4.3
121.02828	2.8
123.04417	4.4
131.04926	2.4
133.02846	30.7
134.03214	1.1
135.04428	1.4
145.02855	1.4
147.04411	6.5
149.05995	0.8
151.03906	27.9
152.04243	1.2
161.04784	1.0
161.05968	5.0
165.05475	32.5
166.05849	1.3
175.03912	100.0
176.04250	5.3
193.04976	50.2
194.05301	3.0
194.06935	0.6
205.04980	10.9
206.05402	0.8
223.06082	16.2
223.08250	0.5
224.06487	0.8
235.06094	3.2
253.07147	19.7
254.07466	1.3
271.83105	0.8
395.17822	0.7
405.48428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70153	1.5
53.28704	1.8
59.01252	4.1
63.24091	1.7
69.30458	6.2
69.30882	9.6
69.35613	1.7
71.01212	1.8
83.45352	1.6
106.04137	9.1
107.04916	13.5
108.02027	4.3
115.61658	1.6
119.04835	3.7
121.02798	2.8
123.04394	3.2
131.04901	3.2
133.02834	33.2
147.04405	6.3
151.03908	27.2
160.15485	1.8
161.05928	5.5
165.05460	37.1
166.05850	1.9
175.03909	100.0
176.04237	4.8
193.04970	53.1
205.04990	10.5
223.05966	12.8
235.06000	3.4
253.07118	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	463.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
63.71829	0.6
69.23051	0.6
70.19825	1.9
78.95771	7.2
79.13741	0.5
111.59539	0.5
125.00005	2.6
152.46579	0.5
152.92171	0.4
152.99477	1.6
163.60492	0.5
181.02617	2.4
199.03703	3.4
205.69968	0.5
231.09930	0.5
281.24850	100.0
282.25180	9.0
295.26410	4.8
326.00214	0.5
390.48700	0.5
412.02518	0.5
463.28409	6.2
464.28235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56009	0.5
58.00457	1.5
59.01242	4.8
59.27383	0.5
71.01249	1.5
79.13140	0.5
85.02820	0.8
89.02310	0.7
93.03326	2.2
94.54820	0.6
96.95892	1.9
101.02341	1.1
106.04122	11.4
107.04915	14.5
108.02052	4.1
109.02840	0.7
110.29720	0.6
112.33270	0.6
113.02341	1.7
119.04890	4.3
121.02852	3.1
123.04400	4.1
130.04156	0.6
131.04956	1.8
133.02850	31.3
134.03200	0.9
135.04448	0.7
137.02309	1.0
138.03064	0.7
145.02818	0.7
147.04449	6.7
149.05928	0.8
151.03918	27.6
152.04240	0.7
161.05968	5.7
163.03891	1.2
165.05493	35.3
166.05809	1.6
167.70795	0.6
175.03928	100.0
176.04265	5.0
177.02029	0.6
193.05002	49.5
194.05350	2.4
205.05003	9.7
206.05327	0.7
223.06075	16.3
224.06386	0.8
229.29968	0.7
232.50043	0.6
235.06082	4.0
253.07150	17.4
342.86942	0.6
349.45627	0.7
376.21170	0.6
465.26202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40493	0.9
57.03312	1.1
59.01254	7.5
71.01283	1.0
71.58347	1.4
72.42685	1.0
78.95763	6.0
93.03346	3.2
96.95880	6.3
99.08059	2.2
106.04124	7.2
107.04917	30.4
108.02054	5.5
108.05254	1.9
115.78294	1.0
117.02749	1.0
121.02853	7.9
123.04384	2.0
126.96796	1.0
129.09084	1.6
132.02057	1.3
133.02855	3.8
138.03154	2.1
145.01285	1.1
151.03914	63.4
152.04245	2.0
152.99515	9.1
159.50719	1.1
167.10660	0.9
174.99196	1.8
181.12277	3.1
183.13847	9.5
193.12283	3.4
195.13800	1.5
199.13451	1.8
209.11659	1.1
211.13338	46.2
212.13689	3.2
217.00284	11.1
226.29114	1.0
229.14435	11.4
233.46053	1.1
275.20016	1.6
277.21719	2.1
293.21262	4.5
295.22781	12.5
296.22952	1.5
299.00665	1.4
311.22275	34.9
312.22659	2.5
329.23318	66.4
330.23499	4.7
420.80344	1.2
433.75058	1.2
463.27020	100.0
464.27322	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51807	0.5
52.81211	0.5
53.31305	0.4
56.28416	0.5
57.03320	0.9
59.01252	100.0
60.01603	1.1
69.03316	2.6
69.30162	5.0
70.05448	0.5
71.01256	11.6
72.99193	1.5
73.02817	8.9
73.03192	0.8
83.01245	2.8
83.45805	0.5
85.02843	1.7
87.00785	0.9
89.02319	7.0
93.03371	1.3
95.01279	0.6
95.04900	0.5
96.95902	3.1
97.02850	1.2
99.00777	2.3
101.02319	12.9
113.02319	4.7
119.03419	1.8
119.10767	0.6
125.02380	0.6
131.03407	1.5
135.04443	0.6
137.02345	1.3
143.03432	1.3
149.00951	0.5
149.02373	0.5
149.04446	3.2
161.04430	2.8
163.11185	4.1
179.10730	0.7
185.00919	1.4
203.05722	0.7
207.42021	0.5
209.11874	1.5
209.52151	0.6
215.12943	1.2
221.06757	0.7
227.12888	1.6
265.14514	0.7
287.04599	0.7
301.03540	0.5
302.13455	0.7
325.16556	0.5
330.01260	0.7
342.08621	1.0
385.19055	0.9
403.19717	0.8
419.19339	0.7
421.21066	1.4
463.21332	5.1
464.22244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15393	0.3
57.03313	0.6
57.07085	0.3
59.01244	3.4
60.85707	0.4
68.47949	0.3
70.49233	0.7
70.49603	0.7
78.95773	7.3
90.10035	0.4
96.95893	0.9
99.08109	0.3
110.98415	6.4
113.09612	1.9
152.99442	1.2
158.84586	0.6
167.01059	2.2
171.10141	1.7
177.12811	0.7
179.14313	1.5
183.10321	0.5
185.02130	5.8
191.12418	0.3
195.13834	15.7
196.14296	0.5
209.11642	0.4
217.00220	3.1
233.22641	0.4
251.23482	0.5
277.21710	15.3
278.22055	1.1
294.21518	0.4
295.22760	100.0
296.23111	7.9
463.24643	17.4
463.29568	0.4
464.24829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02228	2.8
59.01247	100.0
59.54090	2.5
71.01242	14.1
71.16579	6.3
73.02805	9.9
78.95766	22.3
83.01221	2.7
89.02258	3.7
96.95877	21.2
101.02305	12.5
113.02306	7.9
119.03415	3.7
130.79358	3.1
135.04416	2.8
150.34517	2.8
152.99487	23.3
161.04391	4.1
174.99097	4.5
195.13770	20.1
197.09634	26.8
199.07579	4.9
200.08308	5.1
201.24940	2.4
207.04974	4.6
209.11728	7.1
213.14809	4.4
215.10684	31.9
216.10783	2.7
217.00237	34.6
255.15964	20.6
257.11774	9.0
275.06583	3.0
381.13403	4.8
463.13495	5.1
463.20969	4.4
463.30991	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74372	0.3
54.02944	0.4
55.01753	0.5
57.03312	0.5
58.00449	0.3
59.01253	10.0
60.74271	0.4
66.74657	0.3
71.01254	5.6
71.04873	0.4
72.99181	0.6
73.02839	1.9
79.95610	0.8
80.02548	1.0
81.03347	1.0
83.01239	1.0
83.04906	4.6
83.74782	0.3
84.02051	1.1
85.02832	1.8
87.00748	1.1
89.02318	3.2
93.00227	0.4
93.03319	0.9
95.01228	0.4
95.04910	0.8
96.95891	14.0
97.06436	0.5
98.95483	0.9
99.00761	0.7
101.02319	5.2
102.02650	0.3
102.47395	0.4
107.01275	0.6
109.02791	0.4
111.00800	0.5
113.02316	2.7
118.97950	0.8
119.03393	1.3
120.99538	0.8
121.02821	0.4
125.02315	0.9
125.05923	0.4
133.02863	1.0
135.04419	0.4
135.08052	0.9
137.02345	0.8
137.09660	0.4
139.00320	0.5
143.03365	0.4
149.02319	1.2
149.04521	0.4
149.06006	0.3
151.00259	1.4
155.10683	1.0
161.04436	1.3
163.00296	0.4
163.11212	4.1
165.01875	0.8
165.12772	2.0
166.16148	0.4
175.03926	0.4
177.01883	0.4
178.05728	0.4
179.05602	0.6
181.12271	0.9
191.05479	0.8
191.10739	1.0
193.04971	0.4
199.09738	0.6
209.11774	100.0
210.12112	5.9
227.12854	16.2
228.13199	1.4
235.08145	0.7
253.09271	12.2
254.09512	0.5
255.03015	0.6
259.01154	0.5
279.15915	0.4
283.02408	0.8
298.30511	0.4
300.02731	1.6
301.03528	11.6
302.03796	0.9
342.08575	0.5
351.43225	0.4
354.79184	0.5
362.10388	0.4
376.08810	0.4
403.23367	0.9
463.08679	3.0
463.21326	1.7
463.25778	1.8
464.09283	0.6
465.63351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	65.1
66.59245	3.7
70.87248	8.7
71.01250	45.3
73.02817	19.1
83.01263	4.9
85.02817	22.3
87.00751	3.6
89.02309	12.5
93.03362	4.6
96.95879	58.4
98.95478	3.5
99.00777	5.7
99.04422	4.5
101.02311	34.9
113.02332	16.3
119.03396	10.2
123.04437	5.7
125.05971	5.2
129.43338	3.8
157.39906	3.9
159.02927	5.8
161.04492	27.2
161.09708	3.9
179.10551	4.4
191.05580	11.8
205.12346	5.1
259.01285	6.6
337.09485	4.7
342.08582	4.5
384.55725	4.4
403.19720	100.0
404.20001	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01381	0.3
55.01772	0.4
59.01251	6.6
69.03324	0.3
71.01249	3.2
71.35327	0.5
73.02827	1.1
80.02549	1.1
81.03319	1.1
83.01243	0.6
83.04892	3.9
84.02032	1.1
84.81178	0.3
85.02821	0.8
87.00753	0.8
89.02313	2.5
95.01257	0.3
95.04882	0.6
96.95904	0.8
101.02320	3.1
113.02310	1.8
119.02620	0.3
119.03394	1.1
120.99518	0.3
125.05943	0.5
135.08032	0.6
158.62448	0.3
161.04492	1.4
163.09975	0.3
163.11220	3.5
165.12778	2.1
179.05547	0.7
181.12218	0.3
191.10730	0.8
209.11772	100.0
210.12138	5.6
210.14050	0.2
225.62660	0.3
227.12836	20.3
228.13168	0.9
235.08253	0.5
253.09261	15.5
254.09621	0.5
301.16422	0.5
379.09460	0.3
463.21683	0.9
477.28183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.3
57.03329	0.5
59.01249	9.2
69.69124	0.6
69.69534	1.0
71.01253	4.5
72.99179	0.8
73.02831	1.3
73.03185	0.2
75.00740	1.0
75.70686	0.2
78.95727	0.3
79.95622	0.5
80.02538	1.0
81.03318	1.4
83.01253	0.9
83.04893	4.2
84.02013	0.6
85.02825	1.0
87.00751	1.1
89.02313	5.1
89.02821	0.4
93.03297	0.3
95.04921	0.7
96.95889	3.5
97.02859	0.3
99.00761	0.6
101.02312	4.7
109.02787	0.3
113.02311	1.9
113.05950	0.3
119.03387	1.3
120.99505	0.4
125.05949	0.3
131.03384	0.4
135.08047	0.5
143.03418	0.3
149.04453	0.8
151.00304	0.4
161.04494	1.3
163.11203	3.4
165.12767	2.3
179.05527	0.8
181.12236	0.4
191.10718	0.5
199.13315	0.6
209.11771	100.0
210.12115	6.1
227.12840	17.7
228.13199	0.9
235.08182	0.4
235.13315	0.3
238.58028	0.3
253.09261	14.2
254.09531	0.5
271.02725	0.4
300.02759	1.0
301.03491	1.0
419.85214	0.3
463.08627	1.2
463.21463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72904	0.9
57.03319	2.1
59.01251	100.0
60.01596	1.2
61.98706	2.2
69.03334	1.2
70.60110	3.2
71.01254	20.5
71.04885	2.3
72.99181	4.6
73.02819	6.4
75.00736	5.2
76.69415	1.0
79.95608	1.5
83.01257	2.1
85.02827	6.0
85.06425	1.2
87.00749	2.6
88.10908	1.0
89.02312	18.1
95.01266	1.7
96.95898	9.8
99.00794	1.2
101.02326	14.2
101.82796	1.1
113.02329	9.7
119.03391	9.5
120.10648	1.0
125.02319	1.1
131.03374	1.8
135.04391	1.3
143.03392	2.8
143.04512	2.1
161.02330	1.3
161.04478	5.6
161.13182	1.1
179.03258	1.2
179.05550	8.8
179.26715	1.0
209.11749	20.2
210.12032	1.1
215.12891	1.1
223.13350	2.1
227.12886	4.2
241.14432	2.3
253.09238	2.5
301.03384	1.7
331.17636	1.6
361.18536	1.0
403.19791	10.3
404.20447	1.2
421.20706	2.8
463.08813	3.4
463.21768	25.2
464.22327	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1035
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
59.01245	41.9
61.98694	1.7
70.57831	1.6
70.63716	3.0
70.64075	3.7
71.01244	6.1
75.22121	1.3
78.29631	1.3
78.95786	2.2
83.01238	1.8
85.02821	3.5
90.12887	1.4
96.95888	3.5
101.02303	2.7
107.01254	2.9
133.02843	3.2
134.04617	5.2
137.01285	1.4
137.02434	1.4
149.02457	1.9
151.00328	9.8
152.99471	3.4
170.98048	1.5
177.01811	2.0
256.03748	1.9
266.05792	2.7
269.04453	2.4
273.67358	1.5
283.02441	1.6
284.03183	4.6
285.04056	10.6
297.04025	6.1
298.04730	3.5
299.00668	2.0
327.04971	3.5
330.03830	2.0
345.07455	1.9
346.09155	1.5
357.07724	5.7
361.07019	9.9
372.06592	1.9
373.07224	7.5
374.07852	19.8
375.08636	2.2
377.95654	1.5
385.07285	13.7
386.07556	2.0
389.06555	4.0
401.06723	9.4
402.07303	13.5
413.06522	7.8
414.07443	52.6
415.07803	13.5
417.06131	7.8
418.06885	40.0
419.07343	4.0
429.06152	4.1
430.06854	26.5
431.07275	3.6
433.09244	70.3
434.09506	7.5
445.09262	100.0
446.09546	11.3
463.10413	25.0
463.25369	23.1
464.10809	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	463.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	1.7
71.06515	1.5
71.14510	0.5
107.01263	2.9
121.02887	0.6
132.02036	1.0
133.01851	0.9
133.02840	11.9
149.02344	2.5
151.00275	7.6
152.99458	0.8
175.03941	3.2
177.01865	0.7
183.04478	0.8
199.03958	2.7
201.01826	0.8
211.04071	0.7
213.05484	0.9
217.04979	1.3
227.03392	1.3
239.03429	0.6
241.04871	1.1
255.02957	35.9
256.03705	28.0
257.04141	2.4
283.02457	65.9
284.03229	83.5
285.03992	100.0
286.04352	6.4
298.04761	1.2
309.03802	0.6
326.04239	0.7
327.05026	0.9
422.82352	0.6
433.09253	1.1
445.09177	2.9
458.52292	0.6
463.10355	16.5
464.10550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
61.40552	0.3
63.02276	0.6
65.00198	1.3
68.91956	0.3
71.57883	0.4
78.95764	3.2
81.98664	0.3
83.01264	1.0
96.95908	0.7
96.96855	0.4
107.01274	3.5
121.02815	0.7
125.02316	0.7
132.02081	0.9
133.02858	12.0
134.03616	0.8
135.04494	0.5
137.02245	0.5
146.03693	0.4
149.02328	2.3
151.00293	7.8
152.94823	0.4
152.99504	5.1
169.01414	0.5
175.03937	3.6
177.01834	1.1
178.02658	0.9
179.07069	0.4
183.04486	1.3
187.03951	0.4
188.04671	0.4
197.05899	0.5
198.03273	0.6
199.03905	2.8
200.04604	0.4
201.01929	1.0
211.03946	1.0
213.05490	0.4
215.03510	0.5
217.00267	1.3
217.05042	1.6
227.03471	2.2
241.05006	1.5
243.03079	1.0
255.02982	42.6
256.03738	36.9
257.04144	2.4
257.30270	0.4
267.02969	0.5
281.04547	0.8
283.02490	63.8
284.03256	100.0
285.04019	83.6
286.04434	4.5
298.04889	0.5
309.04120	0.8
326.04352	1.0
327.05017	0.8
405.09888	0.6
433.09213	4.4
434.09763	0.4
445.09290	5.6
446.09821	0.8
462.18564	0.4
463.10403	9.9
463.21063	1.0
464.10666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80651	0.5
57.54325	0.5
58.00483	0.6
59.01244	13.2
60.01572	0.6
63.02263	0.6
63.13724	0.5
63.44239	0.5
65.00191	4.3
67.01746	0.4
71.01240	6.3
72.99170	3.2
73.02811	2.3
74.98976	0.6
83.01260	2.9
83.04900	0.9
83.18512	0.5
85.02824	2.1
87.00738	1.0
89.02318	5.0
92.35035	0.5
93.03326	0.8
95.01271	1.4
96.95887	3.2
98.20503	1.0
99.00738	1.3
101.02316	4.8
107.01259	4.2
108.02039	0.8
109.02822	1.3
109.99984	0.9
111.00769	0.8
113.02303	2.9
119.03387	0.6
120.99537	0.8
121.02834	2.6
123.00744	1.0
123.04401	1.1
125.02325	2.9
131.03348	0.5
133.02849	4.7
135.02878	0.9
135.04399	1.6
136.98691	2.8
137.02338	1.9
139.00276	0.9
145.02855	0.6
147.00775	1.0
147.02859	0.6
147.04413	1.2
148.01566	0.8
149.02339	7.5
149.04422	1.4
151.00266	12.1
152.00937	1.1
158.03639	0.9
159.04297	0.8
161.02504	0.5
161.04449	2.2
163.00186	0.8
163.03761	0.6
163.11212	0.6
164.00958	0.7
164.98167	0.8
165.01828	6.2
166.99689	0.8
167.03413	1.1
173.02261	0.6
174.03148	1.0
175.00264	1.5
175.03918	1.5
176.01048	0.8
177.01723	0.7
183.04428	0.9
185.00743	0.6
187.03947	0.8
189.05461	0.9
191.03452	1.0
192.00580	1.3
193.01332	1.7
197.09651	0.5
199.03914	1.8
200.04529	1.0
201.01830	2.2
201.05505	0.8
203.03432	1.2
209.11789	7.4
211.03943	1.5
213.05544	0.8
214.02527	0.8
215.03348	2.4
216.04158	1.4
217.01404	0.6
221.06676	0.5
227.03503	3.7
227.12857	2.8
228.04054	1.5
229.05013	1.5
231.02905	0.8
233.04495	0.8
239.03467	1.1
243.02901	1.7
244.03539	0.6
253.09261	1.4
255.02968	4.9
256.03699	6.7
257.04425	5.5
259.02484	1.0
271.02393	2.5
272.03055	3.5
273.03912	1.9
274.73581	0.5
279.05496	0.5
283.02484	4.2
284.03134	1.0
285.03891	1.3
299.01962	1.7
300.02701	36.5
301.03488	100.0
302.03879	7.5
315.01602	0.6
315.73654	0.6
331.17688	2.2
343.04538	1.2
355.07001	0.7
419.09665	2.0
447.08606	0.6
463.08759	65.7
463.21545	3.7
464.09055	7.1
481.04260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
58.00456	0.3
59.01249	11.4
63.02259	0.8
65.00195	5.3
69.03304	0.3
71.01253	6.9
71.58337	0.3
72.99162	0.8
73.02815	2.1
75.20200	0.2
77.87906	0.2
79.95576	0.2
81.03324	0.3
83.01254	2.9
83.04896	0.2
85.02821	1.4
87.00745	0.6
89.02312	8.7
95.01250	0.5
96.95885	2.3
99.00761	2.3
99.04382	0.3
100.39131	0.2
101.02325	4.4
107.01267	8.8
107.04865	0.2
109.02841	0.3
111.00751	0.7
113.02335	2.2
115.03877	0.2
118.97967	0.2
119.02644	0.2
119.03383	1.3
120.99503	0.3
121.02856	0.4
123.00734	0.2
123.04414	0.4
124.01542	0.6
125.02364	1.8
131.03398	1.4
135.00739	0.3
135.02780	0.2
135.43297	0.2
136.99060	0.2
137.02303	0.3
141.09062	0.4
143.03387	0.2
147.00777	0.3
148.01566	2.8
149.02351	8.8
149.04414	6.1
149.99541	1.0
150.04657	0.2
151.00269	17.3
152.00700	0.5
159.04413	0.3
161.04474	1.1
162.03160	0.2
163.00291	0.3
163.03862	0.2
163.11098	0.4
164.01070	0.3
169.01312	0.7
171.04388	0.4
174.03087	0.7
177.01782	0.5
178.99759	0.3
179.05527	0.4
186.03174	0.2
187.03935	0.3
188.04712	0.4
190.02681	0.6
191.03481	0.4
191.05492	1.4
193.01453	0.5
197.09586	0.4
199.03867	0.5
200.04465	0.2
201.01836	0.3
203.03371	0.7
204.04161	0.3
209.11749	3.4
213.01852	0.3
213.09134	0.7
214.02748	0.4
215.03484	1.1
216.04092	0.6
217.01305	0.4
219.84976	0.2
221.06689	0.3
226.02498	0.3
227.03404	1.3
227.12875	1.5
228.04169	0.4
231.02875	0.6
241.14323	0.6
243.02980	2.1
244.03624	0.4
251.07579	0.4
253.09174	0.4
255.02928	1.2
256.03671	0.4
257.04605	0.3
271.02475	4.5
272.03085	1.9
273.03540	0.3
283.02435	1.7
287.01990	0.6
299.01956	1.8
299.05054	0.3
300.02716	100.0
301.03424	30.1
301.06323	0.4
302.03873	1.8
315.01483	0.7
330.03894	0.5
331.17517	0.3
342.08496	0.7
343.04471	0.8
403.19693	0.6
419.13324	0.3
419.19272	0.3
463.08780	57.3
463.21216	2.8
464.09146	7.1
464.15833	0.3
464.22464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12016	0.8
53.77849	1.4
57.03319	3.2
59.01250	7.3
62.81205	1.0
69.75732	6.6
78.57376	0.9
78.95785	12.6
96.95899	5.3
108.89823	1.0
110.98412	9.1
113.09612	8.4
121.10120	3.4
125.09612	1.1
152.99451	1.8
163.68155	0.9
167.01114	5.2
171.10181	14.9
183.13878	1.4
185.02155	8.6
195.13879	1.9
223.13493	1.2
231.21098	1.3
235.17039	1.8
249.22299	1.3
275.20157	18.9
276.20438	1.5
293.21216	100.0
294.21542	8.8
461.12405	1.3
461.23068	14.7
462.23538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.9
59.01248	5.1
69.84679	2.4
71.01242	0.7
72.70216	0.4
78.95774	11.4
78.96206	0.7
92.58781	0.4
96.95885	6.6
97.06442	1.1
104.97389	0.6
110.98409	8.6
113.09599	9.3
115.90930	0.5
121.10107	6.9
125.09615	0.7
127.11239	0.6
139.11163	1.2
152.99529	1.1
167.01071	5.0
167.10709	1.3
171.10164	18.1
172.10509	1.1
179.10674	1.3
183.10136	0.9
183.13841	1.4
185.02122	9.4
185.11745	1.3
195.13860	2.5
211.13376	0.7
223.13390	0.8
231.21107	1.0
235.17047	0.8
249.22227	1.7
275.20142	24.4
276.20554	2.6
293.21213	100.0
294.21536	10.0
442.32614	0.5
461.23068	16.7
462.23358	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86952	0.6
59.01251	5.9
60.32984	0.8
64.94305	0.9
71.01257	1.4
75.00729	1.1
78.95781	12.1
89.01503	0.7
89.02254	0.8
96.95890	5.0
98.19816	1.5
110.98426	10.3
124.89378	0.9
135.04433	0.9
149.90199	0.9
152.99492	2.0
167.01117	4.8
171.10277	4.1
172.88013	2.2
179.14305	1.7
183.10175	2.3
185.02097	8.8
195.13840	7.6
207.10188	0.8
223.13359	7.1
224.13661	1.1
228.13539	1.2
235.16983	3.0
256.13190	2.2
272.09985	0.8
275.20172	14.3
276.20316	1.4
293.21228	100.0
294.21582	7.6
295.41122	0.8
316.17090	0.8
341.14175	1.9
373.13019	0.8
423.13895	1.2
461.09406	1.4
461.23151	23.2
461.29807	1.2
462.23569	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21947	0.7
57.03313	2.2
59.01252	100.0
71.01252	13.0
71.35497	1.6
72.99163	1.4
73.02836	1.1
75.00745	3.3
79.95610	2.2
85.02798	1.9
87.00755	1.8
89.02322	21.7
93.03358	0.9
96.95895	18.2
101.02316	8.2
101.26570	0.8
113.02331	5.2
119.03398	8.1
122.41483	0.7
135.04440	0.8
143.03448	1.5
145.72351	0.9
149.04474	1.4
159.57787	0.9
161.04482	2.3
177.12767	1.5
179.05566	5.5
191.05513	1.1
205.87636	0.8
207.41895	0.8
221.11755	2.1
225.11346	1.0
245.01059	0.9
255.02904	1.1
270.01743	0.9
271.02524	2.3
299.01974	1.9
299.09122	1.2
401.18152	5.3
461.06836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66888	0.2
57.03301	0.4
59.01252	100.0
60.01598	0.7
69.47393	0.8
69.47823	1.2
71.00412	0.2
71.01250	2.4
71.84715	0.3
72.99191	1.0
73.02820	1.2
75.00747	7.2
78.87972	0.2
78.95824	0.2
79.95616	0.4
81.83289	0.2
83.01270	0.5
85.02852	0.8
87.00764	0.3
89.02332	1.7
96.95889	3.6
99.00770	0.2
101.02333	1.7
109.06511	0.3
109.90479	0.2
113.02367	0.8
119.03416	0.6
128.03456	0.3
144.74985	0.3
161.04526	0.9
207.10252	0.6
221.11919	0.4
225.11336	0.9
239.12889	0.4
271.02518	0.5
285.03781	0.3
343.49942	0.3
359.17087	1.2
401.18060	1.2
461.06863	0.3
461.14685	0.3
461.20062	1.8
462.21329	0.4
475.19385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.1
67.05385	0.8
70.80899	0.8
70.81232	1.8
71.01250	7.3
71.04923	0.9
72.99181	1.1
73.02818	1.3
78.95766	2.7
80.02579	1.1
81.03329	2.1
83.01244	1.2
83.04902	2.4
85.02815	1.8
89.02321	5.3
95.04891	1.0
96.95897	5.5
97.02826	6.3
99.00792	1.5
101.02322	6.2
109.06467	28.7
110.03658	1.6
110.98433	1.7
113.02329	3.5
119.03387	1.4
121.06467	1.9
135.08070	3.7
136.05232	1.5
142.02588	2.0
152.99484	2.5
161.04440	3.1
161.09608	1.6
163.11182	19.5
164.11539	0.8
173.25923	0.7
179.05452	1.2
179.10666	1.2
181.12273	6.7
189.09169	2.4
207.10194	100.0
208.10498	4.8
225.11256	60.7
226.11618	3.0
235.16969	4.5
243.12297	1.0
253.09248	19.3
254.09618	1.2
275.20056	7.8
288.13721	0.9
293.21127	10.7
299.15024	2.4
461.20184	54.4
462.20526	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01580	1.1
69.47487	5.5
71.01250	9.9
72.99177	0.8
73.02824	7.5
83.01271	2.2
85.02834	2.5
87.00735	3.5
89.02324	5.8
96.95917	2.5
97.02858	0.6
97.06457	0.8
98.20577	1.2
98.23058	0.6
99.08078	0.7
101.02315	8.3
103.03937	0.7
113.02366	3.0
117.03345	1.8
119.03458	3.1
119.04914	40.7
120.99567	0.7
127.07512	3.6
131.03455	2.1
139.19458	0.6
143.03407	2.1
145.02834	10.0
149.04512	1.0
153.12753	11.0
161.04465	1.2
163.06052	2.8
179.10741	3.5
197.11761	21.9
205.07187	2.1
213.14893	3.6
237.10306	0.7
239.16626	1.4
241.01324	0.8
245.00986	0.8
257.17590	1.9
270.01816	1.2
271.02606	1.2
273.16040	1.0
299.02084	1.8
316.16739	2.1
327.21832	1.8
342.14554	19.1
342.18433	1.1
401.21790	1.9
417.21442	0.8
419.23132	3.1
461.07254	1.9
461.23944	17.5
461.29959	1.3
462.20111	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51025	0.2
59.01249	3.1
61.06649	0.3
66.99527	0.3
69.79832	0.5
69.80238	1.3
71.01268	1.1
72.99186	0.3
73.02814	0.4
78.26438	0.3
79.95612	1.2
85.02834	0.4
87.00745	0.6
89.02277	0.4
93.03348	1.2
96.95262	0.7
96.95885	12.2
97.02847	0.3
98.95459	0.6
101.02338	0.6
106.04054	0.4
107.04915	1.0
113.02287	0.3
115.87650	0.3
121.06462	0.3
133.02841	0.3
134.03670	2.0
135.04416	79.8
136.04738	2.9
137.02327	1.9
139.07565	0.4
151.07570	0.9
161.04694	0.3
179.03415	100.0
180.03741	4.9
191.05698	0.3
201.12698	0.3
204.11438	0.5
207.10176	0.6
219.13867	0.8
241.05092	0.3
255.03229	0.3
259.01266	0.7
263.12820	1.8
266.36914	0.3
271.02405	0.5
281.06531	1.7
283.59451	0.3
299.01910	0.5
329.08609	0.6
341.09625	0.5
355.04782	0.6
363.27029	0.3
377.27936	0.3
461.11469	1.5
462.08319	0.5
467.02060	0.3
482.63565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73640	6.1
57.03322	6.0
58.83355	6.1
59.01256	80.3
59.67470	6.3
71.01259	65.7
71.25724	5.7
71.58245	8.4
72.99191	8.7
73.02819	29.1
75.00752	97.5
79.95615	7.9
83.01272	16.1
85.02827	35.6
89.02333	14.1
93.03342	6.9
96.95889	100.0
99.00745	11.5
101.02333	60.5
113.02312	26.0
125.02319	8.5
159.02882	7.3
161.04448	33.1
202.62592	6.7
221.11679	6.7
269.10257	97.3
341.08154	11.6
401.14563	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.7
61.98685	0.6
71.01248	0.6
71.08263	0.4
71.57423	0.6
78.72652	0.4
78.95773	1.7
83.60790	0.4
90.60455	0.4
102.67470	0.4
106.00507	0.7
108.15913	0.4
124.00754	0.6
124.01572	5.9
145.02737	0.4
149.58472	0.4
152.99480	0.5
180.04234	1.3
198.05283	3.2
201.65317	0.4
279.23276	100.0
280.23618	8.9
339.59634	0.5
375.72748	0.4
382.59500	0.5
460.28253	4.6
461.28574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
54.23517	0.4
59.01250	4.9
59.70269	0.4
69.37037	0.5
71.01241	1.3
79.95619	0.8
89.02312	1.0
96.95890	15.9
98.95466	0.8
109.06421	0.5
140.97174	0.5
151.00256	0.7
159.08801	0.4
163.03941	0.5
195.11154	0.5
207.10217	1.4
211.03966	0.5
225.11290	1.3
242.02069	0.5
255.02965	91.3
256.03391	6.2
258.72516	0.4
268.03812	0.8
269.04529	4.6
281.04364	0.6
283.02469	62.0
284.03125	13.1
285.03940	2.5
297.00668	0.7
297.04007	12.8
298.04810	17.9
299.02237	1.2
299.05524	9.6
313.03494	5.3
341.07297	0.5
446.08502	19.1
447.08627	1.4
461.10901	100.0
462.11258	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	459.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02461	2.5
59.01238	9.3
63.74650	2.4
69.66896	17.8
71.01259	8.1
72.86624	2.5
87.00753	3.4
87.66593	2.4
89.02330	6.8
114.27238	2.8
119.03382	4.1
124.02325	2.3
147.48802	2.8
152.99553	2.7
174.76314	2.3
179.05479	8.7
199.82666	2.5
228.76482	2.3
279.23264	100.0
280.23520	7.1
287.53339	2.8
366.98206	3.0
411.04413	2.4
419.46896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03321	0.8
58.00480	0.4
59.01252	100.0
60.01589	1.1
69.03320	0.2
70.68630	0.8
71.01256	9.5
72.99178	0.5
73.02827	3.1
73.39270	0.3
80.01385	0.2
83.01260	1.6
85.02824	3.6
87.00756	0.8
87.04405	1.0
89.02322	4.6
95.01283	0.9
96.95880	1.1
97.02821	0.4
99.00771	0.9
101.02325	6.9
101.05969	1.9
102.98479	3.5
106.26752	0.2
111.00800	0.3
113.02330	4.0
119.03383	1.1
120.99594	0.3
125.02339	0.6
131.03430	0.6
135.04425	0.2
143.03394	0.4
149.04492	1.3
159.02943	0.3
161.04469	3.0
163.00693	0.2
166.31306	0.2
179.05571	0.7
191.05600	0.4
205.03543	0.2
227.03581	0.4
253.69785	0.2
255.03050	0.6
255.19763	0.7
270.27966	0.2
284.03366	0.3
285.04007	0.3
297.20737	0.7
364.38876	0.2
381.22968	0.4
399.23886	3.6
400.24329	0.5
417.24963	5.1
417.30136	0.4
418.25513	0.5
459.08972	0.4
459.22116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
57.03321	0.7
59.01247	100.0
65.86051	0.6
68.39899	0.6
71.01250	9.4
71.57533	0.8
73.02815	4.0
82.29529	0.6
82.34018	0.7
83.01279	1.2
85.02808	5.2
87.57339	0.6
89.02316	3.4
95.01286	0.8
96.95879	3.6
97.06460	0.6
99.00726	1.1
101.02312	6.7
113.02348	2.6
113.40076	0.6
119.03394	0.7
121.02853	5.2
129.40672	0.6
133.02826	0.7
152.99501	0.7
159.02907	0.9
161.04465	6.8
171.10342	0.7
175.78693	0.6
187.07722	0.7
191.05525	1.0
217.12579	0.8
307.19214	2.5
310.96356	0.7
313.07178	1.2
325.20172	1.4
399.23837	23.8
400.24225	2.5
401.08936	3.7
417.24036	1.2
459.25159	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03324	0.9
58.00464	0.5
59.01248	100.0
60.01586	1.1
63.90651	0.2
70.70798	0.2
70.89561	0.5
71.01252	12.9
72.99164	0.4
73.02819	4.6
75.00787	0.2
81.03335	0.3
83.01254	2.3
85.02821	5.1
87.00759	1.3
87.04381	1.2
89.02313	4.8
90.71615	0.2
95.01264	1.1
96.95895	0.7
96.96487	0.2
97.02790	0.4
99.00751	1.5
101.02321	9.1
102.02702	0.3
111.00072	0.2
111.00782	0.9
113.02325	6.5
113.36649	0.2
119.03372	1.5
125.02362	0.5
141.01694	0.2
143.03400	1.0
144.38878	0.2
155.33047	0.2
159.02876	0.5
161.04459	3.8
169.12234	0.7
179.05559	0.7
186.96820	0.2
207.21817	0.2
217.12369	0.2
226.55061	0.2
227.16548	0.3
239.16315	0.2
251.42540	0.2
255.19724	0.9
317.16428	0.3
329.19739	0.8
335.16656	0.2
356.62692	0.3
369.59653	0.3
381.22916	0.5
399.23837	10.0
400.24271	1.1
404.42209	0.2
417.24918	8.5
418.25146	1.0
459.22763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
58.00459	1.5
59.01251	100.0
60.01575	1.4
69.03327	3.2
69.63942	7.1
71.01258	15.2
72.99191	2.9
73.02822	8.6
80.96416	1.4
83.01266	2.6
83.04906	1.6
85.02805	5.6
87.00764	4.5
87.04394	1.4
89.02318	8.7
95.01268	1.4
96.95880	12.1
99.00758	2.7
101.02327	8.9
109.02885	1.4
111.00758	1.2
111.04432	1.9
111.63453	1.0
113.02338	6.8
115.02099	1.7
118.97968	1.2
119.03396	2.2
120.99554	1.5
125.02312	1.3
128.00685	1.0
133.02843	5.9
135.04436	3.2
143.03349	1.7
149.00885	1.2
151.03951	1.2
161.02437	1.3
161.04459	3.4
177.01883	3.7
178.02602	1.5
179.03456	2.1
185.00781	1.5
211.13277	2.0
217.12250	4.2
237.14915	2.2
261.11407	5.0
399.19720	1.8
399.24298	2.1
417.20929	2.4
459.08542	1.7
459.22656	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	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03321	0.5
58.00474	0.2
59.01247	100.0
60.01579	0.8
71.01248	7.1
71.52741	0.2
71.58043	0.3
72.99139	0.2
73.02817	1.5
78.01368	0.2
79.22495	0.2
83.01266	0.8
85.02814	3.6
87.00721	0.3
87.04358	0.9
89.02315	1.9
89.32613	0.2
90.00661	0.2
92.13289	0.2
93.03397	0.2
95.01270	0.8
95.86189	0.2
96.95901	0.6
97.02845	0.2
99.00749	1.1
101.02314	2.8
113.02323	6.5
119.03408	0.5
140.50157	0.2
142.57875	0.2
143.03413	0.3
159.02916	0.4
161.04472	2.8
217.12332	0.2
255.19704	0.3
261.11203	0.4
366.30127	0.2
399.23837	5.7
399.28821	0.4
400.24225	0.5
417.24905	2.2
418.25342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
57.03321	21.5
59.01249	15.4
60.79851	0.6
71.01247	8.0
71.22785	1.5
72.99169	1.6
73.02776	1.6
75.00745	0.9
83.01244	0.8
83.04878	3.7
85.02827	4.2
87.00747	26.7
89.02313	7.3
96.95890	4.9
97.06431	0.9
98.95470	0.6
101.02316	3.8
103.91906	0.6
107.04893	1.4
113.02303	2.3
119.03366	2.3
119.08514	1.7
123.07993	1.2
125.05967	1.9
137.09624	9.1
143.07010	2.3
149.09587	2.8
153.47549	0.6
165.09114	1.5
165.12753	1.1
175.11163	1.9
177.09064	0.9
189.12784	1.2
193.12234	0.7
207.13866	4.1
209.11705	1.1
217.12297	1.4
235.13350	5.7
251.12943	3.4
253.14427	15.1
254.14948	1.6
269.13947	0.7
279.12302	2.6
297.13419	100.0
298.13733	7.5
459.18744	38.2
460.18979	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	459.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89558	1.2
57.03299	1.8
59.01246	100.0
60.01590	3.9
61.01667	2.5
69.32835	9.4
71.01249	19.6
72.01591	1.1
73.02811	8.8
76.71811	1.1
83.01251	3.3
85.02823	6.3
87.00744	2.9
88.96471	1.1
89.02299	5.2
93.03343	1.5
95.01236	2.1
96.95886	8.0
99.00730	1.9
101.02315	14.1
108.60793	1.1
109.02799	1.8
111.04343	1.3
113.02316	8.6
113.37119	1.1
114.02661	2.0
119.03397	1.6
121.02820	1.8
134.03610	27.4
135.04445	3.2
149.06003	7.0
152.01015	2.1
153.01855	1.1
161.04408	1.4
177.16695	1.0
178.02606	3.1
179.03421	2.0
191.05432	2.5
193.04999	15.6
193.15970	1.6
217.12090	2.2
237.14897	3.1
238.06393	2.1
245.24263	0.9
253.08734	2.6
254.51125	1.1
255.16060	1.3
261.11298	1.4
268.03650	3.0
269.04480	2.3
370.62817	1.1
373.18622	4.2
398.22595	1.1
399.23553	2.6
415.19632	13.4
416.19547	1.5
417.20670	2.4
459.11835	4.1
459.22186	20.2
460.22675	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.3
59.01251	100.0
60.01596	0.7
64.73591	0.3
69.03340	0.3
69.15967	0.2
69.64272	1.7
71.01256	4.4
72.99172	0.5
73.02822	1.5
83.01265	0.7
85.02837	1.1
87.00751	0.9
89.02320	2.6
90.06670	0.3
92.11618	0.3
96.95910	1.1
101.02332	3.0
113.02346	1.6
119.03419	1.1
128.03435	0.9
135.04553	0.2
143.03432	0.4
149.00829	0.6
161.04486	1.3
177.09178	0.3
195.10245	0.9
205.77248	0.2
241.11981	0.5
283.13348	0.4
339.14624	1.0
357.15552	2.4
358.16016	0.3
399.16550	3.5
399.21243	0.3
459.18658	0.5
459.24622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19268	0.8
55.01751	1.0
57.03311	1.2
59.01249	100.0
60.01576	2.0
61.98684	1.5
65.02561	0.8
66.03061	0.8
69.03333	1.5
71.01254	16.5
71.58461	1.7
72.99187	2.4
73.02811	7.2
78.95746	0.8
83.01263	3.9
85.02819	5.9
87.00751	2.9
89.02319	6.8
95.01259	1.5
96.95872	9.0
97.02821	1.4
99.00737	2.2
101.02323	11.4
103.24249	0.9
112.98650	1.3
113.02341	10.4
115.13443	1.2
118.98014	2.4
119.03381	2.2
133.02846	2.2
135.04446	1.2
135.98268	1.2
141.05644	0.9
142.62541	1.0
143.03416	0.9
161.02332	1.1
161.04451	2.9
163.73128	0.8
179.03416	2.1
211.13412	2.1
217.12326	1.4
223.13383	1.4
225.55328	1.0
237.15041	1.6
255.19576	1.1
261.11353	1.0
265.07605	1.2
265.43539	1.0
325.09634	2.6
329.19653	1.1
355.17587	1.5
373.18655	2.8
399.23758	3.8
415.19705	17.6
416.19968	1.9
417.24966	2.9
459.22430	10.3
459.29047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01249	100.0
60.01593	0.9
65.12265	0.2
66.05763	0.2
69.03340	0.2
69.32098	1.7
69.32505	0.5
71.01251	2.8
72.99170	0.4
73.02821	1.0
75.00743	0.2
79.95604	0.5
83.01274	0.3
85.02826	1.1
87.00741	1.2
89.02325	0.8
96.95896	5.1
97.02837	0.3
98.20489	0.4
99.00772	0.4
101.02320	2.1
113.02328	1.3
115.15642	0.2
127.28581	0.2
135.04454	0.5
139.07509	1.4
143.03410	0.3
146.45119	0.2
149.00836	0.4
149.02296	0.3
150.05521	0.5
159.02965	0.2
161.04471	1.3
165.09138	0.5
195.10172	0.2
203.05528	0.2
223.38530	0.2
328.08371	0.6
339.14548	0.4
357.15488	1.9
399.16586	1.8
400.16852	0.3
401.80701	0.2
459.18341	0.4
462.41409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99071	1.5
57.03905	2.1
59.01243	4.8
71.01264	4.8
71.56805	1.6
73.02811	42.9
73.03185	3.2
85.02839	4.1
89.02335	3.1
99.00747	4.9
101.02335	2.4
106.47926	1.9
113.02336	3.5
116.92729	6.0
117.01818	100.0
118.02134	2.8
118.05014	3.4
151.06010	2.6
163.38762	1.9
175.91293	1.8
182.35535	1.9
208.05525	2.0
341.10999	3.5
426.41522	1.8
439.11456	1.9
459.13470	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48957	0.2
55.01762	0.3
57.03325	0.8
58.00469	0.4
59.01246	100.0
59.76391	0.3
60.01577	1.3
60.68988	0.2
69.72159	1.4
71.01248	14.2
72.99183	0.6
73.02814	3.7
79.95611	0.5
83.01254	1.7
83.04893	0.4
84.02127	0.3
85.02821	4.9
87.00768	1.0
89.02313	8.8
93.03353	0.5
95.01283	1.2
96.95888	7.2
99.00769	0.9
101.02311	7.1
108.39442	0.2
113.02322	10.9
115.00149	0.2
119.03380	3.2
125.02369	0.4
131.03406	0.3
133.37045	0.3
143.03413	1.1
145.09785	0.3
149.00864	0.4
149.04535	0.4
158.23837	0.3
159.03001	0.3
161.04489	2.8
179.05574	1.2
191.05548	1.6
193.16188	0.3
207.17886	0.3
213.09294	0.3
217.00337	0.4
223.04033	0.3
235.16975	0.5
253.18040	4.2
253.20625	0.3
310.16888	0.3
337.04037	0.5
347.13876	0.3
382.46750	0.3
397.22498	3.5
398.22321	0.3
415.23520	1.6
416.24002	0.4
439.25336	0.4
457.20715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03316	1.1
58.00461	0.5
59.01251	100.0
60.01585	0.9
67.23199	0.2
69.03310	0.6
69.70927	1.5
71.01254	16.0
72.99195	0.6
73.02819	4.9
76.27963	0.2
78.20979	0.2
78.95779	0.3
79.95621	0.2
80.73765	0.2
83.01247	1.7
85.02823	7.8
87.00765	1.1
89.02321	7.2
95.01266	2.0
96.95894	1.6
97.02840	0.6
97.31371	0.2
99.00751	1.2
101.02327	9.2
111.00775	0.3
111.43438	0.2
113.02331	15.1
114.81106	0.2
119.03390	3.2
123.90897	0.3
124.05205	0.9
125.02348	0.5
129.01913	0.3
143.03442	1.0
147.11742	0.4
149.04536	0.3
158.11241	0.3
159.02907	0.4
161.04471	3.6
165.12798	0.6
179.05531	1.2
191.05515	1.6
235.17226	0.3
253.18124	0.8
285.04443	0.3
327.18295	0.5
397.22302	10.8
398.22675	0.8
415.23413	8.7
415.28683	0.5
416.23880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97391	0.5
55.01760	0.9
57.03315	1.6
59.01248	100.0
60.01586	0.9
68.94192	0.5
68.99708	0.6
69.03331	1.4
69.25736	5.6
71.01250	17.0
72.99185	0.5
73.02812	6.6
75.00741	0.7
77.91379	0.5
79.95615	1.1
81.03347	0.6
83.01260	3.1
85.02824	9.9
85.99982	1.0
87.00762	1.8
89.02331	2.1
95.01273	1.5
95.95113	0.6
96.95890	12.6
97.02829	0.8
98.19831	1.0
99.00764	2.1
101.02318	12.0
107.04921	1.3
108.02072	0.6
109.02858	1.4
110.97383	0.5
111.00780	0.8
113.02323	6.2
118.40108	0.5
119.03367	1.0
125.02368	2.4
128.03407	0.6
133.02962	0.8
135.04478	0.6
136.15807	0.5
140.82214	0.5
143.03432	2.2
151.03929	1.0
153.01849	1.3
159.02911	1.0
160.01578	0.6
161.04466	4.9
162.02647	0.5
163.03947	1.1
175.03931	1.2
179.03487	0.6
184.78568	0.5
191.05556	0.7
193.05055	0.8
212.90575	0.5
214.47189	0.5
236.48769	0.6
241.26810	0.5
253.18198	1.1
260.03677	1.3
397.22333	5.1
415.17886	0.9
415.23373	17.7
415.28717	1.0
416.23999	2.3
457.12198	2.8
457.17978	0.8
457.24707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48957	0.2
55.01762	0.3
57.03325	0.8
58.00469	0.4
59.01246	100.0
59.76391	0.3
60.01577	1.3
60.68988	0.2
69.72159	1.4
71.01248	14.2
72.99183	0.6
73.02814	3.7
79.95611	0.5
83.01254	1.7
83.04893	0.4
84.02127	0.3
85.02821	4.9
87.00768	1.0
89.02313	8.8
93.03353	0.5
95.01283	1.2
96.95888	7.2
99.00769	0.9
101.02311	7.1
108.39442	0.2
113.02322	10.9
115.00149	0.2
119.03380	3.2
125.02369	0.4
131.03406	0.3
133.37045	0.3
143.03413	1.1
145.09785	0.3
149.00864	0.4
149.04535	0.4
158.23837	0.3
159.03001	0.3
161.04489	2.8
179.05574	1.2
191.05548	1.6
193.16188	0.3
207.17886	0.3
213.09294	0.3
217.00337	0.4
223.04033	0.3
235.16975	0.5
253.18040	4.2
253.20625	0.3
310.16888	0.3
337.04037	0.5
347.13876	0.3
382.46750	0.3
397.22498	3.5
398.22321	0.3
415.23520	1.6
416.24002	0.4
439.25336	0.4
457.20715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01249	100.0
60.01585	0.7
69.03332	1.5
70.28819	2.4
71.01253	26.2
72.99200	2.1
73.02818	20.6
83.01253	6.7
85.02829	5.3
87.00771	2.3
89.02308	9.6
95.01276	1.1
96.95885	6.6
99.00777	1.0
101.02328	20.7
113.02333	15.2
114.84367	0.5
119.03376	3.9
120.60362	0.6
121.02840	1.0
125.02327	1.3
131.03435	1.6
133.02878	0.7
143.03375	2.9
149.00867	2.4
149.04443	1.5
161.04466	6.5
161.13278	4.3
179.05569	1.2
191.14331	3.0
230.58337	0.7
235.13524	1.1
303.50684	0.6
336.59000	0.8
397.22455	4.6
415.23657	1.2
457.20877	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	457.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94321	1.1
58.99476	1.6
59.01248	100.0
59.66235	1.3
60.01582	1.5
65.83561	1.2
69.03297	1.5
71.01249	19.7
71.58789	1.9
72.85114	1.1
72.99162	2.4
73.02824	8.1
74.98960	3.6
78.33764	1.3
78.95779	2.1
79.95588	1.7
80.96371	1.2
81.03273	1.3
83.01247	3.1
83.04898	1.7
85.02823	5.0
87.00739	5.0
89.02303	5.7
92.44066	1.1
95.01237	1.7
96.95889	11.4
97.02782	1.3
98.95476	1.2
99.00767	4.3
101.02305	16.2
102.98450	5.6
104.87474	1.2
105.34220	1.2
113.02325	7.7
119.03382	3.0
121.02748	2.0
124.05083	1.3
135.04419	3.7
136.98997	2.0
137.02274	1.3
143.03310	1.3
149.00803	5.3
149.02200	1.8
150.90985	1.2
161.04448	4.2
170.07495	1.5
173.70152	1.3
179.03349	2.4
180.63725	1.4
210.89169	2.2
217.00226	4.6
224.99495	1.3
253.17926	1.4
276.26160	1.3
374.99213	1.7
397.22501	6.2
415.23465	5.9
457.20718	1.6
457.28488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03324	1.6
58.00464	1.2
59.01251	100.0
60.01586	1.1
69.03330	2.3
71.01252	29.6
72.99194	3.1
73.02820	32.6
79.95642	0.6
80.80211	0.6
81.03301	0.7
83.01263	8.7
83.45135	0.6
85.02815	5.6
87.00751	4.2
89.02312	7.2
95.01237	1.9
96.95904	5.6
97.02822	1.2
98.20540	2.3
99.00760	2.1
101.02325	26.0
102.02714	0.6
109.02821	0.8
109.06406	0.6
111.00751	0.8
111.04376	1.6
112.98708	0.8
113.02331	12.3
119.03393	2.5
121.02829	1.6
121.06499	1.5
125.02365	0.9
131.03363	2.1
133.02821	1.4
135.04404	2.0
135.98256	2.2
137.02301	1.0
143.03384	2.1
149.00797	4.6
149.02316	1.4
149.04355	1.2
155.03452	0.9
161.04469	6.0
165.01753	0.6
166.02563	1.6
173.13234	2.6
178.06201	0.6
179.03334	1.2
191.14311	6.3
195.13698	0.6
217.12300	3.5
235.13342	6.5
241.62973	0.7
252.52121	0.6
253.18054	1.4
261.11313	5.0
262.11615	1.0
267.83771	0.6
278.84198	0.6
349.19965	0.6
365.20508	1.0
397.22424	11.0
398.22388	1.0
415.18515	1.3
415.23846	6.6
457.20621	30.8
458.20770	3.5
473.41873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
57.79151	1.2
59.01250	100.0
61.96928	1.0
69.03317	1.3
71.01254	14.4
72.99173	2.5
73.02824	5.4
83.01241	3.0
84.34113	1.1
85.02823	3.9
87.00740	2.7
89.02320	4.9
96.95897	4.9
99.00742	2.2
101.02299	8.4
107.66724	1.3
113.02331	4.9
121.02845	1.7
149.00801	4.0
151.03946	1.4
161.04453	3.8
165.01802	1.6
203.05551	3.6
207.13835	8.2
213.44629	1.5
232.91771	1.2
258.86765	1.1
352.43628	1.3
397.22083	2.3
415.23282	3.2
457.20862	7.1
460.59714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67680	0.8
57.03303	1.6
58.00452	1.6
59.01249	100.0
69.03312	1.5
71.01250	23.0
71.58740	1.5
72.99173	2.4
73.02818	7.6
73.31619	0.8
80.91554	4.9
83.01269	2.7
83.04867	0.9
85.02824	7.4
87.00751	2.4
89.02313	12.7
95.01281	1.7
95.04945	1.0
96.95871	5.0
98.73858	0.8
99.00768	1.9
101.02318	15.7
111.07938	0.8
113.02332	14.0
119.03388	3.7
120.11564	0.9
125.02326	1.1
131.03426	0.9
143.03409	0.8
161.03346	0.9
161.04474	5.5
173.13129	1.6
179.03377	0.9
183.13744	1.0
191.14386	1.0
195.13837	11.0
199.07463	0.9
221.11624	1.1
223.13155	5.5
235.13182	4.6
237.11105	1.0
252.15891	0.9
253.12982	1.3
267.12158	3.5
277.14197	20.4
278.14581	1.4
279.12189	2.2
289.14163	2.3
309.11942	2.9
331.14151	1.7
352.70566	0.8
375.20242	17.6
376.20624	1.6
397.18109	31.3
397.22443	4.4
398.18234	2.3
398.22855	1.2
414.21011	1.0
415.23633	5.8
441.17163	1.2
457.21509	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	457.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.2
69.03307	0.9
69.89902	2.0
71.01250	1.0
72.99163	1.1
73.02792	0.4
75.92856	0.4
79.95602	7.7
80.96412	0.8
84.53310	0.4
87.00729	1.5
89.02303	0.7
95.95106	7.8
96.95885	100.0
98.19854	0.7
101.02325	1.1
107.04914	0.5
109.02801	0.9
110.97471	3.4
112.98703	0.9
119.04906	0.8
125.99468	0.8
134.03647	0.8
135.04379	1.1
137.02342	0.6
138.97011	0.9
141.95654	0.8
146.99307	0.5
149.00842	3.2
151.03911	0.8
153.01866	0.6
161.02338	0.6
161.04533	0.4
163.03937	2.6
165.05508	0.8
179.03397	0.5
179.07034	0.8
185.00815	0.8
223.35571	0.4
231.03168	2.1
245.01167	2.2
252.23621	0.4
259.02759	4.2
260.03564	15.7
261.04123	1.4
273.04413	2.8
273.07068	0.6
297.68918	0.5
333.20108	0.5
387.22186	0.5
457.11707	56.8
458.11996	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	457.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90757	1.7
56.97893	1.7
59.01251	35.3
68.99706	3.3
71.01244	12.6
71.58341	3.5
72.99202	3.6
73.02824	10.1
84.99199	2.0
85.02818	3.1
87.00761	14.1
89.02293	4.7
96.95890	30.6
101.02331	14.3
103.00293	1.8
109.02817	6.5
111.00762	3.7
112.98703	25.5
113.02333	5.0
115.85763	1.9
117.03391	1.8
118.98026	2.4
119.04916	45.4
119.05725	3.4
130.99782	2.9
133.02843	5.6
134.03607	2.2
135.04407	58.4
137.02309	2.9
139.00264	4.6
145.02885	11.6
147.04466	6.2
149.00822	10.7
159.04465	3.8
161.02353	13.9
161.04498	2.2
161.06006	2.2
163.03918	100.0
164.04292	2.5
164.16742	1.9
175.03944	7.3
177.05431	4.4
179.03410	40.9
180.04039	2.4
187.03894	3.2
191.03452	5.0
191.05479	3.4
203.03442	16.6
205.05038	3.4
215.03435	2.6
219.02937	24.4
231.03008	4.8
249.58247	2.1
277.03543	15.8
277.88977	1.9
293.03033	16.2
295.04593	24.6
295.11551	3.0
301.77399	2.4
313.98032	1.9
337.03894	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72224	0.4
53.68068	0.4
55.27563	0.4
59.01254	0.5
62.72702	0.4
64.10705	0.5
69.79227	2.1
71.01221	0.5
79.95590	2.0
80.96397	2.7
82.25201	0.4
83.79017	0.4
93.32277	0.4
95.95108	0.6
96.95890	100.0
97.95784	0.6
98.20499	0.5
106.45296	0.4
118.94065	0.5
163.03972	0.5
167.61154	0.5
170.07321	0.7
171.08052	4.7
185.09627	1.0
189.86032	0.4
195.08093	0.7
198.06755	1.8
213.09073	1.3
219.02690	0.4
229.08598	0.5
233.66724	0.4
242.05835	0.6
257.08185	3.0
314.04034	0.5
337.03860	18.4
338.04251	1.2
372.66040	0.5
456.98895	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	456.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
73.02794	0.3
73.30439	0.3
73.48511	0.3
75.78252	0.3
79.95623	1.7
80.96386	3.5
92.01456	0.3
96.95882	100.0
97.95824	0.5
102.95807	0.3
103.00200	0.3
112.98657	0.4
131.01724	0.3
133.57976	0.3
133.72386	0.3
135.04411	0.7
136.12628	0.4
163.03894	0.8
163.07553	0.4
171.08057	4.2
171.62752	0.3
172.08350	0.6
179.21800	0.3
184.08716	0.4
185.09621	1.0
195.08107	0.4
197.04680	0.3
198.06737	2.2
202.87628	0.3
213.09166	1.8
222.12730	0.3
238.33937	0.4
257.08151	3.3
337.03851	20.0
338.04312	1.7
456.98785	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21733	0.6
63.88708	0.5
67.03967	0.6
70.66199	1.1
70.66568	1.2
92.64993	0.5
96.94536	0.5
139.44044	0.5
194.12105	0.7
196.17029	0.5
225.49335	0.6
340.35751	0.6
455.35312	100.0
456.35696	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	455.3532
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.31835	0.6
55.10933	0.7
69.87491	4.2
75.55721	0.8
86.06480	0.6
87.22102	0.6
94.11472	0.7
98.20493	1.4
133.57999	0.7
156.41074	0.7
170.60381	0.8
214.84569	0.7
407.33200	1.2
455.35266	100.0
456.35593	17.2
460.13257	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49177	0.3
57.01966	0.4
59.01229	0.6
62.50640	0.5
69.61824	0.4
70.08369	1.8
163.44958	0.4
175.95280	0.4
191.00513	0.5
246.52269	0.4
268.30804	0.4
313.95944	0.4
455.35315	100.0
456.35718	13.7
456.40649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16368	0.2
62.11715	0.3
65.90673	0.3
69.59043	2.0
78.10089	0.3
79.01215	0.2
118.78191	0.2
132.27594	0.3
306.09195	0.3
338.25241	0.3
349.23788	0.3
455.35269	100.0
456.35623	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	455.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41158	0.3
98.20570	0.6
126.97211	0.3
131.15237	0.3
147.61244	0.3
229.38359	0.3
229.40477	0.3
407.33206	1.7
455.35278	100.0
456.35605	14.1
465.42590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30104	6.8
59.01231	17.8
61.79342	6.6
63.45746	5.8
71.58841	8.6
78.95776	19.1
81.03288	7.0
125.66579	6.8
134.20860	7.0
143.06992	8.3
153.12778	9.3
163.11252	8.2
165.09132	7.1
165.12749	16.3
181.10757	11.0
181.12256	100.0
199.13266	36.2
200.20297	5.7
209.11792	53.7
213.14847	10.4
215.12842	8.5
227.20201	14.9
253.59761	6.5
363.25284	16.8
381.26379	30.8
455.35352	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	455.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70058	1.1
57.03342	1.1
59.01242	3.5
63.96116	11.6
65.03835	2.4
68.99350	1.0
68.99686	6.2
70.11680	1.0
70.81960	2.1
70.82304	1.4
77.23051	1.0
79.95606	4.5
81.03319	8.6
82.77239	1.0
83.12984	1.0
91.05392	5.5
93.03345	3.7
93.06976	1.1
95.01261	14.5
95.04893	7.2
97.75417	1.0
99.67157	1.0
104.80275	1.2
106.04190	1.3
107.04908	18.0
108.02053	3.0
109.02842	8.0
114.16378	1.0
118.58044	1.2
119.04914	16.2
121.02828	4.8
121.06493	10.0
122.03604	6.0
123.04411	3.3
125.02321	1.3
133.06383	5.1
135.04411	100.0
136.04771	3.3
137.05980	29.9
143.08861	2.7
147.04431	15.5
149.02327	1.7
150.03119	3.5
150.06754	4.6
162.83856	1.4
163.03888	3.6
164.02980	1.1
175.07903	1.6
179.01633	5.3
180.02441	7.5
181.03160	3.7
182.05750	10.8
196.01936	2.1
212.01430	14.5
261.18600	3.2
275.14700	1.5
293.15811	9.0
294.16531	36.1
295.17075	3.4
311.16696	1.3
326.15543	92.8
327.15829	8.2
371.12244	1.1
455.26617	3.2
455.35388	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	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
53.63329	0.3
53.94131	0.3
55.01750	1.0
56.45025	0.3
57.03318	1.6
58.00464	1.9
59.01250	38.6
60.01580	0.5
63.57547	0.3
71.01252	25.1
71.57603	0.5
72.01585	0.3
72.99181	2.6
73.02811	2.0
83.01250	1.9
85.02819	6.0
86.03127	0.4
87.00744	1.1
89.02316	20.5
95.01234	1.7
95.04877	0.4
95.40341	0.3
99.00751	1.0
100.03743	0.4
101.02317	12.9
102.00432	0.3
111.08043	0.5
113.02325	8.0
113.09619	0.5
115.91938	0.4
119.03384	7.4
131.03378	0.4
151.13158	0.3
179.14328	0.5
181.12117	0.3
195.13800	0.6
205.12242	0.4
205.15999	0.9
208.92990	0.5
223.13354	1.6
231.21039	0.5
275.20123	6.1
276.20511	0.5
277.21698	1.1
278.05673	0.3
293.21222	26.3
294.21558	2.8
437.25314	0.4
455.26483	100.0
456.26794	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	455.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.2
71.57690	0.8
78.95772	20.0
78.96209	1.5
96.96836	1.0
143.07031	7.1
152.99486	30.6
157.86168	1.0
160.84132	3.8
171.00700	1.1
181.12259	1.8
196.88641	0.9
227.03171	5.3
227.20105	100.0
228.20404	6.8
245.04308	1.1
363.19214	0.8
373.58542	1.0
420.09189	3.0
455.24088	50.0
455.34464	1.8
456.24228	4.9
457.42926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
66.67957	0.2
71.53294	0.6
78.95779	7.4
96.96838	0.7
115.91944	0.3
152.99486	14.7
160.84100	0.4
162.83813	0.8
171.00546	1.2
202.92439	0.2
208.93130	0.3
227.03236	3.3
227.20107	100.0
228.20450	6.6
245.04361	1.2
277.18042	0.4
295.19128	0.3
455.24115	24.0
455.34906	0.8
456.24402	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98713	0.5
71.01244	1.2
71.58344	0.7
84.44928	0.4
89.02312	0.8
96.95924	0.9
101.02306	0.9
115.91963	0.7
142.19284	0.4
171.10159	0.6
174.93385	0.8
174.99283	0.8
192.95723	0.8
195.66949	0.5
208.93167	0.6
217.00331	2.0
251.34587	0.5
269.10648	0.5
271.12442	0.5
311.12000	0.7
313.13300	8.1
314.13885	0.5
357.12952	0.8
455.14954	0.8
455.26254	0.9
455.35657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30887	0.4
50.74108	0.4
55.83158	0.4
56.55714	0.4
59.01247	100.0
60.01579	0.9
64.85886	0.5
65.29464	0.5
66.36552	0.5
69.82819	2.0
69.83224	0.8
71.01253	1.1
80.17955	0.5
81.15393	0.5
89.02321	1.0
89.91216	0.5
96.95879	0.7
98.20454	0.6
101.02316	0.6
115.91953	0.6
157.81856	0.4
174.93350	1.0
192.95847	0.7
208.93074	0.6
265.80551	0.5
267.07034	0.6
359.02179	0.5
395.15363	1.4
455.26950	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60799	0.7
54.99968	0.7
55.01760	1.6
57.03309	2.6
58.00455	1.1
59.01247	59.5
64.08288	0.8
69.03329	1.8
71.01250	28.3
71.57399	0.7
72.99181	2.2
73.02805	10.8
78.95756	1.6
79.85739	0.6
83.01248	4.6
85.02816	15.3
87.00738	2.6
89.01804	0.8
89.02306	5.2
95.01241	2.5
96.95889	4.6
97.02827	2.1
99.00742	3.6
99.04394	2.1
101.02313	16.2
109.46925	0.8
111.00711	0.6
111.97272	0.7
113.02315	9.9
119.03371	1.9
125.02344	1.4
129.01857	1.1
135.04395	1.5
143.03383	1.4
159.02844	1.0
161.04448	3.2
162.89220	0.9
171.10176	0.9
179.03427	0.9
184.73618	0.7
233.15338	1.8
235.14641	1.0
235.16994	18.3
236.17221	0.8
248.52629	0.8
251.16548	5.5
267.09058	0.8
295.08447	1.0
313.50064	0.7
364.15149	0.8
365.16489	1.1
395.20691	9.2
396.21140	0.9
397.11075	0.9
413.21762	21.6
414.22107	2.8
417.11273	1.9
419.11014	2.6
425.10257	1.0
440.12677	1.5
455.22815	100.0
456.16739	1.5
456.23267	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.177
Annotation	(LRha)3
Peak:m/z	Relative Intensity
58.00473	1.4
59.01252	51.8
69.92221	0.7
71.00891	0.9
71.01255	11.6
71.20573	1.2
72.99167	2.3
73.02821	10.4
85.02824	5.0
85.99992	1.0
87.00742	5.1
87.04389	1.6
89.02312	9.5
97.02863	1.0
101.02326	20.8
102.89220	0.7
103.03900	7.5
111.04381	1.0
113.02334	1.5
115.03909	2.7
119.03391	3.6
129.05467	4.8
131.03397	8.3
143.03401	10.7
145.04967	2.8
163.06032	20.6
205.07120	14.6
248.43835	0.7
265.09354	2.0
280.57016	0.7
336.17780	0.8
385.35153	0.8
455.17682	100.0
456.18021	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60799	0.7
54.99968	0.7
55.01760	1.6
57.03309	2.6
58.00455	1.1
59.01247	59.5
64.08288	0.8
69.03329	1.8
71.01250	28.3
71.57399	0.7
72.99181	2.2
73.02805	10.8
78.95756	1.6
79.85739	0.6
83.01248	4.6
85.02816	15.3
87.00738	2.6
89.01804	0.8
89.02306	5.2
95.01241	2.5
96.95889	4.6
97.02827	2.1
99.00742	3.6
99.04394	2.1
101.02313	16.2
109.46925	0.8
111.00711	0.6
111.97272	0.7
113.02315	9.9
119.03371	1.9
125.02344	1.4
129.01857	1.1
135.04395	1.5
143.03383	1.4
159.02844	1.0
161.04448	3.2
162.89220	0.9
171.10176	0.9
179.03427	0.9
184.73618	0.7
233.15338	1.8
235.14641	1.0
235.16994	18.3
236.17221	0.8
248.52629	0.8
251.16548	5.5
267.09058	0.8
295.08447	1.0
313.50064	0.7
364.15149	0.8
365.16489	1.1
395.20691	9.2
396.21140	0.9
397.11075	0.9
413.21762	21.6
414.22107	2.8
417.11273	1.9
419.11014	2.6
425.10257	1.0
440.12677	1.5
455.22815	100.0
456.16739	1.5
456.23267	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.171
Annotation	Kushenol G
Peak:m/z	Relative Intensity
57.03319	0.9
59.01242	1.8
63.02251	1.0
65.00179	3.8
70.59766	1.6
71.01237	0.7
78.36393	0.5
82.12411	0.5
83.01244	2.0
86.19727	0.4
96.95860	0.6
107.01257	7.5
108.02021	0.7
123.04416	1.0
124.01532	1.2
125.02321	9.2
132.07314	0.5
135.00749	1.4
136.01558	0.8
146.03554	0.6
151.00261	27.2
152.00830	0.9
159.04417	11.0
160.04735	0.5
160.19479	0.6
161.02316	3.7
165.01836	3.2
167.03383	2.0
169.01259	0.9
171.70612	0.5
172.05206	1.6
174.03134	1.4
174.93341	0.7
175.03896	4.4
177.01823	2.0
183.04401	0.8
187.03909	1.3
188.04703	0.9
196.05232	0.6
200.04669	1.4
201.05458	0.8
210.06804	0.6
212.04773	0.5
214.06290	0.7
217.12245	1.5
224.04683	1.3
226.02597	0.8
227.03404	1.2
231.10144	3.2
238.06268	0.6
240.04182	1.3
243.02925	3.8
243.13783	1.2
253.05035	0.7
253.12311	0.7
254.05403	0.7
256.03656	1.1
264.04218	1.4
266.05859	0.7
267.13937	0.7
269.04510	1.5
271.13419	4.9
283.02795	1.0
283.06104	1.2
284.03116	2.4
285.03754	0.8
293.04416	0.7
293.21146	1.2
295.13486	0.7
296.03372	4.0
297.03940	1.7
297.11279	2.8
298.04816	2.4
306.05328	1.1
307.06018	0.7
308.03445	1.2
309.04056	5.3
310.04312	0.6
311.05576	7.6
322.04807	1.1
323.05542	1.7
324.06259	0.7
334.04800	2.0
335.05420	0.8
337.14676	0.7
351.05173	0.8
352.05792	1.6
367.11838	4.7
369.13370	2.2
379.11844	8.5
380.12192	1.0
423.14401	15.3
424.14761	1.5
455.17059	100.0
456.17346	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	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93745	0.4
58.00461	1.0
59.01250	15.5
67.22772	0.4
71.01255	11.6
71.37102	0.8
72.99188	0.8
73.02814	0.8
83.01263	0.9
85.02817	3.4
87.00753	100.0
88.01111	1.3
89.02318	14.3
95.01273	1.1
96.95892	1.5
101.02325	6.0
113.02322	5.4
119.03407	5.9
124.61476	0.4
131.03374	0.7
133.06447	0.4
143.03369	0.7
143.04927	0.7
143.08586	0.6
144.05777	0.8
145.06497	2.1
149.05893	0.6
149.09615	0.9
157.06520	1.6
159.08084	4.0
161.04510	1.4
161.05940	1.1
167.08560	0.5
169.06435	0.9
171.04407	1.1
171.08102	1.8
172.05208	7.2
177.09097	0.6
177.85495	0.5
179.05566	4.6
185.06065	1.4
185.09546	0.8
186.06830	0.6
187.07573	46.0
188.07951	1.9
198.06732	0.7
205.08659	8.1
211.07607	0.6
213.09134	4.8
214.09473	0.6
226.00401	0.6
229.08777	0.7
231.10187	1.9
257.08206	2.0
265.05640	4.8
349.12854	1.9
367.14120	0.7
419.13614	0.7
420.13147	0.5
437.14536	1.4
455.15607	14.5
456.15994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
58.79249	0.2
59.01247	0.4
69.31770	2.8
71.53709	0.3
82.05152	0.2
97.06430	0.4
103.38586	0.3
121.14455	0.3
279.23175	0.7
308.33780	0.3
368.28476	0.3
407.33224	2.0
453.33722	100.0
454.34070	16.6
454.40570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0976
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
50.50163	0.8
59.01256	1.7
60.87790	1.0
65.93438	1.1
69.58562	1.4
69.58963	6.6
78.95774	92.1
87.00767	1.5
92.75903	0.9
96.95934	9.9
96.96838	100.0
103.00244	2.2
108.01864	0.9
136.23122	1.2
138.97934	2.8
147.71069	0.9
156.14044	1.1
171.12747	1.0
177.01721	1.0
198.06563	1.9
199.00078	14.6
204.57387	1.0
212.08211	4.5
213.01654	10.7
225.07582	1.0
241.07298	4.8
255.08836	5.0
256.30328	1.2
330.23398	1.1
449.44284	1.1
455.09702	24.9
455.15936	2.1
456.10049	2.7
474.79193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89557	0.7
55.01750	8.4
57.03316	6.7
58.00458	2.4
59.01247	52.3
69.03317	2.1
71.01247	100.0
71.58065	1.5
72.01590	1.6
72.99165	5.4
73.02814	32.2
75.00732	2.2
76.50655	0.9
78.95781	2.9
79.95591	2.5
80.96389	1.1
81.03352	0.8
83.01254	18.0
85.02818	44.7
85.99924	1.2
87.00751	6.6
89.02310	21.1
93.03352	1.3
95.01255	6.8
96.95887	33.6
97.02817	3.4
97.65719	0.8
98.95464	1.2
99.00744	15.6
101.02316	98.1
102.02654	1.7
109.02747	0.8
111.00736	2.6
113.02322	41.6
114.02650	1.3
117.73936	0.8
119.03384	8.7
125.02300	4.9
129.01825	1.7
131.03378	0.9
135.04384	0.9
141.01826	0.9
143.03395	5.4
145.01300	1.3
155.03409	0.7
159.02898	8.7
161.04454	39.8
179.03462	1.4
179.05484	2.6
187.40535	0.8
191.05562	1.4
203.10721	1.0
205.03413	2.3
207.51787	0.8
221.06743	1.2
231.13828	0.8
251.02475	0.8
259.01251	1.8
263.07697	2.2
291.18118	57.2
292.18463	4.3
333.07971	1.1
402.56927	0.9
411.20309	1.3
413.23853	0.9
453.23376	58.0
454.23822	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	453.2128
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01755	2.2
57.03321	1.1
58.00451	1.1
59.01248	58.6
60.01573	0.5
60.39434	0.4
61.98709	0.8
69.03309	0.8
69.62082	3.3
71.01249	21.4
72.89952	0.4
72.99163	2.4
73.02817	12.6
78.95789	0.6
83.01244	5.2
83.04897	1.7
85.02818	8.7
87.00766	1.9
87.61951	0.4
89.02314	7.3
95.01262	1.8
96.95880	3.1
97.02821	0.5
97.06474	2.5
99.00736	2.2
101.02315	17.4
109.02718	0.5
111.01898	0.8
113.02332	7.4
119.03380	1.6
119.08551	1.1
131.03352	0.5
133.02861	0.5
134.03618	0.6
135.04431	0.8
137.02357	1.1
151.03896	1.1
155.03384	0.6
161.04453	0.7
187.14821	2.3
205.15958	1.3
231.13838	23.6
232.14197	1.6
249.14923	7.6
250.15248	0.7
292.04651	0.5
393.19128	8.4
394.19525	0.7
411.20184	50.0
412.20505	6.4
453.21243	100.0
454.21677	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	453.2141
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01744	2.8
57.03302	7.4
58.00443	2.1
58.99477	1.6
59.01248	95.0
61.98731	2.5
69.03320	4.1
71.01251	44.6
71.57475	2.1
71.57923	3.2
72.99168	3.9
73.02818	23.8
78.95743	1.8
83.01254	10.2
85.02820	26.4
85.99947	2.5
87.00732	2.9
89.02310	7.3
91.16759	1.6
95.01299	3.2
96.95885	38.7
97.81835	1.8
99.00757	6.6
101.02313	30.2
102.98475	9.9
103.91914	1.8
109.02748	2.2
109.03978	2.3
112.98701	2.0
113.02319	15.0
119.03356	2.6
125.02316	5.7
128.55806	2.0
133.02834	2.2
135.04430	3.3
145.06055	3.2
151.00241	2.9
161.04500	2.5
187.14789	3.2
191.05490	2.9
193.01462	3.3
195.06551	5.9
203.14359	7.7
204.14626	3.2
205.15974	1.9
216.45853	2.1
231.13881	3.9
247.13359	3.8
248.13695	4.2
249.14937	70.1
250.15298	5.2
329.53143	1.8
333.17062	3.2
368.13547	2.1
393.19174	85.6
394.19644	9.3
395.89975	2.0
400.04883	2.3
411.20197	100.0
412.20456	12.8
441.22116	2.1
453.21164	86.5
454.21448	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	453.2127
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
54.11722	0.6
55.01759	1.6
57.03330	2.8
58.00474	2.7
59.01249	100.0
60.01565	0.9
61.98714	1.1
69.03325	2.9
70.68292	2.2
71.01253	52.2
72.01592	0.7
72.99181	4.7
73.02818	25.5
75.00743	1.0
78.95770	9.4
83.01263	10.2
83.04902	1.2
85.02820	12.7
85.99995	0.7
87.00760	2.7
87.04416	3.6
89.02316	32.0
90.97250	0.7
93.03328	0.8
95.01275	2.7
96.95882	5.5
96.96854	2.4
97.02881	0.8
99.00752	5.3
101.02319	43.7
102.02673	0.9
111.97684	0.7
112.40417	0.6
113.02320	18.7
113.11288	0.6
115.03911	0.7
117.01849	1.6
119.03386	12.7
119.82840	0.7
123.04375	0.6
125.02292	1.5
131.03398	2.1
133.02794	0.9
135.04416	1.1
137.02353	0.7
138.05518	0.6
143.03409	2.8
145.01305	6.1
149.04448	2.0
155.03448	0.8
161.04459	4.3
162.70473	0.6
178.02626	1.1
179.05542	1.5
185.00867	1.3
187.11444	0.6
187.14848	0.8
207.13814	1.3
208.08414	0.6
217.12311	0.8
231.13850	47.5
232.14218	2.9
249.14917	7.8
250.15297	1.1
261.11185	1.3
261.18671	0.7
333.17081	1.4
357.09076	3.2
371.71280	0.7
393.19150	37.9
394.19437	3.0
411.20218	34.9
412.20572	5.2
453.21191	74.7
454.21545	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	453.2133
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
54.59245	0.7
55.01757	2.6
57.03329	1.7
58.00482	2.1
59.01251	91.7
60.01586	1.2
61.98682	0.6
69.03327	14.2
71.01254	47.3
71.06921	1.6
72.99198	3.1
73.02819	50.3
73.50531	0.6
75.00751	1.2
78.95775	21.6
79.69863	0.6
79.95610	0.7
83.01263	14.2
83.04885	7.5
85.02818	10.0
85.64233	0.6
87.00759	2.0
87.41772	0.8
89.02322	16.7
95.01280	2.4
95.04945	0.8
96.40011	0.7
96.95895	10.9
96.96811	4.4
97.02831	3.5
99.00748	4.8
101.02322	43.8
102.02716	0.9
107.04795	0.7
110.38077	0.6
113.02325	13.0
114.02633	0.7
119.03404	5.3
125.02349	1.5
131.03401	3.2
135.04417	1.1
141.01932	1.0
143.03395	2.5
149.04442	1.4
155.03426	1.0
161.04454	6.1
185.00845	8.9
187.14838	4.7
203.01958	0.7
205.15973	1.7
231.13861	70.8
232.14212	5.8
233.15587	1.0
249.14946	12.9
250.15373	1.3
267.12424	1.1
357.08914	8.6
393.19186	18.7
394.19498	2.2
411.20251	19.0
412.20721	2.1
453.21271	100.0
454.15311	1.1
454.21591	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	453.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39904	0.2
59.01253	0.3
69.65956	0.6
69.66381	0.6
77.49378	0.2
78.95780	0.5
99.92454	5.2
100.93249	2.5
102.88786	0.2
115.91963	100.0
116.91967	3.9
116.92754	6.0
117.92443	0.2
132.92249	1.2
135.72186	0.2
142.94380	0.5
144.71204	0.2
155.95149	0.2
172.95396	5.3
173.95485	0.4
279.23288	0.5
282.25223	0.4
283.25549	0.7
284.25742	0.8
325.71313	0.2
379.15887	0.8
384.41190	0.2
393.13483	0.2
395.15448	0.4
405.17514	0.9
435.18259	0.8
453.19562	3.0
454.19675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2029
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
59.01226	1.1
66.64295	0.9
71.59386	2.0
80.63094	1.2
80.96375	0.9
81.03323	6.1
82.68800	1.0
85.06464	1.7
92.04925	58.2
93.05258	1.9
99.04362	1.8
102.03365	3.1
106.79494	1.1
117.05449	3.2
121.02807	3.6
121.24576	1.1
128.26811	1.1
130.08694	1.1
131.03650	9.5
134.05995	18.9
136.03931	24.8
145.02824	2.1
146.02353	4.3
146.09608	4.4
147.07918	1.5
155.10716	1.3
164.07069	1.7
172.11179	3.4
173.08342	1.8
174.09013	1.3
175.09843	2.1
188.10719	18.0
190.08685	6.3
190.12292	17.6
191.12607	1.1
192.10219	10.8
218.08157	11.0
219.87134	1.0
220.09692	1.8
234.11307	70.1
235.11650	3.6
236.06870	2.4
236.09225	38.7
237.09520	3.3
280.92810	1.0
453.20245	100.0
454.20636	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	453.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07241	3.5
59.01250	100.0
61.98714	3.9
69.34031	27.8
69.34433	5.0
78.95760	5.4
96.95879	6.7
116.92807	3.3
134.04588	5.4
135.75082	3.2
141.09135	3.6
195.13786	27.3
197.02113	5.4
209.07880	3.7
213.14847	7.2
236.67497	3.3
249.05627	4.0
255.15981	18.3
268.85999	3.5
328.35388	3.8
453.21414	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	453.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34752	2.3
55.33095	2.4
58.00468	3.5
58.99461	7.6
59.01248	100.0
69.03329	5.0
69.35906	27.5
71.01253	38.8
72.99162	7.9
73.02816	13.5
79.95632	3.7
83.01257	7.7
83.04910	3.1
85.02824	12.1
87.00758	4.1
89.02314	11.2
93.03239	2.8
95.01270	6.5
96.95885	22.6
98.20538	4.9
99.00766	3.6
99.04429	12.4
101.02314	24.7
102.98466	65.5
113.02339	17.5
113.05954	10.1
119.03402	3.5
120.99511	6.3
133.02876	3.5
134.03615	3.1
135.04350	4.7
141.05476	6.5
149.05849	2.4
161.04494	4.5
161.13243	9.2
163.00630	5.1
177.01826	4.6
179.03413	4.2
187.11180	8.7
205.12251	7.8
211.13417	2.7
216.25591	2.5
231.13773	5.0
249.11357	2.9
249.14941	21.1
295.89243	2.7
375.39798	2.7
382.75409	2.9
393.19000	18.6
411.20169	23.5
453.21188	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	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61420	0.3
59.01252	0.8
62.79008	0.3
69.89730	0.3
71.01253	0.9
71.27824	0.8
73.02829	0.3
78.95779	100.0
79.64449	0.3
79.95615	0.5
86.02222	0.3
89.02338	0.7
96.95893	5.5
101.02306	0.4
110.89793	2.4
110.98418	95.8
111.98805	0.7
138.69751	0.3
145.01340	0.6
154.99945	0.3
179.05542	0.6
350.56598	0.4
373.06406	0.4
453.10544	2.1
478.23145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94170	0.1
58.85535	0.1
59.01236	0.1
62.96295	0.2
63.45970	0.2
70.63703	0.2
70.64056	0.4
73.44383	0.1
78.95775	19.9
92.62710	0.1
100.20794	0.1
111.80871	0.2
113.01586	0.2
122.00018	0.6
122.98441	0.2
134.98482	0.2
140.01083	5.2
152.99513	1.6
154.70586	0.2
166.02629	0.2
196.03737	10.1
197.04062	0.3
214.04797	2.1
255.23264	100.0
256.23608	9.2
256.26358	0.4
309.14011	0.2
452.27805	25.3
453.28171	3.0
474.11377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23278	0.2
55.61998	0.2
58.82596	0.2
70.45788	0.2
70.46140	0.5
73.58849	0.2
78.95779	100.0
81.31985	0.2
96.96841	8.6
97.26381	0.2
134.02426	0.2
140.01100	0.4
150.97885	0.2
152.99495	16.7
153.99867	0.4
171.00555	16.6
199.91464	0.2
214.04797	0.2
255.23225	0.3
260.68878	0.2
269.68164	0.2
274.16351	0.2
354.09790	0.4
378.24225	1.6
393.15234	0.2
393.19690	1.2
452.27817	47.2
453.28116	5.2
453.34225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
63.22979	0.3
65.48106	0.3
70.19861	0.8
70.20258	0.7
78.95773	100.0
96.96838	8.2
98.19820	0.4
102.90302	0.3
105.76478	0.3
120.89670	0.4
137.27724	0.4
152.99478	18.4
158.84598	0.4
171.00546	19.8
214.04778	0.6
255.23199	1.2
257.17538	1.2
332.48077	0.4
360.22995	0.5
362.78400	0.4
378.24078	2.3
452.27789	57.4
453.27948	6.5
453.33188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	0.4
59.01260	0.5
64.58721	0.1
71.01248	0.2
71.35509	0.2
71.79905	0.1
72.04424	0.1
80.04927	0.3
81.03332	9.8
82.03668	0.2
83.04897	27.0
84.05223	0.6
85.46133	0.1
91.82973	0.1
95.04902	0.1
96.95884	0.5
100.07567	0.3
101.02354	0.2
107.06057	0.9
108.04430	1.1
110.06026	0.1
121.02840	0.1
125.07098	3.3
126.05505	0.5
134.15688	0.1
140.10773	0.1
143.08157	1.7
183.15060	0.1
191.15511	0.1
199.18111	0.1
203.03143	0.1
207.14973	3.6
208.13359	0.2
208.15189	0.1
222.15929	0.1
224.15381	0.2
224.17636	5.1
225.16040	13.5
226.16393	0.6
242.18736	1.9
243.19099	0.1
250.15605	0.3
268.16599	0.4
290.22275	0.3
291.20630	0.1
306.21939	0.2
307.23825	0.3
309.21756	0.5
324.22839	0.2
324.26535	2.1
325.26810	0.2
329.00336	0.1
333.22955	4.8
334.23251	0.4
339.27646	0.3
341.29135	0.2
351.24094	1.3
352.24530	0.1
367.27054	1.2
383.30774	0.1
385.28198	0.4
406.30573	0.1
433.31824	6.3
434.32098	0.7
451.32880	100.0
452.33203	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	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01585	0.7
62.81746	0.7
62.96278	1.7
70.98147	0.8
70.98479	1.7
75.33221	0.7
78.95782	4.1
80.85954	0.7
80.97340	1.6
81.03328	4.1
82.97782	0.7
83.04891	13.9
87.51842	0.6
89.05129	0.7
96.95891	0.8
139.76271	0.6
149.00003	1.0
158.05951	0.7
164.59331	0.7
166.91039	2.2
194.95515	1.1
210.89955	1.2
307.23822	0.8
314.88535	0.7
357.17371	1.0
368.88882	0.8
387.18564	1.8
391.29639	39.8
392.30145	4.6
451.15561	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	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33327	0.3
58.88714	0.3
70.27119	1.3
76.24951	0.3
78.95774	11.0
85.90565	0.3
92.81728	0.3
98.19875	0.5
104.97363	0.5
110.98420	8.8
117.41851	0.3
136.99986	0.8
167.01057	9.8
185.02145	2.9
232.59157	0.3
265.25360	0.5
283.26419	100.0
284.26782	9.4
284.58844	0.4
451.28320	16.2
452.28665	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36800	0.3
53.43883	0.3
59.01250	100.0
60.01585	0.9
65.63052	0.3
71.56448	0.4
177.12733	0.6
183.13829	3.6
195.13838	66.0
196.14168	4.0
201.92288	0.4
209.63316	0.3
213.14906	23.9
214.15207	1.3
255.15991	6.4
256.16321	0.8
281.67648	0.3
283.25610	0.5
382.42673	0.4
391.28461	1.2
409.29532	1.1
445.05222	0.4
451.30835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01582	0.9
62.68367	0.7
64.98546	0.8
69.40427	7.4
78.95765	0.9
81.03326	3.7
82.64758	0.9
83.04894	11.7
96.95893	5.3
98.19714	1.9
98.95438	1.2
103.91922	0.9
118.92609	1.0
126.09323	0.8
152.91612	0.9
166.14468	1.0
166.90974	2.0
210.89940	1.3
287.31912	1.0
368.89017	1.7
379.54437	1.1
391.29620	35.6
392.30038	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63602	0.4
69.97442	0.5
70.75629	0.5
71.07374	1.1
78.95771	11.6
94.92621	0.4
105.74630	0.5
110.98416	9.5
139.77058	0.4
166.99649	0.7
167.01060	11.0
171.49973	0.4
185.02130	3.4
246.58466	0.4
283.26413	100.0
284.26736	10.1
380.42776	0.5
444.06158	0.5
451.28290	14.9
452.28506	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	451.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61862	1.5
55.01751	3.1
57.03325	3.0
58.00469	2.5
59.01249	100.0
71.01250	68.1
71.57431	2.2
72.99170	6.5
73.02822	26.9
75.35313	1.8
83.01254	6.1
85.02829	20.3
87.00749	6.0
89.02316	46.7
95.01254	5.8
96.95879	9.5
99.00733	4.9
99.04424	1.8
101.02322	49.6
102.02663	1.9
103.03918	2.9
113.02322	25.5
115.00254	2.1
119.03391	18.9
131.03397	3.7
135.04396	2.3
143.03418	4.3
144.06030	1.7
149.04407	2.4
159.02963	2.4
160.03958	1.9
161.04460	13.3
179.05563	12.8
229.14471	2.7
247.15540	4.7
253.14268	2.0
289.20139	34.6
319.17807	9.9
369.15390	2.8
375.10779	2.3
431.90070	2.1
451.25900	85.8
451.67242	2.2
452.26404	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	451.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16302	1.0
56.43330	1.2
57.03296	1.7
57.20058	1.0
59.01246	43.7
69.03342	1.7
69.57542	2.8
69.57961	4.9
71.01245	6.2
72.99171	1.5
78.95782	2.8
79.95603	10.2
80.96394	1.8
83.01215	1.0
83.04935	1.1
85.02824	2.3
85.25053	1.1
87.00739	3.6
89.02307	4.0
93.03345	1.4
94.96049	1.2
96.95882	30.5
101.02291	3.5
106.97961	1.8
113.02331	5.8
119.03372	2.4
155.10634	2.3
161.04457	2.0
165.38130	1.1
181.12169	1.9
199.13324	2.8
211.13292	3.3
229.14389	100.0
230.14696	5.8
422.70697	1.2
451.21335	2.3
452.23175	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	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00945	2.0
59.01247	41.5
71.01250	8.9
71.58034	1.6
73.02833	3.4
75.00751	3.0
79.95621	4.0
83.04901	1.4
85.02833	4.4
87.00748	4.3
89.02328	5.2
89.06087	1.6
89.85527	1.1
93.03339	5.1
93.56547	1.2
96.95884	42.6
98.95480	1.4
101.02325	5.2
113.02308	5.2
123.00755	1.8
125.09599	3.0
127.11198	2.4
135.04460	1.3
137.02304	1.9
148.90875	1.2
150.03133	8.5
153.05518	1.3
161.04420	1.4
165.05469	8.3
166.99757	1.5
168.04117	1.2
171.10237	1.6
173.04527	1.9
178.91560	1.0
180.04102	1.3
181.27335	1.3
182.02112	3.6
187.77133	1.2
191.05550	3.6
195.06564	4.5
196.48152	1.1
197.04430	7.3
209.15393	2.9
211.13321	2.1
215.12553	1.3
223.06161	1.4
227.16454	3.4
229.14407	100.0
230.14745	6.6
231.21591	1.3
253.14400	3.6
270.14209	1.7
271.15479	6.6
314.09918	1.4
345.72278	1.4
347.29071	1.3
355.05151	1.6
391.23569	1.5
393.11874	4.8
451.16107	2.0
451.21487	15.9
452.21793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23936	0.3
57.03325	0.4
59.01247	8.2
61.98693	0.4
63.57698	0.4
65.33111	0.3
68.41316	0.4
69.47598	0.9
69.48013	2.3
71.01255	1.5
72.84962	0.4
72.99187	1.8
73.02824	0.5
75.00743	100.0
76.01096	1.3
83.01222	0.3
85.02836	1.1
86.19959	0.3
87.00761	0.4
87.35567	0.3
88.94242	0.3
89.02346	0.9
89.51287	0.3
93.03351	0.8
96.95891	0.5
101.02321	0.8
111.81906	0.3
120.99545	1.3
125.13719	0.4
148.92896	0.3
178.62427	0.4
180.11324	0.4
183.13832	1.3
184.14122	0.5
187.74725	0.4
195.13837	1.4
197.14442	0.5
211.13368	1.4
213.14912	8.1
214.15245	5.5
215.15477	4.6
229.14413	12.7
230.14758	0.8
249.75818	0.4
252.15973	0.4
253.09193	0.7
253.14427	0.7
254.09587	0.6
255.09727	1.4
256.09924	0.4
265.66489	0.4
271.15524	0.6
285.53400	0.3
289.16580	1.1
331.17813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75314	1.6
53.08392	1.2
53.15871	1.3
55.24988	1.2
59.01256	7.4
59.15410	1.2
61.58425	1.3
67.26295	1.6
70.14185	1.2
72.15442	1.2
78.95779	6.6
90.96994	1.4
93.03339	1.2
95.04895	6.1
96.95909	1.8
98.19769	4.3
121.10101	5.6
158.99696	2.2
171.10120	1.6
174.99117	3.6
196.55679	1.2
226.01683	1.3
239.02272	1.8
253.21753	9.7
254.22063	13.6
265.03973	2.9
269.07077	15.0
275.19995	1.5
279.05505	1.7
283.26514	1.4
287.89594	1.4
288.63028	1.4
293.07068	1.5
354.09894	5.2
373.17426	1.8
391.18021	100.0
392.18277	10.2
409.85165	1.5
442.36301	1.4
451.10861	2.1
451.26614	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58647	0.4
59.01251	2.7
66.71159	0.3
69.25494	3.0
69.25922	1.2
71.01254	0.6
78.14426	0.4
78.95776	1.0
93.77836	0.4
96.95895	0.9
98.20663	0.6
104.85281	0.4
132.98096	1.0
148.05142	0.4
152.99467	1.5
164.08336	0.9
166.90939	0.4
170.36812	0.4
174.99129	4.0
177.09158	1.2
190.09921	1.4
192.11478	0.8
204.11488	0.7
205.12279	1.5
217.53705	0.4
218.09419	0.6
220.14633	12.3
221.15398	7.8
236.10490	4.7
265.03989	0.6
277.03833	0.6
280.06360	1.4
291.05536	0.7
292.06317	0.9
293.07169	0.8
293.17444	0.5
295.12473	0.6
304.06140	2.1
306.07761	1.2
307.04865	0.5
309.09894	1.0
312.02832	0.7
319.04965	2.1
321.10132	2.5
322.07175	0.5
334.07330	100.0
335.07797	9.2
337.13293	7.2
338.13705	0.6
351.11215	6.4
352.11612	0.9
356.34875	0.6
381.12271	2.1
391.14352	14.2
392.14679	1.6
394.00183	0.6
451.16541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1972
Annotation	Lemmonin A
Peak:m/z	Relative Intensity
54.34323	1.0
55.01758	1.2
57.03317	2.4
59.01250	72.5
69.03306	1.3
69.78337	4.9
71.01250	16.7
71.39262	1.1
72.99184	2.2
73.02815	8.3
78.78078	1.0
78.95793	1.3
81.03333	3.2
83.01241	3.8
83.04901	4.8
85.02831	5.0
87.00751	1.2
89.02313	3.6
93.03319	4.9
94.03674	1.2
95.01248	1.3
95.04891	1.9
96.95852	1.8
97.06457	2.6
98.19863	1.6
99.00759	1.9
101.02316	11.4
109.06478	1.2
111.04350	1.5
112.71060	1.2
113.02326	4.2
119.03402	1.4
119.04913	1.6
120.05650	1.0
120.99565	1.4
121.06481	2.1
121.10089	1.1
123.04398	8.8
123.08041	1.4
133.06500	3.6
135.04347	1.3
135.08052	10.3
145.10039	1.1
147.11670	2.1
149.09621	1.9
152.04651	1.2
161.04478	2.0
161.05907	1.0
173.04439	2.1
185.13292	3.5
193.06044	1.1
203.05534	1.3
203.14331	31.6
204.14655	2.1
218.26393	1.0
229.12195	5.1
247.13365	100.0
248.13795	6.4
248.16017	0.9
339.05057	1.0
391.17618	4.5
409.18683	7.3
451.19720	79.0
452.20004	8.7
462.42609	1.3
467.96741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87823	2.2
57.03323	2.2
57.31487	2.1
59.01250	47.9
63.37205	2.0
69.46103	15.9
70.49419	2.0
71.01256	16.8
73.02821	5.8
75.00748	72.1
79.23438	1.9
79.95622	5.3
85.02826	5.9
85.83993	2.1
89.02310	14.6
91.01795	2.7
96.95897	34.2
99.00740	3.2
101.02321	12.1
101.87696	2.1
108.02077	9.6
113.02354	6.4
119.03394	4.1
123.04398	17.0
137.02359	13.0
149.04419	5.1
152.01068	29.0
153.01442	2.3
159.58179	2.3
161.04405	5.0
165.01849	100.0
166.02464	2.2
167.03413	86.1
168.03883	2.7
175.71698	2.4
179.03416	16.3
180.04222	58.2
181.04871	7.1
191.05540	4.5
194.05867	3.1
195.06570	75.9
210.05269	13.9
225.04082	48.2
225.07616	58.7
226.08003	3.8
230.67325	2.3
286.04144	2.4
393.12128	11.2
409.17358	4.3
427.66443	2.6
445.03366	2.8
451.12851	2.3
451.22043	11.2
451.27847	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.4
57.03313	3.8
58.00482	2.7
59.01249	68.3
71.01255	50.0
71.57961	2.0
71.62655	2.2
73.02813	16.9
75.00741	63.1
83.01253	5.3
84.31044	1.7
85.02811	11.8
86.87536	2.0
87.00767	3.4
89.02316	36.6
91.01781	3.1
92.47268	1.9
95.01266	3.1
96.95884	21.5
99.00755	3.4
99.04350	2.5
101.02312	31.9
103.03873	3.6
108.02058	15.8
113.02332	22.9
119.03414	15.9
123.04395	19.7
125.02284	2.6
129.09123	5.6
137.02356	9.8
139.58589	1.9
149.04497	2.4
151.00232	2.7
151.03905	3.1
152.01056	34.0
161.04469	8.4
162.03088	2.3
165.01836	100.0
166.02498	9.0
167.03400	93.5
168.03737	4.4
176.35899	2.1
177.01825	3.6
179.03458	19.4
179.05544	9.1
180.04196	72.1
181.04913	13.5
183.04390	2.4
194.05733	7.2
195.02898	3.6
195.04765	4.5
195.06567	88.8
196.06924	4.9
196.66951	2.0
200.59497	2.2
208.74907	2.0
210.05222	20.0
211.05971	5.6
211.13316	2.9
215.69014	1.9
225.04070	37.2
225.07605	66.2
226.04312	2.2
229.14479	13.4
243.06619	3.4
271.06195	12.0
271.15396	3.2
286.08551	8.3
289.20172	21.1
301.10855	6.7
305.04645	2.2
307.43948	2.4
330.07523	5.1
345.09750	44.7
346.10135	2.6
369.15491	6.5
393.11945	34.3
394.12137	3.3
403.10419	4.7
451.12189	7.3
451.25745	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43164	1.0
54.54454	1.1
59.01236	4.3
71.57893	1.3
78.95775	5.8
90.48309	1.1
110.98405	3.7
126.88245	0.9
152.99571	1.1
167.01035	2.7
182.34302	0.9
185.02151	2.3
281.24841	100.0
282.25113	8.1
449.26639	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	449.2882
Annotation	Chaksine
Peak:m/z	Relative Intensity
59.01244	3.5
64.28899	0.2
69.44993	2.1
74.01903	0.2
96.95896	1.9
98.19758	0.2
165.12758	0.3
177.12727	0.6
178.67342	0.2
183.13824	16.8
184.14180	1.0
195.13840	15.1
196.14182	1.1
199.67897	0.3
211.13345	0.7
213.14900	100.0
214.13191	0.3
214.15237	5.5
223.13081	2.1
233.11702	0.4
235.13086	3.4
237.11064	0.6
253.12975	0.2
267.12164	1.7
279.12155	1.7
318.61398	0.2
419.26437	0.6
431.26532	0.3
449.28690	24.8
450.29004	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	450.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20836	0.2
59.01231	0.7
66.88506	0.2
69.40189	0.5
69.40597	1.1
78.95773	6.0
85.67523	0.2
98.19801	0.3
126.46170	0.2
140.01060	2.0
140.28299	0.2
152.99490	0.7
164.80431	0.2
174.99207	0.3
196.03662	1.2
208.62318	0.2
213.14865	0.4
214.04788	2.7
245.95107	0.2
253.21684	100.0
254.22028	8.1
254.24130	0.2
370.54047	0.2
373.17126	0.5
391.17929	0.3
450.26199	7.9
451.26459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
62.08885	0.3
69.62782	2.0
78.95779	4.4
80.07077	0.2
94.41073	0.2
97.85490	0.2
103.84570	0.2
110.13728	0.3
110.98406	4.1
149.23734	0.3
167.01045	2.0
185.02132	3.3
197.23630	0.3
225.97878	0.3
264.49197	0.2
278.62122	0.3
281.24838	100.0
282.25195	8.8
355.84872	0.2
433.26050	0.3
449.20886	0.5
449.26758	5.8
450.26941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37487	0.3
66.49145	0.2
71.07461	0.4
71.07793	0.4
74.65037	0.2
78.95774	6.2
80.11471	0.3
96.27500	0.3
101.93858	0.2
104.47267	0.2
104.97359	0.5
106.46734	0.3
110.98411	5.3
115.43087	0.3
152.99554	0.4
167.01068	4.7
185.02132	3.1
281.24847	100.0
282.25211	10.0
449.26715	11.3
450.27072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	0.8
68.03628	0.3
70.21992	0.3
71.01254	3.4
78.95786	0.9
79.95615	0.7
85.02829	0.7
87.00764	0.5
89.02319	4.3
96.95882	36.6
96.96892	0.9
98.19682	0.6
101.02329	1.3
105.56244	0.3
113.02332	1.9
119.03388	1.5
143.03429	0.3
161.04477	0.9
195.13873	0.7
213.15015	1.2
218.18617	0.3
224.87944	0.4
237.15085	0.4
357.19086	3.7
357.22415	0.3
449.18167	0.8
449.28796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14868	0.5
56.48571	0.4
57.03310	0.7
58.00464	0.7
59.01247	100.0
60.01593	1.2
61.08649	0.5
63.26517	0.4
69.48293	3.7
71.01249	20.8
72.01620	0.5
72.99180	1.6
73.02821	1.9
79.95605	1.3
83.01242	0.9
84.84805	0.4
85.02802	3.2
87.00734	2.3
89.02310	26.0
93.03347	1.5
94.12415	0.5
95.01268	1.0
96.95880	15.4
98.95434	0.7
99.00748	0.6
101.02319	10.9
102.02655	0.5
113.02317	10.0
115.16779	0.4
119.03381	13.4
125.02363	0.7
131.03392	1.2
143.03366	3.5
149.04451	1.3
153.09137	3.6
161.04445	5.0
173.04459	1.1
179.05522	10.6
183.10182	0.6
185.11786	0.9
209.11671	0.6
209.15408	3.6
227.12807	0.9
234.27936	0.4
243.12347	2.6
244.12653	2.4
245.07820	0.5
245.13115	1.8
275.09216	0.5
278.08362	0.5
287.04819	0.6
287.14951	0.6
337.03732	0.7
355.04968	1.7
384.86127	0.5
388.17770	0.5
389.21851	17.1
390.22119	2.3
449.14432	0.7
449.19531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11652	0.3
55.01767	0.4
57.03321	0.4
58.00464	0.4
59.01252	48.0
60.01583	0.6
60.99184	0.8
67.01762	2.3
69.03326	0.7
70.35577	0.9
70.35928	0.5
71.01252	4.8
72.99183	1.2
73.02832	1.3
81.03357	0.6
83.01257	0.4
85.02828	1.1
87.00757	3.9
89.02309	3.8
90.29893	0.3
93.03341	15.0
94.03629	0.6
96.95911	2.0
97.02851	0.3
99.00765	0.6
99.04395	0.5
101.02324	4.3
105.03379	0.3
109.02874	0.3
111.00740	0.4
111.04401	2.3
113.02324	2.0
117.09342	0.3
119.03379	1.3
125.02348	0.3
129.01840	0.4
133.02803	0.7
134.03641	1.7
135.04411	1.3
143.03397	0.4
155.03363	0.6
161.04474	2.4
162.03093	0.6
173.03073	0.6
173.04485	9.5
174.04839	0.5
177.12735	0.4
179.05511	1.0
183.13835	13.0
184.14107	0.4
191.05545	2.2
195.13855	12.1
196.14145	0.7
211.13338	0.4
213.14911	100.0
214.15269	6.9
231.10210	0.8
241.27565	0.3
253.09290	17.9
254.09601	0.9
275.09314	1.5
449.14557	5.6
449.21262	0.4
449.23663	0.6
450.14951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03396	0.3
52.50252	0.2
55.01749	0.4
59.01250	7.2
60.01593	0.3
61.80442	0.2
67.01749	0.4
69.24743	1.0
69.25175	1.3
71.01250	3.7
73.02823	0.9
76.86957	0.2
85.02818	0.7
87.00741	0.9
89.02315	3.9
93.03320	2.5
94.37137	0.2
95.01260	0.3
98.19698	0.4
101.02322	4.5
101.21550	0.2
111.00704	0.2
111.04412	0.4
113.02327	1.7
119.03348	1.2
125.02331	0.2
125.61554	0.2
131.03349	0.3
143.03371	0.4
161.04437	2.0
173.04492	1.2
179.05525	0.9
183.13818	12.6
184.14137	0.7
191.05565	0.5
195.13837	11.6
196.14145	0.8
211.13300	0.3
213.14894	100.0
214.15237	5.8
235.08180	0.3
237.70485	0.3
253.09248	20.6
254.09619	0.8
275.09201	0.3
280.55704	0.3
281.24854	0.9
449.14499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
62.96256	0.2
64.58093	0.1
69.04404	0.1
70.80867	0.3
70.81200	0.3
77.71027	0.1
78.95770	50.6
82.43483	0.2
96.95861	0.4
96.96838	6.2
112.52309	0.2
114.79485	0.2
116.92731	0.2
121.02829	0.2
128.12061	0.2
150.97911	1.7
152.99480	100.0
153.99806	1.4
154.89491	0.2
154.99936	0.2
171.00545	4.7
187.26422	0.2
195.13799	0.2
295.22864	0.5
355.83435	0.2
393.71820	0.2
449.23071	11.8
450.23453	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37438	1.1
54.63396	1.1
55.01732	1.2
59.01249	70.5
59.98459	1.2
71.01254	28.7
71.57603	1.9
73.02819	15.0
80.66000	1.1
83.01239	4.1
85.02818	7.9
85.87873	1.4
87.00732	3.5
87.60761	1.3
89.02319	12.3
95.01266	1.5
96.95894	5.9
97.06471	1.6
101.02329	19.6
113.02327	8.6
119.03381	4.5
119.48221	1.2
125.02303	1.7
125.05958	3.1
128.03433	2.4
143.03360	2.1
143.04463	1.3
143.07118	1.8
149.14963	1.5
161.04446	5.4
179.05550	2.4
197.98096	1.2
209.11586	2.9
227.12755	7.9
246.93213	1.4
287.14020	2.1
299.47617	1.4
371.17053	1.7
389.18155	13.0
403.19635	16.6
404.20190	1.8
407.19211	8.2
426.14084	1.4
431.19040	1.7
449.20261	100.0
450.20529	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59294	0.3
57.03329	0.5
59.01248	51.4
60.01593	0.4
63.96703	0.3
69.50140	2.5
69.72927	0.3
71.01251	2.3
73.02825	1.2
79.95624	0.3
81.03378	0.4
83.01263	0.5
83.04905	0.9
85.02835	1.4
89.02277	1.6
93.03338	0.5
95.01230	0.4
96.95884	1.2
99.04427	1.1
101.02325	1.5
109.02847	0.7
113.02316	1.9
119.03384	0.4
143.03421	0.3
153.01823	0.8
161.04428	0.3
165.12778	1.0
183.13792	0.4
187.07562	0.5
191.05522	2.2
207.13800	2.3
209.11752	4.8
225.14819	5.0
226.15251	0.3
227.12828	25.5
228.13216	1.0
251.12958	1.9
269.13925	7.8
270.14218	0.5
287.14981	100.0
288.15305	6.8
293.14151	0.5
311.15186	0.9
329.16040	2.8
333.22797	0.5
389.17990	1.5
394.06177	0.4
449.10818	0.5
449.20261	5.2
449.31128	3.3
450.20193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01592	0.7
60.99179	0.4
67.01759	1.1
69.03333	0.5
69.78748	1.4
69.79158	0.7
71.00934	0.3
71.01251	1.8
73.02849	0.6
78.95818	0.3
85.02840	0.8
87.00768	1.5
93.03342	6.2
96.95890	2.9
98.20455	0.4
101.02348	1.1
108.47167	0.3
111.04412	0.6
113.09662	1.2
115.91974	1.1
116.08115	0.4
116.37382	0.3
116.92744	3.5
125.02329	0.3
133.02861	0.5
161.04417	0.4
163.95444	0.3
167.10719	0.4
168.00551	0.4
173.04453	4.8
185.11763	9.1
186.12088	0.5
191.05592	1.3
193.55684	0.4
231.10315	0.8
236.39131	0.3
250.61124	0.4
261.72168	0.3
271.17447	0.3
275.09390	1.0
347.17093	2.1
389.17886	2.2
449.14874	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1857
Annotation	Terpentedienyl diphosphate
Peak:m/z	Relative Intensity
59.01250	26.4
69.85116	3.3
71.01235	0.6
78.95774	49.1
80.02545	1.0
80.74999	0.6
93.03334	6.0
95.04913	0.8
96.95904	0.9
96.96842	3.4
98.19898	0.7
101.02319	0.8
106.04116	0.8
107.68879	0.7
114.98774	0.7
118.08161	0.7
132.98111	1.0
135.04446	0.6
141.09019	0.6
148.08847	1.3
152.99487	17.4
158.84576	2.0
163.11221	0.8
165.12772	19.0
166.13181	0.9
171.00543	8.6
174.99181	2.9
177.12651	0.7
186.95767	0.7
189.97800	1.0
191.05623	0.9
191.14427	0.6
223.99846	1.8
229.00179	1.8
235.99902	1.5
247.20615	9.2
248.20943	1.5
250.01448	1.1
258.04211	1.3
263.02396	4.6
264.02875	0.8
267.99054	1.8
273.18521	4.4
277.03973	1.7
279.09009	1.0
291.05588	1.3
291.19644	15.2
292.06299	0.6
292.20023	1.3
319.08664	1.0
320.09332	11.0
321.10046	3.2
352.08356	15.7
353.08545	1.0
376.22736	1.0
389.16449	46.2
390.16663	4.7
405.19904	1.3
449.18549	100.0
450.18930	14.9
450.26236	27.1
450.32693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01249	9.5
59.72205	0.7
62.37221	0.8
62.96278	28.3
67.04399	0.7
71.58388	1.4
78.95772	66.5
80.97335	34.9
96.95885	2.8
121.91705	0.8
149.00011	16.1
152.99480	1.3
153.99844	0.9
179.01033	1.8
192.95804	2.9
205.15927	9.1
208.93073	1.0
217.00246	1.7
242.98239	5.3
250.05110	0.8
285.12534	2.4
355.16769	19.9
356.17038	1.1
356.78659	0.8
366.91516	0.9
385.17868	21.9
386.18182	2.8
449.14969	100.0
450.15381	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	449.1495
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.54292	0.7
57.21375	0.7
57.31907	0.7
57.71281	0.7
59.01250	10.9
62.96277	24.9
67.81441	0.8
69.55363	5.0
69.68658	0.7
78.95773	66.2
80.97338	32.6
85.02781	0.8
92.31153	0.8
96.95890	2.5
105.14133	0.7
121.02811	1.2
142.95290	0.8
148.99997	18.0
152.99477	9.7
179.01093	1.9
186.95544	1.0
192.95750	3.6
202.98708	1.3
205.15942	9.1
206.16206	0.9
208.92918	1.6
217.00328	2.0
230.17235	0.8
241.67935	0.8
242.98219	5.0
281.24637	1.6
285.12683	1.9
355.16733	18.2
356.17221	1.4
366.91898	0.9
385.17798	23.8
386.18033	2.1
449.14923	100.0
450.15262	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27617	0.4
52.15467	0.3
52.69616	0.4
57.03318	0.4
59.01247	83.9
60.01584	8.2
61.01675	1.6
61.98699	100.0
63.77348	0.4
69.25498	0.5
69.25898	4.1
71.01247	6.9
72.01592	0.9
73.02814	1.7
82.57489	0.3
83.01260	0.4
85.02828	1.8
87.00750	0.5
89.02312	6.8
90.02653	1.0
94.60408	0.4
95.01268	0.5
96.95892	1.5
99.00751	0.5
101.02320	4.2
102.02656	0.6
113.02319	3.0
114.02615	0.6
119.03361	2.9
125.02320	1.5
125.05983	0.4
143.03429	0.5
152.08240	0.4
153.08995	1.5
154.09409	1.2
161.04483	2.5
162.04811	0.6
163.04823	0.5
179.05475	1.2
190.13046	0.5
193.62732	0.4
199.97742	0.4
216.02081	0.4
224.13635	0.4
225.13962	0.5
259.06073	0.7
269.04370	1.0
285.03851	1.7
286.04163	1.6
386.18973	0.5
388.20251	2.9
414.04703	0.4
448.09210	1.7
449.10504	0.7
449.20187	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47363	0.3
59.01250	0.4
63.09670	0.3
70.87940	0.6
78.95781	10.1
94.98949	0.3
104.97321	0.5
110.98417	7.8
118.25917	0.3
167.01060	8.9
168.01355	0.4
171.14201	0.3
176.76285	0.3
185.02090	3.4
194.85005	0.4
197.95757	0.3
247.15163	0.4
279.23288	100.0
280.23642	9.3
290.82132	0.3
447.25171	13.9
448.25375	1.5
461.66245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
69.33051	1.8
69.33474	0.7
78.95777	4.6
80.72675	0.2
86.15944	0.2
110.98423	4.4
127.03014	0.2
134.76057	0.2
152.99510	0.5
167.01045	2.6
185.02141	4.0
249.89320	0.2
261.22159	0.4
279.23285	100.0
280.23633	9.8
348.11829	0.2
447.25177	6.2
448.25333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74585	0.3
57.03337	0.4
58.00464	0.4
59.01252	100.0
60.01593	1.0
70.97671	0.9
71.01255	9.0
71.04852	0.3
72.99185	0.6
73.02823	1.3
80.25056	0.3
83.01260	0.7
85.02824	2.0
87.00761	0.5
89.02316	10.2
95.01289	0.6
96.95885	2.2
99.00764	0.5
101.02320	5.5
113.02331	4.3
119.03392	4.6
125.02372	0.5
131.03410	0.6
143.03386	1.7
149.04478	0.6
154.55449	0.3
159.02914	0.3
160.54189	0.3
161.04477	3.6
179.05528	6.6
179.06961	0.6
189.12848	0.5
198.04942	0.3
207.13889	0.5
211.09718	0.5
247.15590	1.2
263.60864	0.3
265.22391	0.3
315.53818	0.3
387.16241	0.4
387.20392	1.9
447.18723	1.0
447.23770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01754	2.4
57.03328	1.9
58.00459	0.9
59.01248	59.2
60.01610	0.4
69.03322	0.7
69.87835	2.0
71.01249	27.4
72.99184	1.6
73.02814	17.3
73.03236	0.6
75.00758	0.6
75.51611	0.3
83.01251	6.1
83.04910	0.5
85.02821	10.9
85.06448	4.0
86.03142	0.3
87.00751	3.7
89.02311	9.3
95.01266	2.2
96.95887	1.3
97.02827	0.8
97.06405	0.8
99.00749	4.5
101.02316	20.9
113.02325	10.0
113.09583	1.0
115.04123	0.3
119.03385	3.4
125.02341	1.0
131.03455	0.6
139.20192	0.3
143.03423	1.0
145.11919	0.3
153.12717	0.5
155.14316	12.7
156.14604	0.6
161.04488	3.4
179.05562	0.5
181.12289	1.3
181.15877	4.3
191.05240	0.4
193.15942	0.4
199.13335	22.8
200.13655	1.0
225.14908	6.1
225.78227	0.4
245.17670	0.4
253.14513	0.5
284.03122	0.5
285.04135	0.5
294.57715	0.4
361.22113	0.5
369.18970	0.4
375.16470	0.6
387.20206	13.9
388.20554	1.3
405.21262	23.6
406.21899	2.5
429.21271	0.6
447.22302	100.0
448.22647	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53475	0.3
55.01751	0.7
57.03358	0.4
59.01250	100.0
60.01608	0.5
61.97903	0.3
66.52636	0.3
68.47861	0.3
69.03327	0.4
70.91171	0.6
70.91499	0.6
71.01250	7.8
72.99182	0.7
73.02818	3.5
75.00764	0.7
80.75000	0.3
83.01259	1.7
85.02827	2.7
87.00769	1.2
89.02331	2.6
95.01273	0.6
96.95911	1.7
99.00771	1.0
101.02326	6.6
112.98769	0.5
113.02334	3.3
119.03379	0.7
123.04400	0.5
125.02372	0.4
133.02907	0.8
135.04355	0.5
153.05586	0.7
155.14388	0.7
161.04391	2.1
175.03975	0.9
180.53061	0.3
181.15964	0.5
183.13878	0.5
199.13326	1.8
210.57690	0.4
211.13361	6.0
225.14961	1.4
253.09392	0.9
284.03314	1.4
285.03979	3.1
315.18008	0.4
327.18301	1.5
328.18527	0.5
345.19211	6.0
346.19540	0.5
387.20166	4.8
387.24060	0.4
405.21368	2.0
406.21744	0.5
447.09491	1.4
447.22238	8.7
448.22232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94662	0.3
59.01251	100.0
60.01592	0.7
69.61341	2.1
71.01254	1.9
73.02814	0.7
83.01268	0.5
85.02840	1.3
87.00801	0.4
89.02317	0.5
96.95898	3.6
101.02350	1.2
113.02350	0.9
120.99567	0.3
132.43942	0.3
151.00345	0.6
161.04456	0.7
191.05540	0.4
211.13345	2.5
218.90945	0.3
239.07169	0.4
251.07016	0.3
275.06912	0.4
275.81012	0.4
277.05161	0.6
284.03284	0.5
285.04007	1.8
285.09259	0.7
287.07184	0.7
313.08798	0.7
315.06522	0.3
315.18176	0.8
317.08194	0.7
341.08130	2.4
342.08710	0.5
343.06088	0.5
345.19382	0.3
357.07626	0.6
379.80344	0.3
384.07062	0.3
385.07181	17.3
386.07535	1.9
403.08395	0.4
429.06128	11.6
430.06616	1.3
447.09100	0.6
447.21973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60999	0.6
55.01755	0.8
59.01250	100.0
60.01569	1.1
62.91870	0.6
69.42064	2.2
69.42484	4.0
71.01250	11.0
72.99202	0.9
73.02818	3.5
75.00767	2.5
79.95641	1.4
83.01268	1.7
85.02834	2.9
87.00731	1.2
89.02303	7.5
95.01281	0.9
96.95891	22.2
96.96501	1.4
98.95483	1.7
99.00762	1.6
101.02315	6.4
110.60915	0.6
113.02296	5.5
119.03384	2.0
124.93954	0.7
137.02272	0.7
143.03421	0.8
159.02957	1.1
161.04457	11.4
164.00974	0.6
179.05583	1.0
211.13268	0.9
243.12303	1.0
285.04092	1.6
287.14987	1.1
352.71176	0.7
387.20255	6.5
405.21274	0.8
414.03470	0.8
447.09219	1.6
447.21396	1.4
448.09491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
55.02192	0.7
57.03318	1.9
58.00459	3.0
59.01247	96.8
60.01595	0.7
69.03332	1.0
70.56586	2.5
71.01251	64.5
71.28259	0.6
72.01566	0.9
72.99174	5.7
73.02813	17.6
73.81806	0.6
75.00752	1.2
78.39950	0.6
83.01244	3.6
83.27229	0.6
85.02820	9.8
87.00734	3.1
89.02312	100.0
90.02665	1.6
93.03337	0.6
95.01267	2.5
96.95881	8.5
97.02851	1.2
99.00752	22.8
101.02317	46.1
103.41652	0.6
107.04895	1.2
111.00761	0.7
112.45093	0.6
113.02317	15.7
113.03059	1.1
115.03892	1.0
119.03377	17.3
119.04804	0.9
121.02865	1.0
123.04344	0.7
125.02329	5.5
131.03392	19.3
133.02861	2.2
133.53169	0.6
134.03674	0.7
143.03413	3.6
147.04388	1.8
149.04454	49.2
150.04820	1.2
151.00298	0.6
151.03877	2.7
161.04462	5.7
165.05426	1.2
175.03902	5.6
179.05533	8.1
191.05534	13.2
193.04990	2.3
205.05014	1.3
209.11800	0.8
211.13425	1.4
221.06622	1.1
233.00175	0.7
233.06520	1.1
243.10184	2.5
251.07762	3.1
284.03250	1.9
285.03998	3.7
286.04337	0.8
301.29675	0.7
315.12637	0.8
315.18002	1.8
318.22809	0.7
338.03973	0.7
387.19916	0.8
447.09229	1.3
447.22278	27.3
448.22592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92597	0.5
53.98913	0.5
54.16098	0.6
59.01250	100.0
60.01586	0.7
67.46497	0.5
69.59362	1.1
69.59771	2.5
71.01251	4.1
73.02853	0.5
85.02830	0.9
89.02328	6.4
97.71741	0.5
101.02311	3.6
113.02348	2.2
119.03397	2.8
161.04443	2.5
179.05588	1.2
189.12866	1.3
207.14041	0.6
219.37009	0.6
387.20242	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	447.223
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01759	1.9
55.02192	0.7
57.03318	1.9
58.00459	3.0
59.01247	96.8
60.01595	0.7
69.03332	1.0
70.56586	2.5
71.01251	64.5
71.28259	0.6
72.01566	0.9
72.99174	5.7
73.02813	17.6
73.81806	0.6
75.00752	1.2
78.39950	0.6
83.01244	3.6
83.27229	0.6
85.02820	9.8
87.00734	3.1
89.02312	100.0
90.02665	1.6
93.03337	0.6
95.01267	2.5
96.95881	8.5
97.02851	1.2
99.00752	22.8
101.02317	46.1
103.41652	0.6
107.04895	1.2
111.00761	0.7
112.45093	0.6
113.02317	15.7
113.03059	1.1
115.03892	1.0
119.03377	17.3
119.04804	0.9
121.02865	1.0
123.04344	0.7
125.02329	5.5
131.03392	19.3
133.02861	2.2
133.53169	0.6
134.03674	0.7
143.03413	3.6
147.04388	1.8
149.04454	49.2
150.04820	1.2
151.00298	0.6
151.03877	2.7
161.04462	5.7
165.05426	1.2
175.03902	5.6
179.05533	8.1
191.05534	13.2
193.04990	2.3
205.05014	1.3
209.11800	0.8
211.13425	1.4
221.06622	1.1
233.00175	0.7
233.06520	1.1
243.10184	2.5
251.07762	3.1
284.03250	1.9
285.03998	3.7
286.04337	0.8
301.29675	0.7
315.12637	0.8
315.18002	1.8
318.22809	0.7
338.03973	0.7
387.19916	0.8
447.09229	1.3
447.22278	27.3
448.22592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.8
69.48988	2.3
71.01247	0.4
78.95774	61.2
82.16167	0.3
85.02808	0.6
87.60521	0.3
89.02326	0.4
91.03865	0.4
96.95887	3.7
96.96834	6.9
98.95455	0.4
101.02313	0.6
105.52169	0.3
115.03899	0.4
129.01817	1.1
134.03670	0.4
137.02376	0.4
150.97871	1.6
151.00372	0.3
152.99486	100.0
153.99811	1.7
167.83852	0.3
171.00546	4.6
178.40111	0.3
195.30667	0.3
201.02405	0.4
201.11224	0.6
202.49426	0.3
285.04050	0.8
311.22174	0.3
313.23843	3.5
315.06479	0.3
317.14081	0.5
324.13919	0.4
365.13983	0.4
387.20398	0.6
447.21494	9.7
448.21841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66172	0.3
50.95945	0.3
59.00981	0.5
59.01250	4.8
60.78477	0.3
62.96254	0.4
71.01257	0.7
71.58624	0.4
77.03310	0.3
78.95775	54.3
85.02807	0.3
89.02340	0.3
90.08669	0.3
93.03375	0.5
96.95882	1.1
96.96837	5.8
96.97414	0.5
101.02325	0.6
112.43837	0.3
113.02324	0.4
137.02361	0.4
150.97913	1.8
152.99489	100.0
153.57074	0.3
153.99849	1.4
159.06123	0.3
161.04491	0.4
163.82259	0.3
166.52687	0.3
171.00572	4.2
196.77875	0.3
201.02484	0.6
279.23251	0.4
284.03046	0.6
285.03986	1.1
293.08429	0.4
293.21152	0.3
311.09518	1.0
371.32047	0.3
387.20166	0.5
411.18463	0.6
447.09076	0.6
447.15604	1.2
447.21411	10.9
447.30798	0.4
448.16266	0.3
448.21844	1.4
465.76239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96452	0.4
59.01252	100.0
60.01586	1.1
69.03349	0.5
70.43017	1.6
71.01259	5.7
72.25827	0.4
72.99188	0.7
73.02823	6.4
75.00751	0.5
79.95620	1.2
80.19463	0.4
83.01257	2.8
85.02838	1.5
86.45535	0.4
87.00758	0.5
89.02296	2.0
95.01254	0.5
96.95898	9.9
96.96499	0.8
97.06458	0.4
98.95485	1.4
101.02322	6.5
102.50301	0.4
107.01303	0.9
113.02337	3.2
118.85432	0.4
119.03427	0.7
131.03467	0.5
133.02811	4.3
134.38734	0.3
143.03400	0.6
144.55884	0.4
149.02368	0.9
149.04472	0.7
151.00272	2.2
153.03828	0.4
161.04477	2.1
161.44328	0.4
175.03947	1.1
183.10222	1.2
191.05623	0.5
199.03928	0.9
217.05046	0.6
218.10146	0.4
256.03818	1.1
259.01276	0.7
281.56766	0.4
284.03329	2.7
285.04037	50.0
286.04395	3.9
325.58713	0.6
447.09256	9.2
448.10034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
59.01249	36.6
60.01585	0.3
71.01250	3.2
71.04890	0.2
72.15147	0.2
72.99182	0.3
73.02811	3.0
75.00744	0.6
79.95605	1.8
83.01270	0.7
85.02838	1.4
87.00759	0.8
89.02312	1.4
95.04893	0.3
96.95890	7.4
97.06443	0.3
98.95483	0.7
101.02319	2.8
102.39279	0.2
107.04917	0.6
113.02325	1.5
113.97695	0.2
119.03362	0.6
119.04836	0.3
123.04408	0.3
125.02367	0.3
129.05428	0.4
133.02852	0.8
137.09573	0.3
139.11188	14.9
140.11519	0.8
143.03387	0.5
147.04404	0.4
151.00294	0.3
151.03896	0.9
161.04468	0.9
163.11165	0.8
165.05505	0.6
165.09125	0.7
175.03922	2.6
179.03378	0.3
181.12257	10.1
182.12605	0.5
183.10185	21.1
184.10493	1.0
191.05580	0.3
193.04965	0.8
199.13339	6.0
200.13632	0.4
205.04965	0.4
207.10287	0.3
217.04973	0.6
225.11264	7.1
226.11670	0.6
227.03479	1.1
243.12341	100.0
244.12657	6.8
249.11285	0.5
255.03027	1.7
256.03601	0.4
259.01263	0.3
284.03265	4.1
285.04001	4.7
285.13403	3.4
286.04382	0.4
316.08054	0.4
316.58020	0.9
317.07941	0.4
325.08047	0.3
387.15747	0.3
387.20493	1.4
447.09344	4.8
447.18268	4.7
448.09552	0.8
448.19269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14326	0.3
53.23522	0.3
56.82133	0.3
57.03326	1.0
58.00481	0.4
59.01249	74.3
60.01592	1.1
60.99173	0.6
61.98710	0.4
64.42963	0.3
69.03335	0.6
69.78666	0.7
69.79072	1.3
71.01255	6.5
71.04906	0.3
72.99192	1.0
73.02816	5.8
75.00748	0.8
78.79331	0.4
79.95631	1.3
80.48909	0.3
83.01258	2.0
83.04895	0.5
85.02834	1.5
87.00759	0.5
89.02315	1.9
95.01273	0.4
95.04912	0.3
96.95888	11.3
97.06449	0.5
98.95480	1.4
99.00761	0.5
99.92472	0.7
101.02319	4.3
103.00231	0.4
105.00836	0.3
107.01287	0.5
111.08017	0.4
112.98705	0.4
113.02316	2.1
115.91979	1.1
116.88249	0.3
116.92731	4.1
119.03380	0.6
121.02843	0.6
125.02358	0.5
130.37935	0.3
133.02870	1.4
135.04384	0.9
137.09680	0.6
139.11189	10.0
139.12241	0.6
140.11519	0.6
142.64131	0.3
143.03481	0.4
151.00258	1.6
161.02338	0.4
161.04482	1.3
163.11200	1.6
165.09129	1.4
175.03925	1.1
179.03493	0.5
181.12262	9.6
182.12607	0.7
183.10185	16.8
184.10550	1.0
191.05573	1.3
199.13322	8.6
205.12291	0.5
207.10144	0.4
209.11790	0.6
211.13412	0.8
213.05623	0.4
217.04970	0.5
225.11279	6.8
226.11563	0.4
229.04993	0.3
243.12344	100.0
244.12669	6.3
249.11282	0.9
255.03009	0.8
256.03632	0.5
271.02469	1.5
284.03192	3.2
285.04034	17.2
285.13446	2.9
286.04471	1.4
300.02682	2.2
301.03513	1.2
326.08780	0.4
348.93503	0.3
387.20245	1.8
447.09424	5.1
447.18115	5.2
448.09647	0.5
448.18790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08268	0.3
53.63006	0.3
59.01247	0.8
62.96280	1.1
70.59290	0.6
70.59659	0.6
78.95773	37.4
78.99862	0.3
96.96841	2.8
98.19857	0.3
123.44497	0.3
148.99995	19.9
150.00294	0.3
151.98439	0.3
152.99432	0.4
158.92427	1.7
179.01044	2.1
192.50058	0.3
205.15938	1.6
227.50974	0.3
347.08102	0.6
386.07120	0.3
417.12497	0.7
431.10306	1.9
447.13397	100.0
448.13739	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	447.1297
Annotation	Belalloside B
Peak:m/z	Relative Intensity
52.06195	0.2
59.01252	6.3
70.34716	0.2
70.86601	0.5
71.01248	0.4
78.64767	0.3
78.95755	0.2
85.02819	0.3
86.66655	0.2
89.02311	0.4
91.01764	0.7
93.03336	42.5
94.03675	1.1
96.95901	2.1
101.02331	0.3
108.02074	1.3
113.02325	0.3
121.02805	0.6
123.00761	0.3
123.04420	0.7
135.00766	0.8
137.02342	100.0
137.65633	0.2
138.02686	3.7
152.01057	1.0
166.99590	0.2
201.02573	0.3
211.13329	0.8
243.06604	6.1
244.06905	0.6
284.03198	0.6
285.03998	0.9
358.97906	0.3
387.11472	0.3
387.20267	0.3
438.15530	0.2
447.08456	0.4
447.13818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13906	0.6
57.03330	1.2
58.00471	0.8
59.01247	100.0
60.01579	1.4
70.68542	0.6
71.01250	14.1
71.13538	0.6
71.58178	1.0
72.99191	1.1
73.02817	5.3
75.00745	2.4
78.90569	0.6
79.95602	1.4
80.15247	0.6
83.01257	0.9
85.02821	4.7
87.00758	1.5
89.02318	4.7
93.03354	1.1
95.04903	0.8
96.95885	16.3
97.02849	0.9
98.10996	0.7
98.95485	1.8
99.00724	1.4
101.02315	7.8
106.04131	2.6
107.04904	6.5
108.02061	1.7
113.02322	6.9
119.03423	0.9
119.04885	4.6
121.02867	1.4
123.04396	7.7
125.02311	1.0
129.01923	0.7
131.04901	4.3
132.02026	1.3
133.02846	15.5
133.03807	1.2
135.04477	1.7
139.11191	5.0
143.03418	1.5
145.02859	0.7
145.06502	1.5
147.04419	5.4
149.00827	0.6
149.04506	0.6
149.06009	1.5
151.00345	0.6
151.03911	18.4
152.04207	0.7
152.82610	0.8
153.99826	0.6
159.04510	0.7
161.04483	4.6
161.05887	1.4
163.03946	1.0
163.11316	0.7
165.05450	5.2
165.09042	0.7
173.06012	2.8
175.03915	31.3
176.04282	1.7
179.05553	1.2
181.12251	5.0
183.10184	9.3
187.03905	1.1
191.05521	1.1
193.05013	8.1
199.13304	3.4
201.57941	0.7
205.04947	4.6
209.11816	2.2
210.12115	1.2
211.13310	0.7
217.04910	3.4
223.06129	2.2
225.11292	3.2
227.03488	1.9
235.06172	1.7
243.12337	37.9
244.12729	1.4
249.11334	1.4
255.02939	2.0
256.03537	0.8
284.03253	7.6
285.03983	11.0
285.13437	2.8
295.08310	1.8
300.02710	1.2
301.03583	1.8
325.58432	1.1
369.09857	0.7
387.20401	3.8
405.21375	1.2
447.09155	12.9
447.18704	1.9
448.09793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13906	0.6
57.03330	1.2
58.00471	0.8
59.01247	100.0
60.01579	1.4
70.68542	0.6
71.01250	14.1
71.13538	0.6
71.58178	1.0
72.99191	1.1
73.02817	5.3
75.00745	2.4
78.90569	0.6
79.95602	1.4
80.15247	0.6
83.01257	0.9
85.02821	4.7
87.00758	1.5
89.02318	4.7
93.03354	1.1
95.04903	0.8
96.95885	16.3
97.02849	0.9
98.10996	0.7
98.95485	1.8
99.00724	1.4
101.02315	7.8
106.04131	2.6
107.04904	6.5
108.02061	1.7
113.02322	6.9
119.03423	0.9
119.04885	4.6
121.02867	1.4
123.04396	7.7
125.02311	1.0
129.01923	0.7
131.04901	4.3
132.02026	1.3
133.02846	15.5
133.03807	1.2
135.04477	1.7
139.11191	5.0
143.03418	1.5
145.02859	0.7
145.06502	1.5
147.04419	5.4
149.00827	0.6
149.04506	0.6
149.06009	1.5
151.00345	0.6
151.03911	18.4
152.04207	0.7
152.82610	0.8
153.99826	0.6
159.04510	0.7
161.04483	4.6
161.05887	1.4
163.03946	1.0
163.11316	0.7
165.05450	5.2
165.09042	0.7
173.06012	2.8
175.03915	31.3
176.04282	1.7
179.05553	1.2
181.12251	5.0
183.10184	9.3
187.03905	1.1
191.05521	1.1
193.05013	8.1
199.13304	3.4
201.57941	0.7
205.04947	4.6
209.11816	2.2
210.12115	1.2
211.13310	0.7
217.04910	3.4
223.06129	2.2
225.11292	3.2
227.03488	1.9
235.06172	1.7
243.12337	37.9
244.12729	1.4
249.11334	1.4
255.02939	2.0
256.03537	0.8
284.03253	7.6
285.03983	11.0
285.13437	2.8
295.08310	1.8
300.02710	1.2
301.03583	1.8
325.58432	1.1
369.09857	0.7
387.20401	3.8
405.21375	1.2
447.09155	12.9
447.18704	1.9
448.09793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.2
63.02260	1.6
65.00188	1.0
68.29353	0.1
68.64494	0.1
71.35348	0.2
71.35675	0.2
77.52529	0.2
83.01235	1.0
93.12502	0.2
93.27916	0.1
96.95931	0.2
98.47923	0.2
105.03391	0.2
107.01272	2.4
109.02820	0.7
113.02348	0.2
121.02831	0.4
123.00735	0.2
125.02314	0.2
132.02080	0.3
133.02841	4.4
134.03654	1.1
141.10463	0.2
148.01559	0.4
149.02333	1.5
149.99457	0.5
150.99120	0.3
151.00272	4.7
163.00212	0.2
167.04919	0.2
169.01317	0.3
171.04393	0.3
174.03081	0.3
175.03937	1.7
177.01854	0.3
183.04393	0.6
187.03914	0.5
188.04718	0.2
189.05464	0.3
197.06010	0.3
198.03011	0.3
199.03911	2.1
200.04684	0.8
201.01959	0.7
202.98901	0.1
211.03987	0.9
212.04620	0.5
212.59384	0.2
213.05479	0.5
215.03607	0.4
216.04088	0.3
217.04955	0.9
227.03458	1.8
228.04095	0.6
239.03400	0.6
240.04276	0.3
241.05002	0.7
242.02141	0.3
243.02934	0.5
255.02998	1.4
256.03717	4.1
257.04340	0.4
267.02945	0.3
269.04483	0.4
283.02472	0.7
284.03247	57.8
285.04007	100.0
286.04382	6.6
297.03876	0.4
299.05777	0.2
327.05072	1.2
387.20239	0.2
401.68369	0.1
447.09277	75.6
448.09625	8.1
448.16040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
63.02261	0.2
65.00193	0.6
69.68695	0.4
69.69105	0.1
70.09219	0.1
71.01247	0.1
73.02809	0.1
74.28961	0.1
79.95612	0.2
83.01275	0.5
96.95893	1.4
101.02331	0.1
105.03333	0.2
107.01266	1.6
113.02316	0.1
115.91936	0.1
116.92730	0.4
121.02821	0.3
132.02066	0.2
133.02844	8.4
134.03209	0.2
135.04395	0.1
139.11143	0.2
139.41055	0.1
143.04872	0.1
149.02342	1.6
150.02771	0.1
151.00272	4.6
152.00571	0.2
169.01367	0.1
169.06511	0.2
171.04401	0.3
173.02307	0.1
173.05975	0.2
175.03923	2.8
176.04137	0.1
181.12334	0.2
183.10182	0.3
185.05992	0.3
187.03796	0.1
189.05452	0.2
197.06070	0.4
198.03104	0.3
199.03937	2.0
199.13310	0.2
200.04259	0.1
201.01860	0.9
211.03877	0.1
212.04587	0.1
213.05463	0.5
215.03484	0.5
217.05019	1.2
218.05389	0.1
223.03923	0.2
225.11282	0.2
226.02649	0.1
229.05037	0.3
239.03450	0.2
240.04073	0.1
241.05000	0.9
242.02122	0.2
243.02982	0.6
243.12349	2.5
244.12801	0.1
256.03690	0.3
257.04578	0.3
267.03009	0.3
284.03336	0.9
285.04031	100.0
286.04382	7.0
327.05334	0.1
447.09329	2.2
447.18771	0.1
448.09598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40614	0.1
56.88925	0.1
59.01251	4.3
65.00200	0.7
69.45589	1.3
71.01252	0.3
73.02823	0.4
73.76109	0.1
79.95621	0.2
82.58630	0.1
83.01256	0.4
89.02324	0.3
96.95888	2.5
98.19873	0.2
101.02309	0.5
105.03324	0.2
107.01257	1.6
111.28628	0.2
117.92593	0.1
121.02820	0.3
133.01828	0.4
133.02840	6.6
134.03180	0.3
146.03633	0.2
149.02377	1.5
151.00262	4.2
169.01233	0.2
169.06444	0.2
171.04375	0.3
175.03918	2.4
191.05539	0.2
197.05989	0.3
198.03102	0.3
199.03935	2.0
201.01868	0.6
211.03802	0.2
213.05550	0.3
215.03467	0.4
217.05020	1.6
225.11284	0.3
226.02605	0.2
229.04984	0.2
235.22780	0.1
240.04239	0.3
241.05022	0.7
243.02942	0.6
256.03757	2.0
257.04391	0.5
267.03055	0.3
284.03293	3.4
285.04031	100.0
286.04379	7.2
325.58389	0.2
446.59238	0.2
447.09290	19.8
448.09579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31031	0.6
59.01252	100.0
60.01604	0.8
66.92412	0.8
71.01263	2.7
71.54174	1.2
71.69763	0.6
78.95798	1.7
89.02319	2.3
89.55566	0.6
91.03879	4.5
96.95886	7.8
100.08012	0.7
101.02351	1.0
113.02332	1.1
119.03409	1.0
121.02859	1.2
129.09126	0.7
135.04471	0.8
140.87967	0.8
152.08395	0.7
152.99507	1.1
153.09186	2.1
157.04700	0.7
161.04469	1.1
197.11852	0.7
205.12305	1.1
207.68808	0.7
209.11859	0.6
211.13466	1.9
223.13387	0.8
276.21240	0.7
290.55994	0.8
293.21344	2.0
294.94864	0.6
311.22241	20.8
311.25778	1.1
312.22729	1.4
385.14465	0.8
385.18942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30721	0.4
59.00954	0.6
59.01246	11.4
59.83738	0.4
63.02249	1.5
65.00172	1.7
69.59553	3.5
71.01228	1.4
73.02805	0.7
79.95598	1.1
83.01260	2.2
85.02816	0.7
90.79405	0.4
93.03319	0.6
96.95888	16.7
98.95464	2.4
101.02271	1.1
107.01254	4.8
108.02047	1.9
109.02844	4.5
113.02287	0.6
116.01785	0.5
119.04909	0.7
121.02837	5.1
125.02290	0.7
135.00755	1.4
137.02235	0.5
139.11179	1.3
144.19684	0.5
148.01532	1.8
149.02380	0.8
151.00267	18.9
152.00638	0.8
163.00291	5.3
164.01033	1.3
169.01239	1.0
175.03923	1.0
178.99765	9.5
181.12265	0.8
183.04485	1.0
183.10199	1.8
185.05957	0.5
187.03899	1.2
189.05679	0.5
190.99893	0.5
191.05504	0.7
192.00554	0.6
199.03967	1.5
199.13306	1.1
201.05392	1.0
203.03487	0.8
211.03944	2.0
215.03500	0.9
216.04243	0.6
217.04567	0.5
225.11235	1.1
226.02689	1.6
227.03468	4.2
228.03967	0.9
229.05049	1.6
239.03383	0.6
243.02965	13.5
243.12340	12.4
244.03305	1.4
244.12912	0.6
245.04596	3.1
254.02213	2.0
255.02948	32.5
256.03381	3.1
257.04364	0.5
259.01288	1.0
271.02454	59.9
272.02896	5.5
273.04019	1.8
283.02487	2.7
284.03345	2.4
285.03952	2.5
285.13556	0.8
299.01959	1.6
300.02716	100.0
301.03467	78.6
302.03787	4.7
313.08072	0.5
325.08292	0.7
325.58530	1.5
326.08676	0.9
355.05060	0.7
366.05746	0.5
447.09293	72.1
448.09610	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03531	0.8
59.01248	100.0
60.01577	1.0
61.98694	1.0
69.14361	0.7
69.30123	3.5
69.30550	4.1
71.01261	2.8
79.95604	0.8
89.02338	3.2
91.03902	3.4
96.95881	6.3
101.02341	1.7
108.73252	0.7
113.02315	1.3
119.03336	1.1
121.02871	1.4
152.08263	0.7
153.09154	3.0
161.04491	0.9
169.41438	0.7
179.03349	0.8
187.79576	0.8
205.12300	1.2
209.11864	1.1
211.13234	0.9
311.22223	10.5
312.22375	1.3
385.14624	3.5
385.19055	0.9
443.62036	0.9
445.29807	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	445.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
68.02089	0.4
69.52296	2.6
69.52703	0.7
78.95772	7.6
85.33280	0.5
110.98399	5.3
117.77037	0.4
167.01067	2.5
185.02127	3.9
209.94656	0.5
277.21698	100.0
278.22043	6.3
445.23489	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01601	1.0
61.98673	0.8
71.01252	1.5
71.58791	0.7
78.95790	1.8
80.49520	0.6
89.02324	2.1
91.03889	1.8
96.95877	5.3
101.02333	1.4
102.12644	0.7
113.02352	1.2
121.02903	0.8
152.99544	2.2
153.09146	1.7
192.97475	0.7
204.96822	0.7
211.13373	1.7
281.47351	0.7
293.21121	1.1
311.22247	12.3
312.22546	1.1
321.25333	0.7
357.09802	0.8
385.18973	1.2
415.28784	0.8
445.29898	3.4
461.61295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31280	0.5
59.01256	1.5
69.54174	4.1
74.09673	0.6
78.95780	21.3
104.97345	1.0
110.98412	15.4
110.99142	1.1
121.27194	0.5
131.65938	0.5
167.01071	15.6
185.02116	4.0
226.40683	0.5
275.20050	0.6
277.21722	100.0
278.22098	8.9
294.86108	0.5
335.02469	0.5
445.23639	15.2
446.23914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
59.01232	1.5
59.90752	0.4
69.57454	2.9
71.01210	0.5
75.50279	0.5
78.95775	10.0
110.98408	7.8
114.46418	0.4
167.01051	6.0
185.02130	3.9
233.22804	0.6
277.21710	100.0
278.22043	9.7
445.23581	8.0
446.24161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55250	0.2
55.59465	0.2
57.03313	0.7
58.00464	0.8
59.01247	100.0
60.01583	0.9
69.03327	0.4
69.48974	1.2
69.49392	0.7
71.01249	11.3
71.28690	0.2
72.99194	0.7
73.02811	2.1
79.95613	0.4
83.01242	0.7
85.02813	2.1
87.00762	0.8
89.02311	14.4
93.61994	0.2
95.01273	0.7
96.95880	3.3
98.20518	0.4
98.67593	0.3
99.00744	0.5
100.27476	0.2
100.29945	0.2
101.02309	6.7
107.04887	0.6
108.16361	0.2
109.02871	0.3
113.02319	5.1
119.03387	5.9
123.08073	0.4
131.03395	0.7
134.03700	0.3
135.04396	0.3
135.08006	0.4
143.03381	1.1
149.04527	0.6
149.06033	0.7
153.09105	0.3
156.21124	0.2
159.45197	0.2
161.04433	1.2
163.11217	0.8
165.09096	0.2
179.04156	0.3
179.05475	1.4
179.10736	0.9
187.11226	0.4
197.11758	0.3
205.12263	5.4
206.12715	0.3
241.10817	0.7
241.14476	0.9
324.07837	0.2
325.08557	0.6
385.18954	0.8
403.19843	0.7
432.65100	0.2
445.21240	1.1
452.79861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40887	0.4
51.78307	0.4
51.91867	0.4
54.59156	0.4
58.00474	0.8
59.01253	100.0
60.01583	1.4
69.66540	2.6
71.01254	16.7
72.99178	0.8
73.02817	0.4
79.95610	0.9
83.04890	2.8
85.02799	2.0
87.00758	1.4
88.99173	0.5
89.02317	27.1
90.02670	0.5
95.01270	1.0
96.95892	22.4
99.43453	0.4
101.02322	8.7
111.79570	0.4
113.02334	8.1
119.03391	10.1
131.03413	1.0
138.96988	0.6
142.47508	0.4
143.03395	2.4
149.04483	0.8
161.04463	3.7
179.05539	14.2
205.12317	0.6
259.01361	1.4
374.92758	0.4
445.20407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56334	0.4
56.70853	0.4
59.01248	7.8
63.32624	0.3
65.14806	0.4
68.16629	0.3
69.89059	0.4
71.01251	1.4
71.57368	0.5
78.95771	72.7
85.02807	0.5
89.02310	0.8
92.34962	0.4
96.95901	2.8
96.96835	5.7
101.02311	0.7
121.02832	0.7
133.02757	0.5
135.04382	0.5
136.53845	0.4
139.07585	0.4
150.97906	1.5
152.99480	100.0
153.09149	0.8
153.99825	1.3
157.07445	0.5
161.04424	0.5
165.12708	0.7
166.69960	0.4
171.00549	3.1
181.06496	0.4
205.12292	0.6
265.48483	0.4
291.19598	1.0
314.57156	0.4
347.52612	0.4
374.89493	0.4
385.18747	0.6
401.23328	0.4
402.38495	0.4
416.15823	0.4
436.27713	0.4
445.19888	15.7
446.20294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65564	0.4
58.29264	0.4
59.01251	100.0
60.01588	0.4
61.98705	0.6
68.29927	0.3
70.14577	1.5
71.01262	1.4
75.40177	0.4
78.95778	4.8
89.02288	0.9
96.95901	0.5
101.02348	0.8
116.97192	0.5
121.02847	0.9
148.99988	5.5
149.00974	0.5
151.07568	0.4
153.09093	0.5
161.04462	0.6
194.64249	0.4
205.15935	4.2
223.13373	0.7
251.31813	0.4
273.90158	0.4
355.16769	19.3
356.17184	1.7
381.64578	0.4
385.17847	10.4
386.18399	1.4
445.19891	3.3
445.29642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93694	0.3
59.01252	6.6
61.98701	0.5
62.89302	0.3
62.96260	0.3
70.14968	1.3
71.01256	1.7
73.02804	0.6
75.00755	0.4
78.95772	53.0
85.02808	0.6
87.00753	0.3
89.02312	0.9
92.92683	0.4
96.95884	4.4
96.96832	5.6
101.02322	1.4
106.33383	0.4
113.02358	0.5
121.02823	0.8
150.97903	1.9
152.99481	100.0
153.09065	0.5
153.99826	1.3
161.04417	0.7
165.12762	0.4
171.00546	5.6
188.70427	0.4
191.05640	0.3
223.16887	0.7
240.17975	0.4
255.02948	0.4
284.03192	1.3
291.19540	0.4
329.23376	0.8
403.23312	0.9
445.19690	6.5
446.20062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.01250	18.5
65.16361	0.8
65.48299	0.6
69.35959	5.5
69.36380	1.9
71.01255	4.3
72.47933	0.9
74.02342	9.9
79.95636	1.0
83.01244	1.2
84.23352	0.7
85.02813	1.6
89.02316	2.8
96.95880	2.3
97.03945	0.7
98.19839	1.8
100.00273	2.1
101.02320	1.9
104.12815	0.8
113.02308	1.9
119.03375	0.9
121.02834	2.8
153.09077	2.4
181.06470	1.0
189.01826	2.7
201.02481	1.2
205.12239	0.9
209.11780	15.0
214.79182	0.8
225.05490	1.8
228.01021	1.3
229.01917	1.1
242.02585	1.3
244.01994	1.4
250.04944	0.8
253.09277	1.6
255.03079	4.8
255.06271	0.7
258.02234	8.9
259.03027	2.4
261.05762	0.8
264.06641	0.9
265.03806	2.1
269.01569	3.3
270.02289	27.8
271.02982	8.9
271.55380	1.0
272.03796	4.3
273.04642	2.8
274.05304	1.7
275.06137	0.9
280.06027	2.1
281.03668	1.0
283.02802	2.6
284.03888	7.4
285.04596	11.4
286.05392	35.0
287.05872	3.8
296.09094	0.8
298.05380	3.8
299.06146	5.0
300.06982	25.1
301.07281	2.3
302.08551	11.0
308.05673	1.9
311.02567	4.2
312.03043	1.7
314.08548	20.9
315.08905	1.7
326.04913	3.4
328.06378	3.8
329.07294	1.7
330.04419	4.0
330.07965	3.3
335.06348	1.0
338.06720	5.5
340.05786	0.8
340.34778	0.9
344.06000	2.4
348.12106	0.9
357.09134	100.0
358.09607	9.6
367.09265	7.7
368.09628	0.9
372.05447	23.9
373.05478	1.9
383.07022	9.5
385.18701	0.9
401.08136	15.5
402.08319	1.7
427.21350	0.9
432.56076	0.8
445.06839	11.4
445.24591	0.9
445.31195	1.1
446.07822	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.66164	6.3
71.01250	1.8
78.95747	0.8
79.95586	0.9
85.25025	0.9
90.05690	0.8
91.03922	1.6
95.27730	0.9
96.95905	4.6
98.16809	1.0
103.91902	2.0
105.26511	0.8
197.11816	4.5
202.92778	2.1
202.98694	1.1
211.13358	1.9
217.00224	2.6
291.19800	3.4
295.63779	1.1
309.20691	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.68719	1.5
66.69048	1.4
71.01232	1.7
77.18104	1.3
87.74474	1.3
89.02349	1.6
91.03867	1.7
96.95861	1.9
101.02333	1.3
103.91918	4.2
109.06561	1.9
110.57930	1.4
112.96237	1.5
113.02242	1.4
148.95305	1.5
202.92648	2.2
207.10217	1.7
217.00217	4.5
291.19620	2.3
309.20670	5.6
463.15854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01555	1.3
61.98697	1.9
62.90377	1.4
71.37920	3.1
78.95771	1.4
91.03898	2.1
91.40930	1.3
96.95891	16.7
103.91879	2.0
109.06467	1.6
110.64636	1.3
121.02848	6.6
123.68990	1.3
153.09039	1.3
171.10219	2.0
174.99146	2.1
180.16113	1.2
183.13828	3.4
195.13736	1.7
197.11771	4.5
201.39970	1.6
202.92821	3.1
202.98691	2.1
213.14932	10.3
217.00211	4.1
229.14363	5.2
230.62619	1.4
247.15425	1.7
291.19644	4.2
309.20767	9.8
341.10785	1.6
360.91949	1.8
443.30234	6.5
463.75134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58103	1.7
54.40683	1.3
57.03320	2.0
58.00468	2.4
59.01253	100.0
60.01572	2.5
61.01660	1.7
62.53948	1.4
68.16040	1.4
69.03323	1.5
70.77140	1.6
71.01256	61.7
71.58525	2.0
71.58889	1.8
72.99183	6.5
73.02824	68.3
82.39530	1.4
83.01261	21.4
85.02824	4.9
87.00748	2.0
89.02315	9.5
96.95863	4.1
97.02859	1.9
97.06484	2.0
101.02328	57.7
113.02348	9.4
115.00249	2.0
119.03377	1.5
125.02359	3.4
131.03391	2.0
141.12741	3.5
143.03397	4.1
149.04468	4.1
153.07869	1.6
161.04445	8.8
165.12671	1.9
171.10176	6.2
177.16402	35.0
178.16739	2.3
211.13272	2.8
221.15433	30.1
223.16992	1.6
229.14383	1.9
239.16473	15.0
256.03720	3.8
284.03299	10.9
285.03983	2.5
295.09720	1.6
299.05685	9.4
300.05905	3.2
308.48099	1.6
327.21790	35.4
328.22299	4.1
340.97559	2.7
376.86920	1.6
381.99786	1.8
383.00729	5.5
383.20660	1.7
397.02426	2.2
399.10526	2.0
401.21875	10.4
425.22049	2.2
443.22891	34.4
444.23383	3.0
450.47870	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95300	1.1
55.01749	6.0
57.03318	4.3
57.75565	1.2
58.00456	3.3
58.30089	0.9
58.54053	1.1
59.01249	100.0
69.03333	1.4
71.01250	92.7
71.58152	1.0
71.58569	1.6
72.01618	1.7
72.99184	11.4
73.02442	1.0
73.02814	25.9
74.02367	1.1
75.00755	1.5
79.95624	1.0
81.03358	1.4
83.01241	11.6
85.02818	36.7
87.00739	11.8
89.01746	2.5
89.02312	51.0
93.03219	1.1
95.01266	6.5
95.04907	2.5
96.36015	1.2
96.95874	13.4
97.02823	2.5
97.06470	1.5
99.00758	9.9
101.02318	71.7
103.00246	1.6
107.04905	1.7
108.02045	2.3
109.02823	14.1
112.98667	1.6
113.02317	37.6
119.03375	28.0
119.04901	1.2
119.97913	0.9
121.02850	2.7
123.04400	2.7
125.02364	2.7
125.05963	1.3
128.03450	1.9
129.01793	1.2
131.03410	2.5
134.03625	47.2
135.04448	6.7
136.01547	8.7
137.02341	4.6
141.01912	1.2
143.03395	6.2
143.04443	2.1
149.00812	6.9
149.04402	1.9
149.06026	1.3
151.03912	11.6
152.01099	2.4
153.01863	1.8
159.02899	5.3
161.04457	43.6
161.05817	2.4
165.09149	1.7
167.03407	3.4
177.03418	2.6
178.02655	2.8
179.05489	9.8
179.10666	1.3
181.08647	1.5
195.02980	2.3
196.03442	1.2
203.10614	1.7
204.03781	1.3
205.03636	1.5
205.12413	2.8
217.12166	1.5
221.11729	2.4
227.10616	2.2
231.10223	10.1
235.13341	1.7
245.92513	1.0
251.12863	8.9
272.54044	1.2
279.03918	1.3
281.10913	1.1
281.13950	3.1
290.23233	1.2
293.10172	6.6
299.13126	1.4
311.11353	29.3
311.14917	2.3
312.11691	2.2
383.17136	1.2
397.18744	3.9
413.18042	27.3
414.18692	3.3
415.19818	5.5
443.19244	66.0
444.19421	9.8
457.17261	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16675	2.6
55.01764	3.6
57.03324	4.4
57.56338	2.6
59.01252	84.3
60.01570	5.6
61.98698	9.6
62.80146	3.2
69.03334	5.2
69.79601	15.9
71.01255	65.0
72.01575	3.1
72.99180	8.4
73.02816	63.8
83.01267	11.0
83.04871	3.0
85.02815	15.4
87.00761	5.8
89.02317	11.2
89.03234	2.7
90.93204	4.5
96.95888	13.6
97.02841	3.0
98.19862	4.1
101.02316	26.8
113.02337	12.2
115.00230	5.2
125.02381	3.6
137.09622	5.3
161.04460	9.6
163.70338	3.7
171.10164	26.8
211.13419	6.8
219.13855	22.0
221.15471	21.1
228.40654	3.0
229.14417	3.8
239.16368	5.6
263.12872	100.0
264.13174	7.5
269.04514	4.0
279.51804	2.8
285.06839	3.3
327.21750	94.7
328.22031	9.0
355.08502	2.9
364.36234	3.2
401.22009	7.1
425.21484	3.8
443.22824	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	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00856	0.4
57.03321	1.4
58.00454	0.6
59.01251	100.0
59.19732	0.4
60.01596	0.8
69.03337	0.7
71.01253	18.3
71.58504	0.7
72.99182	1.2
73.02818	9.5
75.00766	0.7
79.54214	0.4
81.03299	0.4
83.01269	3.7
85.02820	7.9
87.00742	2.2
89.02312	9.6
89.02827	0.7
95.01281	2.1
96.95901	1.9
97.02843	0.9
98.66393	0.4
99.00765	1.1
101.02319	11.8
109.02786	0.5
113.02331	12.3
114.70790	0.4
115.63905	0.4
118.97958	0.7
119.03363	3.9
120.99551	0.5
125.02383	0.9
131.03448	0.9
134.97517	0.5
139.07590	0.4
143.03435	0.9
149.04469	0.7
155.03288	0.5
161.04457	3.8
161.09648	1.8
161.87308	0.5
165.09145	2.1
177.09166	1.5
179.05568	1.0
179.10750	1.8
179.83752	0.4
195.10176	2.3
203.10718	3.2
210.17883	0.5
221.11806	4.4
239.12941	1.1
249.34258	0.5
280.68335	0.4
283.75696	0.5
291.12488	0.7
311.11401	0.4
313.11322	0.9
339.14502	1.6
383.17050	10.6
384.17615	1.0
401.18033	9.6
402.18423	0.8
443.19104	4.1
444.19312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
50.95300	1.1
55.01749	6.0
57.03318	4.3
57.75565	1.2
58.00456	3.3
58.30089	0.9
58.54053	1.1
59.01249	100.0
69.03333	1.4
71.01250	92.7
71.58152	1.0
71.58569	1.6
72.01618	1.7
72.99184	11.4
73.02442	1.0
73.02814	25.9
74.02367	1.1
75.00755	1.5
79.95624	1.0
81.03358	1.4
83.01241	11.6
85.02818	36.7
87.00739	11.8
89.01746	2.5
89.02312	51.0
93.03219	1.1
95.01266	6.5
95.04907	2.5
96.36015	1.2
96.95874	13.4
97.02823	2.5
97.06470	1.5
99.00758	9.9
101.02318	71.7
103.00246	1.6
107.04905	1.7
108.02045	2.3
109.02823	14.1
112.98667	1.6
113.02317	37.6
119.03375	28.0
119.04901	1.2
119.97913	0.9
121.02850	2.7
123.04400	2.7
125.02364	2.7
125.05963	1.3
128.03450	1.9
129.01793	1.2
131.03410	2.5
134.03625	47.2
135.04448	6.7
136.01547	8.7
137.02341	4.6
141.01912	1.2
143.03395	6.2
143.04443	2.1
149.00812	6.9
149.04402	1.9
149.06026	1.3
151.03912	11.6
152.01099	2.4
153.01863	1.8
159.02899	5.3
161.04457	43.6
161.05817	2.4
165.09149	1.7
167.03407	3.4
177.03418	2.6
178.02655	2.8
179.05489	9.8
179.10666	1.3
181.08647	1.5
195.02980	2.3
196.03442	1.2
203.10614	1.7
204.03781	1.3
205.03636	1.5
205.12413	2.8
217.12166	1.5
221.11729	2.4
227.10616	2.2
231.10223	10.1
235.13341	1.7
245.92513	1.0
251.12863	8.9
272.54044	1.2
279.03918	1.3
281.10913	1.1
281.13950	3.1
290.23233	1.2
293.10172	6.6
299.13126	1.4
311.11353	29.3
311.14917	2.3
312.11691	2.2
383.17136	1.2
397.18744	3.9
413.18042	27.3
414.18692	3.3
415.19818	5.5
443.19244	66.0
444.19421	9.8
457.17261	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	441.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03055	0.4
59.01244	1.3
63.17657	0.4
70.67938	0.7
70.68276	0.7
79.95608	11.7
80.96371	1.3
86.49468	0.4
94.97958	0.9
95.95098	3.1
96.95887	86.8
108.25848	0.5
122.97472	4.9
145.02759	0.4
167.00156	0.7
437.13367	0.5
441.25229	100.0
442.25543	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	441.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08253	0.7
55.52666	0.9
59.01250	5.7
67.62241	0.7
70.15541	4.0
78.60341	0.8
80.02525	1.0
81.03339	0.8
83.04900	5.3
84.02045	1.4
97.06449	0.8
116.24265	0.9
125.09605	2.1
126.32472	0.7
127.11188	4.5
163.11183	4.0
165.09091	1.7
165.12746	2.9
171.10164	1.7
174.99190	1.2
183.13786	2.9
189.35313	0.8
191.10599	1.4
194.92787	1.1
195.13838	11.1
197.16696	0.7
199.09669	1.3
201.11259	39.6
202.11600	1.0
209.11763	100.0
210.12083	6.4
213.14899	25.2
214.15125	1.3
217.00285	6.4
227.12839	19.3
248.19826	0.8
276.93124	0.8
359.01416	1.8
397.25940	16.2
398.26093	1.6
405.26389	3.7
423.27423	16.1
424.28040	1.6
441.28680	0.8
459.36160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03320	0.5
59.01247	100.0
60.01582	0.9
69.03314	0.3
69.93951	0.5
69.94351	1.1
71.01247	4.3
73.02824	1.2
83.01264	0.8
85.02814	2.0
87.00751	0.5
89.02323	1.1
91.83926	0.3
93.03326	1.4
96.95907	0.8
98.20467	0.4
99.00757	0.6
101.02312	2.2
107.97741	0.3
112.98657	0.4
113.02322	1.9
117.73827	0.3
118.97144	0.3
119.03468	0.3
134.25729	0.3
135.98097	0.3
137.02350	2.1
157.08682	0.4
159.02899	0.3
161.04491	1.1
174.99127	0.3
211.13359	0.6
217.00290	0.9
220.46512	0.4
237.18550	0.4
259.85297	0.3
359.01559	0.6
381.22791	0.7
399.23792	2.7
419.85657	0.3
441.17978	0.5
441.28546	1.9
442.18936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
55.01757	1.1
57.03324	1.4
58.00444	0.3
59.01247	100.0
60.01580	1.0
69.03329	0.3
71.01248	13.6
72.99163	0.5
73.02811	4.8
75.00751	0.4
81.03338	0.3
83.01251	1.8
83.01657	0.2
85.02815	8.4
85.99975	0.3
87.00755	0.7
88.20402	0.2
89.02313	1.5
95.01271	1.0
97.02851	0.8
99.00749	2.2
101.02312	7.9
109.19048	0.2
111.00739	0.5
113.02326	5.3
113.03048	0.4
113.24874	0.2
119.03372	0.3
119.52001	0.2
125.02337	1.4
140.22946	0.2
141.88142	0.2
143.03435	1.4
159.02878	0.5
161.04446	3.6
255.19615	0.4
381.22772	2.5
382.23065	0.3
399.23828	18.3
400.24149	1.9
441.24686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01759	0.5
57.03328	0.6
58.00467	0.2
59.01248	100.0
60.01584	0.8
60.99174	0.2
70.34241	0.9
71.01249	7.6
72.99162	0.2
73.02819	2.3
75.00744	0.2
78.95778	0.5
83.01256	1.2
85.02814	3.4
87.00766	0.3
88.98667	2.5
89.02316	1.7
95.01285	0.6
96.95891	0.7
97.02840	0.3
99.00780	1.1
101.02314	4.0
111.00761	0.2
113.02329	2.8
119.03413	0.6
125.02338	0.3
143.03418	0.7
146.17441	0.2
159.02942	0.8
161.04463	3.0
165.12758	0.7
168.87181	0.2
188.91364	0.2
217.12148	0.2
233.11627	1.5
248.31671	0.2
249.10992	0.4
249.58502	0.2
251.12688	0.4
269.29471	0.2
334.15521	0.2
351.21384	0.9
364.15683	0.2
369.13068	0.3
381.22772	1.1
397.13492	0.4
399.23837	6.6
400.24042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	1.0
69.78613	0.3
70.21913	0.5
70.22290	0.6
71.01254	4.0
73.02821	2.7
83.01263	0.8
85.02849	0.8
89.02327	1.2
96.95907	1.5
101.02322	2.8
113.02316	1.7
151.00240	0.5
155.53224	0.4
161.04459	0.3
165.70198	0.3
261.11420	0.4
269.04602	0.8
300.72803	0.3
326.01407	0.6
397.05441	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33014	0.5
55.37123	0.5
57.03321	35.4
58.00463	0.9
59.01249	19.7
60.08022	0.5
63.56195	0.4
69.03321	1.0
69.53936	3.6
71.01248	8.9
71.04876	0.6
72.99172	0.9
73.02818	0.7
83.01245	0.9
83.04879	1.2
85.02821	2.1
87.00751	4.0
89.02314	8.1
91.05357	0.7
95.01257	0.8
95.04895	0.6
96.80347	0.5
97.06469	1.0
101.00553	0.7
101.02341	4.3
102.98475	1.1
109.06455	2.7
111.04398	0.8
111.07999	0.6
113.02303	2.2
119.03392	2.8
119.04871	0.8
121.06480	0.9
121.10092	3.5
123.08038	1.0
125.05992	0.7
129.01813	0.8
133.06445	0.7
135.04369	0.7
135.08052	0.9
137.05994	1.4
137.09607	0.6
139.05754	0.8
147.08063	2.2
149.06024	0.6
151.07462	1.0
159.08009	0.8
165.09157	0.8
167.05272	2.7
167.06889	0.7
171.11688	0.9
173.13268	3.2
175.11192	6.2
176.11641	0.5
177.09142	0.7
179.05513	0.5
185.06323	2.2
185.07813	0.5
191.14357	8.0
192.14606	0.8
199.11198	1.5
203.03500	0.8
203.60545	0.6
213.12732	0.8
217.12248	5.3
219.10321	0.5
231.13789	0.7
235.13347	48.8
236.13669	3.4
241.12234	0.5
259.09714	0.6
259.13257	1.2
261.11288	5.8
277.03293	0.6
279.12350	100.0
280.12701	7.8
293.13907	1.6
303.12268	0.8
311.09573	8.6
312.10034	0.8
321.13278	3.0
399.10962	0.8
441.12473	0.5
441.17676	9.1
442.17758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72823	0.5
55.01754	1.3
55.74323	0.5
56.97903	0.5
57.03326	23.1
58.25727	0.6
58.99458	1.1
59.01250	6.5
69.90748	1.8
69.91164	1.2
71.01251	2.3
72.86895	0.5
73.02815	1.2
74.98952	1.1
78.95842	0.6
79.95609	0.6
83.04926	0.9
85.02815	1.5
87.00750	2.1
89.02328	0.7
93.03321	1.3
95.04861	0.7
96.95895	6.3
97.06477	0.6
101.02319	1.3
102.98483	7.4
109.02805	0.7
109.06471	1.0
111.04350	0.7
113.02313	0.9
116.01672	0.7
118.97994	1.2
119.04939	1.3
120.97533	1.3
120.99548	1.1
121.06453	0.6
121.10114	1.8
123.04399	1.1
123.08047	0.9
133.06572	0.7
134.03580	0.6
135.04420	2.1
135.08029	0.6
145.02838	1.6
145.06435	0.7
147.04433	0.9
147.08043	2.2
159.33128	0.5
160.01547	1.3
161.04614	0.6
163.03891	1.7
165.09166	3.0
171.11723	0.8
173.09583	0.7
173.13271	3.9
175.03911	1.0
175.11177	3.3
177.09097	2.7
179.03403	1.6
185.19017	0.6
189.12773	0.8
189.87801	0.5
191.05522	3.0
191.07079	0.9
191.14343	2.4
193.05006	1.2
194.85272	0.6
199.11249	1.3
205.05058	0.7
207.10188	0.6
217.12297	6.1
219.10150	0.8
233.11858	1.7
235.06049	0.5
235.13342	15.5
236.13719	1.1
261.11285	3.5
279.12372	100.0
280.12769	6.3
295.10724	0.6
311.09891	2.6
321.13422	1.7
354.43866	0.6
355.05215	0.7
441.18384	2.7
442.17874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57841	0.4
57.03321	7.3
58.00483	0.5
59.01249	3.6
69.93444	0.9
69.93861	1.7
70.20257	0.4
71.01251	2.0
71.71887	0.5
73.02847	0.7
79.05408	1.1
84.86051	0.4
85.02845	0.8
87.00734	0.8
88.20691	0.5
89.02328	1.7
91.05401	0.4
91.61723	0.5
96.95879	3.4
97.06454	0.5
98.19860	0.7
101.02305	0.9
107.04929	0.6
113.02348	1.2
119.03397	0.4
119.04830	0.6
121.06444	0.8
121.10096	0.9
137.05975	2.0
137.09590	0.5
147.08035	0.7
163.11198	0.6
173.13254	1.2
175.11165	1.4
191.05424	0.9
191.14313	1.5
199.11134	0.5
217.12311	3.7
218.12495	0.7
224.47894	0.5
235.13348	64.6
236.13721	4.8
240.10852	0.5
261.11240	2.9
275.09235	0.5
277.14520	0.6
279.12350	100.0
280.12704	7.7
293.14063	0.9
311.09579	0.9
321.13403	6.5
410.96649	0.5
441.17667	15.1
442.17804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
58.46211	1.6
59.01247	100.0
60.01583	2.8
70.93723	1.9
71.01242	8.2
73.02807	6.4
83.04910	2.1
87.68922	2.1
89.02311	2.3
96.95865	4.0
98.19755	3.7
101.02298	5.6
111.04406	19.5
113.02308	2.1
119.03411	2.2
163.07515	4.0
173.13266	11.7
175.07565	5.4
180.84335	1.7
199.11296	2.1
217.12270	69.0
218.12651	4.1
223.02423	1.8
230.02434	2.5
261.11301	71.7
262.11639	5.8
361.46512	2.1
441.21286	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72823	0.5
55.01754	1.3
55.74323	0.5
56.97903	0.5
57.03326	23.1
58.25727	0.6
58.99458	1.1
59.01250	6.5
69.90748	1.8
69.91164	1.2
71.01251	2.3
72.86895	0.5
73.02815	1.2
74.98952	1.1
78.95842	0.6
79.95609	0.6
83.04926	0.9
85.02815	1.5
87.00750	2.1
89.02328	0.7
93.03321	1.3
95.04861	0.7
96.95895	6.3
97.06477	0.6
101.02319	1.3
102.98483	7.4
109.02805	0.7
109.06471	1.0
111.04350	0.7
113.02313	0.9
116.01672	0.7
118.97994	1.2
119.04939	1.3
120.97533	1.3
120.99548	1.1
121.06453	0.6
121.10114	1.8
123.04399	1.1
123.08047	0.9
133.06572	0.7
134.03580	0.6
135.04420	2.1
135.08029	0.6
145.02838	1.6
145.06435	0.7
147.04433	0.9
147.08043	2.2
159.33128	0.5
160.01547	1.3
161.04614	0.6
163.03891	1.7
165.09166	3.0
171.11723	0.8
173.09583	0.7
173.13271	3.9
175.03911	1.0
175.11177	3.3
177.09097	2.7
179.03403	1.6
185.19017	0.6
189.12773	0.8
189.87801	0.5
191.05522	3.0
191.07079	0.9
191.14343	2.4
193.05006	1.2
194.85272	0.6
199.11249	1.3
205.05058	0.7
207.10188	0.6
217.12297	6.1
219.10150	0.8
233.11858	1.7
235.06049	0.5
235.13342	15.5
236.13719	1.1
261.11285	3.5
279.12372	100.0
280.12769	6.3
295.10724	0.6
311.09891	2.6
321.13422	1.7
354.43866	0.6
355.05215	0.7
441.18384	2.7
442.17874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89253	0.5
56.97906	12.0
57.03301	1.0
58.58397	0.7
59.01247	8.9
59.52857	0.6
60.97386	2.5
69.03341	0.7
69.70348	3.9
70.99454	1.1
71.01256	1.8
72.97398	5.1
73.01022	0.6
73.02795	0.8
73.51495	0.5
73.98191	2.3
74.98964	7.5
78.95765	2.0
79.05408	0.9
79.95612	0.7
81.95177	0.6
83.04887	1.4
85.02831	1.4
87.00747	100.0
88.01080	2.2
89.00543	2.4
90.98463	0.6
93.03321	2.6
95.04909	2.3
96.95882	11.6
96.96839	0.8
97.57814	0.5
98.95485	1.4
98.96244	0.6
101.00568	1.4
107.04890	1.3
109.06448	0.6
111.04356	0.7
113.00594	0.8
117.00033	1.2
118.97980	5.4
119.04855	0.9
121.02824	0.6
123.04404	0.7
129.01833	1.2
135.04379	2.5
135.08038	0.7
136.98984	0.8
137.02319	1.7
137.03329	0.7
141.03670	1.2
147.08141	1.2
153.09151	1.0
155.01466	0.6
156.95287	0.7
159.08032	1.0
160.01543	0.7
161.02263	1.0
161.09547	0.6
163.03888	0.7
163.07587	0.6
169.03175	5.1
173.09702	1.0
175.11172	1.4
176.50081	0.5
179.00085	4.0
185.09587	0.7
187.11073	0.6
191.05539	5.3
197.22951	0.6
215.10719	1.9
217.12233	0.9
223.45380	0.7
235.13506	0.6
249.09482	7.8
261.11395	0.9
279.12231	3.2
311.05893	0.7
311.09555	12.6
312.10037	0.8
321.15579	0.7
321.41745	0.6
365.22098	0.6
374.44229	0.7
381.10104	1.4
395.19116	0.6
399.11353	1.5
441.17545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97283	1.0
56.97911	5.9
59.01252	14.4
59.42785	1.0
65.00195	2.3
67.01749	1.0
68.99683	5.5
71.01241	5.6
71.57421	1.4
72.99184	16.3
73.02799	1.9
74.98967	3.5
75.00738	1.6
83.01234	1.3
83.04896	1.2
84.99183	1.6
85.02810	2.9
86.23837	1.0
87.00749	16.0
89.02297	2.9
93.03329	3.5
95.01281	1.4
96.95861	3.9
99.00764	1.1
101.02324	3.5
102.98437	1.8
103.00224	2.0
111.00732	4.0
112.98690	12.7
113.02315	2.1
117.03339	9.1
118.97974	6.5
119.04919	86.3
120.05239	2.9
121.02840	5.8
123.04404	2.5
126.15244	1.0
127.00273	2.1
129.03368	4.9
130.99748	4.1
131.04974	2.5
133.02855	4.9
133.06497	1.2
134.03499	1.0
135.04399	3.1
137.02351	2.3
142.25000	1.2
143.04877	4.8
145.02867	52.3
146.03125	1.1
147.04424	30.1
148.04749	1.2
148.41293	1.0
149.00774	1.6
149.09636	1.5
151.03886	1.5
152.01030	1.7
154.99731	1.6
159.04364	2.1
159.06529	1.1
161.04636	1.9
161.05984	10.3
163.03920	36.3
164.04269	1.8
165.09134	1.7
167.03465	2.4
169.73087	1.0
171.04395	3.1
174.24976	1.1
175.03931	25.3
175.11275	2.0
177.05450	1.4
179.00133	2.0
179.03110	1.1
183.13766	1.3
188.58118	1.2
189.05472	3.5
190.05556	1.1
203.03441	100.0
204.03746	4.5
205.04982	2.3
215.03439	15.7
233.04550	5.0
233.11774	1.1
245.13936	1.6
259.02493	7.0
277.03516	90.6
278.03864	5.6
295.04633	1.3
309.09674	2.5
311.09494	2.6
346.70242	1.1
374.93320	1.3
388.00439	1.2
440.22058	1.6
441.14166	1.4
441.22324	1.6
442.18030	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14628	1.9
57.03325	5.2
57.97463	2.3
59.01244	43.3
68.99683	2.9
71.01244	10.0
72.97401	2.8
72.99174	15.7
73.02805	3.7
76.15872	2.4
79.95609	12.1
80.77677	1.9
83.01264	3.4
83.04903	6.4
85.02813	3.8
87.00745	56.1
89.02313	6.5
92.83034	1.9
95.01289	2.6
95.95094	3.7
96.95879	100.0
98.20552	5.1
101.02326	6.7
102.98421	5.0
103.00240	4.0
109.02841	2.1
111.00763	2.6
112.98694	13.0
113.02322	3.0
117.03345	7.4
118.97975	3.1
119.04913	91.1
120.05230	2.6
121.02840	5.2
130.99741	4.9
133.02882	2.8
134.03558	3.7
135.04408	8.6
137.02319	4.3
143.04932	3.2
145.02849	38.0
147.04407	28.0
147.08063	3.2
148.04761	2.2
149.00816	16.4
150.03134	2.3
151.03943	2.5
153.01886	2.8
157.03166	4.5
159.04381	2.7
161.04585	2.2
161.05963	7.8
163.03911	91.1
164.04292	3.1
171.04387	3.0
175.03903	18.6
175.11147	4.9
179.03404	5.6
179.05672	2.4
189.05495	3.0
194.02295	2.2
203.03413	74.4
204.03694	4.3
205.05113	2.5
215.03365	12.9
221.09953	5.0
233.04527	3.4
235.13412	4.4
247.09538	2.3
259.02457	6.6
261.11301	5.2
265.08939	4.0
277.03516	65.0
278.03796	4.3
279.12451	18.6
283.10086	8.8
286.20016	2.2
293.12711	2.6
295.04550	19.4
296.05231	2.2
309.09634	4.5
311.09595	37.0
321.13315	6.3
361.14169	2.8
370.33838	2.1
374.13089	2.1
399.11060	3.2
407.07300	2.0
441.12384	2.9
441.17715	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81009	1.8
57.03325	3.5
59.01242	5.7
59.94313	2.6
60.14845	1.9
71.04879	3.6
71.53466	2.3
71.53784	2.3
80.34277	1.7
90.68853	2.1
96.95889	5.7
97.02824	5.2
97.06475	4.3
99.00759	26.9
108.00456	2.2
117.67889	1.9
125.09651	11.7
163.11206	9.5
171.10201	4.0
181.12247	20.9
183.13795	4.2
192.95782	5.3
195.13831	6.0
199.13310	19.5
207.10188	40.4
207.12126	2.8
213.14938	18.0
217.00041	2.5
222.79533	2.4
225.11279	67.0
226.11580	3.1
243.12331	39.9
257.79239	2.7
333.17148	2.1
421.26138	4.4
439.26968	100.0
440.27460	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	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
57.03312	1.2
59.01247	100.0
60.01577	0.6
63.85273	0.4
70.50537	0.3
70.80916	0.9
71.01252	12.7
72.99197	0.9
73.02813	3.8
78.51173	0.4
78.95788	0.6
83.01273	1.7
83.04895	1.7
85.02813	6.0
85.03272	0.4
87.00765	1.3
89.02315	3.1
95.01279	1.1
96.95882	4.8
99.00766	1.7
101.02325	8.0
105.87907	0.3
113.02332	5.6
119.03397	1.4
125.02345	0.8
128.03448	0.8
129.01820	0.4
143.03427	0.6
145.02975	0.4
145.06065	0.5
159.02911	0.5
161.04446	2.5
180.25284	0.4
195.88712	0.4
203.89751	0.4
235.17072	1.1
245.02611	0.7
379.21143	2.0
387.66995	0.4
397.22263	9.8
398.22818	0.8
403.15686	0.7
439.23596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01596	0.9
65.38913	0.3
71.01250	1.8
73.02818	0.6
85.02850	1.1
87.95546	0.3
96.95923	0.7
99.00837	0.3
101.02345	1.1
101.66972	0.2
113.02339	0.6
159.02934	0.3
161.04489	0.8
255.05804	0.3
259.57953	0.3
261.11407	0.4
283.13788	0.3
379.21286	0.4
397.22491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10512	0.7
57.03312	1.1
59.01248	100.0
60.01581	1.5
69.31132	0.7
69.49155	6.2
71.01250	23.8
72.99171	2.0
73.02816	21.6
75.00750	0.8
79.95609	1.7
80.96378	0.9
81.03355	0.7
83.01258	7.1
85.02832	4.6
87.00754	1.1
88.98643	3.7
89.02315	9.8
95.01253	1.5
96.95884	23.7
97.02825	1.2
98.95441	0.9
99.00723	1.1
101.02312	22.4
113.02325	8.6
119.03376	2.2
120.31875	0.9
131.03375	1.4
143.03366	1.0
149.04480	1.4
161.04517	3.6
192.95726	0.8
215.10678	1.2
237.05795	0.9
251.03806	0.9
253.37485	0.8
261.14694	2.9
281.04782	4.2
299.05783	1.0
325.53516	0.9
349.19934	1.0
361.43399	0.9
379.12549	0.9
379.21075	1.6
381.13895	1.4
397.22281	6.3
421.12869	1.5
439.10092	1.3
439.15009	1.2
439.23218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42501	0.7
58.42403	0.7
59.01249	24.6
66.03355	2.8
68.01286	1.3
68.99696	5.8
71.01253	2.8
71.58421	0.9
72.99184	0.8
73.02822	5.4
78.25124	0.7
82.02849	9.5
83.01264	1.3
85.02841	0.8
87.00745	1.1
88.98669	3.7
89.02337	1.1
94.02861	2.1
95.01225	0.7
96.95875	3.4
101.02309	1.3
105.65852	0.7
108.04427	2.1
110.02359	17.9
111.01883	93.2
112.02195	2.0
122.02351	2.9
124.03947	1.9
126.01875	0.9
130.91049	0.7
134.02441	0.7
135.04453	1.3
140.03407	1.2
152.03450	4.8
164.03517	1.1
165.12648	0.9
179.03349	0.8
182.04506	6.7
183.13828	13.5
195.13777	12.6
213.14891	100.0
214.15283	6.4
219.13759	1.8
225.05110	4.4
233.11334	1.3
243.06198	2.6
263.12790	3.4
278.17953	0.8
306.17102	6.0
348.18018	2.8
349.19992	1.1
396.20236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79983	0.3
59.01246	25.1
60.01598	0.4
69.63053	2.0
71.01254	2.1
72.99162	0.4
73.02802	0.6
75.88669	0.3
82.02891	0.4
83.01232	0.6
85.02831	0.4
87.00755	0.6
89.02309	0.5
94.02853	0.3
96.95884	2.5
96.96819	0.3
99.00741	0.5
101.02299	1.3
108.04389	0.3
110.02349	0.8
111.01880	3.1
112.98689	0.6
113.02317	1.0
119.04905	1.1
134.03610	0.5
135.04396	0.8
137.09618	0.4
145.01324	0.4
149.00816	0.4
163.03906	0.8
165.02997	0.5
177.12671	0.4
178.02650	0.3
179.03416	0.3
182.04524	0.4
183.13815	12.2
184.14162	0.7
191.14342	0.4
195.13820	10.1
196.14146	0.8
211.13264	0.7
213.14886	100.0
214.15218	5.9
220.07184	0.3
225.05119	0.9
235.13509	0.7
254.39233	0.3
439.19913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
55.01768	0.7
56.99685	0.5
57.03327	2.1
58.00471	2.0
59.01248	43.4
70.02798	1.3
70.03212	2.4
71.01250	40.8
72.99189	1.8
73.02819	7.3
75.00748	0.8
76.23190	0.6
79.95628	1.1
83.01229	3.4
85.02818	11.3
87.00753	8.4
87.01192	0.8
89.02313	33.0
95.01298	2.1
96.95892	16.3
97.02786	0.7
98.95454	1.6
99.00751	2.9
101.02314	27.6
103.00237	4.4
113.02328	16.8
119.03369	11.8
131.03387	6.4
137.02409	0.7
143.03398	1.8
145.08662	1.0
149.04433	0.7
149.68092	0.7
157.06523	1.4
159.02898	2.3
161.04462	7.2
171.08118	1.7
172.05269	1.3
173.09633	17.7
174.10005	0.7
179.05499	4.5
197.09648	56.8
198.10008	3.9
215.10689	6.0
221.06490	1.2
231.10181	0.7
241.08618	2.6
265.05624	100.0
266.05954	4.5
327.50153	0.6
339.17380	0.6
421.15024	2.7
437.04733	0.6
439.16055	28.9
440.16260	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17074	0.4
57.03330	0.6
58.00463	0.5
59.01249	15.7
59.60567	0.4
71.01252	11.5
71.57578	0.7
72.99192	2.5
73.02829	0.6
79.95602	1.2
81.91858	0.4
83.01261	1.2
85.02820	2.6
87.00747	100.0
87.77757	0.4
88.01073	1.4
89.02312	11.8
93.03307	0.4
95.01261	0.9
95.04922	0.4
96.95884	11.6
98.95450	1.2
99.00780	0.7
101.02316	6.0
102.07148	0.4
103.00238	1.0
107.04919	0.5
109.02842	1.0
112.14721	0.4
112.98668	0.6
113.02340	4.3
118.97969	0.6
119.03374	4.5
127.39100	0.4
131.03452	0.4
137.31987	0.4
143.03386	0.9
145.10115	0.7
149.00810	10.0
149.04271	0.5
153.01823	1.5
161.04472	2.0
161.09662	2.4
171.08066	6.4
172.05203	0.6
172.08415	0.6
173.05951	0.8
179.05519	3.2
187.07564	3.7
189.09137	23.3
190.09489	1.5
197.09599	2.0
202.06267	0.9
213.09071	0.6
215.07088	0.5
215.10703	2.4
231.10222	1.7
241.08653	1.9
241.84933	0.5
259.09735	0.8
263.12921	1.4
275.09222	0.9
307.11853	2.1
382.37027	0.6
421.15100	3.1
422.15704	0.5
439.16074	8.9
440.16107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
52.39845	1.9
57.03320	2.6
59.01254	22.3
69.03324	17.7
69.49819	4.3
69.50227	13.8
71.01256	12.3
79.95603	2.8
83.04897	8.2
85.02811	5.2
87.00790	2.5
89.02328	6.5
90.68405	2.3
93.03306	3.5
95.04891	3.0
96.95887	35.2
97.02818	3.3
98.19793	3.1
99.04368	2.6
101.02313	4.5
109.02854	2.4
109.06466	4.7
111.04402	9.3
113.02328	7.0
119.08575	3.4
121.06481	5.4
135.04408	5.9
135.08057	4.6
136.01556	2.3
137.02321	5.9
147.08067	3.2
161.09621	2.3
168.42184	2.1
169.10056	2.2
171.11702	8.1
173.09631	5.1
177.05452	4.3
187.11234	8.5
189.12822	30.6
190.13177	2.5
191.05560	5.3
191.07115	3.7
213.70264	2.4
215.10699	14.8
216.11090	2.5
217.12424	2.4
231.10152	4.7
232.10919	2.3
233.11803	100.0
234.12215	6.3
247.13394	2.6
259.01468	4.4
259.09729	9.4
261.11063	2.6
273.11627	2.1
275.12735	4.3
277.10797	71.3
278.11203	6.5
291.12381	2.2
317.08566	6.4
317.58850	15.2
318.08884	5.8
319.11871	88.7
319.95685	2.2
320.12140	9.0
342.70731	2.5
379.13873	2.8
381.84494	2.4
439.15616	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	439.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.9
59.01246	26.9
68.99672	0.4
69.03319	3.1
71.01253	2.2
71.04908	0.7
71.11991	1.1
72.99175	2.7
73.02811	1.1
78.95737	0.5
79.95644	1.3
80.18445	0.4
81.73962	0.4
84.99186	1.6
85.02813	0.6
87.00745	23.7
91.02887	0.5
93.03354	0.7
95.04891	0.7
96.95881	14.2
96.96538	0.7
96.96820	0.9
97.02831	0.8
97.06466	3.5
98.95473	1.8
99.00748	2.4
101.02330	1.1
103.00243	16.4
105.03331	1.8
106.04100	0.9
109.02822	0.6
111.00774	0.5
111.93352	0.4
112.98684	25.5
113.02261	0.7
113.99012	0.8
121.02832	2.2
130.99780	2.9
133.02844	17.0
134.03624	68.1
135.04439	17.1
136.04709	0.6
137.02335	12.7
138.02771	0.6
139.03891	5.1
145.01312	4.7
149.00790	1.1
149.02332	1.1
150.03113	1.2
161.02310	0.9
162.03127	3.0
163.02394	1.9
177.01842	34.0
178.02620	100.0
179.03381	16.1
185.00821	3.2
198.64803	0.5
213.09212	0.9
230.38861	0.5
231.10210	9.6
232.10703	0.6
275.09232	41.1
276.09531	3.4
307.11841	25.5
308.12122	2.0
317.58896	0.9
318.09378	0.5
372.19733	0.5
407.09866	1.2
417.26709	0.6
432.66714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46060	0.6
59.01248	15.8
68.58081	0.7
72.99187	1.3
84.99173	1.3
87.00745	19.0
90.28766	0.8
96.95885	7.4
97.06458	6.2
98.19801	2.2
103.00246	10.1
104.06805	0.7
112.98682	21.8
130.99731	1.5
133.02843	5.2
134.03624	100.0
135.04477	7.6
136.72989	0.7
137.02350	1.5
177.01842	7.3
178.02620	23.3
179.03210	1.6
214.83394	0.7
226.73216	0.8
229.28720	0.8
231.10207	4.3
240.58292	0.7
245.86282	0.7
263.03293	0.7
275.09250	11.0
276.09433	0.8
307.11844	90.6
308.12247	7.6
439.12170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95672	0.3
69.87344	1.3
78.95778	55.7
79.95603	0.6
96.95921	19.5
96.96841	100.0
98.19747	0.3
100.62891	0.3
121.13280	0.2
182.59660	0.3
241.00299	0.4
282.91043	0.3
439.08453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30178	0.6
58.00455	1.1
59.01246	25.4
65.06879	0.6
67.41211	0.6
71.28915	1.4
72.99178	3.3
73.53712	0.6
79.95555	0.6
84.99191	1.8
87.00740	20.8
93.03264	0.9
93.49358	0.6
96.95902	4.0
97.06463	3.0
99.00731	0.8
101.02304	0.8
103.00240	15.8
105.03322	1.2
106.04146	1.5
107.02467	0.6
111.00726	0.7
112.98681	25.8
114.39915	0.6
121.02837	1.8
130.99742	2.3
133.02840	17.1
134.03624	55.7
135.04446	7.5
137.02330	11.4
139.03906	4.7
145.01323	3.2
149.00822	0.8
150.03101	2.2
154.11038	0.6
158.04663	0.6
162.03127	2.2
163.02359	1.2
165.01686	0.7
177.00250	1.0
177.01842	32.7
178.02621	100.0
179.03322	8.6
213.09126	1.2
231.10184	9.6
257.07834	0.7
275.09235	38.1
276.09540	2.8
307.11823	20.7
308.12274	2.2
407.09979	1.8
427.50049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2542
Annotation	Tritoniopsin B
Peak:m/z	Relative Intensity
57.03328	1.2
59.01244	3.5
64.17233	1.3
65.80523	1.2
69.03331	3.9
70.29259	5.0
71.04892	4.5
88.19250	1.2
96.95889	3.4
98.19798	1.8
106.97131	1.1
107.08824	1.3
125.09601	3.9
151.11217	2.0
153.12714	1.9
161.09612	2.4
164.34731	1.2
166.26929	1.3
179.10696	6.5
183.13806	2.8
195.13850	12.5
197.11755	100.0
198.12103	5.5
207.59482	1.3
213.14902	13.7
213.16762	1.7
214.15234	1.6
223.09666	1.7
228.93149	1.4
241.10831	6.5
356.84805	1.3
359.31104	1.3
419.24438	1.8
437.25378	94.1
438.25848	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	438.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.4
59.01248	21.1
60.01583	1.3
61.01673	2.0
61.98700	100.0
69.74236	2.9
71.01261	2.2
72.99153	0.5
73.02829	1.0
73.77854	0.4
76.76725	0.4
79.95605	0.7
83.01272	0.4
87.55310	0.5
89.02319	0.9
96.95895	7.6
98.19825	0.5
98.95447	0.6
99.00748	0.5
101.02352	1.3
105.33274	0.4
113.02327	0.9
113.59115	0.4
126.22487	0.4
129.81383	0.4
135.04410	3.9
136.04803	1.8
145.01375	1.2
145.02724	0.4
151.44734	0.4
152.72879	0.5
161.04401	0.5
179.03404	3.8
180.03719	2.1
183.13936	0.8
196.14294	0.7
213.14885	5.0
214.15257	7.4
215.15454	4.3
216.15756	3.3
248.19077	0.5
278.48331	0.4
353.20065	0.5
439.20059	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.73424	0.3
60.01586	0.9
60.43662	0.3
61.98682	0.7
67.33014	0.4
69.73659	2.6
71.01251	3.0
73.02818	0.9
79.95601	0.7
83.01281	0.5
85.02811	2.3
89.02342	1.4
93.56328	0.4
96.95882	7.4
96.96490	0.5
97.02843	0.4
99.00772	0.7
101.02319	3.8
107.27107	0.4
113.02335	2.1
133.64737	0.4
161.04410	2.4
173.15402	0.7
224.31532	0.4
244.36389	0.4
307.07266	0.4
317.19772	1.2
335.20746	11.3
335.24448	0.6
336.21225	0.8
363.27057	0.5
377.21725	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	437.2179
Annotation	CHEBI:67657
Peak:m/z	Relative Intensity
55.01765	1.2
57.03310	1.6
58.00473	0.8
59.01249	100.0
60.01574	0.8
61.23751	0.6
64.20757	0.6
69.03326	0.7
71.01253	20.0
71.30327	1.2
72.99192	0.7
73.02819	6.4
75.00738	1.0
83.01250	3.3
85.02824	8.9
85.99972	2.1
87.00745	11.7
87.04383	3.2
89.02316	3.4
95.01241	1.0
96.95889	7.1
97.02859	0.9
99.00773	2.5
101.02319	9.0
111.00717	0.6
113.02299	5.6
118.82623	0.6
119.03390	0.9
125.02305	0.9
126.18206	0.6
129.01756	0.7
129.20175	0.7
141.70094	0.6
142.63596	0.6
143.03375	0.9
161.04500	4.3
176.08319	0.7
182.76663	0.7
187.11247	1.2
189.12726	4.1
190.09834	2.9
191.10468	0.6
199.11163	0.7
203.14343	2.1
205.12268	10.3
206.12602	0.9
215.14381	4.6
217.12270	1.7
217.15936	4.6
221.15462	1.5
231.13850	11.6
232.14357	0.9
233.15414	68.6
234.15778	5.2
275.16571	1.5
305.17627	4.7
370.93939	0.6
377.19678	9.1
378.20059	1.3
395.20688	23.4
396.20889	3.0
404.80789	0.7
437.21753	42.9
438.21933	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	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.4
67.01768	0.7
69.61318	4.7
71.01260	2.2
73.02815	1.0
79.95612	2.9
80.96375	0.8
85.02821	1.6
89.02316	0.9
96.95886	70.0
98.20470	1.4
98.95454	1.5
101.02313	1.1
109.02890	1.6
113.02303	0.8
119.01272	1.8
130.47028	0.7
135.00777	2.5
135.04396	1.0
136.01610	3.3
137.02339	15.5
147.00764	2.3
149.00832	1.3
151.03928	3.7
162.03197	0.9
163.00294	0.7
163.03874	1.1
164.01031	5.7
165.01839	100.0
166.02185	3.6
178.02580	0.9
179.03413	61.2
180.04190	68.9
181.04851	6.8
182.05717	2.4
193.08652	3.7
194.04138	1.2
194.05769	13.3
195.02882	2.8
195.06551	85.2
196.07201	8.9
197.08089	2.8
210.03355	1.3
210.05263	14.4
211.09718	8.9
212.10123	0.7
224.03833	0.7
225.07631	60.7
226.07957	2.8
257.08228	0.9
257.17847	0.7
259.01248	2.7
275.13046	0.9
285.07681	1.6
294.08398	1.5
295.09204	1.2
316.07944	0.8
317.08633	1.6
319.11755	1.6
331.11844	1.7
343.11642	1.5
355.04761	0.8
359.11343	26.4
360.11624	2.2
374.13641	13.2
375.13815	1.1
389.16052	76.6
390.16376	6.7
437.23599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.1
63.54287	0.5
68.34752	0.5
68.68434	0.5
69.03360	0.6
69.67556	2.9
71.01259	2.3
72.99178	0.8
73.02812	1.0
76.29816	0.5
79.95594	2.7
80.96399	0.7
82.89679	0.6
83.01234	0.6
83.04880	0.5
85.02843	1.3
87.00744	0.8
88.24270	0.5
89.02319	1.5
96.95886	40.2
98.19836	0.7
101.02326	2.0
103.00266	0.6
109.02829	1.1
109.55107	0.5
113.02339	1.3
123.04407	0.6
125.02321	0.6
135.04411	0.6
137.02336	14.9
138.97006	0.6
149.00856	0.9
151.03790	0.6
164.01070	1.4
165.01839	100.0
166.02177	3.2
179.03418	15.6
180.04195	52.7
181.04707	3.3
182.05540	0.6
182.46252	0.5
185.09680	0.7
194.05779	2.3
195.02872	2.3
195.06546	76.2
196.06984	4.0
210.05257	12.4
211.09706	1.1
213.09140	2.4
225.07626	63.6
226.07967	4.1
229.14465	4.6
250.46701	0.5
257.08273	0.7
259.01236	2.1
307.07593	0.7
316.07971	0.7
316.57947	0.6
317.08487	2.1
319.11874	2.3
337.03687	0.7
355.04977	0.8
357.06424	1.9
359.11264	1.4
377.29456	0.8
389.16132	3.8
437.23764	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	437.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.7
58.00463	2.5
59.01250	59.1
61.46703	1.3
63.57120	1.2
71.01257	37.4
71.28543	1.9
71.28880	1.6
72.99189	3.1
78.68581	1.6
83.01266	2.0
85.02847	6.8
87.00751	10.6
89.02317	43.0
95.01276	4.2
96.95896	8.6
101.02323	27.6
104.63815	1.2
113.02319	16.0
113.03489	1.6
119.03382	18.3
125.47827	1.3
128.03436	1.3
131.03372	1.6
139.59094	1.3
143.03375	3.2
143.04469	1.7
161.04480	1.9
168.69954	1.2
170.07242	1.3
171.08064	13.7
179.05559	5.5
185.09665	2.2
198.06783	8.8
213.09152	100.0
214.09540	7.5
215.07115	2.3
229.82394	1.3
230.05807	5.3
231.10211	11.1
241.08757	3.9
257.08188	9.1
299.09299	2.5
343.13080	1.6
357.06473	1.7
393.15256	1.7
437.14410	15.7
438.14899	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	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35928	1.0
55.01751	1.0
57.03331	1.7
58.00470	2.3
59.01250	75.3
62.02065	0.8
69.03310	1.0
69.54753	6.6
71.01252	62.1
72.99174	4.4
73.02822	4.4
75.00748	1.1
77.49635	0.9
79.95600	4.3
81.02097	0.8
83.01252	6.3
85.02819	12.4
87.00752	34.2
89.02312	69.7
90.02665	1.7
91.76192	0.8
93.06941	1.3
95.01250	4.6
95.04901	2.9
96.95889	63.8
97.02779	0.9
98.95443	1.2
99.00751	2.6
99.08023	1.3
101.02319	37.0
109.06470	1.9
113.02334	33.0
113.05968	50.8
114.06279	1.7
115.03835	1.0
118.98008	1.4
119.03386	23.1
123.08064	1.9
125.02317	1.7
126.80273	0.9
127.07533	21.8
131.03397	5.0
132.40343	0.8
137.02397	0.9
137.05983	20.0
141.01817	1.0
143.03413	7.7
148.68074	0.9
148.73462	0.9
149.04616	2.3
155.07036	8.5
161.04469	11.7
167.07027	2.9
178.05014	1.3
179.05545	28.1
179.07117	1.5
180.05934	1.1
197.08133	1.1
201.11252	15.7
202.11418	1.1
213.09175	1.6
240.17714	1.1
253.09177	1.6
259.01282	2.3
323.09741	7.0
341.10864	100.0
342.11185	5.3
364.50916	1.1
437.16101	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	437.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.9
61.98719	0.7
63.42759	0.6
70.52718	0.6
71.01256	1.6
71.35609	0.9
72.99218	0.8
73.02842	0.9
75.00793	0.7
75.86649	0.6
79.95616	0.7
85.02843	1.0
92.35391	0.6
96.95889	10.8
101.02322	1.2
107.04936	1.2
113.02311	1.2
133.02837	0.8
134.03656	3.6
135.04416	100.0
136.04764	5.1
160.01483	1.3
161.04396	0.9
179.03416	98.1
180.03792	4.3
201.11084	0.7
213.14816	0.8
259.01181	0.9
267.06650	0.7
295.06235	0.9
305.19888	0.6
339.04889	0.9
340.05661	2.0
340.08401	0.9
345.17175	0.8
393.37311	0.6
419.26718	0.7
437.13239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25119	1.6
56.15873	1.8
57.03323	4.5
59.01249	26.5
69.03306	2.5
71.01243	15.2
71.45570	4.5
72.99197	2.0
73.02831	8.2
75.00755	3.0
78.30670	1.7
79.95607	7.5
80.96375	2.1
81.03318	3.2
83.00562	1.7
83.01247	3.7
85.02826	21.1
87.00761	7.1
89.02325	3.2
91.95520	1.9
95.01196	1.8
96.95882	100.0
97.02830	4.9
98.95540	2.2
99.00761	10.9
101.02331	5.5
107.04940	3.1
111.00766	3.3
111.04414	5.0
113.02306	6.8
115.00256	26.2
119.04939	6.6
121.06478	8.1
133.06456	2.0
138.97020	1.9
139.00269	2.3
149.05978	6.2
151.07610	2.2
157.01302	4.3
163.03935	4.4
173.09578	2.7
173.13359	1.9
175.02391	19.7
177.05487	46.3
187.11203	3.1
187.14862	3.4
189.09103	1.9
199.11157	2.5
201.12953	1.9
203.02032	1.8
203.14456	2.6
213.12753	2.5
215.10680	3.6
217.12302	8.4
231.10223	2.8
231.13907	9.4
247.13516	3.9
254.31665	2.1
259.01337	9.8
261.11279	5.9
269.15628	3.9
275.09824	2.9
275.12885	21.0
289.10828	4.3
289.14175	2.6
291.12329	5.2
295.09158	7.1
316.07849	8.2
316.58017	2.4
317.08658	22.7
319.11838	67.4
320.12366	7.1
321.13422	4.9
333.13309	3.1
337.03787	2.6
337.12790	4.0
337.61087	2.0
354.85712	1.8
355.05267	4.3
357.06445	6.3
377.12354	43.9
378.12628	5.3
419.13409	8.2
437.14450	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	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.3
57.03309	0.4
59.01250	6.1
61.98708	0.3
69.48203	0.8
69.48621	1.3
71.01247	5.3
72.99184	0.3
73.02828	0.9
74.97073	0.3
80.68884	0.2
83.01253	0.6
85.02830	1.4
87.00733	0.6
89.02312	4.1
95.01254	0.3
96.37542	0.3
96.95841	0.5
97.02840	0.3
101.02325	5.1
113.02334	2.5
119.03378	1.1
122.89297	0.4
124.39452	0.3
125.87203	0.5
126.88005	1.7
132.31555	0.3
133.04971	0.3
140.87756	0.2
143.03384	0.7
157.86182	0.9
161.04428	1.3
179.05560	0.5
194.92801	0.5
199.16963	100.0
200.17317	4.6
235.08202	1.5
253.09267	14.5
254.09518	0.6
287.01398	1.1
301.02979	3.6
302.03323	0.4
334.38492	0.3
345.72382	0.2
352.91992	0.3
363.12717	0.3
399.10287	0.7
435.07791	1.2
435.27640	0.6
436.06970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53571	0.4
58.00412	0.4
59.01250	100.0
60.01593	1.4
61.98693	0.4
71.01265	2.0
71.57009	0.4
71.57386	0.5
72.99199	0.7
73.02808	0.6
78.47446	0.4
78.53203	0.4
78.62193	0.3
87.00736	0.5
87.04389	1.3
89.02330	0.7
96.95877	2.3
101.02348	1.2
108.66085	0.4
113.02325	0.6
119.03425	0.7
135.04405	0.6
139.03923	1.4
149.00641	0.4
158.96808	0.4
161.04529	0.5
206.09944	0.4
273.20944	0.4
333.19171	1.0
435.26526	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	435.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94656	0.7
70.01946	3.8
78.95773	50.3
86.74624	0.7
96.96843	5.3
102.98804	0.8
111.34844	0.7
112.21325	0.7
150.97910	2.1
152.99484	100.0
153.99860	1.0
165.34734	0.7
171.00539	3.2
255.22853	0.8
281.24744	1.0
347.70996	0.8
435.25168	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	435.2519
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
59.01239	0.4
69.52923	0.2
75.94391	0.3
78.95776	54.6
96.96845	6.2
110.98428	0.9
150.97916	1.8
152.99490	100.0
153.99809	1.4
167.01076	0.4
171.00557	4.3
185.02112	0.5
250.43706	0.3
267.23282	11.0
268.23553	1.0
281.24921	1.2
430.59250	0.3
435.25101	8.4
436.25632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	HC-toxin
Peak:m/z	Relative Intensity
55.01757	1.1
57.03322	1.5
58.00460	0.7
59.01254	31.6
60.01585	0.8
61.01665	0.3
68.99682	0.4
69.03325	0.7
69.82042	0.7
69.82460	0.8
71.01255	11.2
71.04904	1.3
72.99174	1.2
73.02826	4.3
79.95634	0.4
80.96402	0.5
83.01265	3.4
83.04908	0.4
85.02824	6.0
85.06467	0.4
85.99976	0.9
87.00767	2.3
89.02318	1.7
95.01261	1.3
96.95264	0.5
96.95893	9.4
97.02828	0.9
99.00768	1.6
101.01686	0.5
101.02328	7.1
107.01316	0.3
111.00775	0.6
111.04420	0.4
112.01567	0.4
113.02341	3.2
113.09592	0.6
119.03413	0.5
124.01555	0.7
125.02313	1.3
143.10658	0.5
147.08014	0.3
151.00256	0.3
153.05496	0.4
167.14320	0.8
168.04179	0.7
173.09637	5.4
174.09946	0.5
181.30550	0.3
183.13863	0.7
185.15404	3.1
191.03445	0.4
191.05594	0.4
192.04224	0.6
201.09171	1.6
207.06508	0.7
208.03760	0.4
213.14928	4.1
223.06087	0.5
229.14343	0.5
231.16005	14.2
232.16347	0.9
245.08179	2.0
247.09708	2.2
255.15974	0.3
273.02948	0.4
273.17029	0.6
301.03162	0.4
302.03455	1.0
303.04001	0.8
355.00424	0.4
355.04932	12.9
356.05194	1.5
357.19272	2.1
375.20236	16.5
376.20407	1.3
380.31442	0.3
393.21310	33.9
394.21606	2.8
417.21179	0.4
435.22336	100.0
436.22675	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	435.2231
Annotation	HC-toxin
Peak:m/z	Relative Intensity
55.01763	0.5
56.09052	0.3
57.03294	0.4
59.01247	100.0
60.01596	0.9
60.16784	0.3
61.89168	0.3
71.01247	4.8
71.29682	0.3
71.30047	0.7
72.99194	0.5
73.02822	2.1
75.00723	0.4
83.01263	1.2
83.10539	0.3
85.02810	3.0
87.00764	0.6
87.04385	17.4
88.04733	0.5
89.02318	0.9
95.01279	0.4
96.95881	3.3
99.00763	1.1
101.02309	4.4
113.02324	2.6
123.72861	0.3
125.02371	0.3
130.77994	0.3
134.62555	0.3
159.02893	0.6
161.04480	1.1
161.61073	0.3
167.03381	0.8
173.09622	0.5
191.05585	0.5
216.94286	0.3
224.78151	0.4
265.43164	0.3
273.07666	1.0
305.15915	0.4
331.20895	0.3
333.19128	2.0
355.04868	1.2
375.19803	1.5
375.24210	0.5
393.21207	1.1
417.21106	1.5
435.22284	31.4
436.22482	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75816	0.4
58.14970	0.4
59.01253	53.5
60.01582	0.6
66.48573	0.5
71.01244	2.5
71.35643	0.6
71.35995	0.7
72.99178	0.4
73.80325	0.4
75.00721	0.5
85.02811	1.0
89.02330	1.0
96.95879	0.6
101.02322	2.0
113.02320	2.9
119.03374	1.5
121.50178	0.4
136.97971	0.5
161.04454	0.7
172.16132	0.5
183.13847	8.5
184.14227	0.4
195.13832	7.5
213.14911	100.0
214.15282	5.8
227.16486	0.8
249.15091	0.7
255.15974	1.4
286.68192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72601	0.4
55.01755	2.8
57.03324	5.1
58.00463	2.9
59.01251	100.0
60.01584	0.9
69.03328	1.4
71.01254	79.2
71.04904	0.4
71.58701	0.7
72.01585	1.5
72.99184	4.5
73.02821	15.9
75.00734	1.1
79.95607	0.4
81.03361	0.5
83.01260	7.2
84.02048	0.5
85.02824	26.7
85.99973	1.4
86.03175	0.4
87.00754	5.3
87.04388	6.2
89.02316	50.9
90.02670	0.6
95.01263	5.9
95.04902	0.5
96.95889	7.3
97.02837	1.6
98.95470	1.1
99.00751	5.8
99.72760	0.4
101.02323	52.7
101.05968	0.6
101.62300	0.3
102.02660	1.1
104.16940	0.3
113.02331	32.5
113.05985	0.4
114.02677	0.6
119.03387	24.9
121.02907	0.4
121.06536	0.4
125.02363	1.6
129.01846	0.9
131.03387	2.6
133.02858	0.4
135.04378	1.0
139.11128	0.4
143.03401	6.9
145.32132	0.3
147.11763	0.6
149.04483	1.7
155.64017	0.3
159.02902	4.8
159.06538	3.8
161.02345	1.3
161.04463	28.8
162.04799	0.7
165.12802	0.8
179.05534	11.9
180.05850	0.4
183.13834	1.3
191.05518	2.1
193.05002	0.9
205.03529	1.1
229.14500	1.6
249.09810	1.4
253.14491	0.4
271.19147	11.0
272.19543	0.6
319.17511	3.2
345.19189	4.1
346.19876	0.4
373.18704	1.1
391.14389	0.6
391.19897	1.3
413.39230	0.4
415.23715	0.7
419.33163	0.4
433.24683	43.4
434.25085	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	434.2182
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
51.64484	0.7
58.02847	15.2
59.01248	29.2
60.01575	1.3
62.92967	0.6
67.75175	0.6
70.02843	4.7
71.01239	2.2
71.22163	1.3
72.00772	7.3
85.02818	0.8
87.00751	0.9
91.05408	1.8
92.06320	0.6
98.05895	0.7
99.00724	0.7
101.02335	1.2
105.03320	0.7
113.02332	1.0
115.91923	0.6
118.06499	1.2
133.02797	0.6
135.04465	0.8
137.10535	0.6
147.04414	34.1
148.04721	2.0
156.91185	0.6
160.54622	0.6
162.09070	0.6
163.03648	0.6
164.07071	99.3
165.07423	4.8
177.01840	8.9
206.08151	37.5
207.08475	2.0
209.11697	1.2
212.13834	0.8
213.14839	0.7
225.14896	4.3
227.12848	4.9
229.14507	3.2
230.14632	3.3
323.18808	0.6
355.07587	0.8
356.18668	1.4
372.21671	2.4
374.19580	8.3
375.19852	0.8
416.20737	7.5
417.20932	1.2
434.21777	100.0
435.21851	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72601	0.4
55.01755	2.8
57.03324	5.1
58.00463	2.9
59.01251	100.0
60.01584	0.9
69.03328	1.4
71.01254	79.2
71.04904	0.4
71.58701	0.7
72.01585	1.5
72.99184	4.5
73.02821	15.9
75.00734	1.1
79.95607	0.4
81.03361	0.5
83.01260	7.2
84.02048	0.5
85.02824	26.7
85.99973	1.4
86.03175	0.4
87.00754	5.3
87.04388	6.2
89.02316	50.9
90.02670	0.6
95.01263	5.9
95.04902	0.5
96.95889	7.3
97.02837	1.6
98.95470	1.1
99.00751	5.8
99.72760	0.4
101.02323	52.7
101.05968	0.6
101.62300	0.3
102.02660	1.1
104.16940	0.3
113.02331	32.5
113.05985	0.4
114.02677	0.6
119.03387	24.9
121.02907	0.4
121.06536	0.4
125.02363	1.6
129.01846	0.9
131.03387	2.6
133.02858	0.4
135.04378	1.0
139.11128	0.4
143.03401	6.9
145.32132	0.3
147.11763	0.6
149.04483	1.7
155.64017	0.3
159.02902	4.8
159.06538	3.8
161.02345	1.3
161.04463	28.8
162.04799	0.7
165.12802	0.8
179.05534	11.9
180.05850	0.4
183.13834	1.3
191.05518	2.1
193.05002	0.9
205.03529	1.1
229.14500	1.6
249.09810	1.4
253.14491	0.4
271.19147	11.0
272.19543	0.6
319.17511	3.2
345.19189	4.1
346.19876	0.4
373.18704	1.1
391.14389	0.6
391.19897	1.3
413.39230	0.4
415.23715	0.7
419.33163	0.4
433.24683	43.4
434.25085	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
62.96265	0.2
70.15746	1.0
78.95773	71.7
96.96841	6.3
96.97485	0.4
98.20467	0.2
150.97906	1.6
152.99483	100.0
153.99783	1.6
167.85901	0.2
171.00548	3.0
203.52328	0.2
204.12688	0.2
229.00046	0.2
236.58778	0.2
237.59593	0.2
248.22392	0.2
257.15720	0.2
279.23273	1.3
433.23605	11.0
434.24100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01569	1.2
63.02292	0.2
65.00192	0.5
69.29479	1.6
69.29903	0.8
70.50833	0.2
71.01246	4.2
73.02803	1.2
83.01247	0.7
85.02827	1.2
87.00754	0.2
89.02303	3.7
95.01295	0.4
96.95876	2.2
98.20580	0.5
98.95454	1.3
101.02318	2.0
107.00651	0.3
107.01231	1.4
108.02066	0.6
109.02827	1.1
113.02338	1.3
119.01273	0.3
119.03365	1.1
121.02843	1.1
123.00780	0.2
125.02325	0.3
135.00772	0.5
138.03076	0.2
143.03395	0.4
148.01567	0.6
149.02306	0.3
151.00258	5.1
153.05457	0.6
156.87334	0.2
161.02338	0.2
161.04494	0.5
161.20802	0.2
163.00246	1.4
164.00732	0.3
165.02028	0.2
167.04846	0.3
168.04181	0.8
169.01332	0.3
176.01048	0.3
177.01698	0.3
178.99767	2.7
179.03491	0.5
179.05522	0.8
183.04466	0.3
191.03334	0.2
191.05537	0.5
192.04222	0.7
193.01309	0.4
194.05794	0.3
207.06656	0.6
208.03667	0.4
209.08055	0.6
211.03877	0.7
211.13414	0.5
215.03404	0.2
216.04173	0.3
223.06085	0.9
226.02663	0.5
227.03448	1.2
229.05057	0.4
243.02948	3.9
244.03395	0.4
245.04507	0.9
254.02109	0.5
255.02940	9.4
256.03342	0.6
271.02451	17.7
272.02811	2.0
273.04044	0.5
283.02411	0.7
299.02029	0.8
300.02707	28.4
301.03464	28.3
302.03854	2.5
331.17630	0.8
332.12625	0.2
373.18692	0.6
391.19760	0.6
433.07709	11.4
433.20349	3.3
434.07849	1.6
434.20786	0.4
445.92932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15366	0.2
62.39006	0.2
62.96320	0.2
69.47020	0.7
69.47448	0.9
78.95777	52.9
93.47726	0.2
96.96845	6.3
150.97934	1.7
152.99493	100.0
153.99838	1.6
171.00574	3.4
193.80513	0.2
201.87048	0.2
279.23212	1.0
307.52441	0.2
339.00610	0.3
371.97159	0.2
386.06317	0.2
433.23624	5.5
434.23874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53904	0.2
59.01242	0.4
62.96262	0.2
66.77740	0.2
69.41277	1.2
76.15762	0.2
78.95774	46.4
96.96838	6.6
98.20611	0.2
105.15430	0.2
127.19519	0.2
130.05092	0.2
150.97934	2.0
152.99487	100.0
153.99840	1.5
171.00562	4.2
185.97522	0.1
197.53035	0.2
215.51184	0.1
279.23257	1.1
312.29318	0.1
408.72339	0.2
433.23593	3.7
434.23877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48362	0.2
52.95220	0.2
57.90314	0.2
59.01245	0.3
60.37020	0.2
61.57835	0.2
62.96263	0.2
71.06767	0.3
71.07095	0.4
73.19253	0.2
76.73871	0.2
78.95775	54.2
85.00468	0.2
96.96842	6.5
130.26120	0.2
150.97945	1.9
152.99490	100.0
153.99841	1.7
171.00568	4.2
224.66396	0.2
279.23325	0.7
433.23569	6.0
433.29138	0.4
434.24084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.3
59.12354	0.3
69.88508	0.2
70.10955	1.1
78.95778	58.9
96.96841	5.1
98.19806	0.4
109.56317	0.3
150.97902	1.8
152.99493	100.0
153.99840	1.5
160.86124	0.3
171.00539	3.2
222.71843	0.3
279.23196	1.4
349.52359	0.3
433.23615	7.8
434.24017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.0
61.86072	0.5
69.03333	0.6
69.39616	4.8
71.01254	7.9
71.04883	0.6
73.02816	5.5
83.01273	2.2
85.02820	2.9
87.00771	0.7
89.02335	2.3
96.95895	3.7
98.20485	1.2
99.00760	0.6
101.02325	7.9
108.02056	5.3
113.02347	5.1
119.03426	0.7
119.30795	0.4
123.00759	0.7
123.04427	2.8
125.02350	1.0
131.03424	0.7
139.00290	0.9
139.03888	0.5
143.03404	0.8
149.04442	0.6
152.01048	6.4
161.04521	2.1
167.03410	12.9
168.03828	0.6
171.82565	0.5
178.02672	0.7
188.01527	0.5
191.05585	1.4
197.11755	0.7
211.13348	0.9
255.03000	0.9
257.04492	0.5
283.02588	0.9
289.23859	1.5
373.12967	1.6
373.18222	0.9
418.12735	0.7
433.15771	3.4
433.20953	1.4
433.28329	1.6
434.20554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83480	0.2
59.01247	100.0
60.01584	1.1
69.75692	1.6
71.01255	3.0
72.99176	0.2
73.02815	1.5
83.01301	0.5
85.02825	0.7
89.02298	1.6
96.95919	0.7
98.19823	0.5
98.95458	0.3
101.02316	2.3
113.02330	1.5
119.03373	0.9
120.40044	0.3
125.40317	0.3
127.41457	0.3
135.80688	0.3
151.00339	0.3
158.05061	0.3
161.04472	1.3
229.14403	0.4
261.32526	0.3
300.02768	0.3
301.03506	0.8
373.18735	0.3
391.19839	0.4
433.20813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62501	0.7
59.01249	73.6
61.23030	0.8
65.81905	0.7
69.03323	1.1
71.01254	4.8
73.02821	1.9
83.04924	0.9
85.02821	2.0
89.02313	3.8
95.01289	1.0
98.19749	1.7
101.02311	3.4
109.02849	0.9
113.02334	6.4
119.03377	1.4
121.48602	0.7
123.80270	0.9
161.04463	0.9
163.11214	0.9
169.58986	0.7
181.12257	9.1
185.00818	1.1
193.12256	11.2
197.11818	1.6
205.12207	1.1
211.13335	100.0
212.13632	3.9
225.14984	0.8
235.13519	0.7
253.14404	2.3
261.80780	0.8
426.81564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
57.03310	1.3
58.00477	1.1
59.01252	76.0
60.01597	0.9
69.03340	0.9
71.01254	26.5
71.04906	0.7
72.99195	1.7
73.02817	22.0
81.03347	0.5
83.01260	5.5
85.02821	5.0
87.00759	2.7
89.02318	10.0
95.01289	1.8
96.95886	0.7
97.02834	1.0
98.20666	0.7
99.00750	0.8
101.02324	22.4
111.04449	0.6
113.02335	8.1
115.03879	4.1
119.03394	3.2
119.04124	0.6
125.02370	1.1
127.07438	0.7
131.03444	0.5
143.03404	0.9
147.70445	0.5
155.03436	0.6
161.04486	1.7
193.12271	1.1
211.13353	17.2
212.13629	1.6
221.10118	0.5
229.14362	5.1
230.14935	0.7
230.18912	0.7
271.02573	0.7
373.13519	0.9
373.18530	8.1
374.19229	0.7
391.19702	21.3
391.24777	1.0
392.20062	1.6
433.20737	100.0
434.21054	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86920	0.4
52.66823	0.5
53.64545	0.4
54.61560	0.4
54.62125	0.4
59.01251	100.0
60.01578	0.9
60.29054	0.5
69.13583	0.4
71.06685	0.8
101.02311	0.5
148.01465	0.5
161.04482	0.5
181.04988	3.9
191.05937	0.6
196.07359	4.4
199.07152	0.4
203.00595	0.5
211.09729	5.9
216.01695	0.5
223.05626	0.5
350.95724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35007	5.0
57.03312	5.8
59.01247	100.0
61.04090	5.9
70.91623	9.4
71.01257	52.5
72.99158	7.7
73.02796	7.2
75.00741	14.4
75.66610	5.7
78.95753	5.7
83.01313	7.8
85.02822	13.7
87.00736	7.0
89.02322	49.1
96.36198	6.1
96.95894	17.1
101.02321	36.6
113.02322	19.6
119.03383	14.4
121.18844	5.1
152.08260	5.8
161.04446	21.8
168.55492	6.3
179.05496	16.9
189.12761	6.0
201.66701	5.4
253.14439	11.2
290.87952	6.0
387.20230	38.4
433.20972	66.5
434.20511	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	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
56.25686	0.3
59.01248	100.0
60.01590	0.9
63.24089	0.4
65.56869	0.4
66.52283	0.3
69.42700	0.4
69.97447	0.3
71.01251	8.7
72.99190	0.5
73.02825	4.1
82.36169	0.5
83.01264	1.8
85.02814	2.8
87.00764	0.8
87.63910	0.4
89.02313	3.1
95.01266	0.6
96.85400	0.4
96.95879	7.7
98.95457	0.6
99.00776	0.7
101.02317	5.3
106.51314	0.4
113.02325	3.7
119.03368	0.9
153.01833	0.6
159.02953	0.5
161.04448	1.5
165.76051	0.4
373.18417	1.0
373.22311	3.9
391.19528	1.3
391.24023	2.3
415.19769	1.3
418.12631	0.5
433.20718	21.9
434.20941	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	433.0932
Annotation	2,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
51.82508	0.5
59.01253	6.8
61.98682	1.9
63.02264	1.0
65.00188	3.5
69.89137	1.2
69.89553	1.9
71.01260	3.0
73.02815	1.4
79.95599	0.7
83.01251	1.6
85.02828	1.5
87.00723	1.0
89.02286	0.7
93.03338	1.3
96.95900	3.3
99.00748	0.6
101.02312	1.7
105.03353	1.1
107.01262	4.7
113.02303	1.8
114.67387	0.6
115.05420	0.5
119.04926	1.1
121.02901	1.2
125.02345	1.4
131.04922	0.8
132.01993	0.5
133.02844	1.3
135.04361	0.8
139.63939	0.5
143.04910	1.5
145.02824	1.7
145.06433	0.5
147.04414	2.7
149.02361	3.0
149.05948	0.6
151.00282	10.4
159.04442	0.9
161.02347	0.9
161.05983	0.8
164.01077	0.9
167.04944	1.0
167.67120	0.5
169.06439	0.7
171.04427	2.2
174.93362	0.6
177.01889	1.0
179.03516	0.7
183.04430	1.7
185.05980	2.3
187.03929	1.8
189.05524	2.0
191.05478	1.2
199.03934	0.5
203.03520	0.6
211.03976	1.0
213.05513	1.5
215.03450	0.8
217.04994	0.6
227.03383	1.7
229.05016	2.2
251.07137	1.4
255.02972	60.3
256.03662	15.0
257.04541	43.2
258.04761	2.5
259.02393	1.4
271.19040	0.6
272.03253	0.7
273.03952	3.1
283.02481	100.0
284.03192	35.8
284.06534	0.8
285.03741	4.3
301.03534	15.3
302.03812	1.1
333.07614	0.6
403.08102	5.7
433.09360	12.6
433.24026	2.6
434.09619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0929
Annotation	Sinaticin
Peak:m/z	Relative Intensity
59.01251	6.0
63.02267	1.4
65.00191	2.9
70.29809	2.3
75.00736	1.3
75.54939	0.6
80.08995	0.6
83.01255	1.1
85.02798	1.0
88.55173	0.6
89.02327	0.7
96.95901	4.1
99.00737	1.2
101.02336	0.6
107.01269	3.7
113.02265	0.7
117.03454	0.6
119.04848	0.8
121.02829	0.7
125.02338	1.3
131.04929	1.1
132.02068	1.4
133.02849	12.8
147.04390	0.7
149.02351	3.2
149.05934	1.1
151.00278	11.9
155.04930	1.4
158.75406	0.6
171.04414	0.9
174.93292	1.3
175.03952	4.3
182.03667	0.8
183.04463	2.6
184.95355	1.1
187.03816	1.1
192.22913	0.6
192.95866	1.2
197.11766	1.2
199.03888	4.0
201.01857	1.2
213.05441	0.7
217.04997	1.1
227.03380	3.3
237.05579	1.3
241.04988	1.5
243.02963	1.3
244.97603	1.7
255.02974	79.6
256.03717	39.2
256.07767	0.9
257.04190	2.3
267.03021	0.7
281.04614	0.8
283.02484	99.5
284.03235	88.1
285.04031	100.0
286.04361	8.0
309.03873	1.0
326.04199	1.2
327.04846	1.0
352.73685	0.6
373.07196	1.4
375.04727	0.7
375.08923	1.1
401.06555	2.2
403.08264	2.1
404.21228	1.6
415.08273	7.1
415.19791	1.1
416.08807	1.0
418.06866	1.7
433.09280	24.7
433.18558	5.9
433.69437	3.2
434.09570	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	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03214	0.3
59.01246	8.4
60.01584	0.3
63.02254	0.7
65.00195	3.7
69.41096	1.0
69.41516	1.6
70.81152	0.3
71.01247	1.9
72.99174	0.4
73.02819	1.5
74.97120	0.3
81.42566	0.3
83.01247	2.0
85.02816	1.0
87.00735	0.3
89.02308	1.2
93.03320	0.3
96.95889	0.3
98.20515	0.5
99.00755	0.4
101.02334	1.5
107.01265	6.2
111.00755	0.7
113.02289	0.9
119.03378	0.5
119.04843	0.4
125.02317	1.0
128.16760	0.2
129.05438	0.4
143.58940	0.3
148.01566	2.2
149.02350	6.3
149.99496	0.6
151.00266	14.4
152.00659	0.3
159.93001	0.3
161.04483	0.4
166.02638	0.3
166.25531	0.3
168.81822	0.2
169.01323	0.4
174.03087	0.3
176.73198	0.3
177.01831	0.5
179.05377	0.3
193.01353	0.3
201.01924	0.3
203.03410	0.7
211.13255	0.4
214.02505	0.4
215.03496	0.5
216.04163	0.3
227.03471	0.6
228.04282	0.6
229.01540	0.3
229.14441	0.4
230.02107	0.6
231.02899	0.4
243.02913	1.5
255.02898	0.3
271.02548	1.7
271.06104	1.2
272.03104	1.3
283.02402	1.0
299.01947	1.1
300.02716	100.0
301.03360	17.0
302.03729	1.1
304.02551	0.3
353.90167	0.3
373.18869	1.4
391.19736	2.3
432.19269	0.3
433.07706	45.1
433.20392	6.5
434.08051	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58139	1.3
59.01249	100.0
60.01556	1.3
69.74533	3.3
69.74945	5.1
71.01228	1.5
78.95775	17.6
85.08276	1.2
96.95885	3.1
103.46032	1.1
150.37038	1.3
152.99486	28.2
371.20602	2.3
426.74042	1.4
431.22028	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	431.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51572	0.4
57.03303	0.9
57.22882	0.4
58.00462	1.1
59.01249	6.6
61.08329	0.4
69.03297	0.5
71.01238	1.2
71.29892	0.7
78.95761	1.1
85.02841	0.4
87.04382	0.7
96.95899	3.1
98.95487	2.2
98.96102	0.4
109.90049	0.4
122.16981	0.4
125.09647	0.8
127.11192	6.7
152.99493	1.2
155.10677	0.8
157.12263	4.1
161.04483	0.4
167.14308	3.0
169.12260	0.4
169.15857	2.0
181.15857	0.6
183.14000	0.4
185.15471	0.6
195.13918	0.6
197.15401	2.4
213.14929	5.0
214.15312	0.7
219.50092	0.4
222.34386	0.4
225.14938	1.0
237.18561	3.3
241.14397	1.0
243.15984	9.0
253.18086	1.2
255.19620	3.3
257.17438	0.6
267.19666	0.8
269.67368	0.4
271.19220	0.5
273.20786	0.9
301.20230	0.8
319.08359	0.7
331.21051	0.5
334.10559	0.8
371.20923	1.0
377.30502	1.0
395.31754	0.9
411.31308	1.4
413.32660	7.0
414.32919	0.9
429.32211	8.2
430.32535	1.1
431.33749	100.0
432.34122	10.7
438.42813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
56.55058	0.5
57.03313	0.9
57.65505	0.4
58.00458	0.9
59.01249	100.0
60.01575	1.0
66.27084	0.4
69.03336	1.1
70.82869	0.9
70.83206	0.6
70.92716	0.4
71.01254	30.9
72.99191	1.4
73.02818	32.8
75.00766	0.6
79.95620	0.6
83.01257	8.0
85.02824	5.4
87.00766	1.8
89.02313	11.0
93.03307	0.5
95.01284	1.6
96.95885	6.7
97.02842	0.4
98.95487	1.8
98.96307	0.5
99.00774	0.9
101.02320	29.9
111.08050	2.0
113.02332	14.0
114.12484	0.5
119.03374	5.2
125.02376	1.3
131.03380	2.5
137.02367	1.2
143.03398	3.9
149.04449	3.2
153.09109	9.8
153.10257	0.6
155.03403	1.2
155.10774	0.5
161.04459	7.3
179.05550	1.9
191.14389	1.6
192.88251	0.4
203.05576	0.9
208.66847	0.5
209.15416	8.9
210.15784	0.8
221.06668	1.0
227.16432	1.1
245.33942	0.6
251.16528	4.0
308.58521	0.6
341.17297	0.6
349.56973	0.7
371.16876	0.6
371.20944	2.4
389.21869	2.6
431.23169	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	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	1.1
69.61061	1.5
69.61487	1.2
71.01260	2.7
79.95617	0.5
85.02828	0.9
89.02310	4.3
95.04757	0.4
96.95879	12.1
96.96494	0.6
97.05141	0.3
98.19814	0.4
98.26758	0.3
98.95487	2.5
98.96351	0.4
101.02329	2.7
113.02346	1.7
119.03414	2.5
131.23363	0.3
161.04468	0.5
178.93819	0.4
179.05551	1.4
339.05475	0.5
412.30212	0.4
440.22739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61820	0.3
55.01752	1.4
57.03339	1.8
58.00457	0.5
59.01250	100.0
60.01600	1.0
69.03345	0.7
70.72697	0.5
70.73040	1.0
71.01254	27.5
71.04903	0.4
72.99178	1.0
73.02821	10.0
75.00727	0.5
79.95612	0.7
83.01265	3.7
83.04887	0.7
85.02821	11.3
85.99960	0.6
87.00755	2.3
89.02318	8.0
95.01279	1.6
96.95894	9.9
97.02840	0.6
98.95497	2.6
99.00760	3.1
99.04410	1.5
101.02322	16.9
107.04906	0.5
113.02332	11.6
116.82551	0.4
119.03374	3.2
125.02363	0.8
126.41212	0.4
129.05495	0.7
131.03366	0.4
137.09648	0.9
143.03410	2.5
153.09113	0.4
159.02911	1.9
161.04472	17.0
162.04778	0.6
165.12766	5.9
166.13197	0.4
168.61209	0.4
173.09660	0.5
179.05579	1.5
203.05597	1.6
207.13817	3.1
209.11736	3.4
209.15390	3.1
225.14893	0.5
227.12907	0.5
227.16473	3.0
251.12880	5.0
269.13931	12.4
270.14267	0.8
309.86438	0.4
356.51093	0.4
371.20801	6.5
371.25058	0.7
389.21814	10.7
390.22470	0.9
421.57803	0.4
431.22885	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
56.55058	0.5
57.03313	0.9
57.65505	0.4
58.00458	0.9
59.01249	100.0
60.01575	1.0
66.27084	0.4
69.03336	1.1
70.82869	0.9
70.83206	0.6
70.92716	0.4
71.01254	30.9
72.99191	1.4
73.02818	32.8
75.00766	0.6
79.95620	0.6
83.01257	8.0
85.02824	5.4
87.00766	1.8
89.02313	11.0
93.03307	0.5
95.01284	1.6
96.95885	6.7
97.02842	0.4
98.95487	1.8
98.96307	0.5
99.00774	0.9
101.02320	29.9
111.08050	2.0
113.02332	14.0
114.12484	0.5
119.03374	5.2
125.02376	1.3
131.03380	2.5
137.02367	1.2
143.03398	3.9
149.04449	3.2
153.09109	9.8
153.10257	0.6
155.03403	1.2
155.10774	0.5
161.04459	7.3
179.05550	1.9
191.14389	1.6
192.88251	0.4
203.05576	0.9
208.66847	0.5
209.15416	8.9
210.15784	0.8
221.06668	1.0
227.16432	1.1
245.33942	0.6
251.16528	4.0
308.58521	0.6
341.17297	0.6
349.56973	0.7
371.16876	0.6
371.20944	2.4
389.21869	2.6
431.23169	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	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03308	0.7
58.00468	0.4
59.01248	100.0
60.01583	1.1
71.01250	9.8
72.99165	0.5
73.02811	3.3
79.95598	0.3
83.01263	1.3
85.02822	4.4
87.00742	1.0
89.02317	3.2
95.01278	0.7
96.95884	9.6
97.02855	0.3
98.19767	0.6
98.95479	1.1
99.00764	1.6
101.02323	8.9
113.02312	3.4
119.03399	1.1
143.03406	0.8
158.67973	0.3
159.02950	0.8
159.26302	0.3
161.04462	6.5
171.10370	0.2
209.15479	1.1
331.98724	0.2
371.20721	15.8
372.21124	1.6
381.48297	0.2
431.08954	0.4
431.22992	0.4
432.59308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
56.11248	0.2
59.01240	1.0
69.27188	2.3
72.90328	0.3
78.95771	49.0
88.69866	0.2
89.29370	0.3
96.96835	6.1
98.20641	0.4
149.47353	0.2
150.60277	0.3
150.97911	1.5
152.99480	100.0
153.99829	1.2
171.00548	4.2
277.21744	0.7
431.21933	5.5
432.22220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90984	0.2
55.52147	0.2
55.55937	0.2
62.96281	0.3
70.18848	1.1
76.10358	0.3
78.95775	50.9
95.58140	0.3
96.96843	6.2
98.15855	0.2
115.37972	0.3
117.07176	0.3
150.97893	1.7
152.99487	100.0
153.99843	1.1
161.17818	0.3
171.00554	3.8
277.21707	0.7
324.63547	0.3
359.84058	0.3
431.21997	5.7
432.22382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83859	0.3
59.01241	0.9
59.86318	0.2
64.38210	0.2
70.26528	0.9
78.95775	50.4
96.96835	6.5
115.11012	0.2
150.97946	1.5
152.99487	100.0
153.99844	1.4
171.00552	4.0
239.55954	0.2
277.21716	0.7
431.21979	4.6
432.22290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84879	0.2
52.27068	0.2
53.86617	0.2
59.01244	2.5
60.60427	0.2
62.96294	0.3
70.76085	0.2
71.07280	0.4
78.95773	69.6
84.77392	0.2
96.95882	0.5
96.96832	6.2
104.52573	0.2
104.99633	0.2
150.97919	1.9
152.99481	100.0
153.56013	0.2
153.99828	1.4
171.00557	3.2
277.21719	1.3
431.21997	8.6
431.27917	0.4
432.22311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12411	0.4
53.36834	0.3
57.03343	1.7
59.01254	24.8
69.03330	1.4
69.78626	2.0
71.01260	7.9
71.04910	0.4
72.99162	0.6
73.02820	9.8
73.35612	0.3
79.95615	0.4
83.01259	2.4
83.04906	0.6
85.02835	1.4
89.02339	1.4
92.01051	0.3
93.03343	0.4
96.95892	8.6
97.02833	0.4
97.06450	0.4
98.19807	0.4
98.95475	1.7
99.00789	0.3
101.02330	7.3
103.24958	0.3
109.06493	0.5
111.08062	3.4
113.02338	2.6
116.26421	0.3
119.03413	0.5
125.02351	1.3
131.03448	0.5
143.03444	0.8
149.04408	0.7
155.03407	1.2
161.04451	1.6
163.11302	0.4
165.12769	35.7
166.13097	2.7
173.39157	0.4
177.63815	0.4
181.12234	0.8
183.13835	70.9
184.14169	4.1
191.05481	0.5
191.10677	0.9
192.09804	0.3
197.15428	1.9
203.05559	1.5
207.13841	3.8
209.11766	4.0
221.06532	0.4
225.14914	1.3
227.12846	100.0
228.13202	5.7
241.14487	0.5
249.14897	0.6
251.12872	11.2
252.13345	0.5
252.16078	0.4
254.17664	0.5
263.12863	1.3
268.03815	0.6
269.04535	0.6
269.14059	2.2
272.18695	1.2
281.13501	0.4
293.13971	2.0
308.62393	0.3
309.58514	0.6
335.14880	0.9
371.20609	0.4
372.27618	1.8
431.19104	1.5
432.19009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32219	0.2
59.01239	1.3
64.05891	0.2
70.26598	0.9
70.26945	0.2
78.95771	57.2
96.96828	6.3
99.04374	0.3
99.65265	0.2
117.88458	0.2
149.06856	0.2
150.97911	1.7
152.11143	0.2
152.99480	100.0
153.99802	1.6
171.00560	3.7
277.21677	0.7
431.21964	5.3
432.22238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64488	0.5
55.01756	1.8
57.03322	1.5
58.00469	0.6
59.01251	100.0
60.01580	1.5
69.03333	2.5
69.65176	1.3
69.65598	2.3
71.01255	21.3
71.01656	1.0
72.99176	1.0
73.02819	95.9
74.03149	1.4
83.00790	0.8
83.01254	5.2
83.04893	0.6
85.02828	6.8
87.00764	0.8
89.02315	10.4
94.12357	0.5
95.01264	1.2
96.95899	5.7
98.95490	0.6
99.00766	2.0
101.02321	19.0
102.02731	0.5
109.06486	2.3
111.00802	0.7
113.02334	13.4
119.03404	3.5
119.24876	0.5
125.02356	0.5
125.06010	1.0
131.03384	1.2
135.08063	4.8
143.03374	1.6
149.04440	1.0
161.04468	3.8
165.12776	0.6
179.05542	1.6
200.84726	0.6
209.11754	3.9
227.12920	0.8
231.16000	2.1
263.11334	1.9
269.13895	0.9
276.45956	0.5
323.95724	0.6
345.18930	1.6
357.15512	0.7
371.17001	3.2
389.18134	6.5
390.18658	0.9
394.58234	0.5
413.17984	0.9
431.19199	75.7
432.19592	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.1
59.01250	58.5
60.01579	1.6
69.03333	1.0
70.45466	1.1
70.45869	1.2
71.01252	15.9
72.99169	1.1
73.02818	100.0
74.03135	0.8
76.81903	0.6
80.70246	0.6
83.01257	3.6
85.02827	4.5
85.03269	0.7
87.00771	1.1
87.35847	0.6
89.02319	7.7
95.01257	0.7
96.95889	4.4
97.02857	0.6
99.00745	1.2
101.02323	13.3
106.75365	0.6
113.02333	7.0
119.03394	2.6
125.02365	0.8
127.25867	0.7
135.08066	6.8
143.03378	1.6
144.31625	0.7
149.04395	1.0
161.04456	3.3
179.05504	1.2
203.69167	0.6
205.12180	1.1
209.11871	0.7
212.21103	0.8
341.20532	0.6
357.15588	1.8
371.17114	2.1
389.18253	2.0
403.29749	0.7
413.17834	1.0
431.19174	32.1
432.19351	3.2
446.27319	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	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00206	1.1
59.01249	21.7
62.67587	1.4
69.03333	2.6
71.01253	12.9
71.57550	1.2
72.99182	1.2
73.02809	2.3
75.00739	1.4
79.95570	1.1
80.28629	1.1
83.04898	1.3
85.02814	3.0
87.00751	2.0
89.02311	13.4
96.95889	9.5
98.95425	2.2
99.72068	1.1
101.02309	5.0
106.76304	1.4
109.02840	1.1
113.02318	4.5
117.01724	1.3
119.03359	4.1
131.03339	1.4
139.03889	1.4
140.00954	1.4
150.07321	1.1
153.01851	18.6
161.02309	2.0
166.02577	1.5
167.03416	40.9
168.03783	2.6
175.00716	1.1
179.03394	8.8
179.05542	11.3
181.05035	2.0
185.00758	1.3
196.02040	1.5
196.03708	20.9
197.04485	56.0
198.04817	3.7
209.08055	1.4
211.06068	18.6
211.09528	1.4
212.06848	55.1
213.07159	2.9
227.09204	100.0
228.09573	5.0
341.08499	1.3
359.41345	1.2
371.13254	1.6
401.10770	3.4
402.77829	1.3
416.13132	7.6
431.18976	1.6
431.23575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12685	0.4
54.77359	0.4
55.63830	0.4
59.01252	100.0
60.01606	0.9
71.01268	2.5
73.02827	0.7
85.02827	1.0
85.38657	0.4
89.02317	0.4
96.95894	4.7
101.02341	1.8
113.02346	1.1
121.02943	0.6
135.04408	0.7
151.03989	0.6
157.29172	0.4
161.02376	3.0
161.04581	1.3
176.04764	2.3
179.03429	5.3
184.95363	0.4
191.07135	0.7
194.05774	7.2
194.07390	0.6
195.06590	1.3
209.08139	17.9
210.08556	1.0
221.06952	0.4
227.09100	0.5
269.10422	1.2
274.71399	0.5
337.04761	0.4
431.15982	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47543	1.1
59.01252	42.1
71.01251	7.7
71.57894	1.9
71.58305	1.3
73.02816	2.0
84.79774	1.0
85.02856	1.7
89.02346	2.9
92.90308	1.2
96.95897	12.0
98.95496	1.4
101.02322	4.5
101.79729	1.0
108.02088	3.5
113.02357	2.3
116.06128	1.0
116.44266	1.1
119.04911	4.3
121.02863	2.3
123.04448	5.5
124.01553	2.6
134.03600	1.3
135.04422	17.1
136.05212	10.6
149.06009	2.0
150.03130	2.0
151.03946	5.8
151.07532	9.4
195.06573	71.8
196.06943	4.0
197.04614	1.3
205.11885	1.2
269.10342	2.9
431.15601	100.0
432.15881	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47543	1.1
59.01252	42.1
71.01251	7.7
71.57894	1.9
71.58305	1.3
73.02816	2.0
84.79774	1.0
85.02856	1.7
89.02346	2.9
92.90308	1.2
96.95897	12.0
98.95496	1.4
101.02322	4.5
101.79729	1.0
108.02088	3.5
113.02357	2.3
116.06128	1.0
116.44266	1.1
119.04911	4.3
121.02863	2.3
123.04448	5.5
124.01553	2.6
134.03600	1.3
135.04422	17.1
136.05212	10.6
149.06009	2.0
150.03130	2.0
151.03946	5.8
151.07532	9.4
195.06573	71.8
196.06943	4.0
197.04614	1.3
205.11885	1.2
269.10342	2.9
431.15601	100.0
432.15881	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77825	1.2
59.01249	100.0
59.61411	1.4
60.01572	1.7
71.01237	2.1
71.58865	2.0
89.02321	1.8
96.95885	9.4
113.02369	1.8
140.51340	1.3
210.73143	1.3
236.91362	1.4
252.19521	1.5
300.33395	1.5
377.63995	1.5
381.74463	1.5
429.30222	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10256	0.8
57.77510	0.9
59.01254	100.0
60.01579	1.0
70.74435	2.2
71.01207	0.8
72.45251	0.7
78.95769	0.8
87.45100	0.7
88.34469	0.7
96.95895	9.8
99.05526	0.9
152.74071	0.9
181.69586	0.7
309.17261	0.9
446.30576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93470	0.2
59.01236	0.7
63.02261	1.0
65.00188	0.8
67.13629	0.2
68.64262	0.2
69.76407	1.2
69.76823	0.5
69.97340	0.2
83.01254	0.9
91.35724	0.2
96.95876	6.5
98.19905	0.5
98.95444	0.7
107.01276	2.2
117.03304	2.4
148.01544	0.3
149.02321	1.1
149.99475	0.6
151.00279	4.3
159.04407	0.4
167.04965	0.3
169.01341	0.6
171.04358	0.8
172.05182	0.8
178.29750	0.2
180.05794	0.2
181.06520	0.3
183.04416	0.6
184.05154	0.6
186.95427	0.2
195.04448	0.6
196.05180	0.7
198.03035	0.3
199.03821	0.5
200.04666	0.6
201.05481	0.3
211.03992	1.8
212.04657	0.9
225.05440	0.7
227.03496	0.3
239.03468	4.0
240.04196	5.0
251.37236	0.3
266.81424	0.2
267.02975	2.2
268.03738	82.9
269.04501	100.0
270.04865	6.3
282.05264	0.9
283.05933	0.6
291.06366	0.3
311.05606	2.8
335.05420	0.3
382.93564	0.2
431.09787	38.3
432.10141	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62424	0.6
59.01248	100.0
69.42139	3.7
69.42545	1.7
71.01260	0.8
78.95771	23.1
85.46651	0.7
85.83557	0.6
86.48453	0.7
87.73171	0.7
89.02335	0.7
91.03908	2.3
96.95866	5.1
96.96844	2.3
98.20512	1.0
123.10891	0.7
150.97942	0.9
152.99483	41.5
171.00592	1.8
195.13884	1.2
238.91374	0.7
295.22742	13.7
296.23032	0.7
303.76535	0.8
303.85574	0.8
429.20657	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46044	0.4
59.01250	100.0
60.01594	1.5
60.98386	0.4
64.90488	0.5
70.75515	0.8
71.01251	5.4
73.02814	0.6
79.95610	0.6
85.02837	1.0
85.48019	0.4
87.00755	0.4
89.02316	7.9
96.95892	7.7
101.02319	3.3
110.30716	0.3
113.02332	2.3
119.03380	3.3
149.04457	0.4
161.04449	0.6
171.08058	0.4
179.05556	1.6
205.12332	0.7
214.22389	0.4
214.24768	0.4
310.04880	0.5
429.21191	0.5
452.71506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01581	0.7
66.60319	0.3
69.03336	0.5
69.21465	0.3
71.01258	1.3
73.02818	0.5
79.95618	0.7
85.02831	0.4
89.02330	0.5
89.85715	0.3
90.42276	0.3
96.95888	12.0
96.96492	0.7
101.02363	0.8
113.02396	0.4
135.04454	0.9
161.04579	0.5
179.03430	0.5
184.94119	0.3
201.09183	0.3
219.02907	0.4
229.57047	0.3
259.01495	0.4
273.52863	0.4
308.08240	0.6
337.03894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01251	100.0
60.01580	0.9
65.07428	0.2
69.03335	0.3
69.42138	0.9
69.42558	1.3
71.01257	5.9
72.99203	0.7
73.02848	0.2
75.59402	0.3
79.95621	1.1
80.96388	0.4
83.01263	0.3
85.02836	0.9
87.00755	0.8
89.02318	8.1
95.01279	0.5
96.95889	13.1
101.02337	3.1
113.02332	2.5
119.03391	3.1
120.99551	0.3
131.03395	0.3
132.66080	0.2
143.03442	0.7
160.84192	0.6
161.04466	0.7
171.08101	0.5
171.43382	0.2
179.05504	1.6
187.72763	0.2
224.15906	0.3
225.14960	0.4
248.20425	0.3
259.01431	0.7
261.11200	0.4
271.02499	0.3
308.08200	0.9
308.58475	0.3
317.04794	0.3
337.04019	0.6
355.04959	0.4
387.20331	0.5
429.21127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97579	0.5
59.01250	1.3
63.01690	0.5
67.73847	0.5
70.67364	1.2
70.67715	0.5
76.49367	0.4
98.20399	0.5
99.00685	0.4
99.92458	4.9
100.93234	2.0
115.91957	100.0
116.91962	4.2
116.92743	5.9
125.65234	0.6
132.92255	1.0
172.95399	4.9
173.95612	0.4
176.61119	0.5
255.23296	0.5
359.96625	0.5
381.17328	0.6
411.18478	0.5
429.19418	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04268	1.6
57.03334	1.9
59.01248	95.9
69.32220	6.6
69.32646	10.3
71.01262	11.1
72.99168	1.9
73.02816	3.2
74.86443	1.9
79.95609	4.5
80.96407	2.1
85.02820	1.9
89.02328	2.8
96.95881	48.2
101.02340	5.1
101.07009	1.9
107.71967	1.9
111.08790	1.7
113.00955	1.7
113.02315	2.6
119.03391	2.4
123.04437	2.1
149.02345	5.3
163.03958	2.0
163.11160	2.0
165.05524	1.7
169.02019	1.6
177.01851	45.3
191.03467	1.9
192.04204	52.1
193.04666	4.7
207.06555	100.0
208.06929	5.3
225.07661	9.0
337.03711	2.1
355.04889	2.3
429.17474	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34313	8.8
56.50066	7.6
59.01249	100.0
61.89025	7.7
69.26617	82.1
69.27028	19.8
75.00726	9.7
76.54260	8.3
81.15560	9.0
89.02289	12.8
91.03870	19.1
96.95908	17.3
213.14861	12.5
220.14700	8.8
221.15427	89.1
222.15874	12.0
245.71014	8.8
290.97021	16.3
423.12482	9.3
427.26654	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	427.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81424	0.3
56.36193	0.2
57.03311	1.1
59.01240	2.1
66.66975	0.3
70.97634	0.3
70.97973	0.4
71.20995	0.3
79.63254	0.3
127.11143	2.2
135.82329	0.3
155.14294	0.7
167.14365	0.4
171.10165	4.9
183.13820	2.8
195.13820	8.6
196.14203	0.6
196.38176	0.3
213.14896	16.3
214.15179	1.2
229.14401	3.2
231.15958	100.0
232.16286	4.7
246.47824	0.3
295.82001	0.3
427.30582	29.2
428.30933	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	429.1213
Annotation	Alvaradoin F
Peak:m/z	Relative Intensity
52.49601	0.5
59.01250	100.0
59.67312	0.6
60.01595	1.0
63.13780	0.5
63.26612	0.5
68.61480	0.6
71.01247	0.7
71.15418	0.9
71.15765	0.9
75.00758	1.4
77.74410	0.5
78.95781	0.9
79.95612	1.0
87.00741	0.6
89.02327	0.9
89.42632	0.5
96.95889	25.8
96.96851	1.4
147.45435	0.5
159.02393	0.6
172.87975	1.1
174.96899	1.2
183.13820	1.6
195.13834	20.7
196.14214	1.1
213.14911	6.0
214.15358	0.7
242.28023	0.6
247.79994	0.6
255.16000	1.4
283.10196	1.3
327.08954	11.1
328.09372	0.8
369.18515	0.6
385.13177	5.7
386.13327	1.1
429.12122	46.1
430.12411	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64737	1.1
52.34378	1.1
52.84450	1.1
56.99367	1.1
59.01248	100.0
60.50637	1.2
62.63815	1.1
63.72554	1.2
67.82973	1.0
69.52201	7.6
71.13927	1.2
73.69337	1.1
74.74140	1.2
86.12739	1.2
94.93248	1.1
96.95876	2.3
107.40907	1.1
118.10125	1.1
187.99374	1.1
202.97797	1.3
206.87262	1.3
220.66098	1.3
272.79901	1.2
293.21194	4.9
367.11804	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40423	11.5
59.01254	100.0
61.91710	13.4
71.01244	18.1
71.56783	14.7
71.57133	19.2
92.92702	19.8
96.95895	57.2
157.59015	14.2
163.59999	13.7
186.85631	34.6
186.95523	17.1
189.58765	14.5
215.29781	16.1
219.83141	15.5
231.15955	47.6
310.02927	16.3
311.22263	29.1
344.84424	16.9
344.94772	14.7
349.31882	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16726	0.9
59.01251	100.0
70.86413	2.5
71.01242	1.0
101.96376	0.8
186.85464	1.7
213.14859	3.6
235.16878	4.1
275.20111	6.9
290.97028	1.4
293.21152	4.4
325.02930	1.1
344.94370	1.9
405.22534	0.9
427.29910	3.0
453.99500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21151	0.9
59.01252	100.0
65.20815	0.8
67.43925	0.8
70.35659	3.4
98.35748	1.1
170.05609	0.9
170.20793	0.9
205.96832	1.2
260.41495	1.0
291.66980	1.1
293.21201	1.1
362.75970	1.1
409.33942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39845	0.5
59.01250	100.0
60.01589	0.9
61.98713	1.0
62.36241	0.5
69.85520	1.0
69.85926	2.0
70.14181	0.5
71.01265	1.9
89.92465	0.9
90.93243	2.0
91.03884	0.7
92.92693	2.5
93.74619	0.6
93.89462	0.5
96.26534	0.5
96.95898	2.2
103.91911	0.5
105.92790	0.5
135.22610	0.6
156.11671	0.6
218.24472	0.5
219.09714	0.6
235.17072	1.5
275.20187	4.4
293.21289	5.0
294.21573	0.7
299.16611	0.8
310.68100	0.6
311.22244	7.3
328.07211	0.6
367.15182	0.6
373.08270	0.5
399.14340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99542	0.4
52.60340	0.4
55.01746	0.5
57.03332	0.8
58.00463	0.7
59.01252	100.0
60.01588	1.0
61.23938	0.4
69.03353	0.9
70.71719	0.9
70.72053	0.8
71.01253	17.6
72.99191	0.7
73.02819	13.5
81.03349	0.6
83.01260	3.7
85.02811	5.1
87.00764	1.1
89.02313	4.9
94.65504	0.4
95.01292	1.4
95.04899	0.6
97.02853	2.6
99.00768	1.0
101.02322	12.2
105.06947	0.6
106.56716	0.5
108.05728	0.9
109.02818	0.7
109.06487	0.9
113.02320	9.1
113.05988	1.5
114.51720	0.6
119.03401	1.4
122.03629	1.0
123.08062	2.0
125.02327	0.5
125.05964	1.4
131.03421	0.8
134.03613	0.7
136.05223	1.6
137.05998	0.5
138.06766	9.8
139.07588	3.9
143.03348	0.9
151.07553	10.6
152.04733	1.1
152.08336	24.5
153.09117	59.9
154.09462	2.8
161.04446	3.8
163.11194	1.7
165.09146	1.3
167.07091	0.9
179.03404	0.7
189.09131	0.9
190.09904	1.7
205.12277	19.9
206.12680	1.4
223.13341	7.9
299.09882	0.4
367.17557	4.1
367.48734	0.6
376.64450	0.5
385.18814	2.4
427.19785	3.5
428.19925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03315	3.0
58.00467	0.6
58.30211	0.6
59.01247	100.0
60.01600	0.6
67.01794	0.5
69.03323	1.8
69.72408	3.5
71.01247	14.4
73.02811	8.9
83.01241	2.8
85.02820	3.6
87.00756	2.1
89.02310	3.4
95.01273	0.9
96.95914	1.4
97.02855	1.0
99.00784	1.5
101.02319	8.1
101.02926	0.8
107.04889	0.9
113.02332	4.4
119.03397	0.9
131.03406	0.7
137.09604	1.0
143.03442	0.5
161.04466	1.8
163.11186	11.0
165.09119	2.2
170.89709	0.6
171.08139	0.7
178.02733	0.6
181.12251	21.4
182.12662	0.9
187.11191	3.1
189.12766	3.7
190.09918	5.7
204.11566	1.2
205.12282	6.9
223.13438	1.3
229.12318	1.0
240.85054	0.6
241.95972	0.6
247.13434	1.3
326.47043	0.5
360.27338	0.5
367.17401	1.0
427.19791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34251	0.6
55.01757	0.8
57.03327	6.1
58.00479	0.9
59.01249	100.0
69.03323	6.7
71.01250	28.6
71.04871	0.8
71.11230	0.7
71.11553	0.9
72.99197	1.2
73.02816	36.9
81.03333	1.2
83.01254	9.3
83.04898	1.4
85.02819	4.4
85.99993	0.9
87.00749	7.4
89.02316	7.6
89.31044	0.7
93.03342	1.1
93.06989	1.0
95.01293	1.4
95.04899	0.7
96.95894	2.5
97.02861	2.2
97.06488	1.2
99.00782	2.9
99.04413	2.9
101.02319	31.3
102.98467	0.8
109.02854	1.4
109.06463	0.8
113.02335	9.6
119.03410	2.9
119.04957	0.8
123.08049	1.1
125.02371	1.5
131.03351	1.5
134.03702	1.5
135.08047	0.9
135.11703	0.8
137.02306	0.7
137.09633	1.9
143.03409	2.5
147.08192	0.7
149.04498	1.8
151.07555	1.2
151.11198	1.1
153.09143	4.9
155.03406	1.1
161.04498	5.2
161.05991	2.3
161.09700	1.5
163.07333	0.8
163.11142	1.1
165.09116	29.2
166.09476	1.9
168.53979	0.6
175.07544	7.0
177.12766	8.9
178.06294	1.5
178.13113	1.5
179.10674	5.6
180.35225	0.7
185.00851	5.1
187.11218	6.0
188.11662	0.7
189.09154	2.5
190.09938	4.8
203.05516	0.9
205.12274	79.2
206.12605	5.4
216.71974	0.8
223.13342	35.2
224.13759	2.8
229.14404	10.0
269.12100	1.0
289.99094	0.9
293.10522	0.9
295.10889	0.9
295.15601	1.1
297.11642	4.7
367.17603	1.5
384.49155	0.8
385.18701	4.0
409.42065	0.6
427.13794	1.0
427.19635	5.6
428.20395	0.8
449.42679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
55.42841	0.3
55.44543	0.3
57.03325	3.0
58.00481	0.7
59.01250	100.0
59.87510	0.4
60.01599	1.2
69.03326	1.8
71.01257	14.1
72.01580	0.4
72.99184	0.7
73.02821	8.8
83.01249	3.2
83.04897	0.4
85.02816	3.9
85.99964	0.7
87.00751	2.1
89.02318	3.8
95.01276	1.2
96.95924	0.7
97.02849	0.5
98.19783	1.1
99.00771	1.0
101.02316	8.7
107.04932	1.1
111.08071	1.0
113.02322	4.7
119.03408	1.1
125.02373	0.6
129.01869	0.4
137.09615	0.6
137.91423	0.4
143.03429	0.5
147.08025	0.4
151.11200	0.6
153.09196	0.4
153.12877	0.5
161.04483	1.3
161.09650	0.5
163.11205	10.2
164.11548	0.4
165.09132	1.5
166.09512	0.4
171.08076	0.8
179.10722	0.5
181.12260	23.0
182.12634	1.2
187.11244	3.4
189.12776	3.8
190.09895	4.7
191.10376	0.4
204.11490	0.8
205.12267	6.4
206.12732	0.6
223.13426	1.6
229.12352	0.8
229.55859	0.4
230.66988	0.4
247.13397	1.4
349.16611	0.5
367.17691	1.2
427.20032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60215	0.3
55.01749	0.6
57.03313	0.7
58.00477	0.4
59.01250	100.0
60.01586	1.0
61.18804	0.2
69.03336	0.8
69.42001	1.0
69.42438	1.1
71.01257	12.5
73.02818	5.0
75.00763	0.2
83.01253	2.3
83.04942	0.5
83.27120	0.3
85.02819	5.1
85.03280	0.4
87.00755	0.7
89.02319	2.8
93.03374	0.3
95.01273	1.3
95.04914	0.5
96.95901	1.8
97.02866	1.0
99.00764	1.0
101.02321	4.4
104.98073	0.2
108.02050	0.5
108.05698	0.4
109.02827	3.3
109.06448	0.4
113.02333	7.4
113.06021	0.4
119.03405	0.4
122.03618	0.6
122.92378	0.3
123.08083	0.9
125.05997	0.4
134.03641	0.4
136.05223	1.6
137.06000	0.6
138.06755	5.3
139.07573	1.4
141.01804	0.3
143.03410	0.6
151.07571	4.2
152.04796	0.3
152.08344	10.6
153.01869	2.4
153.09123	22.0
154.09480	0.9
161.04492	2.0
161.09712	0.4
163.11235	0.9
165.09177	0.7
166.93958	0.3
177.09155	0.3
179.10782	0.4
185.00819	0.3
187.11229	0.6
190.09955	0.9
205.12292	11.0
206.12691	0.9
223.13390	2.4
349.80185	0.2
367.17633	6.2
368.18106	0.6
385.18698	1.2
427.13193	0.2
427.19778	1.0
437.91501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41087	1.4
51.07094	1.2
51.51209	1.1
56.61771	1.3
59.01248	12.1
59.28322	1.2
59.74175	1.2
61.98696	1.3
69.16003	1.1
75.64653	1.1
87.00719	1.2
96.95895	3.4
98.19820	3.3
108.40302	1.3
111.08045	3.4
113.09592	1.9
125.87170	2.2
133.48351	1.2
134.03610	2.8
139.11192	11.8
157.08601	28.3
163.11195	2.1
171.10182	3.7
181.12270	29.1
183.13812	5.8
193.12332	4.1
195.13814	11.9
196.66377	1.3
199.13329	20.7
211.13332	38.0
212.13644	1.3
213.14888	34.1
214.15150	3.1
229.14395	100.0
230.14702	5.5
234.09326	1.4
255.06824	10.9
285.04187	3.1
299.05856	16.5
300.05966	1.9
365.14410	2.1
425.16620	8.4
425.23868	2.5
425.29099	63.8
426.16278	1.3
426.29486	8.0
438.56635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
60.48236	0.3
65.13970	0.3
70.10340	1.7
108.89751	0.4
127.11134	0.7
171.10156	0.9
183.13829	19.0
184.14246	0.9
184.88690	0.6
195.11998	0.8
195.13834	15.4
196.14119	0.8
209.11818	0.9
211.13344	5.1
213.14899	100.0
214.15228	6.9
229.14407	29.0
230.14732	1.8
231.16031	0.5
293.10269	0.6
362.51456	0.4
425.29092	21.0
426.29437	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08692	0.5
54.55053	0.5
56.09397	0.6
57.03322	1.0
59.01251	6.6
61.98696	0.7
63.95646	0.6
69.03326	0.6
83.04905	1.3
90.93229	2.3
92.92678	2.0
96.95909	0.8
103.91904	2.2
104.92729	0.9
106.92744	1.0
134.03654	1.2
165.12759	0.8
171.10255	0.7
183.13837	11.6
184.14343	0.7
193.12224	1.1
195.13828	24.2
196.14258	1.6
196.98875	0.7
201.24141	0.6
209.11839	0.8
211.13339	35.0
212.13678	1.6
213.14920	11.3
223.13455	0.8
229.14349	1.5
239.12860	0.8
305.66940	0.7
309.20749	0.9
315.26846	4.4
316.27493	0.8
333.28284	0.9
341.24609	0.8
359.25800	2.9
360.26288	0.8
363.12714	0.7
365.13971	3.7
377.26959	2.7
395.28091	1.1
397.13251	2.8
407.27774	0.8
425.29074	100.0
426.29410	13.2
431.72375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.2
59.01239	0.8
70.05077	0.7
71.04890	0.5
83.04889	0.4
84.02030	0.4
85.02814	0.5
86.19743	0.2
97.06465	0.6
123.08051	0.3
125.09614	3.5
126.09928	0.2
127.11176	4.2
155.14305	2.0
165.12752	0.6
167.14310	1.8
171.10181	0.5
183.13818	2.5
185.15326	0.4
195.13824	5.9
196.14096	0.3
209.11772	1.7
211.13335	3.2
213.14893	14.3
214.15265	0.8
229.14394	100.0
230.14743	6.0
293.15781	0.2
425.29068	21.0
426.29401	2.5
427.70187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.8
59.01250	0.9
69.58142	1.6
69.58569	0.7
71.04879	0.5
83.04893	0.7
85.02834	0.5
97.06470	0.4
101.43941	0.3
119.99824	0.3
125.09610	2.0
127.11164	3.2
139.11122	0.3
153.12778	0.3
155.10681	4.0
155.14325	0.7
163.11172	0.3
165.12799	0.4
167.14304	1.2
171.10201	2.5
181.12270	2.9
183.10237	0.6
183.13828	3.7
193.12268	0.9
195.13831	12.1
195.48599	0.4
196.14153	0.9
199.13329	5.3
201.11180	1.8
209.11778	2.0
211.13338	8.5
212.13710	0.6
213.14890	16.7
214.15178	1.1
229.14392	100.0
230.14740	5.7
247.15434	0.5
356.33029	0.3
425.29071	19.8
426.29578	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	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45539	0.5
57.03324	0.8
59.01242	4.6
59.41200	0.4
64.71103	0.4
71.01252	0.6
71.30037	1.2
83.04899	1.3
84.57001	0.4
85.02806	0.8
94.71708	0.5
97.06464	0.8
108.65697	0.5
112.98704	0.5
125.09602	1.9
127.11152	2.0
134.03625	0.9
155.14296	1.1
167.14328	1.3
177.12671	0.8
183.13817	9.8
184.14249	0.6
184.88451	0.5
193.12227	1.7
195.13818	24.9
196.14185	1.4
209.11710	1.0
211.13322	34.7
212.13655	2.0
213.12784	0.8
213.14874	16.6
214.15245	1.1
229.14394	45.6
230.14709	2.4
275.09277	0.5
293.10443	0.7
315.26840	2.6
333.28183	0.7
341.24753	1.1
359.25909	3.1
371.25696	0.6
377.26999	3.3
378.27197	0.6
389.27081	0.5
398.97934	0.4
407.27908	1.7
425.29053	100.0
426.29434	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	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
64.98589	0.5
67.05410	2.8
69.41920	1.8
69.42343	2.6
71.04899	10.1
78.95769	0.6
80.04945	0.6
103.91937	0.5
114.09121	2.3
114.76804	0.5
116.07104	0.6
129.86702	0.5
130.08636	16.7
131.08920	0.6
140.07091	0.7
149.75691	0.5
168.13893	0.5
182.76224	0.5
184.13399	1.2
186.14929	6.8
194.11818	1.5
212.12878	1.6
230.13943	100.0
231.14284	5.5
249.65407	0.5
260.74503	0.5
387.12051	1.0
425.16324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43258	1.1
58.21489	1.1
59.01247	13.6
61.98690	1.4
66.60539	1.1
71.01254	2.8
71.57050	2.0
71.57444	1.1
78.95757	2.4
79.76201	1.2
83.04868	1.4
94.92423	1.6
96.95881	1.4
99.08035	1.8
113.00111	1.0
113.09547	1.2
121.10129	7.6
125.09602	4.6
127.11154	2.5
129.57323	1.3
137.09642	1.8
139.02116	1.2
139.11171	2.6
143.27829	1.0
149.19087	1.2
165.08842	3.2
171.10175	60.2
172.10477	3.9
193.08386	75.1
193.12213	3.6
194.08720	2.6
197.80435	1.1
211.08167	2.7
215.10413	2.4
215.36659	1.2
225.14883	3.9
249.09647	1.6
251.11409	2.1
264.09723	5.2
264.62601	1.2
279.10861	4.9
293.21317	2.5
309.20779	1.9
326.58246	1.3
343.24844	100.0
344.25098	10.8
365.22061	15.5
366.22638	1.6
409.21921	2.2
425.25272	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	425.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
59.01254	14.8
69.03326	2.3
69.53830	2.6
69.54257	3.6
73.82866	0.7
75.02675	0.7
78.95776	1.0
83.01237	0.8
83.04891	1.0
83.29636	0.8
85.02864	0.7
87.03029	0.7
90.46584	0.7
95.04907	4.8
96.95885	0.9
97.02797	0.9
97.06484	1.2
99.08049	11.0
107.01260	0.8
121.10120	2.0
125.09621	2.8
127.11205	1.3
137.09607	1.6
139.11197	1.0
149.13281	0.8
151.00258	1.6
151.11166	1.3
153.09155	0.9
165.12782	1.4
171.10181	19.0
175.11197	1.2
189.05316	1.4
193.08424	17.7
193.12265	18.8
211.08231	2.1
211.13377	4.1
215.10481	7.4
225.14919	25.0
225.80667	0.8
226.15228	1.8
232.10841	3.6
233.11595	5.5
243.16052	7.9
247.09293	0.8
247.13153	2.2
249.09819	1.1
251.11369	2.6
259.09534	2.3
261.14606	1.2
263.13083	1.1
264.09787	25.7
265.10083	1.1
265.14172	2.3
279.12207	5.3
291.12167	1.2
293.21295	3.7
309.13235	5.6
333.19342	3.2
343.24884	100.0
344.25250	10.2
347.22250	0.9
351.20340	0.8
365.21939	15.1
366.22134	1.9
397.09174	1.3
409.22052	2.4
425.08542	2.4
425.16055	6.5
425.25122	9.9
426.25494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24573	0.7
59.01250	100.0
60.01580	1.0
60.84140	0.7
61.98697	1.1
69.30373	7.7
71.01261	0.8
71.59467	0.7
73.28493	0.8
89.92450	1.0
90.93246	1.9
92.92669	1.9
95.28122	0.8
101.83456	0.9
130.94336	0.8
135.80608	0.8
151.00217	1.1
171.10161	0.8
176.96631	0.8
180.12924	0.8
204.32449	0.8
246.90388	0.8
265.05359	0.9
291.19604	3.3
291.86511	0.8
309.20770	1.1
323.06348	0.8
365.14111	3.2
425.15817	1.5
442.77682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.7
57.03314	1.7
58.00453	3.7
59.01247	69.7
60.01599	1.6
60.50169	1.2
67.14086	1.2
69.54088	4.2
69.54506	6.0
70.98626	1.3
71.01248	37.4
72.99171	4.8
73.02800	2.7
74.98960	2.2
85.02811	6.8
87.00755	9.6
89.00520	1.6
89.02309	37.2
95.01242	2.1
96.95863	4.3
101.02310	26.0
102.98450	4.5
107.04896	2.3
112.98676	3.0
113.02326	13.4
113.39174	1.5
118.97925	1.9
119.03375	13.6
123.04400	7.0
123.08025	1.3
125.09607	1.6
127.11098	2.0
129.01796	1.4
133.02791	2.3
134.03630	11.2
135.04405	15.4
137.02339	2.0
138.53493	1.5
141.03748	1.8
149.00800	5.1
153.09192	1.4
156.49097	1.5
161.09656	1.6
171.10165	100.0
172.10516	9.0
177.01791	2.0
178.02631	7.0
179.03403	14.5
179.05064	1.6
179.05565	1.7
179.89117	1.3
202.11623	2.4
203.10651	2.2
209.11781	3.8
227.12827	46.8
228.13177	4.3
231.10202	2.4
275.09131	4.2
293.10242	5.6
295.10062	9.8
345.45816	1.6
373.33267	1.8
383.11591	1.4
407.18762	1.7
408.19830	1.5
425.12469	1.6
425.20139	9.0
426.20850	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1814
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
55.01759	0.8
56.97906	0.5
57.03309	0.3
58.99464	0.3
59.01249	2.8
62.55014	0.2
70.87125	0.3
71.01254	0.6
73.02813	43.7
74.03147	0.6
77.86511	0.3
87.00754	2.1
89.00536	0.9
89.66118	0.3
96.95890	2.3
101.02319	0.6
102.98459	0.7
103.00262	0.5
112.98689	0.8
119.03430	0.4
123.59728	0.3
133.02806	0.7
134.03632	2.1
135.04358	1.1
137.02327	0.4
139.07520	1.0
147.08067	0.6
149.00809	1.2
173.13286	0.3
177.01845	0.9
178.02632	2.9
179.03386	1.1
183.06577	0.6
199.11192	0.3
201.12782	1.2
203.10678	0.4
217.12294	0.6
219.13844	21.3
220.14183	1.2
231.10300	0.5
245.11707	1.3
249.09398	0.5
263.12848	100.0
264.13196	7.4
275.09235	1.0
277.14420	0.6
293.10223	1.5
295.10098	3.0
305.13986	1.3
310.96353	0.3
345.22546	0.3
385.89682	0.3
386.56665	0.3
425.12830	0.3
425.18423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54832	2.7
58.76219	2.8
59.01253	100.0
65.45676	3.2
71.01251	13.1
73.02816	17.0
79.95621	4.7
83.01257	5.9
89.02345	3.0
96.95894	81.4
101.02335	15.8
113.02351	5.6
119.03384	3.7
135.04317	3.2
151.11359	3.1
158.00146	2.9
161.04439	7.0
267.15265	3.2
280.72253	2.7
337.03751	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29984	1.1
52.83245	1.0
59.01252	7.8
69.03305	1.6
71.57721	1.6
77.58390	1.0
78.95758	1.2
87.00784	1.2
87.92401	1.8
90.93240	1.8
95.39890	1.2
96.95902	1.1
97.06498	1.6
103.91895	10.4
104.92688	3.9
106.94262	1.6
108.05656	1.4
112.14612	1.1
113.05950	4.6
116.35197	1.2
121.58934	1.0
123.94502	2.2
124.14529	1.1
124.89373	2.6
134.03613	1.5
139.11160	1.4
143.07047	4.7
147.11681	2.5
163.11185	1.6
165.12758	64.9
166.13112	3.3
166.97888	1.3
168.99467	2.3
171.01021	1.3
183.13719	1.5
183.83043	1.1
187.00626	7.4
196.99055	1.7
199.00439	5.7
201.02147	11.2
211.13347	1.9
213.14862	8.1
217.01694	1.2
229.14360	1.9
255.06810	1.9
283.88052	1.0
310.69247	1.1
321.14960	1.9
347.13052	1.2
353.19025	3.9
363.12634	1.6
365.14157	100.0
366.14481	10.4
383.15240	10.5
384.15659	1.4
397.13174	9.4
425.17722	5.2
425.28909	1.2
429.60388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.2
58.58059	0.6
58.99469	2.4
59.01254	17.6
60.97390	1.4
62.46303	0.6
65.03843	1.1
71.01259	2.2
72.97400	1.5
72.99199	1.7
73.98190	3.3
74.95858	0.7
74.98975	2.1
79.05403	4.4
81.03313	1.1
83.04881	8.0
83.24484	0.6
85.02823	0.8
87.00751	57.5
88.01012	0.8
89.00545	1.9
93.03352	0.8
95.04900	1.2
96.95858	1.1
97.06477	1.3
98.19776	2.5
99.34044	0.6
99.41582	0.7
101.02275	0.9
102.06486	0.7
102.97815	0.9
102.98468	6.9
103.00247	2.9
107.04908	61.4
108.02051	9.1
108.05255	2.7
109.02815	1.0
109.06490	1.6
112.98694	4.3
113.00550	1.5
113.02296	0.8
113.04195	13.3
119.08543	1.8
120.99519	1.7
123.04400	4.4
125.05981	1.9
129.01843	6.2
133.02872	4.0
134.03638	12.8
135.04459	4.7
135.08037	1.3
136.04742	0.8
137.02307	2.8
137.05948	1.3
139.03944	0.9
141.03703	65.2
142.03964	1.3
147.08075	2.7
149.00832	9.5
149.06038	0.7
151.99902	1.3
152.01068	16.1
159.04779	13.1
165.09280	0.7
167.03412	31.8
168.03793	2.1
169.03200	0.8
171.08160	1.3
173.09686	1.4
175.11244	1.2
177.01866	6.9
178.02638	18.5
179.03444	5.3
181.97725	0.8
183.04799	1.3
187.11197	0.8
197.09662	0.9
199.11276	1.4
203.08900	1.1
203.14346	1.5
213.07280	1.5
215.10719	3.4
217.12309	2.2
221.11732	0.9
231.08414	3.7
231.10190	1.6
243.10190	1.4
249.09517	6.8
250.09969	0.8
267.10632	2.0
271.01346	0.7
275.09167	6.1
277.09024	3.2
293.10303	5.5
295.10083	100.0
296.10458	6.1
365.10547	1.3
383.11679	12.9
425.12778	6.1
426.13254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07167	0.8
56.80557	0.8
57.03317	2.4
58.99471	1.7
59.01247	13.9
69.03304	0.9
69.28631	0.8
72.97384	1.2
72.99170	1.9
73.98190	1.7
74.98976	2.0
76.52286	0.8
77.35822	0.7
83.12446	0.9
85.02835	1.0
85.27208	0.8
87.00751	47.9
89.00537	10.0
93.03323	0.9
95.04916	2.6
98.19743	2.0
101.00556	2.4
102.98449	4.5
103.00243	5.9
107.04881	1.3
108.02029	2.9
112.98681	6.8
113.00534	1.3
120.99563	1.4
121.02855	1.5
121.06456	1.1
122.03587	1.1
123.04424	1.8
123.08089	1.4
125.05962	1.8
129.01820	4.1
133.02835	5.5
134.03627	19.3
135.04413	10.4
135.08037	9.1
137.02335	5.2
139.03909	1.6
147.08034	2.2
149.00822	16.0
149.09630	1.1
152.01047	4.8
161.09676	1.1
163.07521	0.9
165.09103	2.6
167.03419	10.6
173.09587	2.0
173.49188	1.0
175.07323	0.9
177.01831	11.2
178.02621	36.6
179.03372	10.5
185.09605	1.1
189.09111	1.1
192.81685	0.8
197.09776	1.0
203.10699	3.2
205.12236	0.9
215.10675	5.9
231.10266	2.9
235.02400	0.9
239.11029	2.5
243.10214	3.0
249.09471	4.9
265.08911	1.5
267.10532	1.6
275.09207	12.9
277.08997	4.7
293.10385	6.9
293.88904	0.8
295.10071	100.0
296.10431	9.3
381.01254	0.8
383.11649	9.1
393.68134	0.8
425.12875	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	425.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97912	100.0
59.00946	1.4
59.01253	27.3
59.99604	0.7
63.96100	1.2
71.01264	2.2
74.98973	56.6
87.00770	1.9
87.91399	0.7
88.54991	0.7
89.00548	21.5
89.01069	1.2
96.95908	3.6
104.30782	0.8
112.98703	1.0
117.00051	22.1
118.97980	49.1
134.03629	5.0
135.04466	2.1
136.99001	3.4
149.00809	2.4
156.35904	0.6
167.30528	0.7
177.01849	1.1
178.02654	3.9
179.00111	28.1
179.03409	1.1
201.12668	0.9
233.10040	2.6
275.09439	1.4
293.10309	3.4
425.18753	1.2
433.56406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34666	0.2
58.99472	14.6
59.01247	7.6
69.03331	0.2
71.01241	0.4
72.99181	1.2
74.98959	2.4
82.45968	0.2
84.99213	0.2
87.00742	3.6
96.95885	0.6
97.02784	0.5
97.06467	0.8
98.20557	0.4
102.98469	100.0
103.98817	1.0
108.02031	0.3
109.02829	5.6
112.98687	2.6
119.04893	0.3
120.99534	4.6
124.90397	0.2
130.08627	0.3
133.02844	0.7
133.06442	0.3
134.03625	16.6
135.04442	4.0
135.08041	0.7
136.01559	3.1
137.02345	1.7
149.00821	5.0
150.03169	0.2
151.03922	3.2
151.05075	0.4
151.07509	0.4
159.04320	0.3
161.05975	1.0
162.03165	0.3
163.00598	3.9
163.80063	0.2
169.23297	0.2
173.05989	0.3
174.06712	0.5
175.07573	0.5
177.01898	1.1
178.02638	3.0
179.03401	1.0
179.07057	1.6
187.07660	0.3
195.02902	2.3
196.03436	0.3
203.10678	1.0
218.73375	0.2
231.10222	2.9
233.08018	0.4
249.11145	0.3
259.06964	0.2
275.09207	3.4
276.09433	0.2
293.10303	17.5
294.10553	1.4
295.10046	1.1
425.10669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
59.53419	0.3
71.58404	0.3
78.95776	16.2
80.86559	0.2
86.41483	0.2
87.71132	0.3
93.03316	0.3
122.00018	0.6
132.86665	0.3
140.01083	4.3
149.30391	0.2
152.99513	1.2
154.03737	0.3
177.03447	0.3
196.02008	0.6
196.03737	8.5
214.04779	1.7
219.22667	0.3
227.20123	100.0
228.20453	7.6
291.19827	0.3
296.04922	0.3
298.52927	0.3
320.09601	0.3
328.04224	0.3
352.08221	0.3
365.11914	1.3
389.16238	0.5
424.24701	21.9
425.14099	4.0
425.24854	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	423.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80491	0.4
59.01240	1.3
71.01265	0.6
80.02536	1.4
81.03307	1.0
83.04888	6.2
84.02026	1.5
95.04905	0.6
96.95877	5.9
98.20562	0.7
109.06490	0.5
125.06003	0.6
135.08025	1.1
142.90170	0.4
163.11203	4.6
165.12761	2.9
180.14261	0.4
183.13789	1.7
191.10698	1.5
195.12059	0.5
195.13826	9.0
209.11758	100.0
210.12083	5.7
213.14890	16.8
213.16975	0.5
214.15253	0.9
227.12819	10.6
228.13103	1.0
265.14767	6.4
266.15070	0.9
339.51630	0.4
378.03455	0.4
396.49597	0.4
405.26352	1.7
423.13409	0.6
423.27408	4.9
424.28058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01257	1.2
66.02342	0.2
73.33776	0.2
96.95880	0.2
100.87156	0.2
111.08055	0.7
116.17164	0.2
123.17648	0.2
125.72353	0.2
126.25758	0.2
154.15749	0.3
165.12752	6.3
166.13164	0.4
183.13824	100.0
184.14148	5.1
191.10562	0.3
195.13835	16.1
196.14178	0.9
209.11723	1.6
213.14906	13.8
214.15262	1.1
227.12825	5.9
228.13153	0.3
255.23163	0.8
262.94763	0.2
309.92792	0.3
361.27469	9.2
362.27841	1.3
379.28363	0.4
405.26328	0.9
423.27536	33.7
424.27844	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	423.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
59.01241	1.4
69.32464	0.3
71.01262	0.3
71.57749	0.5
78.44115	0.3
80.02534	1.5
80.83900	0.4
81.03337	1.4
83.04898	5.9
84.02031	1.7
95.04910	0.8
95.75243	0.3
96.95885	0.3
97.06474	0.3
107.62295	0.3
108.52621	0.3
109.06496	0.5
125.05972	0.7
135.08067	0.9
147.51073	0.3
163.11182	5.0
164.11629	0.4
165.12747	2.7
172.04091	0.4
181.12233	0.5
183.13803	2.3
191.10713	1.2
195.13828	8.9
196.14133	0.4
199.13495	0.4
209.11761	100.0
210.12056	4.7
213.14888	16.0
214.15155	0.8
227.12828	13.3
228.13196	0.5
271.99417	0.3
399.31229	0.3
405.26233	1.7
423.27509	5.6
424.27930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54013	0.3
61.69910	0.3
71.07708	0.7
76.97835	0.4
78.95780	14.2
85.83716	0.3
86.52841	0.3
104.97363	0.7
110.98415	9.2
120.07185	0.3
144.84424	0.3
152.99507	0.4
163.16336	0.4
167.01062	10.4
178.96815	0.3
185.02182	2.5
210.80611	0.4
234.80811	0.4
255.23273	100.0
256.23602	7.9
316.09131	0.4
423.25201	18.3
424.25626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78511	0.3
69.88921	1.6
78.95774	12.1
85.94281	0.3
94.98949	0.3
96.31441	0.3
98.19865	0.5
99.63587	0.3
104.97356	0.4
110.98412	8.9
137.00034	0.6
167.01062	10.7
185.02136	2.6
255.23270	100.0
256.23611	9.1
269.32584	0.3
293.28253	0.4
359.53824	0.3
371.27963	0.3
423.25159	15.6
424.25528	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
59.01254	100.0
60.01585	1.2
71.01254	1.2
71.58728	0.2
73.02841	0.4
79.19106	0.2
79.95625	0.8
85.02833	0.6
87.00758	0.5
95.95123	0.2
96.95893	7.8
98.95490	0.4
99.00755	0.2
101.02339	0.6
102.98497	0.5
111.04424	0.3
113.02361	0.6
125.09608	0.2
161.02458	0.2
161.04460	0.2
184.87402	0.2
187.09819	0.2
217.12277	1.0
217.58820	0.2
232.94533	0.2
261.11441	0.6
321.19321	0.8
363.20331	0.5
423.16739	1.0
424.17374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31206	1.3
51.93050	1.5
59.01247	19.2
60.55394	1.7
61.98700	2.2
62.68641	1.3
69.03324	3.1
70.80784	2.1
70.81129	3.7
71.01266	1.7
78.95783	3.5
83.04872	1.7
84.02036	13.5
95.04887	4.3
96.95885	2.4
97.02798	13.5
97.06458	12.3
99.04407	4.8
125.09570	2.8
127.11212	1.5
164.21722	1.5
171.10175	32.2
183.13786	3.7
188.94862	3.3
193.08379	37.8
193.12201	7.5
194.08664	2.4
206.29710	1.6
209.11768	7.1
211.08231	2.0
211.13245	4.8
213.14868	3.2
213.82709	1.6
215.10434	4.5
225.14911	15.7
232.10696	2.8
233.11682	7.4
243.15912	4.7
247.13187	1.6
255.13780	1.9
255.23181	5.4
259.09482	2.4
264.09717	14.0
265.14258	2.1
278.98801	2.0
279.11935	5.5
291.19537	2.2
293.13489	1.7
309.13177	3.1
341.23273	100.0
342.23526	8.2
345.20715	2.0
363.20392	16.1
393.88181	1.8
407.20459	2.3
417.21176	1.9
423.23682	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
68.26506	0.5
71.01240	1.4
71.45528	1.0
73.02815	1.0
81.03307	0.7
83.04889	6.2
95.04862	0.9
97.02831	2.3
101.02320	0.9
105.07001	0.9
111.04399	31.4
112.04733	0.8
112.98849	0.5
119.03381	0.8
119.08527	1.4
121.06454	1.4
122.03618	1.4
123.04425	1.2
135.08049	0.8
145.10121	1.4
147.08018	1.6
147.35416	0.5
148.05209	1.3
151.07513	2.5
157.10147	1.8
163.07550	9.0
164.07747	0.6
171.11685	0.7
173.05954	0.6
173.13260	20.7
174.13605	1.2
175.07544	9.7
175.11238	1.2
187.11137	1.5
189.09126	1.7
189.12746	2.0
195.43808	0.6
199.11192	5.4
217.12267	100.0
218.12617	6.4
236.68213	0.6
243.10258	1.1
261.11282	99.0
262.11642	6.9
303.12399	1.2
341.12012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1659
Annotation	Ainslioside
Peak:m/z	Relative Intensity
53.43321	1.3
59.01244	11.1
70.34564	5.1
71.01248	4.4
74.90493	1.3
78.95774	7.8
83.63822	1.7
85.02822	2.6
88.51755	1.4
89.02292	2.7
90.39894	1.5
90.86980	1.6
96.95898	8.4
96.96854	1.7
99.04398	2.1
101.02330	2.1
113.02298	1.9
117.06993	6.1
125.02326	1.6
135.04475	2.2
136.18349	1.5
150.30141	1.5
161.05984	4.8
173.13257	2.4
175.11159	5.3
175.80530	1.5
189.03893	1.5
191.05524	2.3
199.11159	4.7
217.12256	24.7
225.57414	1.6
243.10281	2.5
261.11273	100.0
262.11649	8.0
269.04535	7.7
276.04022	1.7
281.04520	2.0
303.12314	4.0
343.04474	2.6
423.16589	3.4
423.25717	1.9
437.07214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98686	8.5
64.02602	9.5
69.89060	36.1
71.01246	82.9
71.09109	10.3
73.02834	13.4
74.98976	8.3
85.02818	26.4
87.00756	20.3
89.02316	62.6
96.95877	41.2
98.20502	9.3
99.00722	12.1
101.02326	76.5
113.02333	30.6
118.97950	75.3
119.03373	24.4
120.99531	44.0
145.44469	8.3
149.00810	17.5
161.04477	23.2
170.60429	8.3
175.07462	11.3
179.05586	43.8
217.12523	10.6
219.06577	11.3
221.06570	15.7
247.09695	10.8
291.08682	16.5
423.17871	86.8
424.18243	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	423.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71815	3.7
59.01252	39.2
69.03329	28.2
70.96117	3.5
70.96451	8.8
73.18213	3.9
83.04871	7.4
92.66654	3.9
93.05775	4.2
96.95891	7.4
97.02800	4.5
99.92456	3.9
103.91891	9.1
104.92735	4.8
106.94155	3.9
119.08524	4.1
135.08168	3.9
137.09602	51.2
141.15517	3.4
165.12811	4.1
171.10159	12.4
179.35251	4.1
188.94856	5.3
191.01317	3.6
209.11804	48.4
211.07796	5.0
211.13251	4.9
213.14943	8.2
216.96300	3.8
217.12894	4.0
227.06198	4.4
227.12840	6.3
241.05318	10.8
243.06841	4.8
255.06851	60.7
260.40744	3.7
285.04279	18.8
299.05853	100.0
300.06165	9.0
363.12698	15.8
379.15991	5.9
423.14972	39.7
423.28088	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	423.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.01238	1.3
63.02265	1.2
65.00202	5.3
69.66138	1.9
78.95799	0.4
81.30484	0.3
83.01266	3.0
86.90585	0.3
107.01283	7.0
108.88194	0.3
109.02851	0.4
113.07396	0.3
123.04414	1.5
124.01521	1.1
125.02334	8.6
126.88969	0.4
129.86732	0.4
133.02914	0.4
151.00276	22.9
152.00626	0.6
159.04477	0.8
160.05124	0.5
161.02344	7.6
164.92183	0.8
165.01820	1.3
167.03404	2.5
169.01341	0.6
171.04378	0.8
172.05203	4.1
173.05910	0.5
174.03120	0.7
175.03938	3.5
176.04643	0.4
177.01906	0.5
182.03610	0.4
183.04420	1.6
185.06030	2.8
186.06718	0.7
187.03906	2.0
188.04597	1.1
189.01956	0.5
196.05211	3.1
198.03151	1.0
199.03894	1.1
199.07454	0.4
200.04727	2.8
203.03413	0.5
204.04221	0.5
209.06030	0.5
210.06767	0.8
211.04013	0.8
212.04721	0.7
213.05505	1.0
214.02678	0.4
214.06316	0.7
215.03481	0.9
223.04099	0.4
224.04767	4.7
225.05312	0.9
226.02657	1.0
227.03419	1.6
227.10689	0.9
236.04637	0.5
237.05504	1.9
238.06290	1.5
240.04303	2.0
241.04947	0.8
243.02905	1.2
243.13881	2.3
248.04739	1.0
249.05498	1.3
249.88602	0.4
250.06303	0.5
251.03407	0.8
253.05150	1.8
253.12315	1.9
257.11737	0.6
261.05576	0.8
262.06281	0.9
263.03500	1.5
263.06387	0.4
264.04294	3.2
265.05014	1.5
266.05807	1.4
267.03012	0.6
267.13885	0.6
269.11746	0.6
271.13373	6.8
272.13708	0.6
277.05103	1.5
278.05713	0.6
279.06628	1.1
281.04550	1.8
283.02435	0.4
283.06055	1.1
289.05164	0.5
290.05884	0.5
293.04623	0.9
294.05316	0.7
295.06116	0.9
295.13345	1.0
296.03201	0.9
297.11417	2.6
305.04556	1.4
306.05307	2.2
307.06003	1.4
308.03189	2.6
309.04053	14.0
310.04370	1.1
319.13370	0.6
321.04156	0.7
322.04749	3.8
323.05609	6.8
324.06042	0.6
333.04031	1.0
334.04715	3.4
335.05545	1.5
337.14203	0.5
351.05023	2.4
351.12549	0.6
352.05939	2.1
354.03809	2.0
363.12503	0.7
366.03580	0.4
377.13977	0.5
379.11838	14.8
380.12299	2.3
405.13425	1.8
423.14493	100.0
424.14828	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	423.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.6
63.02260	8.8
65.00195	24.3
70.64422	1.7
70.64761	2.7
83.01260	16.3
99.61494	1.2
102.77715	1.2
107.01274	34.8
107.52061	1.3
123.04391	3.6
125.02346	21.2
135.68175	1.0
145.02815	1.2
145.40901	1.3
146.03641	1.6
151.00278	100.0
152.00636	4.2
158.03650	1.6
159.26933	1.1
161.02365	3.9
165.01869	2.7
167.03429	8.0
169.01349	4.3
172.05226	15.6
173.05782	1.4
174.03107	4.1
185.06087	1.4
186.06804	3.2
199.07596	4.3
200.04736	2.8
212.04736	2.6
213.05450	1.5
213.09248	1.8
227.03485	1.3
229.12186	1.4
243.13879	83.1
244.14333	6.1
256.03796	1.5
269.11816	2.7
271.13388	37.7
272.13806	2.5
276.86725	1.4
283.02435	3.5
293.11774	4.5
297.04037	2.8
297.11383	7.3
309.04065	7.1
320.06754	1.4
321.11237	3.4
324.02850	2.4
338.03918	1.3
363.13092	1.7
377.13925	7.7
395.14905	17.8
396.15118	2.4
405.13461	65.8
406.13638	8.5
415.93268	1.3
423.14511	83.3
424.14767	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	423.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74829	0.6
55.01744	1.8
58.00466	1.0
59.01246	6.6
71.01251	8.5
71.58581	1.0
73.02802	2.4
74.42470	0.6
78.95763	1.2
83.01261	10.2
85.02814	1.0
87.00740	4.8
89.02325	1.8
96.95893	0.8
99.00742	9.6
101.02312	1.2
101.25073	0.9
111.00759	6.6
112.98689	2.4
115.00242	2.6
117.01833	1.0
127.00234	3.7
129.01813	2.5
145.01321	11.1
149.00807	1.1
154.99770	6.4
161.02434	0.8
167.14236	1.3
181.12196	1.9
183.13806	9.6
184.14059	0.8
191.14317	0.9
195.13855	8.8
213.14894	100.0
214.15298	5.8
218.12949	1.3
225.14932	1.0
247.09875	0.8
255.23305	2.5
297.07932	1.6
341.07059	3.6
341.11575	1.1
341.15973	15.8
342.16116	1.4
447.69632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88903	0.5
58.99477	16.4
59.01249	12.2
59.99160	0.5
60.26125	0.5
67.93498	0.5
69.59237	0.4
70.00066	1.9
71.01249	1.9
73.02821	0.6
74.98966	2.2
78.95758	0.6
79.95611	12.3
81.95197	1.1
83.04893	1.2
85.02820	1.1
87.00745	6.0
88.12242	0.4
89.02317	0.6
95.95121	3.1
96.95892	53.3
98.95483	1.6
101.02347	0.8
102.98476	100.0
103.98870	1.1
110.77007	0.5
111.00744	0.6
113.00559	0.5
113.02345	0.5
120.99535	4.3
124.66768	0.4
124.95583	0.5
128.73038	0.5
135.04387	0.6
136.93933	2.0
156.99498	0.5
163.00610	4.2
165.01855	0.9
171.08035	0.8
178.95032	1.3
184.87234	0.5
195.06512	0.6
197.09685	1.2
215.10701	3.4
246.43436	0.4
255.11754	0.5
266.54651	0.4
274.79236	0.5
293.08603	1.0
293.43143	0.5
340.06137	0.6
346.32132	0.5
363.03848	0.9
423.05542	0.9
423.94403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23005	0.4
59.01242	1.3
62.45656	0.4
62.65117	0.4
71.29388	1.1
78.95779	4.4
87.86572	0.4
110.98395	3.4
152.99474	1.2
167.01064	1.3
185.02124	3.5
198.82651	0.4
253.21693	100.0
254.22023	8.9
349.70035	0.5
371.47678	0.4
421.23676	4.1
422.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.5
59.25336	0.5
63.87710	0.4
66.91878	0.5
69.15730	0.5
70.45587	0.9
70.45977	0.9
78.95773	31.1
80.96384	0.6
85.16837	0.5
92.53087	0.5
95.44021	0.5
110.46149	0.5
110.98415	56.4
124.29608	0.5
152.99507	4.9
167.01051	1.1
185.02129	100.0
186.02470	2.6
192.90987	0.5
205.14612	0.5
210.52481	0.5
248.90746	0.5
253.21704	25.1
254.22095	2.5
339.19781	0.7
421.23584	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36172	0.6
78.95772	28.9
93.60587	0.5
110.98409	52.7
152.99504	4.3
167.01080	0.9
185.02122	100.0
186.02478	2.2
235.52249	0.5
241.13017	0.5
253.21710	23.6
254.21967	1.5
338.32996	0.5
381.37646	0.5
421.23788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46772	0.5
59.01252	100.0
60.01593	1.2
71.01245	4.5
73.02821	2.4
79.95610	6.5
82.98773	0.6
83.01270	1.2
85.02837	2.3
87.00755	1.8
89.02338	2.1
95.95118	1.1
96.95892	28.0
98.20654	1.1
98.95488	0.9
101.02320	3.7
113.02366	1.6
119.03424	0.9
137.02429	0.9
161.04506	1.5
165.01907	1.7
179.03371	0.7
182.11365	0.6
191.05630	2.2
195.06682	1.0
197.09764	0.8
215.10793	0.6
219.98570	0.6
241.08699	0.7
249.05527	0.6
260.81192	0.6
340.99524	0.6
360.48819	0.6
361.18738	0.9
373.13086	1.6
421.20728	11.8
421.25711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01585	0.6
70.17258	1.5
71.01263	2.4
72.99188	0.4
73.02829	1.5
78.57362	0.3
78.95768	0.5
79.95621	1.2
85.02805	0.5
87.00748	0.6
89.02316	0.9
96.95883	22.2
98.95490	0.6
99.00762	0.7
101.02311	1.4
118.97991	1.2
129.52510	0.4
134.40799	0.3
159.02853	0.4
161.87779	0.3
171.08043	0.4
180.36726	0.3
191.05495	0.7
197.09712	0.4
199.13376	0.5
217.14354	0.5
271.15494	0.5
319.17667	0.6
337.04016	0.5
361.18686	0.6
361.22537	0.9
421.20532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46772	0.5
59.01252	100.0
60.01593	1.2
71.01245	4.5
73.02821	2.4
79.95610	6.5
82.98773	0.6
83.01270	1.2
85.02837	2.3
87.00755	1.8
89.02338	2.1
95.95118	1.1
96.95892	28.0
98.20654	1.1
98.95488	0.9
101.02320	3.7
113.02366	1.6
119.03424	0.9
137.02429	0.9
161.04506	1.5
165.01907	1.7
179.03371	0.7
182.11365	0.6
191.05630	2.2
195.06682	1.0
197.09764	0.8
215.10793	0.6
219.98570	0.6
241.08699	0.7
249.05527	0.6
260.81192	0.6
340.99524	0.6
360.48819	0.6
361.18738	0.9
373.13086	1.6
421.20728	11.8
421.25711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04597	1.4
53.43839	1.4
59.01253	22.6
70.77836	1.2
71.01259	7.2
71.58925	1.9
73.02818	1.8
75.00758	2.8
78.95783	2.7
79.01383	1.4
79.95600	7.1
83.04890	2.2
85.02834	5.5
87.00755	2.4
89.02347	2.8
89.21372	1.7
93.03323	1.9
95.95108	2.0
96.95892	23.9
99.00783	4.9
101.02328	5.5
113.02345	4.7
116.97147	2.0
117.01803	2.0
124.77705	1.3
135.04382	2.6
145.01295	6.9
161.04390	2.1
183.13841	7.4
191.05502	4.4
195.13846	6.3
207.05029	2.7
213.14912	100.0
214.15262	6.0
227.16605	1.8
245.66916	1.5
292.75070	1.5
340.06219	2.5
420.70935	13.0
421.20093	3.8
421.24426	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00307	0.3
59.01250	100.0
60.01594	1.0
69.14923	0.2
70.92505	0.4
70.92825	0.5
71.01264	1.0
79.95607	1.2
85.02859	0.4
89.02356	0.4
95.95148	0.3
96.95895	5.3
99.00764	0.6
101.02340	1.1
133.02824	0.3
145.01346	0.9
146.03627	0.3
177.01907	0.7
191.05563	0.5
289.16501	0.4
319.17487	0.5
340.06079	0.5
404.21298	0.4
421.24677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.2
58.02850	2.9
58.50968	1.1
59.01249	8.3
59.26768	0.9
63.45829	1.0
69.93554	2.5
69.93967	4.1
70.02848	12.0
71.01292	1.6
71.04887	13.7
74.11568	1.1
87.05512	5.3
89.02332	1.5
92.67950	0.9
96.95895	6.9
98.19942	1.8
99.04392	6.3
101.02345	1.7
105.13107	1.2
116.07058	3.4
123.04405	2.8
129.05479	1.3
130.03209	9.2
146.08122	80.0
147.05901	4.1
147.08449	2.3
165.05518	1.3
213.78885	1.1
217.11897	19.0
277.12238	100.0
278.12585	5.1
398.86874	1.3
421.16629	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	421.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10363	0.2
57.03308	0.2
59.01250	2.1
60.09702	0.2
61.98710	0.2
62.89077	0.2
68.99685	0.2
71.01250	0.5
71.12653	0.3
72.99185	0.6
83.01266	0.3
87.00748	0.2
89.02295	0.2
93.03342	0.5
96.95909	1.0
98.35526	0.2
99.00754	1.2
99.01338	0.2
101.02316	0.5
113.02377	0.2
114.34450	0.2
117.01811	0.3
119.04913	100.0
120.05245	3.6
120.73976	0.2
133.02809	0.2
134.03674	0.4
135.04396	0.3
145.01328	3.1
160.84120	1.4
161.02376	0.2
163.03914	76.2
164.04242	3.3
205.04901	0.3
217.12129	0.2
223.13350	0.3
275.09259	0.5
311.75043	0.2
379.22635	0.2
421.23398	0.5
421.95135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.5
59.01248	5.6
59.14413	1.0
60.91298	1.2
63.02258	5.0
65.00204	19.0
78.95786	2.3
81.03335	3.5
83.01254	11.2
83.04881	1.1
89.11380	1.2
93.03318	3.1
96.95871	3.0
102.62753	1.3
107.01275	25.7
123.04392	10.9
124.01566	2.8
125.02350	20.1
126.67575	1.3
137.02351	1.6
146.03683	2.0
151.00272	77.7
152.00656	1.9
152.99548	1.6
157.02859	3.8
158.03542	1.5
161.02356	24.3
165.01901	1.9
166.02591	1.2
167.03418	19.2
169.01328	3.9
171.75983	1.1
172.05217	6.2
174.03128	3.3
177.01846	1.4
181.42650	1.1
185.06007	1.4
187.03899	2.6
189.01788	3.4
197.06001	2.8
199.03943	1.8
200.04706	5.0
209.05971	2.2
211.03996	1.6
211.07579	4.8
225.09094	6.1
226.09792	2.5
227.03577	1.6
229.26494	1.6
233.05956	1.9
237.05533	1.5
240.04187	1.6
241.05000	1.8
241.12308	31.3
253.08644	2.0
255.02979	7.8
261.05698	1.2
265.05121	2.1
265.12244	1.6
267.10278	1.9
267.79794	1.2
269.04562	2.0
269.11826	26.2
270.05261	3.2
270.12103	2.0
277.05096	2.5
281.04617	1.8
283.02582	1.4
291.10242	2.8
295.09653	4.5
297.04056	16.3
298.04819	14.3
299.05301	1.9
305.76019	1.1
306.05417	8.0
307.05991	1.3
309.04037	60.4
310.04364	5.0
317.11969	1.8
319.09747	2.5
323.05612	2.4
324.02612	2.5
324.06311	2.2
326.04187	2.7
330.03772	2.1
331.05997	2.1
334.04892	1.5
337.03595	1.5
352.05807	2.2
361.11023	15.4
374.11636	2.1
375.12488	5.8
393.13565	7.6
402.43326	1.4
403.06311	2.0
403.11853	78.3
404.12180	7.6
421.12918	100.0
422.13257	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	421.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
59.01256	5.4
63.02277	1.4
63.78506	0.9
65.00205	8.2
71.01308	1.1
71.58243	1.4
78.95761	1.6
82.88196	1.1
83.01260	4.3
85.02824	1.6
87.00754	1.4
93.03322	3.7
96.95885	3.3
103.91920	1.2
107.01276	11.7
107.94668	1.1
109.02822	1.5
121.02817	1.1
123.04375	1.5
124.01521	3.0
125.02337	12.2
127.80882	1.0
127.81966	1.0
132.33574	1.0
135.04407	1.5
141.09158	1.0
149.02347	1.1
151.00279	46.7
151.01514	2.2
152.00661	1.2
152.99487	2.3
159.04399	1.7
160.05106	1.2
161.01054	2.3
161.02351	28.4
162.02957	1.3
167.03453	5.5
169.01329	1.4
171.04449	2.2
172.05171	7.2
173.04413	1.5
175.03928	11.3
176.04597	1.6
177.01852	2.0
179.08116	1.1
183.04401	5.7
187.03934	6.5
188.04614	3.2
189.01782	1.2
191.05553	10.8
196.05191	3.1
198.03168	3.0
199.03935	2.3
200.04726	7.5
200.34457	1.1
203.03444	2.1
204.04108	1.9
209.06068	2.6
210.06786	1.8
210.12570	1.2
211.03973	2.5
211.07536	1.3
212.04567	2.2
213.05536	2.0
214.02615	3.1
215.03444	4.6
223.03925	1.6
224.04752	17.9
225.05348	3.8
226.02626	3.5
227.03435	9.0
233.06052	2.5
235.04053	1.3
236.04776	2.2
237.05484	5.5
238.06435	5.2
239.03459	2.1
239.06970	1.3
240.04271	3.2
241.04988	2.1
241.12259	2.2
243.03003	2.8
248.04727	4.3
249.05528	4.5
250.06424	1.9
251.03456	3.7
253.05060	8.1
254.05702	1.5
261.05600	3.7
262.06216	3.0
263.03522	7.4
263.06226	1.1
264.04260	8.9
265.04932	3.7
266.05777	4.6
267.03040	2.5
267.06500	2.0
269.11786	3.6
270.05563	1.3
277.04965	5.0
278.05820	2.2
279.06540	3.7
280.03839	1.6
280.07364	4.0
281.04507	4.3
282.05179	2.6
283.02966	2.1
283.06076	4.4
285.50940	1.4
286.04788	1.1
290.06055	2.3
291.06696	1.4
293.04605	3.1
295.06152	2.3
296.03165	3.2
296.06491	1.4
298.04791	1.2
303.06866	2.5
305.04489	4.2
306.05322	8.5
307.06091	5.5
308.06854	1.9
309.04022	29.5
310.04190	1.8
311.05527	1.6
322.04727	3.3
323.05609	21.9
324.06158	2.8
333.04016	2.9
334.04810	18.8
335.05518	5.4
337.03525	1.2
349.88995	1.1
351.05075	7.7
352.05865	100.0
353.06146	7.7
361.11176	8.8
366.03821	6.8
392.09433	1.5
403.11810	4.8
421.12933	65.8
422.13354	8.4
429.00592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.6
64.73290	1.4
68.70359	1.2
69.53030	8.2
69.53439	2.3
71.01263	3.5
74.06982	1.4
75.00746	52.1
75.33308	1.6
79.95619	4.1
83.56086	1.3
85.02847	1.6
87.00752	1.8
89.02342	4.3
91.01803	1.6
93.03315	2.7
96.95892	65.3
100.64231	1.4
101.02314	3.2
103.00253	1.8
108.02039	10.7
119.03425	1.5
119.86095	1.5
121.02820	8.5
122.03617	7.5
123.04420	13.4
126.49160	1.3
137.02390	1.8
144.98933	1.5
147.04419	1.9
149.02344	27.8
150.03137	72.7
151.03841	7.2
152.01070	32.4
164.04753	7.8
165.05487	100.0
166.05917	4.1
167.03416	96.8
168.03773	4.5
180.04187	5.4
181.04942	4.5
191.05446	2.3
195.06564	60.1
196.07021	3.3
225.03976	41.2
226.04369	2.2
239.05511	2.1
243.60449	1.5
256.07428	11.5
259.11893	1.8
271.09732	5.3
315.08749	42.3
316.09070	2.9
363.10855	49.3
364.11194	3.5
373.09229	4.7
421.11206	10.5
421.15695	3.5
421.20755	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64511	0.6
58.00471	1.0
59.01247	100.0
59.26642	0.5
60.01583	1.0
70.30016	0.9
70.30406	1.3
71.01250	18.5
72.99179	1.8
73.02811	0.8
73.84129	0.5
75.00744	0.7
83.01276	1.0
85.02814	3.1
87.00764	1.9
89.02312	27.1
90.02623	0.7
95.01264	1.3
96.95912	0.8
101.02309	11.1
113.02330	7.6
119.03379	11.2
131.03394	1.6
143.03415	2.0
144.69882	0.5
149.04483	1.0
161.04478	3.2
179.05542	5.8
215.16487	2.0
277.99054	0.6
302.90140	0.6
359.20953	1.5
377.21738	2.6
379.59988	0.6
419.10452	1.0
419.22519	4.0
420.23489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.12568	0.6
59.01247	3.2
71.58694	1.0
78.95736	0.9
81.00029	0.6
88.98676	1.2
89.02363	0.6
91.04654	0.6
96.16071	0.5
97.24101	0.6
121.02837	100.0
122.03205	3.7
246.13713	0.7
387.94763	0.7
420.27502	57.2
421.27850	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	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01583	0.9
67.36896	0.3
70.89720	0.8
75.26098	0.2
76.66852	0.3
96.95887	0.3
113.31184	0.3
116.48463	0.3
130.00801	0.3
317.19769	0.3
348.18164	0.3
357.88541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.9
60.01585	0.4
60.79848	0.4
69.86673	1.1
69.87086	0.6
71.01257	0.4
87.04388	100.0
88.04720	2.1
99.00830	0.3
163.00313	0.8
178.88260	0.4
190.99750	2.3
206.02130	0.6
419.11450	0.5
419.17041	1.1
419.22601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48262	14.3
59.01239	100.0
61.98687	13.3
69.93563	71.9
90.81789	12.4
96.95887	17.4
99.00791	17.0
104.28577	13.2
125.02330	14.4
130.08797	13.9
177.48573	15.5
178.88295	26.5
218.40414	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70035	0.7
56.13498	0.6
59.01248	98.3
59.95905	0.5
60.01598	0.8
69.57760	0.5
71.01292	0.6
71.58371	0.5
71.58839	0.7
71.61817	0.5
74.13387	0.5
74.47643	0.5
76.60636	0.6
77.12587	0.6
87.04385	100.0
88.04706	2.0
97.06448	0.6
101.02290	0.7
103.07155	0.6
103.91911	0.5
118.59270	0.6
125.69643	0.6
127.79252	0.6
127.82555	0.7
171.18309	0.7
190.99709	1.9
278.58005	0.6
374.06335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.58205	24.2
91.29157	14.4
91.73618	14.9
96.36736	16.9
130.94081	15.1
149.49965	13.1
178.88295	28.4
277.84735	14.1
336.93930	20.7
392.70047	15.8
416.36008	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02154	1.1
55.01760	1.5
57.03302	3.3
59.01248	71.0
69.03318	2.0
69.79408	7.0
71.01252	24.9
71.04855	1.6
72.99184	2.3
73.02811	11.5
79.22837	1.1
79.95589	1.4
80.46442	1.1
83.01265	4.3
85.02827	11.2
85.06451	2.1
85.97150	1.1
87.00745	7.3
87.04384	3.8
89.02316	6.2
92.00217	1.1
93.03336	1.7
95.01250	1.5
96.95335	1.9
96.95889	16.9
97.96774	1.4
98.19879	2.3
99.00748	3.4
101.02319	17.7
101.05931	1.2
113.02313	8.7
119.03371	2.4
123.00819	1.2
123.04412	1.3
127.07543	10.6
133.02800	1.1
133.19569	1.1
134.03610	1.3
135.11655	1.5
137.02304	1.2
150.03088	4.4
153.12827	1.3
161.04425	2.7
165.05489	2.3
169.12238	2.1
191.05530	10.3
192.05885	4.1
193.84599	1.3
195.06555	3.4
197.11752	1.9
213.03909	1.3
215.12872	6.0
223.06075	2.3
252.49091	1.1
258.58698	1.1
276.90256	1.5
333.19241	1.8
355.04858	1.8
357.79794	1.3
359.17126	9.6
377.18170	22.1
378.18155	1.8
419.19156	100.0
420.19623	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12232	6.7
53.11646	7.8
59.01254	32.7
69.30461	17.2
69.30879	50.0
72.76054	6.9
96.95879	100.0
98.19727	13.4
133.02853	9.3
135.04379	12.1
161.02364	40.3
168.42770	6.4
176.03951	7.3
179.03448	12.1
191.05479	9.4
191.61414	6.2
225.26794	6.2
227.34982	6.6
270.37201	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	418.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09423	1.4
57.03313	1.6
59.01252	29.1
60.01579	2.8
65.95330	1.4
70.79488	3.9
71.01244	7.9
73.02812	2.7
75.00743	2.1
82.47388	1.6
84.00763	2.4
85.02807	5.6
89.02297	2.8
96.95869	2.7
99.00784	1.6
101.02324	7.8
113.02323	4.4
119.03413	2.3
143.03409	3.0
165.12759	6.4
179.29958	1.5
183.13802	19.1
195.13853	9.6
197.11722	3.3
211.13318	2.7
213.14909	100.0
214.15242	7.1
227.12852	15.7
247.13733	8.9
256.15512	6.5
418.19266	2.5
419.22861	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	417.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07018	0.5
55.01756	3.4
55.60247	0.4
59.01243	2.0
60.65826	0.4
71.01250	1.7
71.57680	0.4
71.58024	0.5
78.82075	0.4
83.14075	0.4
99.00753	100.0
100.01103	1.7
113.02370	0.4
219.14102	0.4
282.33057	0.5
328.09842	0.4
330.56461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
57.03316	4.7
58.00469	4.0
59.01249	80.5
60.01575	0.8
65.15419	0.6
69.03304	1.4
69.46620	1.5
69.47041	4.0
71.01252	100.0
72.01575	1.5
72.99184	4.5
73.02815	29.6
75.00755	1.2
75.02914	0.6
83.01256	11.1
84.02047	0.8
84.43018	0.5
85.02820	35.9
86.03180	0.9
87.00757	5.1
87.04391	1.8
87.15862	0.6
89.02315	38.9
95.01257	7.4
96.95897	1.4
97.02838	2.3
99.00761	11.5
101.02321	65.4
102.02664	2.1
107.01238	0.6
108.14742	0.6
113.02326	42.5
114.02701	1.2
118.68873	0.6
119.03380	16.1
125.02350	3.0
129.01843	1.2
131.03394	2.3
143.03391	5.4
149.04446	1.9
159.02890	6.3
159.51132	0.6
160.03299	0.7
161.04463	41.7
162.04832	1.8
169.12299	1.1
179.05504	4.5
195.13792	5.4
205.03551	1.6
213.14948	2.1
255.19626	2.2
271.07413	0.9
357.19073	6.3
358.19699	0.6
375.20120	10.7
417.13043	1.2
417.21155	23.4
417.25128	27.5
418.20529	3.2
418.26544	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33897	0.2
53.28394	0.2
57.03326	0.2
59.01254	100.0
59.18939	0.2
60.01595	1.0
69.29668	2.3
71.01269	0.7
73.02860	0.4
85.02798	0.4
89.02335	0.6
93.08012	0.2
95.66930	0.2
96.95863	1.2
98.19811	0.4
101.02323	0.5
108.18639	0.3
113.02340	0.4
119.03368	0.3
135.04448	0.3
144.79594	0.2
195.06602	0.2
220.70747	0.2
222.31447	0.3
310.77988	0.2
343.21469	0.2
417.06705	0.3
417.21320	0.4
418.06573	0.3
418.21399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19471	0.7
59.01248	100.0
60.01590	1.5
71.01272	1.6
71.58903	1.4
76.93607	0.7
78.95767	1.4
81.03352	1.1
86.92065	0.7
92.49272	0.7
96.95889	1.7
101.02331	1.5
111.08076	1.0
113.02356	0.7
119.04919	1.2
121.02851	2.9
125.09669	0.9
128.56108	0.7
137.87694	0.7
161.04507	1.1
173.08102	1.0
187.09784	0.9
215.27333	0.7
289.10834	2.0
381.14078	0.8
386.08331	0.8
417.08273	0.8
417.21533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	0.9
71.01253	0.6
71.57552	0.6
73.02844	0.8
76.60378	0.3
76.81241	0.4
79.95631	0.3
87.00774	0.4
93.03352	1.3
93.83683	0.4
96.95907	1.6
101.53391	0.4
103.91886	0.9
107.97380	0.4
122.89276	0.6
173.04448	0.6
210.38069	0.5
219.13824	0.5
247.04362	0.4
263.12833	0.9
283.06342	0.5
329.23279	0.7
369.80972	0.4
381.13559	0.7
417.11493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37500	0.3
59.01246	100.0
60.01583	1.3
70.05640	1.1
71.01225	0.3
98.20448	0.5
101.02319	0.4
113.02370	0.5
135.04446	0.4
152.51712	0.3
171.10225	0.6
195.13838	0.6
211.13380	0.4
213.14978	0.3
343.24820	2.7
383.92740	0.4
423.39255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.4
57.20755	1.3
59.01247	35.0
69.66266	9.4
71.01250	14.1
72.99197	2.0
73.02821	2.8
74.24522	1.5
75.00766	2.3
79.95603	21.8
81.95186	2.2
83.04898	2.1
85.02850	3.5
87.00733	14.5
88.01122	1.6
89.02333	5.1
90.77612	1.3
96.95882	100.0
97.95805	1.7
98.95435	7.3
101.02316	8.2
113.02315	5.6
119.03437	2.3
136.02847	1.3
139.42946	1.4
155.19768	1.3
161.04457	5.7
165.09067	1.4
175.85071	1.3
182.31062	1.2
337.14413	1.6
357.15408	2.1
399.19363	1.7
417.08017	1.6
417.21188	12.1
418.08463	1.7
418.21228	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72331	0.3
53.05185	0.4
59.01250	100.0
60.01583	1.1
70.34766	0.3
70.71420	0.9
71.01257	1.0
72.59946	0.3
80.80582	0.3
85.02827	0.4
87.00770	0.4
87.05443	0.3
96.95905	0.5
101.02318	0.7
103.91938	0.7
111.08041	0.6
121.02856	1.2
124.21844	0.3
125.09642	1.0
128.48849	0.3
165.91631	0.3
173.08122	0.6
187.09750	0.6
196.75557	0.3
233.77368	0.3
244.06741	0.3
323.09607	0.6
328.93964	0.3
343.21118	0.4
359.06976	0.5
381.13770	0.8
417.11566	0.9
417.21240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01586	1.0
68.30412	0.3
70.32587	1.3
71.01263	1.2
72.99203	0.4
73.02818	0.5
75.00748	0.4
85.02854	0.3
89.02325	0.7
96.95901	0.9
101.02363	0.7
103.91944	0.5
115.00282	0.7
116.92778	1.3
121.02874	0.6
133.01338	2.0
152.47340	0.3
156.88893	0.4
176.95520	0.3
213.14996	0.8
217.12331	0.9
315.18118	0.4
417.21555	0.8
418.06100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46452	1.2
55.01762	1.6
58.00446	1.4
58.68355	1.0
59.01251	72.5
60.01559	1.7
65.01694	1.1
71.01254	36.1
71.37254	2.5
72.99176	2.1
73.02818	30.9
77.82096	1.0
83.01265	8.2
85.02800	7.4
87.00731	2.8
89.01822	1.3
89.02323	14.9
94.00394	1.0
95.01298	2.5
101.02321	33.6
113.02316	11.6
117.36346	1.3
119.03365	3.9
125.94333	1.1
129.42345	1.0
137.64905	1.2
143.83301	1.0
161.04543	1.6
183.13808	1.3
185.81750	1.0
195.13846	18.2
213.14857	6.7
328.29968	1.2
357.19193	15.8
358.19540	1.2
365.44760	1.2
375.20200	38.0
376.20642	4.0
417.21283	100.0
418.21588	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80732	0.3
55.01756	1.0
57.03320	0.9
58.00468	1.4
59.01250	67.0
60.01588	0.4
65.67685	0.4
66.64642	0.4
69.03329	0.8
71.01250	35.8
71.57657	0.7
72.01633	0.4
72.71825	0.4
72.99180	2.2
73.02816	24.5
75.00759	0.6
78.95776	1.1
81.09357	0.4
83.01254	8.2
85.02816	8.0
87.00745	3.3
89.02319	13.5
92.69051	0.3
94.73273	0.3
95.01269	1.9
96.95895	0.5
97.02853	1.1
99.00750	1.4
101.02318	26.5
113.02320	11.9
114.02708	0.6
119.03371	4.8
124.01513	0.6
125.02344	1.5
131.03412	0.9
134.93280	0.4
143.03395	0.9
149.04295	0.4
161.04491	1.6
183.13799	1.4
188.63654	0.4
195.10094	0.5
195.12019	0.9
195.13824	16.2
196.14137	0.7
209.15431	0.8
213.14890	8.3
214.15305	0.8
214.23672	0.4
271.07336	0.7
273.40646	0.4
283.07382	0.4
301.16635	0.5
311.06772	0.6
357.19162	16.7
358.19522	1.6
375.15167	0.6
375.16553	0.6
375.20193	35.2
376.20410	3.3
417.21271	100.0
418.21613	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.6
57.03321	2.2
59.01249	100.0
68.99675	0.8
69.03322	1.2
69.57339	5.0
69.57755	1.6
71.01250	37.4
72.99181	3.2
73.02816	10.5
75.00742	1.2
81.96275	0.8
83.01263	4.4
85.02817	13.0
87.00758	2.4
89.02304	8.2
89.69163	0.8
95.01266	2.3
96.95883	5.3
98.20558	0.8
99.00751	3.6
101.02316	21.5
111.08040	1.2
113.02337	14.6
117.97175	1.0
118.56088	0.9
119.03391	3.2
131.03375	1.0
139.07549	16.5
143.03394	3.0
159.02928	2.9
161.04463	38.9
166.02579	1.6
179.05544	2.0
181.04979	1.5
195.10208	2.8
205.03433	2.0
212.13574	0.8
221.37129	0.8
232.72618	0.8
357.15515	18.4
358.15955	1.5
374.11682	0.9
417.17160	4.5
418.09033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27169	0.5
55.01760	1.4
57.03335	1.0
58.00471	1.5
59.01253	100.0
60.01570	0.7
69.03331	1.1
70.89991	1.1
71.01256	41.1
72.99172	2.3
73.02821	39.6
73.88136	0.4
81.03354	0.7
83.01257	13.4
84.36758	0.4
85.02831	7.0
87.00751	1.7
89.02319	15.0
93.14202	0.5
95.01279	1.9
95.75243	0.4
96.95895	3.8
97.02855	0.8
98.20470	0.5
99.00775	2.3
99.04429	0.6
101.02325	42.2
113.02328	10.2
113.03056	0.8
117.01823	0.5
119.03394	5.3
125.02319	2.5
126.03139	0.7
131.03397	1.9
141.44653	0.5
143.03391	3.8
149.04424	2.4
151.00323	0.5
155.03387	1.2
155.19012	0.4
159.02977	0.8
161.04463	9.0
166.02690	0.7
169.12215	0.6
177.09125	3.2
181.05061	0.7
194.42073	0.4
195.10153	1.0
203.05562	0.8
274.46091	0.5
331.17654	6.1
332.18140	0.6
369.44193	0.5
375.16574	1.3
399.16537	7.1
400.16696	0.8
417.17657	45.0
418.17886	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87268	1.4
56.23453	1.1
57.03319	2.7
58.00464	1.7
59.01250	100.0
70.30734	1.3
71.01249	27.9
71.05430	1.2
72.99176	4.3
73.02824	4.8
75.00758	5.4
83.01252	3.7
85.02825	9.9
87.00751	2.6
89.02322	24.5
92.07488	1.2
96.95905	4.7
99.00699	1.3
101.02312	16.5
105.01828	3.4
109.02853	1.8
113.02318	13.2
119.03374	9.2
120.99531	2.1
125.02308	1.7
129.01833	4.0
142.07199	1.3
143.03375	4.0
147.02890	5.4
151.24088	1.6
161.04453	19.5
177.09087	4.4
179.05519	6.3
195.10205	2.0
357.15494	23.6
358.15945	2.4
411.02817	1.3
417.17322	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	417.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03311	1.0
58.00493	0.5
59.01248	100.0
60.01592	0.8
69.82468	0.5
71.01251	16.4
72.99184	1.1
73.02810	4.6
79.95634	0.7
83.01243	2.2
85.02822	6.3
87.00753	1.3
87.04414	0.5
89.02312	8.1
95.01274	1.1
96.95889	3.0
99.00748	1.7
101.02321	12.2
105.06992	1.6
109.53434	0.4
113.02321	6.1
119.03397	3.4
119.04868	0.6
120.99538	0.7
125.02316	0.8
129.01761	0.6
133.02818	0.5
143.03372	1.1
147.04340	0.6
149.04454	0.5
159.02853	0.8
161.04433	5.1
179.05527	1.0
179.07155	0.5
195.13750	0.7
213.14896	6.7
237.14798	0.4
255.06534	0.5
255.19756	0.6
281.11676	0.6
295.13190	0.5
310.59464	0.5
339.12302	4.0
340.12448	0.5
357.13678	0.6
357.18845	2.7
374.54349	0.4
375.15796	0.7
375.20197	11.4
376.20490	0.5
417.20889	15.4
418.21182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1552
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
56.32997	0.4
59.01249	2.5
61.66565	0.4
65.00185	0.3
68.63129	0.3
69.03339	0.4
71.01237	0.9
73.02820	0.4
79.95592	0.8
81.03339	0.4
83.01299	0.4
85.02789	0.7
87.00764	0.5
93.03301	0.5
95.01251	1.6
96.95886	17.9
97.02791	0.5
98.95469	3.9
101.02303	0.6
107.04893	0.5
108.02074	0.5
109.02831	3.7
111.00784	0.5
121.02839	1.2
121.06490	0.3
121.79290	0.3
123.00761	3.8
123.04382	0.6
124.01588	0.8
125.02297	1.6
126.19407	0.4
133.02864	0.8
136.01541	0.4
137.02341	16.4
138.02995	0.4
139.00287	0.8
139.03908	1.0
147.04387	0.4
149.02336	1.5
149.05988	0.5
150.03098	1.1
151.00269	28.8
151.03877	1.4
152.01086	2.9
152.04713	2.8
153.01697	0.4
153.05443	0.5
159.04442	0.5
161.02339	0.6
163.03894	0.7
164.04735	0.5
165.01872	1.1
166.02623	69.0
167.03334	6.0
173.02284	0.5
175.03926	2.0
177.01840	4.6
178.02573	0.6
179.03427	0.8
181.04984	100.0
182.05318	4.5
184.03674	1.1
189.05453	0.4
190.02754	0.5
190.06224	1.0
191.03450	1.5
192.04218	1.0
193.04956	1.5
193.30342	0.4
195.02940	1.0
203.03439	0.5
204.04099	0.5
205.04965	1.7
205.08665	1.9
207.06613	1.7
219.06572	0.5
223.06299	0.4
243.06671	0.4
255.02960	0.4
283.06216	0.5
301.07092	0.5
314.08026	0.5
329.10373	0.6
357.09961	0.5
359.11353	2.6
371.15033	0.9
380.48056	0.4
387.05789	0.8
387.10803	16.4
388.11172	1.4
402.13181	12.9
402.18570	0.5
403.13586	1.0
417.06943	1.3
417.15549	30.5
417.20700	1.6
418.07748	0.4
418.15985	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73132	19.0
52.99258	17.7
59.01243	59.0
63.87942	17.0
71.57501	35.5
84.08397	17.6
95.45268	18.2
100.50639	20.0
120.87769	19.7
132.85101	19.1
160.84146	57.0
162.83821	100.0
211.29214	23.5
232.59276	20.4
237.56169	18.8
342.79449	20.7
415.06351	19.7
416.05728	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	417.1222
Annotation	Tryptoquivaline E
Peak:m/z	Relative Intensity
57.03321	10.9
58.99458	0.9
59.01240	7.2
65.52679	0.8
70.60041	2.9
71.01243	4.4
75.00760	1.6
87.00755	1.6
89.02281	1.2
96.95900	2.4
99.00697	0.8
101.02324	1.8
105.01836	1.3
110.45786	0.8
113.02267	1.1
113.30711	0.7
117.53799	0.9
119.03381	1.0
119.08534	1.0
120.99533	100.0
121.99854	1.6
131.10472	0.9
131.19754	0.9
135.02898	1.4
137.09564	1.8
143.07059	0.8
147.02905	2.2
161.04459	1.9
179.45299	0.8
189.12852	1.6
192.37047	0.8
199.20996	0.7
207.13734	1.5
233.11954	1.1
251.12827	3.4
264.91183	0.8
329.10553	10.6
417.12228	57.5
417.17383	3.3
418.12543	4.8
418.17389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53933	2.6
55.92812	3.4
59.01248	17.0
69.99251	4.6
69.99651	10.6
71.01252	6.1
74.98983	16.2
79.95599	3.8
89.02317	3.4
96.95888	100.0
98.20506	3.9
101.02321	4.9
113.02338	5.4
120.99540	5.3
136.99051	12.6
143.56102	3.3
154.29601	3.0
170.08925	2.9
171.08160	4.6
194.05745	6.7
209.08168	6.0
337.03799	6.9
369.76038	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03312	0.7
59.01248	100.0
59.71768	0.2
60.01588	1.0
69.03324	1.0
70.68380	0.8
71.01251	12.3
72.99184	0.9
73.02818	3.4
79.95602	0.3
83.01256	1.5
85.02819	4.0
87.00758	0.9
87.89769	0.2
89.02312	6.9
95.01268	1.2
95.95109	0.7
96.95886	7.1
96.96504	0.4
97.02821	0.6
98.95467	0.3
99.00780	0.9
99.01820	0.3
101.02319	7.3
102.02686	0.3
102.98472	0.7
113.02317	4.8
119.03379	2.4
129.01855	0.3
135.04408	0.4
143.03409	0.5
149.04507	0.3
161.04465	3.4
179.03494	0.4
179.05562	0.6
183.29686	0.3
185.00859	0.3
211.17033	1.0
231.02879	0.3
299.01715	0.4
355.20959	0.6
369.80371	0.3
373.22266	9.2
374.22885	0.6
415.10086	0.5
415.11642	0.5
415.18082	9.1
415.23434	1.0
416.18393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93166	6.1
59.01255	100.0
83.61634	5.5
149.97182	5.9
207.28619	6.9
208.80856	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	415.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06937	0.3
59.01229	1.0
65.49358	0.3
69.50800	2.3
78.95776	4.0
81.08842	0.3
84.91633	0.3
85.90580	0.3
87.73173	0.3
87.76499	0.3
96.96829	1.0
109.15730	0.3
111.83599	0.3
152.99486	21.6
153.99806	0.5
182.23076	0.3
261.22244	0.4
279.23273	100.0
280.23624	10.0
395.37064	0.3
409.62692	0.3
409.68243	0.3
415.22467	7.4
416.22992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01744	2.4
57.03307	2.2
58.00464	0.8
58.66228	0.5
59.01247	57.8
60.01605	0.6
71.01247	24.0
71.45795	1.0
72.99177	1.3
73.02814	12.9
75.00737	0.7
83.01247	5.0
85.02813	12.4
85.03286	1.1
85.99951	0.9
87.00757	1.1
88.64657	0.5
89.02312	5.6
95.01246	2.0
99.00765	2.7
101.02316	20.5
111.00781	0.8
112.01518	0.6
113.02322	8.1
119.03352	2.0
125.02292	1.5
143.03336	0.9
146.68942	0.6
161.04463	2.3
168.17044	0.6
193.12251	1.4
211.13310	2.0
329.19611	2.0
353.11801	0.6
355.17575	11.8
356.18173	1.0
373.18652	31.5
374.19055	2.5
415.19684	100.0
416.20010	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26321	0.5
52.85975	0.5
54.13500	0.5
55.01768	2.9
57.03329	3.6
58.00475	1.6
59.01251	99.2
60.01599	0.8
60.34451	0.5
69.03330	2.0
71.01253	38.4
72.05170	0.5
72.26784	0.5
72.99168	3.4
73.02818	13.8
83.01249	8.4
84.17839	0.6
85.02820	18.3
85.99982	1.2
87.00753	2.9
89.02314	14.8
93.74549	0.5
95.01268	3.8
96.95868	2.9
97.02847	1.6
98.19775	1.7
99.00750	3.9
99.85003	0.7
100.53786	0.5
101.02322	27.8
111.00790	1.1
113.02328	14.0
113.03057	1.0
119.03394	6.9
121.02841	1.8
121.06473	0.6
125.02363	1.6
131.03381	0.9
135.04407	0.7
135.07974	0.6
136.43726	0.5
141.05528	0.6
143.03459	1.6
149.04541	0.7
149.13222	0.6
155.29828	0.5
159.02876	1.1
159.37762	0.6
161.04471	4.1
173.13252	1.3
179.03448	0.8
179.05502	1.6
180.23477	0.5
193.12262	1.9
211.07602	4.4
211.13295	2.6
251.39468	0.6
253.05080	2.5
253.14522	0.9
257.74619	0.6
271.02548	0.7
282.25443	0.6
329.19629	6.5
330.19968	0.5
355.17612	10.0
356.18127	1.2
373.18680	23.6
374.18985	1.8
415.19690	100.0
416.20074	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	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.69599	0.3
55.01757	2.3
57.03332	2.4
58.00469	1.1
59.01249	64.6
60.01588	0.8
64.20752	0.3
68.91959	0.3
68.99669	0.3
69.03333	1.3
69.41989	3.1
71.01250	22.8
71.11284	0.4
72.99177	1.6
73.02816	10.4
75.00720	0.6
83.01254	5.7
85.02818	13.8
85.99964	1.1
87.00748	2.3
89.02314	7.2
95.01257	2.5
96.95885	1.2
97.02826	0.7
99.00747	2.7
101.02318	21.2
102.02681	0.4
111.00768	0.8
112.01559	0.5
113.02330	9.8
119.03399	3.2
125.02341	0.7
129.01788	0.3
143.03403	0.5
159.02887	0.9
161.04471	2.1
179.05475	0.6
193.12315	1.2
211.13319	1.9
250.19312	0.4
329.19754	2.1
355.17551	11.9
356.17844	1.3
373.18652	34.1
374.18915	2.7
406.51605	0.4
415.19693	100.0
416.20016	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01250	24.2
60.76668	1.4
66.33586	1.5
69.03316	2.2
69.57333	12.0
71.01255	10.9
72.99175	20.5
73.02813	3.4
75.00742	6.9
76.88409	1.5
79.95620	2.2
85.02827	4.9
87.00719	3.5
87.05540	3.8
89.02309	2.0
95.01274	3.8
96.95876	7.1
97.02822	4.2
98.02372	2.4
99.00787	2.7
101.02316	5.7
105.01787	5.8
108.02040	23.3
109.02840	23.0
115.56506	1.4
119.03347	2.3
120.99552	3.1
123.00754	1.7
123.04346	2.0
130.08580	2.6
135.02849	7.8
135.04378	2.9
138.39575	1.4
141.01817	3.2
147.02921	4.0
151.00603	2.2
151.03911	5.6
152.01059	23.9
152.88403	1.8
153.01846	18.0
153.05484	5.6
165.09189	1.9
167.03409	3.3
181.04979	93.0
182.05371	6.5
191.01886	2.7
196.03624	3.9
196.07321	73.1
197.07738	5.1
211.06085	7.8
211.09683	100.0
212.09979	4.3
315.07153	2.3
357.08252	2.8
397.20398	2.6
415.12271	36.1
415.21115	2.5
416.12915	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
70.74065	2.6
71.06873	7.2
128.72668	2.9
311.15118	2.9
337.76382	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.10276	1.7
62.04992	1.7
70.14811	7.6
73.61414	1.6
151.98676	1.7
248.31618	1.6
274.05930	1.6
362.55649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	0.2
58.26104	0.2
59.01244	0.5
70.92588	0.5
71.01254	0.2
79.95608	8.4
81.99996	0.2
85.02802	0.2
87.00751	1.5
95.94489	0.3
95.95110	5.4
96.95890	100.0
97.95821	0.4
98.95473	2.0
98.96298	0.4
101.28889	0.1
109.97492	0.2
112.26757	0.1
113.02308	0.2
127.50580	0.2
157.19815	0.1
170.69553	0.1
173.05962	0.2
186.06841	0.4
187.07590	0.2
192.98027	0.2
231.10321	0.4
275.09274	0.2
355.05115	0.5
358.10706	0.2
381.05878	0.2
388.53619	0.2
397.04736	0.2
414.04547	0.8
414.09344	3.5
415.08588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.2
57.03331	3.2
58.00466	4.6
59.01250	99.8
60.01580	1.5
69.03342	3.3
70.32466	2.2
71.01252	82.2
72.01602	0.8
72.99178	6.9
73.02817	10.3
75.00756	1.5
81.03336	2.5
83.01257	8.1
85.02823	17.5
85.99957	0.6
87.00747	14.5
89.02316	82.4
90.02652	1.4
91.03896	1.4
94.86568	0.6
95.01260	4.1
97.02827	8.8
99.00755	3.1
99.04406	1.3
101.02321	65.2
101.21946	0.6
102.02682	1.7
103.00257	0.7
111.00758	1.3
113.02329	29.6
114.02665	1.1
115.03893	0.8
119.03384	26.4
121.02821	0.9
121.06584	0.6
125.02333	14.3
127.03896	1.0
131.03406	4.2
132.14359	0.5
139.03893	1.3
141.01820	1.2
143.03400	11.3
149.04495	3.2
161.04471	12.1
171.00230	0.6
179.05534	25.5
180.05922	0.7
185.04471	2.1
203.05495	1.1
219.05037	0.6
221.06630	7.7
235.05836	0.7
235.08183	13.6
253.09251	8.4
263.07684	4.4
281.08664	0.7
287.07834	1.8
305.08795	2.0
323.09781	1.4
397.13629	1.1
415.14545	100.0
416.14935	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	413.2178
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
51.96514	1.1
55.01738	2.0
57.03300	2.0
58.00454	5.2
59.01249	100.0
61.98678	1.7
64.21278	1.0
68.99671	0.9
69.00189	1.0
69.25707	4.6
69.26132	6.6
69.87670	0.9
71.01250	58.1
72.99177	5.4
73.02814	1.4
75.84516	1.1
83.01260	2.7
83.04883	4.0
85.02824	11.3
87.00746	7.6
89.02314	78.2
90.02682	1.4
94.82436	1.0
95.01263	5.2
96.95850	2.4
101.02321	43.5
101.42040	0.9
113.02329	27.7
114.47337	1.0
119.03382	33.9
125.02348	1.1
131.03387	4.0
137.02342	2.4
143.03432	7.1
149.04471	1.3
161.04439	6.1
179.05511	16.8
215.07071	1.4
221.15405	1.2
229.08682	1.5
233.15419	80.5
234.15836	5.6
236.12102	1.2
237.11218	3.6
242.17624	1.0
249.23486	1.1
255.12172	1.7
283.11798	9.5
316.09476	2.3
358.80746	1.1
384.33755	1.3
413.16003	2.9
413.21698	31.3
414.21991	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
55.40405	0.3
57.03318	0.8
59.01251	100.0
60.01596	1.1
62.01558	0.3
63.95516	0.3
71.01253	8.1
71.12626	0.6
72.99194	0.5
73.02822	2.6
83.01274	0.9
85.02830	4.4
87.00741	0.5
89.02325	1.4
95.01293	0.5
98.31411	0.3
99.00781	1.0
101.02314	5.8
101.02915	0.5
110.82217	0.3
113.02340	3.6
119.03393	0.3
159.03009	0.6
161.04474	3.3
209.15395	1.9
243.89665	0.3
353.19797	2.1
371.20706	9.0
372.21255	1.0
413.21854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03317	1.4
59.01248	100.0
59.11398	0.4
60.01582	1.1
69.38307	4.1
71.01256	8.3
73.02813	2.8
77.85950	0.5
77.92665	0.5
83.01276	0.7
85.02821	5.1
87.00739	0.7
89.02327	1.6
89.22146	0.5
95.01284	0.5
96.95908	1.7
98.95503	1.2
99.00776	0.8
101.02325	5.9
102.98480	0.5
105.53168	0.5
109.43334	0.5
113.02328	3.4
131.15099	0.4
143.02286	0.5
146.41388	0.5
153.01894	0.5
159.02907	0.6
161.04478	3.1
209.15514	1.6
353.19785	2.0
371.20779	8.7
372.21146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03320	0.7
58.81941	0.2
59.01252	100.0
60.01585	0.9
65.63290	0.2
67.35072	0.1
67.77332	0.2
70.30159	0.6
71.01258	4.3
71.10944	0.1
73.02821	1.7
75.00745	0.4
79.95594	0.2
83.01247	0.8
85.02821	1.9
86.67673	0.1
87.00789	0.3
89.02308	0.8
95.01296	0.4
96.95899	0.7
97.02867	0.2
99.00757	0.4
101.02325	3.0
102.98494	0.5
113.02330	2.2
119.03428	0.3
125.02396	0.2
127.04411	0.2
132.15974	0.2
143.03439	0.3
147.11697	0.3
155.17007	0.2
159.02930	0.2
161.04477	1.1
191.05428	0.2
209.15414	1.0
285.03979	0.2
353.19739	1.0
371.20743	3.4
372.21378	0.2
412.71213	1.4
413.22015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65037	1.1
59.01252	10.5
63.22641	0.9
69.74950	6.5
72.99155	1.0
73.36949	1.0
74.73088	1.1
85.02824	3.3
88.02353	0.9
98.20580	1.1
121.67944	1.0
133.06483	2.4
142.90678	1.3
153.33369	1.0
160.01122	0.9
198.35893	1.0
199.38326	0.9
201.60457	1.1
226.10747	0.9
232.97585	1.0
261.46530	1.0
301.18076	34.1
302.18399	2.8
331.19116	100.0
332.19418	11.4
401.17972	1.4
413.19302	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	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	85.7
60.01580	0.6
69.03328	0.6
71.01252	2.8
71.58286	0.5
71.58697	1.2
73.02824	1.6
79.95596	7.6
85.02850	1.2
87.00770	1.1
87.54667	0.6
89.02311	1.4
95.77482	0.5
95.95108	4.8
96.95886	100.0
97.95818	0.9
98.95473	2.0
101.02322	2.4
113.02313	0.7
123.56885	0.6
169.11357	0.5
195.62675	0.6
413.07611	2.5
413.12823	0.8
413.18097	1.0
414.03995	1.6
414.09412	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	96.0
70.16803	2.9
81.35542	0.6
90.97012	2.0
97.96796	0.6
98.20593	0.7
102.11755	0.6
118.96515	1.1
132.98112	4.0
137.89406	0.6
158.47197	0.7
160.25996	0.6
174.99150	17.3
183.13846	0.9
195.13831	14.2
196.14056	0.8
213.14885	5.8
217.00230	1.7
243.05429	0.9
252.55775	0.7
267.09274	1.2
269.10620	0.8
283.08636	1.2
297.10107	6.3
299.11758	20.4
300.12039	0.8
306.65594	0.7
309.10144	1.5
311.11746	70.8
312.12009	4.6
343.10788	2.7
353.12762	2.3
355.10651	1.7
413.14914	100.0
414.15356	7.9
421.93936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23323	0.2
55.01754	0.4
57.03325	0.4
58.99471	1.4
59.01250	100.0
60.01584	0.9
60.39027	0.2
60.99046	0.4
63.78102	0.3
69.03324	0.4
70.77446	0.2
71.01255	5.2
72.99171	0.4
73.02829	2.2
73.65551	0.2
75.00726	0.3
77.99782	0.2
82.50418	0.2
83.01262	1.3
83.01707	0.2
85.02808	1.8
87.00758	0.6
87.17938	0.2
87.32779	0.2
89.02320	2.4
90.22333	0.2
95.01280	0.5
96.95908	1.7
99.00776	0.4
101.02309	3.7
101.02892	0.3
102.98474	8.3
104.98081	1.9
104.98804	0.4
105.98431	0.4
106.98557	0.4
108.02058	0.6
109.02825	3.2
109.31292	0.3
113.02328	2.9
119.03410	1.1
120.99528	0.6
123.04364	0.3
131.03441	0.3
137.02357	0.8
137.09637	1.1
143.03404	0.3
149.04448	0.3
152.01140	0.5
153.01843	2.4
161.04486	1.1
163.00638	0.6
179.03456	0.5
180.62968	0.3
188.04323	0.3
209.11621	0.3
209.15468	0.8
210.65501	0.2
213.14928	1.2
229.08614	0.4
237.14990	0.6
283.13638	1.3
316.09433	0.7
329.45969	0.3
353.16028	0.6
371.16812	0.7
371.20972	0.7
393.88889	0.3
413.18250	3.1
414.18399	0.5
438.60388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	29.9
67.20257	1.2
70.44691	5.1
74.96639	1.2
75.35064	1.3
75.61639	1.1
85.44316	1.4
96.95883	17.3
98.19841	1.7
98.95479	1.9
104.02566	3.6
118.38396	1.4
145.48204	1.3
148.01591	7.3
172.16147	1.4
175.04268	1.5
176.01065	71.1
177.01457	4.1
184.57925	1.3
191.03424	100.0
192.03760	4.2
291.10458	1.4
375.21848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45581	0.6
55.01762	4.6
59.01246	6.5
63.43865	0.5
66.05013	0.5
66.33558	0.5
67.01747	0.7
69.03326	100.0
70.03660	1.4
70.97997	1.5
71.01256	2.3
71.04910	1.0
72.99181	2.5
73.02819	1.1
78.95788	0.7
79.01757	1.6
85.02798	1.2
88.34407	0.5
95.01266	1.9
96.95876	3.6
97.02827	18.6
99.00755	26.2
100.01051	0.6
101.02316	1.6
108.80464	0.5
110.38953	0.5
123.00792	0.6
141.01840	7.5
150.05461	0.6
185.00835	72.1
186.01160	2.6
191.10641	0.6
203.01797	0.9
229.49448	0.5
356.38406	0.5
413.09042	1.1
413.14240	8.3
414.14819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77517	0.4
56.58568	0.4
58.48374	0.4
59.01238	0.7
59.46463	0.3
64.63490	0.4
68.84261	0.3
69.88096	1.7
78.95775	0.6
83.44840	0.4
89.57136	0.4
118.19024	0.4
152.99480	0.8
154.99883	0.6
166.24799	0.4
169.15887	3.8
183.13913	0.8
195.13835	12.4
196.14201	0.7
197.15431	1.6
213.14896	10.9
214.15306	1.0
215.16463	100.0
216.16801	6.2
411.31100	8.3
412.31613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39704	1.3
56.62860	1.1
59.01247	100.0
60.01582	1.5
63.22603	1.2
71.06808	2.8
78.95768	1.7
134.72888	1.3
138.34660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.08755	1.7
63.97726	1.5
64.40757	1.6
69.18457	1.5
69.41554	1.4
72.30717	1.7
95.91744	1.8
104.75900	1.8
134.26295	1.8
147.68224	1.7
196.65019	2.0
220.74345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01245	8.0
64.35706	0.8
69.03326	0.9
69.79291	3.8
69.79690	2.5
71.04884	1.0
83.04887	2.0
84.02045	1.4
96.95857	2.2
98.20452	1.3
99.08060	5.2
102.98485	1.3
106.48505	0.8
125.09604	1.6
127.07541	1.1
127.11168	1.5
136.17992	1.1
137.09665	1.6
139.11188	4.6
141.04024	1.1
141.09125	1.1
153.12779	1.2
163.11177	1.9
165.08794	1.2
165.12758	17.3
167.14287	1.1
171.10158	9.1
183.13820	3.7
193.08380	16.3
193.12059	1.6
199.13451	1.0
203.10393	2.1
205.12056	3.2
207.10005	1.6
209.07825	1.3
211.13310	19.5
212.13647	1.4
219.09935	2.0
221.11588	9.7
223.11676	1.4
229.14453	11.2
231.10037	9.0
233.11548	100.0
234.11888	4.7
249.11287	11.6
251.11406	24.8
251.12473	19.9
252.11597	3.0
259.02161	1.0
329.23309	47.8
330.23621	4.3
351.21481	76.5
352.21774	5.7
369.19287	1.2
395.20236	1.8
411.22711	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	AFP 07 (free acid)
Peak:m/z	Relative Intensity
55.01757	1.3
57.03323	1.6
58.00461	1.0
58.39434	0.4
59.01254	23.2
71.01257	17.6
71.01658	0.8
71.21907	0.5
72.99200	2.3
73.02816	3.6
78.95774	0.5
83.01264	3.1
83.04902	1.5
85.02830	7.9
87.00771	1.3
89.02322	7.8
95.01275	1.3
96.95895	7.5
97.06460	1.2
98.95474	1.3
99.00773	1.4
101.02330	11.4
102.02670	0.5
102.98488	1.0
113.02319	4.4
119.03377	2.2
119.08515	1.0
141.60036	0.4
175.13919	0.4
178.73122	0.4
183.90820	0.5
187.14761	2.1
187.86449	0.4
192.94870	0.4
197.64665	0.5
205.15901	1.2
226.64349	0.5
231.13858	16.3
232.14182	0.9
249.14915	4.0
256.37436	0.5
282.75082	0.4
411.20242	100.0
412.20627	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	411.2023
Annotation	AFP 07 (free acid)
Peak:m/z	Relative Intensity
50.85633	0.5
55.01752	1.3
57.03326	1.4
58.00458	0.8
59.01250	22.3
71.01249	16.6
71.58880	0.8
72.99165	1.8
73.02824	3.4
79.95606	0.6
81.90874	0.5
83.01263	2.2
83.04890	1.5
85.02827	5.4
87.00731	1.3
89.02321	6.9
89.84426	0.5
95.01247	2.2
96.95874	4.2
97.06454	1.4
99.00760	1.6
101.02325	10.3
113.02333	3.8
116.82732	0.5
119.03365	1.3
119.08549	0.8
137.02280	0.5
142.50931	0.5
158.55873	0.5
187.14859	2.1
212.74280	0.5
213.14832	1.2
222.60210	0.5
231.13841	12.7
232.14258	0.7
233.96782	0.5
249.14917	4.3
276.10077	0.5
293.56931	0.6
367.16257	0.6
407.73895	0.6
411.20187	100.0
412.15421	0.6
412.20560	10.1
412.26120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.202
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
50.93078	1.1
55.01738	1.2
57.03325	8.1
58.99478	1.7
59.01251	75.0
60.99039	3.3
63.53830	1.2
69.03329	1.6
71.01253	29.3
72.99162	2.2
73.02812	5.7
83.01247	4.7
85.02818	9.0
87.00739	2.0
89.02309	12.3
95.01273	2.5
96.95899	12.4
98.19750	2.1
99.00755	1.8
101.02316	18.5
102.98480	9.1
103.98788	2.5
104.98061	12.8
104.98737	2.0
113.02303	11.0
119.03361	4.7
137.09531	2.1
151.07478	1.4
161.04491	1.4
187.14914	1.3
192.11488	3.7
207.13831	29.1
208.14102	1.9
213.14842	6.1
229.43419	2.0
231.13869	5.8
237.86066	1.2
249.14958	2.5
411.15112	4.7
411.20169	100.0
412.20563	11.7
413.13184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42798	0.4
55.01751	0.7
57.03323	26.0
58.99472	1.7
59.01248	71.4
60.01571	0.6
62.54937	0.5
69.03319	4.3
69.25249	5.6
71.01253	12.1
71.04887	0.8
73.02819	4.2
75.46741	0.4
79.95613	0.7
81.03332	1.1
83.01259	1.7
85.02824	6.7
89.02328	2.0
89.62083	0.5
90.90995	0.4
93.03352	0.7
94.24474	0.4
95.01260	3.1
95.04951	0.9
96.95887	8.7
97.02852	1.9
99.00761	2.0
101.02325	6.1
102.98473	13.3
108.02051	52.7
109.02841	31.4
109.03592	1.2
109.06483	2.9
110.03175	0.9
111.08049	0.5
112.10870	0.4
113.02326	4.1
113.05978	1.7
119.03414	0.4
120.99561	3.6
121.02857	0.7
121.06490	1.4
123.00768	2.1
123.04398	1.0
123.08051	0.9
125.02364	0.9
134.03662	0.9
137.09628	8.2
139.07568	1.4
149.09636	1.4
151.03851	0.6
152.01054	53.4
153.01860	17.7
154.02170	0.7
159.02919	0.6
159.17442	0.5
161.04477	1.5
163.00595	1.0
163.03889	0.6
165.01894	0.6
165.12735	0.6
185.00870	0.6
189.12767	1.4
192.11475	15.3
193.11768	1.1
203.05449	0.6
205.08498	0.8
207.13835	100.0
208.14177	6.7
222.49402	0.5
231.13828	0.8
235.13251	0.7
249.14859	0.9
276.68436	0.5
281.12137	4.0
282.12503	0.6
315.07178	8.0
316.07443	0.6
344.59988	0.7
369.14236	1.0
369.18671	0.9
370.19614	0.6
411.12915	57.0
411.19940	4.5
412.13242	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	411.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80942	0.2
55.01754	0.4
57.03320	4.8
57.85456	0.3
59.01247	100.0
60.01584	1.2
69.03323	4.9
70.73043	0.8
71.01251	4.9
72.99181	0.5
73.02816	0.8
78.95780	0.3
83.01274	0.4
85.02834	1.0
87.00732	0.5
89.02324	0.7
96.95876	4.6
97.02814	1.5
99.00770	1.7
101.02333	1.2
102.98483	0.5
104.96255	0.3
108.02050	0.5
109.02833	8.8
109.06507	0.5
113.02360	0.9
119.03387	0.6
135.04385	0.5
137.09644	1.2
141.01816	0.4
145.06511	0.5
153.01839	12.7
154.02187	0.5
155.77997	0.3
156.66000	0.3
161.04485	0.3
171.04601	0.3
173.06114	0.4
179.03386	0.4
185.00838	2.6
187.03917	0.3
192.11488	3.0
193.11804	0.4
203.05574	1.0
207.13832	16.4
208.14275	0.6
215.07166	1.1
217.05043	1.0
231.14024	0.5
263.97357	0.3
411.14746	0.3
411.20200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31990	0.4
59.01250	100.0
60.01582	1.2
60.01868	0.4
61.98702	1.7
63.02011	0.3
65.07744	0.3
71.01251	3.7
71.57251	0.5
72.99178	0.4
73.02831	1.1
85.02814	1.0
89.02323	2.4
96.95904	1.7
99.00774	0.3
101.02330	2.2
101.70100	0.3
102.98470	0.6
113.02341	1.1
119.03418	1.0
143.03448	0.4
143.04521	0.4
161.04489	0.5
179.05533	0.5
243.13980	0.3
252.00397	0.3
292.11166	0.4
309.32080	0.3
327.21902	0.5
411.15192	0.4
411.20169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.2
58.00455	0.8
59.01247	100.0
59.10532	0.5
60.01604	0.7
61.57375	0.7
71.01247	13.1
71.07710	0.7
71.08023	0.9
72.99179	1.0
73.02810	12.0
80.96364	0.6
83.01263	3.5
85.02835	2.6
87.00742	0.8
89.02309	4.3
95.01257	0.7
96.95893	5.0
97.02841	0.8
101.02313	12.8
102.98493	2.2
113.02319	5.9
119.03427	0.9
128.26666	0.6
131.03320	0.7
137.09586	3.5
143.03413	0.7
161.04483	2.6
189.12764	2.7
207.13824	1.1
223.63231	0.6
243.12375	0.9
246.76987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	25.2
58.99475	3.2
59.01250	70.1
60.01585	1.0
68.74149	0.4
69.03330	3.5
69.23943	5.3
71.01251	9.7
71.04909	1.2
72.99164	0.5
73.02811	2.4
74.98960	0.7
77.19012	0.4
78.95766	0.8
79.95576	0.5
81.03333	0.9
83.01266	1.6
85.02820	3.1
87.00761	0.9
88.91837	0.4
89.02329	1.0
93.03379	0.6
95.01262	2.3
95.04924	0.6
96.95889	6.8
97.02841	1.4
97.06492	0.5
99.00768	1.3
101.02337	4.2
102.98473	19.2
108.02051	28.9
109.02845	16.1
109.06467	3.4
110.03230	0.8
113.02332	2.3
113.05978	0.8
118.10383	0.4
119.03387	0.9
120.99540	3.1
121.02810	0.5
121.06470	0.9
123.00785	1.3
123.04417	0.6
123.08077	0.9
125.02339	0.4
133.06502	0.7
135.04366	1.0
137.09621	7.4
139.07550	2.0
141.01753	0.6
149.09615	1.5
150.44690	0.5
151.07567	0.6
152.01054	31.1
153.01863	8.8
154.55782	0.6
161.04443	1.1
163.00598	1.1
165.12770	1.2
179.03374	0.8
185.00885	1.2
189.12756	1.4
192.11487	13.4
193.11893	0.8
203.05566	1.1
207.13838	100.0
208.14159	6.4
235.13339	0.7
281.12146	5.7
315.07220	3.5
351.12689	0.6
369.13773	0.9
369.19009	0.5
411.12897	30.0
411.20044	3.5
412.13254	4.1
412.20493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36425	5.9
59.01247	10.5
71.37289	12.1
76.43455	5.5
89.64274	5.7
101.29017	5.9
112.28468	4.8
123.04403	70.8
153.05481	100.0
179.60458	5.8
213.14934	57.3
265.67728	6.6
326.33496	5.5
375.20358	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	411.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36425	5.9
59.01247	10.5
71.37289	12.1
76.43455	5.5
89.64274	5.7
101.29017	5.9
112.28468	4.8
123.04403	70.8
153.05481	100.0
179.60458	5.8
213.14934	57.3
265.67728	6.6
326.33496	5.5
375.20358	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42798	0.4
55.01751	0.7
57.03323	26.0
58.99472	1.7
59.01248	71.4
60.01571	0.6
62.54937	0.5
69.03319	4.3
69.25249	5.6
71.01253	12.1
71.04887	0.8
73.02819	4.2
75.46741	0.4
79.95613	0.7
81.03332	1.1
83.01259	1.7
85.02824	6.7
89.02328	2.0
89.62083	0.5
90.90995	0.4
93.03352	0.7
94.24474	0.4
95.01260	3.1
95.04951	0.9
96.95887	8.7
97.02852	1.9
99.00761	2.0
101.02325	6.1
102.98473	13.3
108.02051	52.7
109.02841	31.4
109.03592	1.2
109.06483	2.9
110.03175	0.9
111.08049	0.5
112.10870	0.4
113.02326	4.1
113.05978	1.7
119.03414	0.4
120.99561	3.6
121.02857	0.7
121.06490	1.4
123.00768	2.1
123.04398	1.0
123.08051	0.9
125.02364	0.9
134.03662	0.9
137.09628	8.2
139.07568	1.4
149.09636	1.4
151.03851	0.6
152.01054	53.4
153.01860	17.7
154.02170	0.7
159.02919	0.6
159.17442	0.5
161.04477	1.5
163.00595	1.0
163.03889	0.6
165.01894	0.6
165.12735	0.6
185.00870	0.6
189.12767	1.4
192.11475	15.3
193.11768	1.1
203.05449	0.6
205.08498	0.8
207.13835	100.0
208.14177	6.7
222.49402	0.5
231.13828	0.8
235.13251	0.7
249.14859	0.9
276.68436	0.5
281.12137	4.0
282.12503	0.6
315.07178	8.0
316.07443	0.6
344.59988	0.7
369.14236	1.0
369.18671	0.9
370.19614	0.6
411.12915	57.0
411.19940	4.5
412.13242	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	411.1657
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
52.96442	1.4
57.03329	10.0
58.00451	4.7
59.01247	43.1
62.42846	1.5
69.03334	3.1
70.76080	1.8
70.76413	4.1
71.01244	13.3
71.03433	1.5
72.99201	2.0
73.02814	34.8
75.00752	2.6
78.95777	2.6
79.95607	6.2
83.04881	2.6
85.02823	10.7
87.00697	2.4
87.04379	10.6
89.02316	2.4
93.03358	8.9
95.04846	2.0
96.95883	80.0
98.95422	2.6
101.02299	5.4
101.73607	1.6
109.02814	2.0
111.04382	1.7
113.02316	6.6
129.01830	5.3
131.03397	8.6
135.23331	1.7
137.02313	7.4
152.99466	2.5
161.03468	3.6
179.03357	1.8
191.05534	3.1
197.13290	1.6
205.12358	2.5
215.14374	6.0
231.13910	2.0
233.15344	2.0
245.15424	2.1
247.13329	3.1
259.01260	3.0
259.13306	2.5
269.15515	3.7
277.14410	27.5
289.14331	5.7
291.12347	6.0
303.12363	1.9
313.48294	2.2
316.33127	1.9
321.13412	100.0
322.13754	10.1
331.15497	4.5
333.13513	2.3
333.87219	1.9
351.14359	9.0
363.85736	1.9
411.16565	48.7
412.16736	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	411.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
58.99467	1.3
59.00984	0.8
59.01247	10.1
61.98684	0.9
65.81741	0.5
72.97372	1.5
73.98175	5.2
74.98959	1.3
76.72218	0.5
78.95765	1.4
81.82018	0.5
83.04891	26.9
87.00745	38.1
88.01046	0.9
88.28158	0.6
89.00541	2.9
96.95866	2.1
97.06490	0.6
98.20654	1.0
101.00536	2.1
102.98469	4.9
120.99529	1.3
129.01807	4.1
141.07234	0.7
155.05112	0.6
167.05264	5.4
167.47321	0.7
169.06845	6.0
170.07515	1.9
201.12759	1.9
207.12039	1.0
207.13850	1.9
209.10023	2.5
235.11577	47.2
236.11841	2.9
253.12628	18.1
254.12944	1.4
263.11118	3.8
281.12146	100.0
282.12482	8.8
369.13705	11.1
370.13995	0.7
411.14835	6.0
411.20544	0.7
412.15100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03314	0.5
58.29706	0.3
59.01249	16.2
69.03323	2.7
71.01264	4.0
71.57420	0.5
72.99184	0.3
73.02815	1.2
79.02837	0.3
79.95609	0.5
81.03324	1.4
83.01241	0.8
85.02824	3.4
87.00741	0.5
89.02324	0.6
89.75148	0.3
93.03324	0.4
95.01247	1.8
95.04873	0.4
96.95889	6.1
97.02837	1.2
99.00745	0.9
101.02318	2.3
102.98463	1.0
103.00211	0.3
108.02049	39.3
109.02834	86.6
110.03176	2.8
113.02345	1.4
113.05959	1.1
121.02907	0.7
122.72504	0.3
123.00761	1.2
125.02307	0.3
133.02847	0.5
134.03636	0.4
135.04372	0.8
140.93466	0.3
151.03928	0.6
152.01054	36.4
153.01834	100.0
154.02182	3.7
161.02197	0.4
161.04457	0.9
163.03874	0.6
165.01825	0.5
185.00839	1.5
207.02916	0.3
207.13808	1.7
209.89503	0.3
243.12199	0.5
249.14868	0.5
315.07214	6.7
344.60275	0.6
411.12906	32.6
412.13174	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.2
71.01257	1.0
71.57828	0.7
73.02819	0.8
74.98966	0.4
79.95607	0.4
80.96422	0.4
85.02828	0.4
89.02310	0.4
96.95886	7.2
98.95428	0.4
108.02076	1.3
136.01581	2.0
136.99057	0.3
162.98784	0.3
163.00258	1.4
164.01091	1.1
190.99814	4.5
192.00566	91.6
193.00893	3.8
206.02214	0.8
207.02924	100.0
208.03239	4.4
248.03366	0.5
277.14511	0.4
297.34885	0.4
321.13483	1.8
411.09085	1.5
411.13309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.6
58.99468	6.6
59.01250	19.9
69.03326	2.2
69.30148	1.0
69.30550	5.6
71.01254	10.5
73.02811	2.2
74.98989	0.8
79.01790	0.8
81.03333	2.6
83.01244	1.1
85.02824	6.7
87.00754	0.8
89.02288	0.6
93.03359	1.4
95.01266	3.5
95.04936	0.7
96.95899	8.6
99.00774	1.4
101.02311	4.6
102.98472	38.6
108.02052	97.8
109.02841	59.0
109.06499	0.8
110.03160	2.2
113.02316	3.1
113.05956	2.9
120.99529	6.4
121.02832	1.7
121.35688	0.7
123.00805	3.7
133.02885	0.9
134.03606	0.7
135.00777	0.8
135.04446	0.7
137.09618	1.4
151.03932	1.4
152.01054	95.0
153.01851	30.4
154.02168	0.8
157.31433	0.6
161.04494	1.8
163.00607	2.6
163.03888	1.8
164.78064	0.7
165.01817	2.7
185.00925	0.8
192.11505	2.5
205.08667	2.2
207.13843	16.3
208.14207	0.9
218.95566	0.6
235.13371	1.7
272.56302	0.6
281.12177	12.5
315.07220	13.7
351.12607	1.6
369.13559	1.8
411.12927	100.0
412.13287	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	409.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
64.62721	0.2
69.38974	0.9
69.39399	0.5
78.95790	0.5
83.04870	0.2
96.95861	0.2
105.16672	0.2
130.96120	0.2
133.59259	0.2
152.99521	0.4
167.51938	0.2
171.84506	0.2
177.12801	0.4
183.13829	17.1
184.14203	0.8
195.13834	24.1
196.14124	1.3
211.13297	0.5
213.14900	100.0
214.15244	6.1
409.29587	9.4
410.30005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
63.26548	0.2
71.21961	0.3
71.22307	0.3
74.64022	0.2
78.95781	1.4
110.98416	0.6
152.16354	0.2
152.99492	1.5
167.01068	0.6
177.12762	0.5
183.13824	16.4
184.14180	0.9
195.13837	23.7
196.14146	1.4
211.13297	0.3
213.14900	100.0
214.15237	6.1
241.19321	0.4
241.21701	7.3
241.24155	0.4
242.22031	0.7
409.23602	1.1
409.29480	7.3
410.29892	0.9
420.13000	0.3
430.95892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.9
61.98653	0.4
70.71803	0.5
70.79694	0.8
70.80065	0.8
78.95755	1.4
93.75692	0.4
94.92380	0.8
95.53770	0.4
96.95868	1.2
102.98506	0.5
133.65312	0.4
152.99448	1.6
183.13826	11.9
195.13821	21.0
196.14143	1.4
213.14893	100.0
214.15247	6.3
220.93028	0.5
269.93777	0.4
409.16449	2.3
409.24152	0.4
409.29501	11.5
410.15845	0.6
410.29837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
52.09267	0.7
55.98198	0.6
57.07616	0.7
59.01245	2.6
69.80932	0.7
71.58012	1.0
78.95774	66.8
82.25700	0.7
96.96860	3.6
150.97917	1.7
152.99487	100.0
153.99785	1.5
166.15741	0.9
171.00526	1.6
183.13809	0.8
195.13824	1.6
213.14891	7.2
216.06242	0.7
245.61156	0.9
255.23238	1.5
391.28326	0.8
409.23550	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	409.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06487	0.6
59.01245	2.5
59.13646	0.6
61.98725	0.6
63.31907	0.6
69.79426	3.7
71.04898	0.8
78.95774	1.1
80.02544	2.4
80.91580	0.9
81.54647	0.7
83.04893	1.5
84.02048	6.5
87.57845	0.7
96.95911	1.9
98.20515	1.1
99.96918	0.8
102.98455	1.3
127.07513	0.7
129.09106	1.1
141.09113	1.8
145.88417	0.7
153.12761	1.7
158.98885	0.7
163.11201	3.6
165.08890	0.8
165.12755	0.9
176.72238	0.8
179.10728	1.5
181.12396	1.0
185.11781	2.6
191.06848	0.8
193.08469	1.3
193.12086	1.7
195.08708	1.2
197.11743	2.3
203.10495	2.4
203.12747	0.6
205.11977	1.6
207.09990	1.3
209.11766	16.9
210.12117	0.8
219.10007	2.7
221.11696	7.3
223.11790	3.3
227.12845	2.9
231.09995	25.7
232.10271	2.0
235.09538	0.9
247.09508	2.4
249.11237	100.0
250.11383	4.8
274.55026	0.7
309.11917	3.4
310.11960	0.9
310.65088	0.6
327.21732	8.7
349.18817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.5
57.11972	1.1
59.01252	12.2
69.03300	1.6
71.01242	2.9
71.04871	1.5
74.70011	1.2
78.95755	3.4
80.02554	1.5
80.91547	1.9
83.04896	3.0
84.02052	1.7
85.02817	4.7
90.06798	1.0
95.04883	2.2
96.95885	5.1
97.02809	3.3
97.06451	5.0
101.02343	1.5
102.98476	7.0
110.03629	1.2
110.24594	1.2
115.91992	1.4
123.07998	1.1
125.09578	2.0
127.07502	1.6
127.11166	1.6
134.03574	1.7
137.09608	3.5
152.99475	2.1
163.11143	3.3
165.12755	22.2
166.13097	2.2
171.10182	12.0
174.20979	1.2
178.02548	2.3
178.21104	1.3
179.10504	1.9
183.13773	3.7
186.30850	1.1
188.63776	1.0
193.08411	14.0
193.12274	3.3
197.11760	1.5
203.10487	1.9
205.12085	4.4
207.09956	19.6
209.07802	1.4
209.11807	2.5
211.13315	20.2
212.13673	1.8
219.09972	5.5
220.10306	1.1
221.11656	13.5
223.09612	1.1
223.11794	2.5
229.14389	10.3
231.09998	11.1
233.11551	100.0
234.11845	5.8
239.12866	1.9
243.09955	3.1
248.10240	1.6
249.10962	11.7
251.11391	37.2
252.11606	5.0
261.11084	23.5
262.11487	2.6
279.10971	1.9
291.19611	2.6
313.17798	4.7
327.21738	54.2
328.21967	3.6
331.18896	13.6
349.19888	92.7
350.20203	9.0
366.23209	1.2
384.16782	1.1
409.20032	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23692	0.3
59.01252	100.0
60.01590	0.9
69.03333	0.8
69.56497	0.3
71.01262	1.5
71.57836	0.5
73.02834	0.8
83.04920	0.5
85.02845	0.6
87.00739	0.5
87.28082	0.4
96.95912	2.3
99.00765	1.1
101.02312	0.9
111.68486	0.4
126.34189	0.4
134.03644	0.4
149.02426	0.4
150.03067	0.6
159.37564	0.5
165.05624	0.4
177.93660	0.4
185.00903	0.6
187.07585	0.8
190.45213	0.4
204.07948	1.4
205.08627	0.6
217.79578	0.4
231.10233	0.7
275.09183	2.1
276.09763	0.6
277.09915	1.5
293.10516	0.7
307.17615	0.7
349.18738	0.8
361.15851	0.5
367.18884	1.4
409.19763	4.7
409.28198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67118	0.6
59.01249	100.0
59.40938	0.5
60.01593	0.9
66.78742	0.6
71.01246	1.7
71.03757	0.5
73.14160	0.5
74.98960	0.7
85.02856	0.5
87.00739	0.8
89.19908	0.5
91.22227	0.5
96.95902	3.5
101.02314	1.1
108.02074	1.2
113.02406	0.5
113.96976	0.6
120.99493	0.7
152.01041	0.6
162.07101	0.5
163.00696	0.7
173.11827	0.6
269.09335	0.8
275.09341	1.0
277.09940	0.8
283.85898	0.5
303.11627	0.8
349.17474	0.6
349.26807	0.6
409.19894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
59.01248	100.0
60.01581	1.0
69.03334	0.8
69.26986	2.0
69.27406	0.9
71.01242	2.6
71.01543	0.3
73.02826	1.2
79.95631	0.3
80.85468	0.2
80.96402	0.3
83.01299	0.4
85.02828	1.1
85.31538	0.3
87.00771	1.1
89.02317	0.5
96.95895	2.4
97.02843	0.3
97.99197	0.2
101.02314	1.6
103.00269	0.3
112.98670	0.6
113.02332	1.2
122.78556	0.3
133.02840	0.6
134.03648	2.4
135.04111	0.5
136.04198	0.3
146.92836	0.3
161.04486	1.0
162.03156	0.4
178.02524	0.3
231.10179	0.7
232.10530	0.3
233.10860	0.6
236.69574	0.3
247.13275	0.3
275.09195	1.7
276.09662	1.3
277.09744	3.6
289.16690	0.8
307.17557	3.8
307.20450	0.3
308.18051	0.4
344.10437	0.5
349.18588	2.2
358.72974	0.3
397.34369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99472	18.0
59.01251	2.6
67.49770	0.2
69.48825	2.1
74.98974	2.6
95.17916	0.3
97.35022	0.2
100.34564	0.3
102.24265	0.2
102.98470	100.0
103.98901	1.2
120.99533	6.2
133.02794	0.3
134.03618	0.7
140.77771	0.3
149.05995	0.9
163.00612	4.3
171.11719	0.3
182.78090	0.2
215.10832	0.4
228.03497	0.3
233.11723	0.6
233.51837	0.3
277.09662	0.5
279.10626	1.7
322.13721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
58.99466	1.4
59.01252	13.3
59.17421	1.2
63.78385	1.4
70.07661	4.6
71.01273	1.2
73.98175	4.7
74.98967	2.9
78.95772	2.0
79.05398	3.2
87.00744	35.6
89.00525	4.3
96.37177	1.5
96.95906	1.2
98.20435	1.4
100.54829	1.5
101.00585	1.4
102.98450	6.4
107.04906	2.5
119.08543	1.8
120.99530	1.7
121.96194	1.3
129.01836	3.6
133.06435	1.5
136.14647	1.1
147.08020	2.0
152.99487	2.8
158.02005	1.1
161.09679	1.2
189.12744	4.2
191.82726	1.3
199.11171	5.7
205.10548	9.7
207.09923	1.9
217.12250	13.0
223.09404	1.0
223.11530	7.9
227.10712	4.3
232.97403	2.3
233.09999	7.8
251.11060	48.3
252.11404	4.5
261.09500	5.0
279.10574	100.0
280.10901	9.2
327.21738	2.3
367.12115	8.2
409.13040	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	407.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19607	0.5
53.42116	0.5
59.01250	100.0
60.01585	1.1
70.79425	1.2
71.01249	1.0
73.02852	0.9
79.95625	0.5
85.02840	0.7
101.02346	1.2
112.98705	0.6
113.02357	0.5
114.77697	0.5
117.46320	0.5
131.79883	0.5
134.03610	1.0
134.20274	0.5
144.96439	0.5
162.03160	0.7
211.13350	0.6
231.10263	0.8
232.97484	0.9
275.09357	2.2
297.80746	0.6
333.40942	0.5
347.24612	2.0
385.28757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58601	0.2
59.01246	3.4
61.94466	0.2
71.01263	0.5
71.59753	0.5
75.95919	0.2
78.95782	1.7
81.28116	0.2
83.04891	0.4
96.95879	0.3
96.96859	0.3
105.56271	0.2
109.06477	0.3
133.02823	0.3
134.03641	0.3
147.11688	0.3
149.13229	1.0
152.14856	0.2
152.99501	2.3
163.11137	0.5
165.12683	0.3
175.11122	0.3
177.12682	0.3
181.12238	4.0
183.13826	16.7
184.14139	0.8
191.10628	0.3
193.10448	0.5
193.12263	14.9
194.12587	1.0
195.13824	15.8
196.14250	0.8
211.13330	29.9
212.13702	2.0
213.14891	100.0
214.15245	6.7
221.09465	0.2
231.10342	0.3
239.20036	0.4
259.14297	0.2
275.09247	0.9
309.17465	0.4
407.22601	0.3
407.27988	6.9
408.28284	1.4
417.98550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	54.7
62.50754	6.5
71.44565	12.5
78.95775	60.8
96.95868	13.4
100.11851	7.3
102.54858	6.9
110.98396	6.7
130.67538	6.8
152.99477	100.0
167.01006	7.5
185.45581	6.9
239.20110	56.2
269.78683	7.4
275.09125	7.5
407.33267	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10964	15.9
59.01252	100.0
62.90393	18.1
67.52338	17.8
71.58690	33.6
78.95788	39.3
110.19150	18.5
130.87625	18.0
145.09755	30.0
239.20117	34.7
240.21864	20.9
265.14871	18.8
308.88348	17.8
407.32654	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2436
Annotation	Dimethamine
Peak:m/z	Relative Intensity
59.01241	11.8
61.98708	2.4
63.66561	1.1
71.58648	2.4
72.99187	1.5
78.95798	1.7
87.00763	2.4
96.95917	2.2
100.43237	1.3
105.03268	1.5
107.04915	1.8
112.98668	2.2
127.58881	1.1
133.02852	5.1
134.03645	5.6
135.04407	30.6
151.03896	1.3
162.03123	2.6
163.03917	78.1
164.04262	3.0
171.10115	2.8
174.99089	1.2
175.67535	1.3
178.02736	1.6
178.06308	2.3
183.13820	17.0
184.14301	1.5
195.13834	17.6
196.07314	1.6
211.09656	3.4
213.14888	66.0
214.15256	3.1
231.10283	3.1
249.11021	1.4
271.05188	1.1
275.09198	12.3
309.20609	2.8
347.18427	2.1
355.58087	1.3
362.21136	1.8
377.19617	48.8
378.20004	5.4
389.16263	3.0
389.23328	2.1
392.22043	28.2
393.22351	2.4
394.38007	1.1
407.24387	100.0
408.24658	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.75935	0.3
52.83532	0.4
59.01237	1.1
69.19064	0.3
69.84238	1.1
69.84643	0.7
78.95772	100.0
90.04707	0.3
96.96836	8.2
107.10736	0.4
135.14235	0.3
150.97891	1.6
152.99481	83.5
153.99841	1.1
164.58907	0.3
171.00545	60.7
172.00893	1.1
183.01128	0.4
211.13408	0.7
275.09332	0.4
297.28232	0.3
325.18362	0.8
407.22098	2.6
408.06580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96264	0.4
68.26365	0.4
75.88972	0.4
78.95774	100.0
87.29731	0.3
95.87733	0.4
96.96841	9.0
98.19731	0.7
124.31219	0.4
150.97903	1.6
152.99487	83.5
153.99812	1.3
171.00549	66.9
172.00911	1.0
176.13831	0.3
312.51544	0.4
350.11929	0.4
407.21942	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2047
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
57.03316	2.1
58.68658	1.5
59.01250	17.8
61.98698	1.7
69.03306	2.0
71.01242	3.3
71.04891	4.1
71.42522	1.7
71.57486	2.7
78.95776	7.2
80.02579	2.8
80.91525	2.0
83.04897	4.2
84.02021	5.7
95.04913	2.0
96.95888	25.0
97.06448	3.3
118.85706	1.8
119.46738	1.6
123.07993	1.7
133.02803	1.9
134.03589	4.3
153.12808	1.7
161.50504	1.7
163.11223	3.9
164.65669	1.6
171.10153	5.3
178.02649	3.0
179.10626	2.0
181.12189	2.2
185.11842	2.3
193.08403	4.7
193.12224	2.6
205.12102	1.6
207.10036	3.0
209.11794	20.3
219.10054	3.2
221.11578	6.1
223.11832	4.4
227.12773	2.4
231.10005	24.8
249.11261	100.0
250.11371	5.5
261.10992	4.1
265.07568	23.3
275.09402	2.5
284.78436	2.0
307.19055	4.6
309.12112	3.8
322.65393	1.9
325.09647	15.3
325.20200	18.6
326.20587	2.4
365.18732	1.9
407.20233	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
58.00467	1.4
59.01251	46.0
60.01599	0.8
69.43408	0.6
70.44389	1.8
71.01254	19.2
72.99159	1.2
73.02819	16.3
79.95605	5.1
80.96369	0.6
81.03362	0.8
81.95191	0.9
83.01263	5.7
85.02832	2.9
87.00755	8.9
89.02322	3.8
95.01301	1.0
95.95100	1.1
96.48990	0.6
96.95891	100.0
97.06462	1.2
98.19817	1.0
98.95475	19.5
98.96303	3.5
99.00702	0.7
101.02321	15.3
103.00249	2.3
104.85902	0.7
105.03355	2.8
111.20362	0.6
112.98700	6.0
113.02342	4.4
113.09617	2.7
114.64208	0.5
117.03356	0.7
119.03410	1.4
121.02835	0.6
121.12650	0.6
123.04401	0.6
125.02287	1.0
130.99762	0.6
133.02864	8.3
134.03642	18.3
135.04434	5.7
137.02357	1.9
139.11198	1.8
141.12756	2.0
149.00797	0.7
156.34941	0.7
157.12279	0.9
161.02316	1.7
161.04471	2.3
162.03133	5.4
167.10640	1.9
177.01837	3.9
178.02676	3.6
183.13759	0.6
185.11748	29.7
186.12030	1.0
187.07587	0.8
191.05539	1.4
203.10896	0.8
203.12822	2.3
211.15768	0.6
231.10248	14.2
232.10748	1.4
250.53879	0.6
275.09247	44.8
276.09598	4.2
282.95303	0.6
347.17075	5.3
365.18149	6.9
407.06683	6.7
407.19235	46.7
408.07581	4.4
408.19385	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27434	0.6
55.01742	1.8
57.03306	2.3
58.00457	2.1
59.01249	52.4
60.01593	0.7
71.01250	28.8
71.04864	1.6
71.58662	1.0
72.99184	6.0
73.02808	2.5
74.89299	0.8
75.00723	2.4
75.02306	0.7
78.95744	1.3
83.01256	1.6
83.04884	1.9
84.99194	1.1
85.02821	6.1
87.00749	17.8
89.02317	23.5
95.01240	1.4
95.04884	1.7
96.95868	2.1
97.06470	8.8
99.00764	2.4
101.02324	15.0
101.24627	0.6
103.00239	6.0
105.03348	3.8
106.04183	0.8
109.02843	1.6
109.06441	0.9
111.00732	0.8
112.98688	14.2
113.02337	9.3
117.03346	1.3
119.03395	8.0
120.99532	5.7
121.02802	1.4
122.03625	1.2
123.04417	1.0
123.08026	2.2
125.09594	2.7
127.11161	0.8
129.01852	1.2
133.02853	36.4
134.03635	80.0
134.13075	0.8
135.04510	6.6
137.02339	9.1
139.03835	2.0
143.03394	0.9
143.07108	0.9
146.66872	0.8
148.99759	0.8
149.00816	3.4
149.02312	1.0
150.03123	0.8
153.09088	1.2
161.02333	2.9
161.04469	1.5
162.03149	4.3
165.12726	3.2
171.10162	18.0
172.10445	0.9
175.03934	1.9
177.01849	19.1
177.05379	0.9
178.02631	28.4
179.03259	2.4
179.05547	1.6
181.12172	1.0
183.10182	1.0
183.13873	3.8
187.07579	1.3
191.10649	1.5
199.13318	1.3
203.07007	1.4
209.11761	18.3
210.12033	1.1
213.14958	1.9
219.02922	1.6
221.11815	2.0
227.12833	41.2
228.13223	1.6
231.10263	4.5
232.07338	1.7
245.13855	1.5
247.09761	1.4
247.15761	0.8
251.12859	6.3
258.95105	0.9
273.08545	0.7
275.09247	100.0
276.09543	9.2
309.06274	0.9
310.03415	1.4
310.06863	1.4
329.81726	0.8
386.69580	0.9
389.18256	4.5
407.19205	33.4
408.19714	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88604	1.7
59.01252	32.7
62.55989	1.7
69.77506	1.4
71.01241	8.6
72.99168	2.1
73.02825	7.3
78.55083	1.4
79.95626	2.6
82.52020	1.5
83.01290	1.9
83.51812	1.6
85.02839	2.5
87.00755	17.6
89.02340	2.6
95.04924	3.4
96.95894	82.3
97.95792	2.3
98.95479	14.9
101.02364	6.3
103.00272	6.8
105.03366	3.8
112.98698	14.7
113.02339	2.2
113.09606	8.7
120.50141	1.9
133.02850	15.5
134.03639	41.0
135.04413	9.2
145.02815	2.6
145.07657	2.1
149.02367	4.8
150.03165	2.1
159.10187	19.6
161.02342	4.9
161.04486	1.7
162.03137	16.5
162.68922	1.6
165.05547	3.8
177.01826	6.6
178.02654	8.6
187.07567	2.0
192.24608	1.9
229.20061	1.8
231.10258	26.1
243.93700	1.7
275.09259	100.0
276.09540	8.1
321.15457	3.3
363.16583	35.8
364.17261	2.2
407.06458	4.8
407.18408	3.8
408.07553	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	407.1523
Annotation	Devazepide
Peak:m/z	Relative Intensity
57.45009	1.5
59.00982	2.8
59.01252	24.7
64.01586	1.5
67.42421	1.5
71.01260	2.6
71.52923	1.7
71.53269	1.9
75.00729	3.6
87.00761	2.5
95.04895	3.0
96.95863	4.0
98.10314	1.7
103.91927	7.6
104.92689	2.2
112.98627	1.5
113.05988	3.1
121.10110	5.4
134.03563	2.1
137.70012	1.7
141.08064	2.4
141.09114	25.9
146.93759	5.6
149.09573	1.9
162.03180	2.3
169.13512	1.5
171.10216	2.0
172.95340	2.2
178.64598	1.5
213.05623	1.6
231.10226	1.5
255.06911	2.0
257.04721	12.5
265.05457	1.6
265.14667	2.8
275.09161	7.0
279.06805	2.1
285.04245	2.7
286.05170	13.8
287.05518	1.9
297.08130	1.8
299.05951	1.7
340.06003	4.7
363.16272	9.6
407.15253	100.0
408.15567	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47700	1.9
59.01252	47.5
71.01242	7.8
71.57800	3.1
72.74987	1.9
72.99171	31.7
73.02805	2.4
79.95609	4.8
87.00739	4.3
89.02321	2.8
93.03361	2.2
96.95878	50.1
98.95496	3.6
101.02338	10.3
103.00209	2.0
108.02045	4.8
113.02328	2.8
113.11266	2.0
115.61038	2.1
119.03328	3.1
119.04844	2.2
121.02824	7.1
122.03630	14.0
123.04428	21.9
125.02325	2.7
133.02879	6.1
134.03612	23.6
135.04437	4.6
136.01556	7.5
137.02342	3.1
145.06042	2.9
147.04388	3.6
149.01144	3.5
149.02330	23.6
149.05969	5.2
150.03130	100.0
151.03908	62.2
152.04289	2.4
164.04701	4.1
165.05475	93.1
166.02666	2.5
166.05836	3.9
178.02641	5.5
179.03365	2.9
180.04166	6.8
181.04973	47.6
192.04190	18.3
193.04930	17.5
195.06575	16.4
211.06068	40.5
213.09128	2.0
223.86935	2.3
231.09987	2.8
251.87254	2.6
275.09253	4.6
282.09082	2.8
313.48795	2.2
341.10464	3.4
347.17102	4.8
359.11227	10.7
365.18121	2.6
407.13409	48.8
407.19034	15.4
408.13477	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	407.116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66388	0.7
57.03323	0.8
57.79384	0.7
59.01249	20.0
62.44091	0.8
70.98101	1.9
71.01251	17.4
71.01610	1.4
72.99191	1.3
75.00742	1.3
78.95770	1.1
79.25387	0.8
79.41869	0.8
80.90188	1.1
84.95809	0.8
87.00790	1.3
87.92410	0.9
101.50927	0.8
102.94765	1.5
103.91901	34.1
104.92657	5.8
104.96331	1.1
106.94253	3.8
112.98672	1.0
123.13995	1.0
123.94503	1.0
130.94275	9.9
130.97908	9.6
132.95822	14.8
133.02853	1.1
134.03598	1.7
137.09621	2.7
146.93739	4.9
148.95332	24.4
153.66916	0.9
162.03151	1.4
171.00482	0.9
171.10207	2.5
174.96922	1.3
186.96912	100.0
187.97144	3.0
190.09966	6.2
193.12468	0.8
205.12273	3.0
220.14613	11.8
221.15192	2.5
227.06137	0.9
231.10100	1.4
231.17567	1.3
269.07062	3.5
275.09369	7.0
278.03726	1.6
280.66605	1.0
283.08774	0.9
293.17557	1.0
309.20978	1.4
325.11441	0.8
347.15359	1.1
350.04599	7.7
351.04971	1.4
353.10513	4.1
389.16452	5.4
406.26941	1.9
407.11948	12.2
407.27542	2.1
408.12442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05417	3.8
59.01244	34.2
62.14448	4.3
70.71558	14.9
71.01262	12.9
73.02853	5.4
79.95624	11.5
89.02314	9.2
96.95884	100.0
98.95439	10.3
101.02323	5.2
103.00237	8.1
113.02345	6.2
119.04929	17.2
134.03651	4.0
135.04416	4.5
148.01579	19.7
149.02391	17.9
150.03114	30.3
151.03926	9.3
153.05502	17.8
160.91136	4.2
163.03911	18.4
165.05453	42.8
166.02559	8.8
179.03423	5.6
181.04965	31.5
185.02104	26.0
195.06578	16.9
211.06049	30.8
218.61526	4.4
407.19086	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	407.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.4
69.47211	4.0
71.01234	0.7
72.99178	1.3
84.99178	1.0
87.00745	13.0
95.04892	0.5
96.95869	0.7
97.06467	5.5
99.55473	0.5
100.40749	0.6
102.16207	0.5
103.00250	6.1
105.03349	3.3
106.04140	0.5
112.98692	13.9
112.99486	0.7
120.99552	4.1
121.02837	0.6
133.02843	29.5
134.03630	93.9
135.04013	3.7
136.12195	0.6
137.02328	3.5
139.03915	1.1
162.03094	1.3
177.01843	17.9
178.02632	20.4
179.03058	1.7
226.74306	0.6
231.10196	2.8
271.53574	0.5
275.09244	100.0
276.09573	7.2
407.09927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.7
59.01244	9.6
63.74852	0.6
70.68034	1.4
70.68436	1.2
72.99165	1.5
84.99181	1.3
87.00751	11.5
95.04869	0.8
97.06451	4.9
103.00253	5.4
105.03337	2.2
109.02820	1.0
112.98682	13.2
120.14534	0.5
120.99563	1.2
121.02814	1.0
122.87349	0.5
130.99748	1.2
133.02840	29.4
134.03625	73.3
135.03868	3.2
137.02324	4.4
139.03845	1.3
149.00874	0.8
158.22540	0.6
160.01535	0.6
161.23265	0.6
175.03883	0.7
177.01840	18.5
178.02618	27.4
179.03207	1.8
231.10165	2.7
275.09232	100.0
276.09561	7.0
280.05927	0.5
295.12103	0.5
297.68188	0.7
306.99283	0.6
310.03528	1.0
400.51859	0.5
407.09860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97799	7.5
59.01238	36.7
62.15895	7.6
64.86482	8.3
70.75255	22.0
70.75608	7.8
71.01237	22.0
78.95757	19.5
87.00745	12.5
88.44883	8.1
89.02312	42.2
96.95876	25.2
97.67638	7.2
101.02316	27.0
108.90107	12.7
111.00771	57.3
119.03413	11.2
152.99399	10.5
161.55809	7.5
179.05579	42.5
179.06970	7.2
179.80063	10.1
191.05399	13.1
209.06485	9.3
217.34834	8.6
283.42157	8.5
333.05881	18.6
371.11899	100.0
407.09625	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.0
68.01015	0.4
72.99183	1.2
78.95751	1.0
82.83258	0.4
83.35397	0.5
84.99170	0.9
86.31199	0.5
87.00740	13.5
88.58097	0.5
89.03842	9.7
89.04351	1.1
92.98985	0.5
94.55790	0.5
97.06466	1.8
98.19844	1.7
103.00254	5.0
105.27163	0.6
112.98682	13.6
114.09828	0.6
117.03339	40.2
118.03690	1.5
130.99731	1.2
133.02843	8.6
134.03625	38.7
135.04419	30.5
136.04713	1.5
137.02342	4.4
139.03925	0.7
143.04945	1.5
145.02788	1.5
149.00807	3.4
149.02296	1.5
153.25131	0.7
161.02356	6.8
162.03123	25.9
163.03426	1.1
177.01842	6.2
178.02618	12.9
179.03098	1.0
229.26505	0.6
231.10245	4.9
237.10034	0.6
237.30774	0.6
275.09238	100.0
276.09619	7.6
407.09860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71559	0.5
55.60069	0.5
57.03313	1.1
59.01248	12.4
69.68610	2.7
71.01248	3.4
72.29111	0.4
72.99185	0.7
73.02807	0.9
79.95608	46.3
80.96391	0.5
83.01241	0.6
85.02825	1.2
87.00751	14.5
88.80359	0.4
89.02296	2.2
95.95107	4.0
96.95891	100.0
97.06464	0.4
97.66166	0.4
97.95776	0.5
98.20516	0.8
98.95472	1.1
101.02352	1.5
103.00276	0.6
105.03358	1.1
107.04918	0.7
111.04375	0.4
111.94626	0.7
112.98720	1.1
113.02321	0.8
119.03377	0.5
123.04369	0.6
125.02357	0.6
128.40639	0.4
131.08638	0.4
133.02858	1.5
134.03636	2.8
135.04411	1.7
135.08112	0.6
137.02405	0.6
137.05937	0.4
149.09634	2.5
150.03079	0.6
151.07657	0.5
161.05948	0.5
163.03903	0.6
165.05424	1.0
165.12798	0.6
171.10170	0.8
177.09138	0.5
179.07060	0.4
183.13831	0.9
191.07184	0.4
193.08604	2.0
195.06554	0.8
203.07097	0.9
203.10788	0.5
205.08629	1.3
221.08116	1.5
227.12868	3.3
231.10199	3.9
239.09267	0.4
239.11845	0.6
245.13878	0.6
275.09213	6.0
276.09619	0.7
281.10553	0.4
310.10767	0.5
327.10922	1.1
361.05948	5.0
362.06763	0.5
373.05942	1.1
390.06528	0.5
407.06104	3.5
407.19086	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	14.1
59.01249	1.6
66.03347	1.6
68.59913	0.7
69.65700	1.3
69.66111	4.3
71.01223	1.8
72.00768	1.2
74.02343	25.1
80.03708	1.0
81.04443	2.5
82.02834	3.6
83.02369	0.9
84.04419	0.8
85.03947	0.9
86.02342	12.0
86.05990	2.5
87.02630	1.7
87.05497	5.1
88.03892	1.0
89.02277	1.1
96.04430	1.0
96.95935	0.9
97.03933	4.3
98.19806	0.7
99.05512	23.1
100.03868	1.1
101.02306	1.4
101.07056	5.0
102.05476	5.0
106.51479	0.8
109.03947	4.5
109.07593	0.8
111.05499	2.5
112.02670	0.7
112.03926	4.0
123.05513	1.5
124.03901	0.9
124.07605	1.2
125.03440	3.7
126.00548	0.9
127.05031	4.5
128.03421	72.2
129.03719	1.5
133.06813	16.0
133.07745	1.3
135.05518	7.0
137.07115	1.8
141.06569	2.9
143.04517	100.0
144.04880	2.0
145.06039	4.1
146.04471	10.4
153.06595	5.9
155.08141	1.4
162.01064	0.7
166.09737	4.1
167.04482	4.3
167.08165	7.3
170.03214	2.4
171.04039	2.5
179.04532	27.1
180.04852	1.7
181.06099	2.8
184.10825	1.1
185.05629	4.2
187.07605	1.2
192.07698	2.0
197.05623	6.0
210.08778	27.5
211.09161	1.2
220.10056	1.4
228.09848	2.8
236.06763	1.2
237.05241	0.9
254.07787	65.0
255.08116	2.7
272.08856	67.4
273.09177	3.5
275.09171	5.1
277.12256	7.0
343.72171	0.6
388.15430	12.5
406.16501	80.1
407.16696	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	405.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
58.87505	0.5
59.01247	6.0
61.30447	0.6
69.03332	8.0
69.60802	2.3
69.61216	1.5
71.04891	1.2
76.06487	0.6
83.04884	1.0
93.03316	1.2
99.00754	1.1
109.06463	0.7
111.08028	1.7
112.13221	0.6
121.10107	0.8
153.09108	2.1
159.40643	0.5
163.11176	1.3
165.12762	7.5
175.99565	0.7
181.12239	9.4
183.13786	2.9
191.10692	13.4
192.11008	0.6
195.13849	14.4
196.14140	0.8
209.11766	100.0
210.12131	5.0
213.14890	22.2
214.15294	1.0
222.14900	0.5
295.10532	0.6
405.26453	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	15.4
66.03352	1.7
71.44074	2.0
72.00757	1.4
74.02347	25.5
81.04445	3.1
82.02857	4.8
86.02352	12.1
86.05959	1.4
87.02624	1.6
87.05495	3.9
96.95863	1.3
97.03948	3.4
98.06006	1.3
99.05515	26.3
101.07084	5.0
102.05432	5.5
107.05991	1.6
108.04462	1.1
109.03955	4.5
109.07581	1.3
111.05486	3.5
112.03919	2.0
113.03412	1.1
113.40443	1.1
121.03957	1.2
121.25442	1.0
122.56795	1.0
123.05540	2.1
125.03439	4.0
127.05022	3.9
128.03424	81.8
129.03804	1.4
131.64912	1.1
133.06815	17.0
135.05527	7.6
137.07083	1.8
139.01437	1.2
141.06599	4.3
143.04521	100.0
144.04858	4.2
145.06076	3.9
146.04495	13.7
149.07227	1.2
153.06569	5.4
166.09760	5.0
167.04538	3.5
167.08134	7.6
170.03258	3.5
171.03973	2.4
179.04543	36.8
181.06076	3.0
184.10828	1.7
185.05627	4.0
192.07664	4.5
197.05632	6.6
201.09375	1.2
210.08763	30.8
220.10161	1.5
228.09914	3.3
231.18878	1.1
236.06834	1.6
254.07802	65.0
255.08153	3.2
272.08875	79.7
273.09082	5.7
275.09232	5.5
277.12213	9.3
278.12415	1.6
385.73325	1.4
388.15436	13.8
389.15967	1.4
406.16516	84.5
407.16626	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
69.52031	87.8
87.43201	15.9
89.02292	12.8
90.97365	12.6
93.49371	11.9
96.95891	49.1
102.06274	11.5
152.99481	20.4
169.22121	16.1
173.90079	13.5
209.11713	19.6
405.14661	22.1
405.21292	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31465	11.1
57.05402	11.0
59.01250	100.0
68.21095	15.4
70.87974	17.3
70.88317	28.9
78.95773	17.8
79.74646	13.4
89.02312	28.8
96.95908	47.3
102.05483	86.1
111.22483	13.4
127.91384	11.9
128.03413	89.4
129.99940	12.5
135.00763	17.5
153.70305	11.2
277.21756	38.3
308.86774	13.6
328.87137	13.6
406.26080	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	82.2
60.96291	21.9
70.16355	71.1
70.16772	30.1
78.95769	28.4
87.93842	21.7
88.98687	36.0
89.02308	36.2
96.95895	100.0
101.02281	22.4
126.65359	22.3
135.95222	21.2
138.16580	19.8
143.06032	20.0
144.26706	20.1
153.01865	20.0
154.13065	26.2
191.78691	22.9
242.23747	25.5
277.46072	23.4
321.82281	24.8
411.58112	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27176	0.3
54.47730	0.3
59.01248	100.0
60.01585	0.6
71.01254	0.6
71.57029	0.4
73.02836	0.5
78.95760	0.9
79.95624	1.1
80.79667	0.4
85.02842	0.6
87.00793	0.6
89.02337	0.8
93.08513	0.4
96.95885	13.6
98.95492	0.5
101.02309	0.7
103.38737	0.4
113.02330	0.5
129.01932	0.4
135.04538	0.4
139.33154	0.3
147.34029	0.4
152.99556	0.8
166.39418	0.3
171.10226	0.8
184.47441	0.4
207.10016	0.4
212.56497	0.4
223.13544	0.4
243.19638	0.7
247.02318	2.1
253.33008	0.4
259.00983	0.4
262.85413	0.3
327.15976	0.4
329.23474	1.2
355.04968	0.6
405.15878	0.7
405.25333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	2.4
59.01250	100.0
60.99183	2.1
63.16976	1.4
68.99680	2.8
71.01250	16.1
71.57501	2.3
72.99191	1.9
73.02813	2.7
75.00737	9.3
78.95763	2.4
79.95597	4.4
80.96393	2.2
85.02801	8.9
87.00752	2.5
89.02314	8.9
89.02766	1.5
95.01267	2.0
96.95890	39.9
98.95438	2.0
99.00773	4.7
101.02322	8.7
113.02289	5.2
119.03405	1.8
138.77138	1.5
153.99223	1.5
201.01970	1.6
269.18344	2.4
269.68472	6.9
291.67902	1.8
321.07635	2.3
340.24524	1.9
366.72018	1.8
366.76883	1.6
404.71420	93.3
405.10144	3.6
405.16095	1.9
405.21432	25.1
405.71664	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	405.2128
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.61077	1.1
57.03303	1.6
59.01249	51.7
61.98694	2.2
69.74812	1.2
70.33631	1.2
70.33991	4.5
71.01254	30.7
72.99173	2.2
73.02820	12.6
78.25118	1.1
78.95810	1.2
79.95587	2.3
82.34621	1.1
83.01270	7.9
85.02832	10.1
85.06461	3.1
87.00739	3.9
89.02325	13.0
95.01249	2.4
96.95882	26.2
97.02796	1.7
98.95442	2.0
99.00729	2.5
101.02319	17.9
106.07905	1.2
113.02335	8.8
119.03387	4.1
120.99487	4.0
129.01837	2.2
135.04385	1.3
136.01546	1.5
149.00813	1.3
155.14270	5.2
155.18910	1.3
161.02396	1.8
181.15880	3.4
183.13814	4.2
199.13327	14.0
201.14940	1.5
225.14905	4.0
230.04921	1.2
243.15996	14.9
254.26790	1.2
308.05350	2.3
345.18988	1.3
363.20389	7.1
387.20114	2.6
405.21246	100.0
406.21576	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79300	0.2
57.03315	1.0
59.01249	25.9
60.01582	0.2
66.56454	0.2
70.91503	0.7
71.01249	1.5
73.02814	2.2
79.95615	0.6
83.01248	0.3
83.04884	0.2
85.02821	0.8
85.06430	0.2
87.00748	0.5
89.02325	1.3
95.01276	0.3
95.04919	0.4
96.95869	1.3
101.02327	1.0
113.02321	1.2
119.03376	0.3
129.05490	0.4
137.02345	0.5
137.09619	0.7
138.02690	0.3
139.11186	16.5
140.11504	0.6
141.07777	0.2
149.00865	0.5
149.94232	0.2
155.10745	0.2
161.04414	0.4
163.11191	1.0
165.09122	0.7
181.12257	11.4
182.12651	0.5
183.10181	22.8
184.10487	0.9
199.13339	7.6
200.13629	0.3
207.10133	0.3
225.11269	7.2
226.11473	0.3
243.12338	100.0
244.12682	7.0
244.15228	0.3
249.11246	0.8
257.14114	0.3
273.07816	0.3
285.13461	2.5
286.13950	0.3
373.14545	0.3
405.13031	0.3
405.17526	4.8
405.25394	0.5
406.17856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78307	3.2
58.18392	4.1
59.01249	100.0
60.22707	3.4
69.03327	3.4
69.91068	18.1
71.01251	14.5
71.62564	3.1
73.02826	16.4
74.92817	4.0
77.23711	3.3
79.05433	4.1
83.04866	7.0
85.02826	12.6
87.00774	5.7
88.79469	3.1
93.03358	3.5
95.77377	3.2
96.95885	80.0
97.02824	4.2
98.19807	6.6
98.95470	4.0
101.02320	28.3
102.98448	4.6
107.04852	4.3
111.04421	27.5
113.02317	16.0
121.02871	4.6
122.03577	5.0
123.04414	7.5
125.02351	6.7
135.04387	4.0
137.05966	4.5
139.03873	7.3
143.03438	3.9
144.05716	3.8
147.08018	3.6
151.07597	4.6
155.85919	3.7
163.07561	12.4
173.13252	17.2
175.07567	8.3
177.09053	3.8
189.09109	4.6
199.11247	6.3
211.11177	3.6
213.12737	4.3
217.12271	78.4
218.12643	7.5
239.14250	4.1
259.13327	30.1
260.13770	4.3
261.11301	49.2
262.11536	5.6
269.07889	3.7
285.11298	20.0
303.12421	36.8
326.96109	4.4
345.13315	9.6
391.60150	3.8
405.15707	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	405.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.8
70.22941	0.7
70.23360	1.3
71.01244	0.5
78.92010	0.4
79.95597	5.1
87.00732	1.4
95.95108	2.3
96.95884	100.0
98.20454	0.7
98.95450	1.0
104.23288	0.4
129.07751	0.4
129.93317	0.3
130.08572	0.5
137.09589	0.5
155.10680	1.3
195.65833	0.4
199.07570	0.6
219.06673	0.5
285.18280	0.7
301.42657	0.5
359.04547	0.5
405.04572	2.5
405.17639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97741	0.3
54.92653	0.3
56.22261	0.3
59.01252	8.7
69.44925	1.2
69.45352	1.6
71.01252	1.5
71.52177	0.4
72.99178	0.6
73.02815	1.1
75.00733	0.6
79.95608	8.9
80.44966	0.4
85.02815	0.8
87.00760	0.6
89.02312	1.0
95.95116	4.7
96.95892	100.0
97.59934	0.4
97.95857	0.4
98.95478	0.5
101.02328	1.0
103.00260	2.0
113.02338	0.7
120.63989	0.3
123.04402	0.6
125.02384	0.5
135.04416	0.4
161.04549	0.5
161.05966	0.4
163.03880	0.6
168.34496	0.3
175.03860	0.4
177.05460	0.5
179.03441	0.9
181.04962	0.8
183.10268	0.4
190.18893	0.4
191.07018	0.6
205.08609	0.5
211.06055	1.3
225.04025	0.4
235.96892	0.3
241.10857	0.4
242.11089	0.4
243.12512	0.7
264.10034	0.5
290.08008	0.6
307.08185	0.4
308.08978	1.0
309.09686	0.5
325.09061	0.4
345.15576	0.7
345.22668	0.7
348.76828	0.3
357.03082	0.7
363.16541	0.8
372.04922	0.7
388.04523	0.6
405.04935	6.0
405.17227	2.9
405.25543	0.6
406.17688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2852
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
62.85009	1.3
71.16203	3.1
94.85179	1.2
117.03349	24.2
119.04920	15.2
121.02879	8.1
123.04432	3.5
126.87986	1.2
133.02873	1.9
145.02859	41.2
146.03198	2.5
160.40114	1.4
163.03883	4.7
164.69136	1.2
176.62387	1.4
181.60820	1.3
192.66579	1.6
212.26434	1.3
403.09265	1.9
403.28500	100.0
404.28864	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	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	9.8
59.01253	30.1
70.97987	10.4
71.01238	9.8
72.99168	3.8
74.02355	18.7
77.54377	3.3
79.95615	6.2
82.02909	3.2
86.02345	6.6
87.05513	10.0
87.39067	3.9
89.02276	7.9
95.85909	3.3
96.95897	41.4
97.01842	3.5
99.05506	19.5
101.02306	7.6
101.58502	4.0
109.63133	4.2
119.03439	6.6
125.03487	3.6
128.03436	55.5
133.39658	3.6
137.92918	3.4
141.06598	3.5
143.03468	7.2
143.04526	67.5
144.04784	4.5
146.04437	4.0
153.01895	3.9
160.00676	20.9
161.81265	3.9
162.67542	3.3
163.04773	3.5
167.04475	5.1
167.08133	4.1
177.03308	6.9
179.04527	14.2
197.32184	3.5
210.08717	15.5
254.07872	21.7
260.14484	3.7
272.08862	38.2
288.06488	13.0
306.07675	100.0
307.07715	5.6
310.66730	3.8
336.01837	4.6
337.79382	3.9
347.67191	3.8
405.17206	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	403.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01991	0.2
70.66624	0.4
84.59663	0.2
86.29894	0.2
93.03328	0.3
97.21940	0.2
117.03352	37.2
118.03646	1.1
119.04919	20.6
120.05254	0.6
121.02853	6.0
122.03143	0.2
123.04404	1.4
133.02808	1.3
134.03647	0.5
138.44412	0.2
145.02856	100.0
146.03194	4.6
147.04411	0.9
151.48325	0.2
162.03156	1.3
163.03917	8.7
164.04213	0.4
197.19020	0.4
210.13113	0.2
249.41434	0.2
276.36212	0.2
283.49112	0.2
403.28522	90.2
404.28873	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	403.2852
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
55.68908	0.3
62.39572	0.3
71.21581	0.6
71.21906	0.5
77.31830	0.3
79.47697	0.4
94.77663	0.4
117.03350	33.2
118.03631	0.7
119.04920	19.9
120.05181	0.8
121.02840	5.3
123.04432	1.8
133.02847	1.1
144.14757	0.4
145.02858	100.0
146.03210	3.9
147.04393	1.0
148.04877	0.4
162.03137	1.3
163.03929	8.0
177.66489	0.4
198.01724	0.4
249.20149	0.3
403.28540	97.7
404.28897	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	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17062	0.8
56.87585	0.7
59.01254	100.0
60.01568	1.2
61.98704	1.8
62.84787	0.8
63.54555	0.8
70.01779	0.7
71.14045	1.6
72.96882	0.8
78.95832	0.8
81.16586	0.9
85.02839	1.1
88.79796	0.8
94.28160	0.9
96.95876	2.8
113.81651	0.8
121.06508	1.5
141.01590	1.4
152.99493	1.7
178.02509	1.3
217.00362	1.5
269.21207	5.9
271.66083	0.9
289.21671	1.2
381.30814	0.8
421.84799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98708	2.9
69.12749	1.5
71.28532	2.6
77.55889	1.7
86.17832	1.7
87.00777	2.5
90.02710	1.7
92.92156	2.5
92.92650	10.2
93.78681	1.5
96.95921	4.3
102.82701	1.6
104.58687	1.9
119.94712	1.8
126.09761	1.7
129.37193	1.5
141.01588	1.7
217.00327	3.7
255.09303	2.0
329.23340	7.1
341.15988	2.4
367.18332	2.6
377.15469	1.8
403.16165	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	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20955	0.4
57.03331	0.7
59.01253	7.9
64.81079	0.3
69.03340	0.8
69.49914	0.3
69.50219	3.0
71.01256	2.7
71.04862	0.4
72.99174	0.5
73.02850	0.5
83.04885	0.8
83.90648	0.4
84.02010	0.4
85.02823	0.7
89.02324	5.0
91.03885	20.7
96.95887	2.1
97.06447	0.7
99.08038	5.2
100.21191	0.4
105.60084	0.3
116.92719	0.5
125.09610	1.3
127.11174	2.1
129.09099	0.6
136.19711	0.4
137.09613	0.5
139.11142	1.7
154.12128	0.3
155.10626	0.7
155.14302	0.6
157.12213	0.3
158.79765	0.4
161.12219	0.4
165.12746	0.5
167.10674	0.6
167.14307	1.3
171.10188	7.8
172.10529	0.4
183.13858	6.2
193.12320	2.6
201.35922	0.4
209.11844	1.6
211.13342	38.6
212.13675	2.4
229.14410	21.0
230.14818	1.7
263.12939	0.8
287.22089	0.4
293.21231	1.9
311.22318	8.0
312.22629	0.9
329.23325	100.0
330.23666	9.8
370.55215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01254	13.6
65.64863	0.5
69.03325	0.8
70.07368	1.0
70.07764	1.8
71.01247	2.2
74.67617	0.4
83.04893	0.9
85.02776	0.4
87.86315	0.4
89.02321	4.4
91.03883	19.6
96.95888	2.5
98.20448	0.6
99.08033	5.0
123.42042	0.4
125.09598	1.3
127.11156	2.4
139.11217	0.7
141.86678	0.5
155.10576	0.5
155.14249	0.7
158.89362	0.5
159.89302	0.7
167.10699	0.6
167.14334	1.6
171.10175	4.6
173.13277	0.7
183.13811	5.6
193.12277	2.5
209.11732	1.2
211.13336	34.3
212.13676	2.1
217.12291	2.8
218.12532	0.9
229.14412	18.5
233.81778	0.4
261.11252	1.5
293.21228	1.6
311.22247	9.2
312.22412	0.5
329.23312	100.0
330.23648	10.1
403.12543	4.3
403.98721	0.6
404.13150	0.9
404.21301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90288	17.8
58.20469	15.9
59.01238	76.0
60.02380	15.0
71.57521	20.5
78.95779	100.0
87.00690	30.9
103.91937	31.8
121.02848	52.8
122.89345	91.7
122.90079	16.9
127.53130	15.2
127.85861	15.1
144.16866	15.6
145.27473	16.3
214.78543	16.8
224.40532	18.3
262.00546	99.1
265.21878	20.1
349.53601	17.7
394.27368	20.8
403.15588	26.6
403.24643	28.4
403.30334	59.3
404.14871	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	403.2334
Annotation	Celerioside E
Peak:m/z	Relative Intensity
55.01756	0.6
57.03307	1.2
58.00481	1.0
59.01250	38.3
60.01574	0.6
61.98695	0.5
71.01252	24.0
71.14069	1.0
72.99178	1.9
73.02817	1.3
83.01257	1.7
85.02820	5.8
85.87817	0.4
87.00754	1.4
89.02314	17.2
89.73608	0.4
93.81073	0.4
95.01273	2.0
96.93591	0.4
96.95885	1.0
99.00761	0.8
101.02319	13.7
106.05211	0.5
113.02335	7.5
119.03379	5.1
121.02818	2.4
122.03185	0.9
134.03658	0.4
161.04454	0.6
187.07365	0.5
194.02019	0.6
211.17010	1.2
223.16986	8.6
241.18085	4.6
315.07727	0.8
329.23172	0.6
350.97607	0.5
359.06561	0.5
371.93753	0.5
403.23331	100.0
404.23672	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	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
58.00447	0.4
59.01249	100.0
59.03392	0.4
60.01587	1.3
69.03325	0.4
71.01251	8.0
71.11060	0.5
72.99183	0.6
73.02826	2.7
74.98970	1.0
83.01276	0.8
85.02823	2.6
87.00771	0.7
89.02323	4.4
96.95891	1.4
97.06481	1.1
101.02325	5.3
101.75170	0.4
113.02319	4.2
119.03415	1.7
136.99065	1.1
139.07588	0.5
160.03880	0.6
161.04440	1.0
179.05574	0.5
186.42622	0.5
205.12299	0.6
223.08084	0.5
245.10245	0.6
343.17972	0.6
361.18665	2.3
403.11685	0.4
403.15628	3.1
404.16565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18077	5.3
59.01254	25.7
61.98695	9.9
70.29823	22.6
75.21761	4.5
78.95793	8.2
86.65491	6.0
96.95887	6.4
103.91914	40.4
108.89865	10.8
122.89310	18.3
124.89071	16.8
152.99541	5.9
215.03728	6.0
246.80876	5.7
255.03340	30.8
255.05478	4.9
257.04813	10.8
262.00479	5.9
264.00342	7.1
277.01205	9.5
287.02344	8.4
289.01099	12.6
303.02673	30.7
367.15799	23.9
399.14661	9.9
403.13507	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01247	100.0
60.01591	1.1
68.62658	0.5
70.86882	1.1
71.01249	7.4
72.99183	0.7
73.02822	2.8
74.98960	0.5
79.21297	0.4
83.01234	0.5
85.02825	2.7
85.68719	0.4
87.00729	1.0
89.02315	3.6
93.03345	0.7
95.01276	0.7
96.95907	1.9
97.06482	0.9
101.02306	4.3
113.02332	3.8
119.03394	1.1
137.02348	1.7
137.09639	0.6
161.04440	2.3
169.74948	0.5
179.10768	0.8
181.08508	0.8
197.11816	1.5
225.05054	0.6
230.02960	0.4
241.10791	1.7
241.14552	1.3
283.10986	1.5
327.09824	0.5
343.17654	0.8
361.18726	1.9
403.11575	0.5
403.16199	2.0
403.20706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01752	1.8
56.67273	0.5
57.03314	1.6
58.00459	1.8
59.01249	56.2
59.35709	0.5
60.01585	0.5
61.98685	0.6
67.09708	0.5
69.03315	1.0
70.82456	1.4
71.01248	21.2
72.99184	2.3
73.02814	8.6
73.36611	0.5
75.44571	0.4
83.01249	4.6
85.02817	8.6
85.99963	1.0
87.00757	4.7
89.02313	5.8
95.01246	1.9
96.95895	4.3
97.02836	0.8
99.00771	1.9
101.02316	16.5
102.98470	0.6
107.39478	0.5
111.00748	0.6
113.02317	7.4
118.97256	0.5
119.03373	2.1
124.01578	0.6
125.02322	2.2
133.02838	0.5
134.03618	0.5
137.02354	0.8
138.61365	0.5
143.03349	0.6
151.03882	0.6
161.04504	1.2
174.28700	0.5
178.02548	0.6
181.12254	5.8
182.12662	0.8
197.06055	0.7
199.13322	6.4
209.08180	0.6
213.05583	0.7
213.14893	0.7
241.04933	3.8
253.14725	0.5
253.27643	0.4
306.07443	0.9
317.19626	1.3
338.01761	0.5
343.17572	16.6
344.17920	1.8
344.81738	0.5
359.15088	0.6
361.18665	39.2
362.18997	4.0
381.95078	0.5
403.08829	4.0
403.19684	100.0
404.08813	0.7
404.20032	11.0
427.17487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01519	0.9
55.01757	6.1
57.03323	8.1
58.00459	2.3
58.02836	0.9
59.01248	56.2
69.03311	1.9
69.70401	4.9
71.01250	100.0
71.04861	1.1
72.01573	0.8
72.47004	0.7
72.99172	4.5
73.02813	29.2
74.02332	2.6
75.00745	2.0
83.01257	14.6
85.02818	43.3
86.38403	0.8
87.00755	4.2
89.02314	29.2
95.01250	8.7
96.95875	2.8
97.02821	2.6
97.06443	2.3
99.00748	12.5
99.04388	9.4
99.05479	1.9
100.00261	0.9
101.02318	76.7
102.02613	1.4
109.06498	0.9
113.02327	43.8
113.05936	1.4
114.02625	1.3
114.51416	0.7
119.03391	13.2
123.08004	2.3
125.02343	2.4
125.05946	3.3
125.56846	0.8
128.03404	6.2
129.01842	1.1
131.03352	2.1
136.05176	1.7
137.09596	1.5
139.07535	3.0
141.09105	2.8
143.03372	5.4
143.04523	8.1
143.07031	2.0
149.04395	1.2
151.07542	3.8
153.09079	1.5
159.02922	6.6
160.00655	1.9
161.04457	41.2
161.09634	6.8
162.04732	1.1
162.87460	0.7
163.11115	1.0
164.08278	1.0
165.09103	6.0
169.08598	2.9
175.07567	2.1
177.12724	1.1
179.05603	1.6
179.10655	5.9
187.11136	1.1
190.09946	0.9
205.03456	1.9
205.12247	13.1
208.10948	0.9
210.08739	1.6
223.13327	8.5
227.08302	0.9
241.14413	13.1
242.14813	1.5
251.11417	0.9
254.07718	2.7
270.06714	0.8
272.08896	2.7
288.06534	1.0
306.07605	7.8
369.19891	0.8
403.15244	1.8
403.19720	37.9
404.15085	1.3
404.20071	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	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03312	6.4
59.01247	100.0
62.10790	1.4
66.67580	1.3
67.05405	1.5
71.01251	13.4
71.29076	1.8
71.29414	2.8
73.02808	3.2
76.26109	1.4
83.01238	2.1
83.04900	1.7
83.19456	1.3
85.02814	5.7
87.00756	2.7
89.02308	6.9
96.95909	10.8
99.04388	3.6
101.02329	7.1
113.02296	4.2
119.03360	2.7
119.08588	3.3
135.08002	1.5
137.09622	9.5
138.44450	1.6
138.99927	1.9
161.09592	5.5
179.10692	5.7
181.08652	14.5
197.11761	47.9
198.12106	1.9
202.25526	1.8
223.09517	2.9
241.10776	95.6
242.11066	6.7
283.11758	2.3
389.26685	1.6
403.15958	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	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89566	0.5
57.01321	0.5
57.03308	0.8
59.01249	61.0
59.52523	0.5
59.77408	0.5
60.01582	0.6
61.98701	0.8
69.03338	0.8
71.01252	11.0
71.04913	0.5
72.99176	0.6
73.02814	1.3
76.52999	0.5
79.95605	1.3
85.02819	1.2
87.00738	2.6
89.02316	1.6
89.06717	0.5
95.01246	0.5
96.95889	19.0
98.95474	1.8
99.04406	1.5
101.02309	2.3
105.69688	0.6
109.06454	0.6
113.02325	1.4
115.00247	8.1
119.03336	0.6
133.01311	2.1
135.04472	0.6
135.91629	0.6
151.07516	0.5
155.10559	0.6
159.05634	0.6
161.04468	0.7
165.12723	1.1
175.02615	1.1
176.03423	0.9
178.85493	0.6
187.07582	0.5
193.53183	0.5
197.11781	1.2
204.02988	1.3
207.13789	1.5
209.11803	4.9
225.14999	3.2
227.08257	1.1
227.12837	32.7
228.13188	2.2
229.19553	0.5
241.10800	1.8
241.14330	0.6
251.12845	1.2
269.09283	1.0
269.13977	8.3
270.14264	0.7
271.07172	0.6
281.09372	0.6
283.10992	0.6
287.14993	100.0
288.15338	7.8
309.08820	2.8
327.09769	2.7
341.11383	0.8
371.08572	0.9
403.11633	7.0
403.19489	1.3
403.23911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40548	0.6
55.50191	0.6
57.01802	0.7
59.01247	100.0
60.01603	0.8
61.98698	1.4
65.00211	1.4
67.66780	0.6
71.01230	1.5
71.57599	0.9
73.02811	1.0
75.00742	2.1
76.54608	0.7
85.02833	1.8
89.02323	1.5
93.03288	0.8
94.70415	0.7
95.01273	1.1
96.95882	7.4
97.43698	0.7
101.02319	1.5
107.01268	1.2
107.24983	0.7
113.02329	1.2
121.02843	0.7
125.02364	0.7
133.02869	2.2
134.03630	1.4
135.04393	0.8
137.02356	1.1
145.02916	1.0
149.02353	1.7
151.00296	2.3
163.60463	0.7
176.65863	0.6
178.02638	3.3
179.03235	0.7
181.76302	0.6
193.01370	1.2
193.28239	0.6
208.03761	1.5
211.04184	0.6
223.06010	5.3
238.43559	0.6
251.07156	4.3
269.18423	1.5
293.08234	0.9
306.07376	4.0
329.23331	1.0
331.18375	1.3
403.08203	18.7
403.13467	1.1
404.08765	2.8
404.21243	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51557	1.3
56.59980	1.6
57.03312	1.6
59.01245	33.4
60.18087	1.6
61.98712	2.0
69.03312	1.4
69.54504	13.3
71.01256	9.7
73.02802	3.8
73.14403	1.5
75.00763	1.6
82.02825	2.2
83.01247	2.0
85.02813	2.0
87.00761	3.1
89.02290	5.9
96.95894	11.8
101.02309	5.5
108.04451	2.7
113.02304	3.7
119.03364	2.7
120.04401	1.9
122.05970	5.7
132.04430	12.5
132.80453	1.5
134.05988	2.1
138.05476	2.3
147.03131	4.3
148.03957	9.9
150.05516	3.8
155.10661	1.9
157.83434	1.6
160.03932	5.9
175.02657	19.9
176.03452	24.4
178.04895	1.8
179.10616	4.2
186.59657	1.8
190.04968	5.6
192.02888	5.8
192.06546	2.5
193.04984	1.7
197.11723	1.6
200.07162	1.8
200.10745	2.6
203.02142	5.1
204.02959	21.2
209.04375	1.6
212.05763	5.2
212.10783	2.5
213.06474	3.0
215.11874	2.5
223.09645	6.8
224.09441	4.7
225.06561	4.0
226.05249	1.8
227.04683	2.0
227.08200	18.9
227.12814	2.7
229.09743	1.9
234.04016	6.6
235.04689	1.5
236.05685	2.0
238.07303	2.7
239.08212	6.1
239.11787	9.0
240.10399	3.1
241.09839	5.0
243.07739	3.6
243.11305	14.6
253.06200	16.8
253.09744	7.3
254.06812	4.0
254.10361	2.2
255.04102	5.3
255.07809	10.1
255.11394	8.6
265.06134	5.1
265.09750	3.3
266.07059	7.1
267.07697	5.5
268.08469	8.8
269.06915	2.9
269.09360	14.7
271.07202	12.6
271.10672	3.3
281.09299	13.6
283.07642	3.8
283.10843	39.6
284.09009	3.4
287.15091	10.9
293.05692	1.9
294.06516	14.0
295.07053	3.3
297.05261	11.5
299.06741	4.7
299.10364	7.9
309.08795	49.6
310.09085	4.8
311.06616	2.7
312.07513	4.1
315.09882	2.6
315.13452	4.2
327.09848	67.8
328.10150	5.6
331.09149	2.4
341.11444	18.6
343.09039	2.6
343.17670	2.7
353.07666	12.3
359.12326	10.0
360.12637	2.3
361.18604	2.3
371.08804	33.9
372.09137	4.0
385.10507	13.3
386.11029	1.9
403.11398	100.0
403.18216	4.4
404.11856	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	403.082
Annotation	Genistein 4'-(6''-methyl)salicylate
Peak:m/z	Relative Intensity
58.95569	0.4
59.01249	5.1
61.06502	0.4
62.46766	0.4
63.02263	1.6
63.84410	0.5
65.00189	6.7
69.03328	0.5
70.86633	1.5
71.01260	2.7
72.99182	0.6
78.95818	0.5
83.01263	3.6
85.02813	0.8
89.02309	1.6
96.95879	2.1
101.02313	2.1
101.38891	0.5
107.01270	10.2
108.01555	0.5
113.02355	1.1
113.23586	0.5
121.02823	2.5
122.03190	1.3
123.03419	0.8
125.02309	0.7
127.11180	0.5
139.11157	0.5
139.75835	0.4
149.02263	0.8
151.00264	17.4
177.06952	1.4
190.06622	0.5
195.02876	0.6
195.08093	1.5
199.13298	0.8
204.05646	0.7
205.06525	1.3
211.13300	0.7
212.04610	0.6
222.06889	2.9
222.08629	0.5
223.07576	26.6
224.07922	2.2
227.03439	1.6
228.03998	0.7
240.04105	0.9
241.18045	3.7
247.88194	0.5
251.07195	0.9
256.03757	2.1
265.08472	0.5
280.03665	1.0
283.02441	15.1
284.03162	5.5
289.08774	1.0
291.06747	0.8
311.22266	1.0
315.07870	0.7
329.23370	4.6
333.07611	0.6
357.07556	1.7
358.07767	0.7
375.08701	100.0
376.09042	11.6
403.08209	30.1
403.13657	1.2
403.23300	15.1
403.27811	1.0
404.08600	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	401.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59538	0.4
59.01252	100.0
60.01591	1.1
71.01267	0.4
71.58194	0.5
74.00797	0.4
75.00755	1.0
90.93267	0.5
96.95893	0.9
102.05490	81.5
103.05849	1.9
103.91902	1.1
105.60109	0.4
108.47355	0.4
108.89846	1.3
117.01833	0.8
121.02841	7.5
124.89027	1.0
181.06448	0.8
181.74048	0.4
190.02518	0.6
198.18518	0.5
201.01805	0.5
215.03391	0.5
228.91138	0.5
234.99962	1.7
238.21725	2.3
247.17062	0.5
265.01147	0.6
277.01215	0.4
283.27524	1.7
297.28885	1.1
313.07251	2.2
321.11642	0.6
327.26239	0.5
341.10602	0.6
341.14087	0.6
341.27933	1.1
357.06000	0.9
363.12448	0.5
373.16473	1.0
383.07126	1.4
401.08954	7.1
401.15869	2.2
402.09320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99741	0.2
60.62622	0.2
66.27313	0.2
69.57316	1.2
86.69660	0.2
93.03359	0.2
117.03349	29.2
118.03635	0.6
118.04268	0.3
119.04919	14.1
120.05253	0.6
121.02843	8.7
123.04421	2.6
133.02835	2.0
134.03638	1.1
145.02855	54.3
146.03192	2.5
147.04405	0.6
162.03125	2.5
163.03922	5.9
167.63989	0.2
335.53052	0.3
357.28284	0.3
387.72064	0.2
401.26941	100.0
402.27298	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	401.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85235	0.4
55.73488	0.4
59.01239	1.3
67.30448	0.5
70.64684	1.7
82.14030	0.5
82.20859	0.5
89.02343	0.7
99.04067	0.4
113.02357	0.6
117.03349	29.1
118.03668	0.5
119.04916	15.3
120.05265	0.9
121.02843	12.6
122.03189	0.6
123.04439	2.9
133.02840	1.5
134.03668	1.0
145.02858	57.2
146.03185	2.0
147.04388	0.5
162.03133	2.1
163.03918	5.8
181.43398	0.5
199.47971	0.5
288.49496	0.5
313.07416	0.7
401.26950	100.0
402.27338	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
59.01247	0.9
69.03318	9.2
71.36183	0.8
88.34960	0.7
97.06462	1.6
99.04389	36.9
114.62357	0.8
121.02809	1.3
157.47723	0.7
165.12756	1.2
198.09348	0.9
211.35463	0.8
249.44264	0.8
275.23761	5.5
301.21680	13.3
302.21936	1.0
319.22766	7.5
320.23062	1.0
332.47049	0.7
401.26920	100.0
402.27228	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	401.2694
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
51.99393	0.4
55.01752	1.3
69.03328	11.1
69.51331	0.4
70.41444	0.4
71.04914	0.7
71.21781	0.8
90.22910	0.5
97.06458	1.4
99.04395	19.1
100.04716	0.8
107.78586	0.4
119.04852	0.6
121.02840	1.1
125.09634	0.4
145.02866	1.3
165.12701	0.8
241.35898	0.5
269.31647	0.5
275.23779	7.2
276.23990	0.5
301.18549	0.4
301.21716	9.5
302.22104	0.9
319.22797	7.2
320.23300	0.6
401.26944	100.0
402.27338	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84729	1.0
59.01249	100.0
60.01567	1.3
61.29292	0.8
69.30466	8.4
89.02316	1.4
96.70357	0.9
96.95882	2.3
101.02316	1.4
121.02833	18.1
127.41254	0.8
171.10167	7.8
180.38188	0.8
181.06461	1.4
191.05463	1.0
225.05475	1.2
235.07054	0.8
313.07086	5.0
342.98505	0.9
343.24857	5.5
357.06201	2.0
401.08466	5.5
401.20630	13.5
402.21072	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2692
Annotation	Deacetylfusaproliferin
Peak:m/z	Relative Intensity
55.55105	0.4
55.62897	0.6
57.03318	0.6
59.01249	2.0
61.23965	0.5
61.49863	0.5
69.03329	0.8
69.78430	2.6
71.01249	0.8
76.93847	0.5
83.04881	0.5
90.02774	0.5
94.91589	1.2
97.02873	0.7
101.02275	0.6
107.04921	1.1
108.89849	1.7
109.02849	1.2
109.06535	0.7
121.02832	8.7
121.06485	2.5
122.03638	7.5
123.04382	0.8
124.89224	0.9
135.04427	3.2
135.08034	3.0
135.08902	0.5
136.05191	3.0
137.05978	95.3
138.06306	3.4
139.07545	2.1
147.11641	0.9
149.05914	0.8
150.06766	3.2
151.03903	2.7
153.05467	1.5
164.08296	1.1
167.03380	0.7
175.11151	0.8
176.08353	0.6
177.12752	1.4
177.97754	0.4
189.09270	0.6
190.02580	0.6
191.10690	1.1
201.01842	1.2
204.11575	1.0
215.03534	0.8
217.83649	0.5
219.00468	0.5
233.02126	1.5
243.13821	1.1
262.99600	1.4
269.10175	0.5
277.01080	5.7
313.07230	2.4
325.25391	1.8
335.23642	0.8
336.23697	0.5
353.24847	31.7
354.25186	3.7
357.06119	0.7
371.25882	100.0
372.26218	12.6
373.16467	1.6
383.26059	1.0
399.61844	0.5
400.98779	0.5
401.09705	4.0
401.16132	2.1
401.26981	8.3
402.27271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01749	5.1
56.89459	1.1
57.03323	11.0
58.00454	3.7
59.01250	86.7
60.01561	1.2
69.03331	3.6
71.01253	100.0
71.04888	1.4
71.58432	1.5
72.01591	1.2
72.99186	7.5
73.02428	2.3
73.02821	28.0
74.98967	1.1
75.00742	2.6
77.10049	1.4
79.81701	1.1
81.03309	4.6
83.01260	11.7
83.04887	1.1
85.02824	34.3
87.00759	7.9
89.02316	47.4
90.02673	1.3
95.01279	9.1
95.04912	3.9
96.02043	1.4
96.95885	12.1
97.02816	3.8
97.06457	2.6
99.00769	8.6
99.04384	4.9
101.02319	68.1
102.02655	1.9
103.00269	1.1
107.04926	2.9
108.02094	1.3
109.06477	3.1
111.04413	1.5
111.08016	3.1
113.02329	37.1
113.05946	1.9
119.02564	1.8
119.03380	22.5
120.99525	5.6
121.06477	2.0
123.04454	8.0
123.08051	2.4
125.02309	2.6
125.05951	5.1
129.01785	1.9
131.03394	2.6
135.04298	1.0
135.08092	1.9
136.05199	1.3
137.05946	1.8
137.09598	4.1
139.07542	4.3
141.05499	1.8
143.03400	4.4
149.04424	1.5
149.09642	1.7
151.07553	3.1
151.11156	1.6
153.09155	2.1
159.02888	6.6
161.04454	29.4
161.09624	2.5
162.04758	1.8
163.07544	4.3
165.05469	2.9
165.09111	10.3
166.06270	1.3
167.66954	1.0
175.11267	1.2
177.12773	3.3
179.05537	3.5
179.10707	17.3
181.08618	30.6
182.08934	1.2
191.07193	1.2
193.12402	1.4
203.10774	6.6
206.09404	3.6
221.11792	24.0
239.12840	12.4
362.92007	1.3
388.67191	1.1
401.18390	30.5
402.18155	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.1
56.89459	1.1
57.03323	11.0
58.00454	3.7
59.01250	86.7
60.01561	1.2
69.03331	3.6
71.01253	100.0
71.04888	1.4
71.58432	1.5
72.01591	1.2
72.99186	7.5
73.02428	2.3
73.02821	28.0
74.98967	1.1
75.00742	2.6
77.10049	1.4
79.81701	1.1
81.03309	4.6
83.01260	11.7
83.04887	1.1
85.02824	34.3
87.00759	7.9
89.02316	47.4
90.02673	1.3
95.01279	9.1
95.04912	3.9
96.02043	1.4
96.95885	12.1
97.02816	3.8
97.06457	2.6
99.00769	8.6
99.04384	4.9
101.02319	68.1
102.02655	1.9
103.00269	1.1
107.04926	2.9
108.02094	1.3
109.06477	3.1
111.04413	1.5
111.08016	3.1
113.02329	37.1
113.05946	1.9
119.02564	1.8
119.03380	22.5
120.99525	5.6
121.06477	2.0
123.04454	8.0
123.08051	2.4
125.02309	2.6
125.05951	5.1
129.01785	1.9
131.03394	2.6
135.04298	1.0
135.08092	1.9
136.05199	1.3
137.05946	1.8
137.09598	4.1
139.07542	4.3
141.05499	1.8
143.03400	4.4
149.04424	1.5
149.09642	1.7
151.07553	3.1
151.11156	1.6
153.09155	2.1
159.02888	6.6
161.04454	29.4
161.09624	2.5
162.04758	1.8
163.07544	4.3
165.05469	2.9
165.09111	10.3
166.06270	1.3
167.66954	1.0
175.11267	1.2
177.12773	3.3
179.05537	3.5
179.10707	17.3
181.08618	30.6
182.08934	1.2
191.07193	1.2
193.12402	1.4
203.10774	6.6
206.09404	3.6
221.11792	24.0
239.12840	12.4
362.92007	1.3
388.67191	1.1
401.18390	30.5
402.18155	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.39798	0.3
58.00468	0.8
59.01249	11.8
71.01251	7.4
71.53767	0.3
72.99187	0.6
73.02822	1.0
79.50719	0.3
79.51161	0.4
79.95634	0.4
80.98994	0.4
83.01257	0.6
83.04906	0.8
85.02819	2.1
85.46138	0.3
87.00742	0.4
89.02307	5.3
93.03338	0.5
95.01276	0.7
96.95891	2.3
97.06450	0.7
101.02330	2.8
104.83201	0.4
107.04920	0.4
113.02319	5.0
114.02682	0.4
119.03416	1.7
120.99582	0.4
121.10086	0.4
130.08609	1.2
143.03397	0.4
149.86220	0.4
156.10968	0.4
159.11766	0.5
161.04462	1.1
171.10149	0.6
177.12784	4.9
179.05476	0.9
195.13824	100.0
196.14177	4.8
203.10701	1.7
211.13303	0.6
219.13866	1.7
221.11728	1.6
229.43275	0.6
237.14877	1.1
239.12834	52.6
240.13188	3.4
263.12860	4.1
264.13217	0.4
281.13968	1.8
302.49823	0.4
305.13928	0.5
327.21744	2.6
371.15588	0.5
401.16943	1.0
401.23688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.12172	0.3
60.01619	0.5
71.01251	0.9
71.58237	0.4
77.32597	0.4
77.54587	0.4
77.73242	0.3
85.02822	0.5
87.50420	0.4
89.02345	0.5
96.95876	1.8
98.95484	0.4
101.18622	0.4
103.16186	0.4
109.13047	0.4
111.46725	0.4
113.02306	0.4
121.02835	9.7
167.03386	0.6
181.06592	0.7
191.14331	8.1
194.06267	0.4
258.21735	0.4
309.10248	0.9
313.07166	2.7
326.91422	0.5
327.21814	0.6
341.10733	0.9
341.14340	0.5
357.06320	1.1
359.18668	2.3
370.10242	0.4
401.09271	2.3
401.13843	0.5
401.19724	1.6
402.19153	5.2
406.91727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39420	0.5
55.03213	0.6
55.48000	0.5
59.01248	100.0
60.01594	0.8
64.43423	0.6
65.25999	0.5
70.97922	0.8
70.98285	1.3
71.01251	1.6
82.06834	0.5
85.95718	0.5
87.00754	0.6
89.02322	0.9
96.95889	3.2
109.06527	0.6
116.04037	0.6
122.99138	1.3
123.04366	0.8
135.92207	0.5
183.30740	0.6
202.66887	0.6
226.17801	0.6
286.16391	0.7
290.33997	0.6
293.24084	0.6
360.85632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66489	0.9
55.01748	2.1
57.03311	2.5
57.23023	1.0
59.01248	40.9
69.03337	1.6
70.01495	1.0
70.85735	2.0
70.86104	1.5
71.01247	33.7
72.99187	12.5
73.02816	11.3
75.00735	7.1
83.01237	5.7
83.04871	1.3
83.14507	0.9
84.74304	1.0
85.02821	19.2
87.00755	4.8
89.02313	12.7
95.01305	2.4
95.04908	1.9
96.95863	4.9
97.02830	2.8
99.00752	5.2
99.40319	1.1
101.02316	26.0
103.00252	3.7
105.58553	1.0
107.04942	1.3
113.02322	13.6
119.03399	2.7
125.02349	3.3
130.62816	0.9
130.99744	9.5
131.03389	2.1
135.08038	1.5
137.02324	17.5
143.03386	2.2
147.02888	1.0
149.04486	1.0
151.03853	4.8
153.01817	2.4
159.02882	2.5
161.04445	16.3
165.05528	1.0
167.03363	1.7
177.09084	1.1
179.05377	1.1
182.05763	92.7
183.06091	4.7
195.06506	1.5
196.14520	1.0
197.08128	100.0
198.08542	4.7
203.10735	1.9
204.30499	1.0
221.11790	1.8
225.11293	5.0
233.06741	1.4
238.08743	2.2
261.00595	1.0
269.10294	21.7
270.10718	2.0
281.09454	1.6
298.21225	1.0
325.80072	1.0
341.12128	1.6
401.14520	38.8
401.19250	2.4
402.14771	4.0
411.15939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70889	17.7
69.89022	100.0
73.62015	20.3
73.93034	16.1
85.46159	19.1
96.95892	23.0
124.36234	18.3
176.01097	19.3
255.07616	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	401.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	62.4
71.01236	41.9
71.57912	12.9
72.99152	8.5
85.02824	10.5
87.00747	14.9
89.02312	56.5
94.95549	8.3
101.02328	23.1
113.02312	24.7
119.03368	11.9
135.04341	9.6
176.40486	6.7
179.05484	31.6
179.06905	9.8
244.54056	7.8
265.07062	13.6
341.10867	100.0
342.10944	8.6
348.44226	9.6
352.49924	7.9
400.86057	6.8
401.11777	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	399.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08545	41.9
58.36033	49.8
59.01247	46.5
60.21209	48.7
69.92655	48.7
70.89504	76.1
70.89851	77.0
89.35875	59.1
100.31952	46.2
171.52812	51.0
195.03175	45.8
258.82724	46.3
264.52744	49.6
284.09744	46.1
328.71539	61.0
339.19965	100.0
390.18564	47.0
399.25073	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.1
70.07772	1.6
71.01247	0.5
76.38874	0.3
79.95594	1.5
85.02843	0.5
95.95090	0.8
96.95881	82.6
97.02818	0.5
98.20653	0.3
109.61387	0.4
161.02237	0.3
171.10135	1.3
217.00012	0.4
222.00500	0.3
223.75250	0.3
234.97530	0.5
245.08221	0.5
287.05569	0.7
302.07697	0.7
341.23209	1.6
371.56985	0.4
399.18430	100.0
400.18756	11.4
400.22717	0.2
418.53491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.9
60.38129	0.5
66.36710	0.5
67.01772	0.9
69.03325	100.0
70.03661	2.2
71.01234	1.0
71.06262	0.9
71.06597	0.8
72.99180	1.7
79.01778	2.2
83.36587	0.6
85.02828	1.2
95.01266	1.6
96.95896	2.6
97.02825	18.1
98.19941	0.6
99.00758	25.7
100.01060	0.6
106.18958	0.6
116.75574	0.6
122.15714	0.5
123.00739	1.0
141.01839	10.1
185.00835	62.1
186.01199	1.9
194.90378	0.6
195.13757	1.0
213.14897	3.1
369.85046	0.6
399.16528	8.2
400.16779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07975	0.4
57.03328	0.4
59.01249	46.0
60.01584	0.5
69.03329	0.5
70.72823	1.2
71.01266	2.0
72.99193	0.8
73.02816	0.8
73.65203	0.3
74.59975	0.3
74.98962	1.3
78.95781	0.5
79.95594	2.5
82.48177	0.4
83.01250	0.4
85.02803	0.8
87.00742	4.5
89.02301	0.4
91.16376	0.4
96.95887	100.0
98.95470	5.6
98.96287	0.7
101.02322	1.0
105.01784	0.8
108.42449	0.3
120.99554	0.9
130.08673	0.4
136.99043	1.4
141.19572	0.4
147.02852	0.5
171.08044	0.7
173.09746	0.4
189.09149	1.4
191.05626	0.4
201.09190	0.4
215.10721	0.8
232.09682	0.5
247.09938	0.6
348.25552	0.4
399.11020	1.1
399.15198	0.8
399.20154	1.5
399.95645	0.4
400.07043	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	399.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69225	0.5
56.97895	0.7
57.03326	0.5
59.01247	8.1
60.17992	0.5
60.97394	1.8
63.96130	0.5
70.03182	0.5
71.01249	2.0
71.58728	0.7
72.99176	1.0
73.02821	1.3
73.98176	3.3
74.98965	100.0
75.98895	0.6
75.99303	1.1
78.95777	0.8
83.04871	0.6
85.02805	0.9
87.00755	1.8
89.02316	1.1
96.95876	7.6
99.00744	1.1
99.04443	0.5
101.02336	1.3
113.02325	1.3
120.99538	9.3
133.02824	0.6
133.06369	0.5
133.63528	0.5
136.99033	89.6
137.99364	1.3
173.94707	0.6
177.09087	0.9
178.02602	0.7
179.03442	0.6
205.10565	1.0
217.12291	1.3
260.71469	0.5
261.11292	1.7
399.11160	8.3
399.16418	1.7
400.11646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	11.3
69.03315	2.9
71.01246	5.8
71.57641	4.0
72.97392	2.5
74.98996	2.8
78.95757	4.6
83.04880	8.2
85.02804	3.5
87.00756	48.1
89.00549	2.7
89.02294	2.5
93.03361	3.2
96.95898	7.2
101.00547	7.8
107.04912	3.8
109.06503	11.8
118.97981	3.8
119.03394	3.5
120.99525	10.6
129.03677	5.1
133.06485	4.9
139.05714	12.0
151.07527	8.2
152.99440	3.9
162.03156	2.9
167.05266	57.2
168.05632	3.1
177.05473	9.3
185.06314	30.8
186.25616	2.6
239.37390	2.5
259.09723	7.4
311.09570	89.0
312.09958	8.2
353.49796	2.8
399.11160	100.0
399.16525	7.1
400.11456	9.1
400.16400	3.2
424.55899	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	399.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85883	0.6
54.73900	0.6
56.97899	0.7
59.01245	6.5
60.97388	2.1
66.47707	0.6
69.03313	0.5
70.91489	2.2
71.01234	2.7
73.98177	3.1
74.98967	100.0
75.99294	1.2
77.95467	0.6
85.02798	0.8
86.25257	0.5
87.00757	1.2
87.72233	0.6
89.02311	0.8
95.48739	0.5
96.95880	7.1
96.96822	0.7
98.47083	0.6
99.00764	3.6
101.02299	1.1
113.02306	1.1
120.99541	7.9
136.99036	85.0
137.99303	0.9
153.05434	1.2
172.03120	0.6
175.11302	0.6
190.25940	0.6
190.58731	0.6
190.98889	0.5
217.12326	1.5
233.11864	0.9
246.99226	0.6
249.09485	0.7
261.11270	1.4
277.10843	0.9
399.11182	8.3
399.16031	1.1
400.11502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18253	0.7
59.01252	100.0
61.98699	2.0
62.35453	0.7
69.77541	4.9
86.02369	0.7
96.95897	5.7
98.19857	1.1
108.93904	0.8
151.45132	0.8
214.14449	2.3
216.76384	0.7
238.46388	0.8
320.26010	3.5
323.39154	0.8
327.23056	0.9
338.26965	1.2
398.11737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79853	0.2
57.29295	0.2
59.01252	7.6
60.01584	0.7
67.14037	0.2
69.69043	1.6
71.01243	0.4
73.02801	0.4
73.03931	0.3
74.98960	0.2
79.95611	9.7
85.02810	0.4
85.99268	0.2
87.00754	29.2
88.01079	0.6
96.95892	100.0
97.95821	0.3
98.95486	0.3
101.02324	0.3
103.00323	0.2
109.39459	0.2
120.98666	0.4
120.99547	6.6
130.08751	0.2
135.04398	0.4
164.07057	0.4
171.08105	2.3
173.09581	0.3
174.92401	0.2
191.05524	0.3
197.09694	0.5
197.80655	0.2
215.10721	0.7
224.98367	0.2
241.08734	0.7
259.09760	0.8
277.10861	0.4
384.70486	0.2
399.07382	3.9
399.11572	0.4
399.17450	0.7
400.07690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.0
61.98700	24.1
71.57230	0.6
86.02367	1.4
96.95896	4.3
100.03915	0.7
108.02072	1.1
113.09669	0.7
135.08095	0.8
201.11295	0.8
238.18254	1.9
262.78595	0.6
269.95105	0.8
320.26038	3.0
333.31766	0.8
338.27048	5.5
338.30713	0.9
398.11133	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	398.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64691	0.6
59.01250	100.0
59.39690	0.7
60.01582	0.6
67.67055	0.6
69.03314	0.9
71.01252	4.7
71.02374	2.2
72.00777	1.2
72.99188	3.0
73.02826	4.2
73.03943	9.5
75.00726	0.6
79.95605	6.5
83.01289	1.1
85.03944	0.9
87.00745	18.0
89.02319	1.4
91.05415	1.7
96.95887	62.2
98.19742	1.4
101.02338	3.8
103.05011	3.0
105.01819	1.1
113.02336	1.4
116.04945	1.3
118.06517	4.1
119.97421	0.6
120.99538	10.0
130.03017	0.6
135.02898	1.1
135.04364	0.7
141.01826	0.9
146.06055	4.9
147.02975	0.9
147.04416	5.4
164.07085	15.1
165.07475	0.6
168.34650	0.6
171.08098	1.5
174.05424	1.0
192.03764	0.7
203.08316	1.0
215.10730	0.9
220.10751	0.7
233.09340	3.7
233.11403	0.8
250.12309	9.5
251.12537	0.8
277.10886	0.7
299.45618	0.7
301.46259	0.6
324.17062	1.4
349.84610	0.7
368.16019	2.6
386.46436	0.7
398.17166	23.7
399.07098	3.2
399.17010	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	398.1318
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
54.48069	1.9
68.27143	2.0
69.31234	9.8
69.31656	12.0
70.99080	2.3
93.23621	1.9
94.63221	2.0
96.95878	2.3
99.92458	61.0
100.92443	2.2
115.91949	10.3
116.92729	16.4
118.89859	100.0
119.89846	4.9
120.41277	2.5
134.73647	2.3
134.89352	6.6
135.90158	18.8
150.88805	8.0
153.98178	1.9
162.52367	2.1
166.77357	2.1
362.15530	16.9
398.13229	62.1
399.13480	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	398.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
57.66876	0.3
58.10555	0.3
59.01251	15.1
60.88548	0.3
69.03301	0.4
71.01257	1.3
71.06675	0.6
72.99171	0.5
74.98959	0.5
75.00742	0.4
78.82050	0.3
78.95777	0.5
79.95609	6.8
80.96397	0.5
81.94732	0.2
81.95184	7.2
81.96023	1.0
85.02822	0.7
87.00217	0.7
87.00749	13.3
91.06788	0.3
92.17540	0.3
96.95887	100.0
97.02885	0.5
97.95805	0.5
98.95486	1.6
98.96266	0.3
101.02341	0.5
102.44400	0.3
105.04005	0.3
113.02300	0.5
120.99538	0.6
127.30470	0.3
133.06490	0.9
135.02873	0.8
136.99065	0.5
139.07471	0.3
171.08040	1.0
187.11208	0.4
189.09116	0.6
203.01958	0.6
203.10719	0.9
212.10777	0.6
215.10799	0.4
230.11824	3.7
256.13461	1.0
265.09073	0.7
274.14548	0.5
277.88171	0.3
283.10129	0.6
300.12247	0.5
311.09601	1.5
318.13467	4.8
348.62543	0.3
354.10162	1.1
398.09113	10.8
399.11295	2.2
415.36325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	42.5
71.54152	16.0
77.90870	11.4
78.95773	17.6
94.81576	9.5
96.49683	9.9
96.95884	100.0
152.99547	12.5
183.01245	15.7
204.10007	10.1
212.14769	10.3
232.97629	21.3
255.23167	29.0
257.08606	14.0
268.50595	10.4
339.20099	33.9
375.20438	10.8
375.70013	15.1
397.22961	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63198	1.4
52.01499	1.2
55.01755	1.6
59.01252	28.8
61.98707	11.4
66.22652	1.3
69.47269	1.4
69.47559	4.3
69.47982	6.5
71.04892	2.9
73.02802	2.5
83.04887	7.6
96.95891	1.6
97.06464	5.3
97.67332	1.5
98.20573	3.0
99.04410	1.8
99.07994	2.3
101.05943	5.0
111.04395	15.2
113.06021	2.2
115.07503	4.0
121.02812	1.3
122.03632	3.2
140.04674	11.4
141.01691	1.3
141.05455	3.8
141.09123	19.5
151.11226	1.7
153.12756	53.4
154.13051	1.9
154.40480	1.4
155.14336	1.8
161.21138	1.4
167.14345	2.2
169.12265	3.9
174.99138	1.5
179.10710	34.8
181.12288	7.7
195.10225	3.0
197.11784	18.8
199.13338	100.0
200.13669	5.6
211.13412	2.0
215.12868	7.0
217.00247	5.5
223.20561	1.5
227.12834	3.1
229.14397	18.9
230.14809	1.5
232.97569	9.4
232.99733	2.0
237.14917	5.6
249.18536	3.6
255.16006	64.5
256.16296	5.1
263.16486	3.8
267.19641	81.4
268.20029	6.2
275.16483	7.1
277.18188	6.5
281.17520	5.7
283.19122	4.2
293.17657	17.8
294.17972	1.7
295.19104	2.5
297.20801	1.6
299.16312	1.5
311.18655	38.6
312.19046	3.7
347.65375	1.6
361.23929	3.4
379.24915	26.8
380.25262	2.2
397.09573	4.3
397.20828	2.0
397.25845	29.4
398.25995	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	43.9
69.29418	100.0
75.00748	12.3
76.46461	8.4
82.68597	9.4
93.85140	8.9
96.95882	43.0
98.19817	20.6
116.51717	9.3
126.91005	9.2
232.97522	16.5
255.23154	18.6
274.32962	10.7
279.23276	17.6
299.20132	36.7
299.25940	35.4
305.84167	9.0
397.22769	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	52.5
59.58389	3.3
69.88145	12.7
69.88560	5.5
73.03931	7.3
75.00742	3.9
78.95791	4.1
83.04899	5.6
96.00778	7.3
96.20895	4.4
96.95888	39.8
96.96807	4.0
97.06480	8.3
98.19838	4.9
101.02930	3.2
101.05956	5.9
111.04405	13.5
114.01869	9.5
115.07549	4.6
115.43430	3.4
140.04678	11.2
141.05473	5.7
141.09100	24.1
151.11209	3.4
153.12746	48.4
169.12253	7.8
179.10683	42.5
181.12233	10.1
195.10196	4.2
197.11819	18.2
199.13327	100.0
200.13625	4.8
215.12764	8.8
217.00249	13.2
227.12932	6.6
229.14372	26.9
231.17543	7.4
232.97482	21.2
255.15990	69.8
263.16556	4.8
267.19647	83.2
275.16418	6.1
281.17542	5.4
283.19006	6.5
283.23938	4.7
293.17487	22.5
295.19159	8.3
299.16281	27.5
300.16476	4.7
311.18607	41.5
315.13657	24.3
361.23737	4.4
379.24820	26.3
397.25943	25.8
398.26471	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	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	52.5
59.58389	3.3
69.88145	12.7
69.88560	5.5
73.03931	7.3
75.00742	3.9
78.95791	4.1
83.04899	5.6
96.00778	7.3
96.20895	4.4
96.95888	39.8
96.96807	4.0
97.06480	8.3
98.19838	4.9
101.02930	3.2
101.05956	5.9
111.04405	13.5
114.01869	9.5
115.07549	4.6
115.43430	3.4
140.04678	11.2
141.05473	5.7
141.09100	24.1
151.11209	3.4
153.12746	48.4
169.12253	7.8
179.10683	42.5
181.12233	10.1
195.10196	4.2
197.11819	18.2
199.13327	100.0
200.13625	4.8
215.12764	8.8
217.00249	13.2
227.12932	6.6
229.14372	26.9
231.17543	7.4
232.97482	21.2
255.15990	69.8
263.16556	4.8
267.19647	83.2
275.16418	6.1
281.17542	5.4
283.19006	6.5
283.23938	4.7
293.17487	22.5
295.19159	8.3
299.16281	27.5
300.16476	4.7
311.18607	41.5
315.13657	24.3
361.23737	4.4
379.24820	26.3
397.25943	25.8
398.26471	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	397.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63916	0.4
59.01251	3.6
59.06417	0.5
69.29395	5.2
79.95608	12.6
80.96390	0.9
94.97954	0.6
95.95102	2.3
96.95885	89.8
98.20698	0.7
112.25143	0.6
122.97462	4.6
131.23447	0.6
167.00107	0.6
176.93341	0.5
191.26485	0.5
232.97491	1.4
397.22623	100.0
398.18323	0.4
398.22919	10.0
403.65976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27850	0.2
56.65483	0.2
59.01254	1.4
64.96880	0.4
71.06222	0.6
79.95605	11.5
80.96403	1.3
82.00006	0.3
87.76773	0.3
87.85566	0.2
94.97952	1.3
95.95108	2.2
96.95885	84.4
122.97462	5.4
137.18524	0.2
138.96944	0.5
167.00143	0.3
217.00327	0.3
232.97389	0.4
241.78391	0.2
243.01736	0.3
256.02637	0.3
299.20123	1.2
377.64822	0.3
397.22614	100.0
398.22928	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	397.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60856	0.3
53.81657	0.3
56.25245	0.3
59.01241	0.7
63.18587	0.3
64.96870	0.4
70.82904	0.8
79.95605	12.3
80.96404	1.4
82.63313	0.3
94.97945	0.9
95.95100	2.5
96.95886	92.9
106.64279	0.3
119.30939	0.3
122.97469	5.5
138.96909	0.6
160.99315	0.3
167.00114	0.5
183.17416	0.3
397.22620	100.0
398.22949	10.7
400.75607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36388	0.2
55.01754	0.4
57.03311	0.9
59.01251	4.9
63.38195	0.2
67.01738	0.3
69.03329	1.2
69.54160	1.9
71.01252	7.7
72.99170	0.4
73.02820	1.5
75.00759	0.3
79.95632	0.3
83.01256	1.3
85.02819	4.8
87.00739	0.9
89.02326	1.2
93.03326	5.9
94.03705	0.3
95.01266	1.4
96.95884	1.9
97.02847	0.5
99.00748	0.7
101.02310	2.7
102.98488	0.3
109.02759	0.3
112.01501	0.3
113.02326	7.4
113.05927	0.2
114.54900	0.2
119.03416	0.3
121.01965	0.4
121.02840	8.1
122.03222	0.3
124.05191	0.5
125.02325	0.6
135.04430	0.6
137.02402	0.4
139.03905	100.0
140.04239	3.4
143.03418	0.4
147.11673	0.3
151.00238	0.3
161.04477	0.7
163.03989	0.4
165.01845	0.5
185.00882	0.4
191.03491	0.4
193.08542	0.4
220.03590	0.3
232.68054	0.3
234.28673	0.2
235.17084	1.1
249.16731	0.3
253.18146	0.3
254.88437	0.3
271.02466	0.4
300.02805	0.3
301.09317	1.9
304.09625	0.3
332.21240	0.3
355.17743	0.5
369.09744	0.5
397.09589	1.2
397.14124	0.6
397.18347	0.9
397.22760	2.7
398.22864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1683
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
59.01247	13.3
61.98696	0.7
69.20913	0.6
69.42352	4.2
69.42757	1.6
71.01269	1.5
79.95586	4.2
87.00748	0.8
95.95103	1.4
96.95884	65.8
137.02165	0.8
141.01561	1.2
150.91704	0.7
164.99255	0.7
167.35666	0.7
188.98376	0.9
204.75392	0.7
217.00232	2.6
217.16283	0.7
232.97499	4.7
254.76239	0.6
317.21167	8.5
337.13510	0.9
353.17914	14.0
354.18268	1.8
397.16852	100.0
398.17148	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.6
57.03326	3.4
58.00463	5.1
59.01247	100.0
60.01583	1.2
66.06149	0.5
66.55276	0.5
67.01743	0.6
68.99694	1.1
69.03322	6.8
70.17519	0.4
71.01248	94.9
71.59160	0.8
72.01575	1.7
72.01968	0.5
72.99177	7.6
73.02817	19.3
75.00748	1.9
77.23326	0.5
81.03322	3.3
81.75219	0.5
83.01251	10.3
83.01713	0.9
83.04905	1.1
84.02044	0.5
85.02816	20.7
85.99966	1.2
86.03156	0.7
87.00742	17.9
89.02311	75.5
90.02646	0.8
91.03883	2.2
93.03321	1.5
93.39703	0.5
95.01250	5.6
95.04866	0.6
97.02824	18.5
98.03175	0.7
99.00751	6.0
99.04391	1.2
101.02316	77.0
102.02670	1.2
103.00268	0.8
103.03878	1.9
109.02838	1.9
111.00745	1.4
111.04395	5.3
112.01529	0.9
113.02324	31.9
114.02623	0.7
115.03891	2.4
119.03378	25.4
121.02852	2.4
123.00708	1.0
123.04411	1.1
124.01564	1.3
125.02328	23.7
126.02673	1.0
127.03919	1.7
131.03366	3.3
133.04958	5.6
137.02322	1.2
139.03897	2.7
141.01828	2.0
143.03395	11.1
145.75069	0.5
149.02332	0.6
149.04442	1.9
157.04967	2.0
161.04446	13.8
167.03381	1.4
169.04996	3.1
171.02893	0.6
179.05518	5.8
185.04570	1.4
193.24173	0.5
199.06139	0.6
209.65820	0.5
217.07127	3.0
221.06616	4.8
235.08173	21.7
236.08452	1.2
245.06688	1.4
253.09256	2.3
263.07666	2.9
277.09250	2.2
287.07758	1.7
291.48709	0.5
304.03616	0.5
305.08734	2.1
322.85971	0.5
323.09711	1.8
361.11377	1.9
379.12338	2.1
397.13467	75.2
398.13867	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
70.87006	0.2
70.87339	0.4
71.01237	0.4
73.99413	0.2
79.95604	100.0
80.95539	0.3
80.96387	0.3
87.00758	0.6
95.77886	0.2
96.36308	0.1
96.95885	21.3
101.18631	0.2
109.88773	0.1
113.02309	0.2
135.32892	0.1
152.00142	0.4
173.09650	0.3
199.11230	0.4
223.01477	0.6
227.39665	0.2
227.41827	0.2
228.10072	0.2
256.13440	0.2
336.09131	0.4
396.07465	0.2
396.11331	2.8
397.11075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57993	2.2
95.53264	1.2
96.95872	1.8
99.92458	55.4
100.92502	2.4
115.91949	12.1
116.92747	9.9
118.89856	100.0
119.89873	4.9
134.89352	5.3
135.90144	13.7
150.88847	8.2
197.73402	1.4
206.78374	1.2
245.98685	1.3
308.01926	1.3
347.53610	1.5
351.17358	1.5
356.35840	1.3
360.13968	14.4
396.11630	46.6
397.11722	6.8
397.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84541	0.2
71.45573	0.4
79.95601	2.3
87.00748	0.7
96.95889	100.0
113.54394	0.2
132.53522	0.2
172.53731	0.2
178.21449	0.2
201.11966	0.2
254.11804	0.3
387.19373	0.3
396.07590	13.2
397.07895	1.3
400.68118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15570	0.5
50.94670	0.5
57.69678	0.6
59.01247	2.8
61.98696	0.7
69.32260	5.8
78.95758	1.5
125.09586	0.7
127.11169	1.6
152.99449	0.9
153.12724	1.0
163.11194	3.3
169.12210	0.9
181.12212	3.4
183.13815	2.5
195.13849	12.2
196.14232	0.9
197.11795	1.2
199.13333	100.0
200.13675	5.6
213.14900	17.7
214.15337	1.0
227.18091	0.6
227.20145	2.5
395.28003	17.3
396.28403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09525	0.9
58.00457	4.2
59.01247	17.6
61.98698	3.5
71.52181	0.8
71.53959	1.3
78.95782	1.5
85.07487	0.8
95.04893	2.4
97.06467	1.6
99.07363	1.2
99.08032	25.5
99.92513	1.3
113.09602	1.0
115.07545	1.2
122.01807	0.9
127.07544	5.0
129.09106	58.8
130.09441	2.5
167.06708	1.1
169.07146	2.4
181.12315	2.3
183.13832	48.3
184.14185	2.4
195.13904	4.0
201.08797	1.1
203.10402	1.6
217.00217	1.6
223.13135	7.4
233.07948	1.5
235.09557	1.3
237.11061	2.4
249.14853	1.3
249.21976	1.1
253.10931	1.0
260.59958	1.0
264.13153	1.1
265.10513	2.1
267.12134	12.4
268.12549	1.1
269.95862	0.8
277.21783	3.5
278.11349	3.0
295.22772	8.0
299.19818	1.7
313.23840	78.1
314.24216	8.4
315.19400	1.3
317.20963	15.5
318.21310	1.3
331.18839	5.1
333.20410	1.7
335.22006	100.0
336.22379	9.7
353.21762	3.6
361.19849	1.4
367.19711	9.7
368.20184	1.6
379.21051	5.0
395.23041	5.5
396.23557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01580	1.2
71.01244	3.8
73.02815	2.0
85.02836	1.6
89.02331	1.2
96.95914	1.2
99.00786	1.1
101.02340	4.5
108.22762	0.6
113.02365	1.7
113.87486	0.8
119.97951	0.6
161.04498	2.4
177.09059	0.7
219.98549	0.6
229.18428	0.6
263.14929	1.0
275.15158	1.1
293.16055	8.6
294.16501	1.2
335.17239	2.3
340.47583	0.6
389.74323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52907	0.9
54.99787	0.9
57.96804	0.8
58.00475	2.8
58.38764	0.8
59.01251	14.1
61.98708	5.3
63.95781	0.8
65.16150	0.8
71.01258	2.8
71.57580	1.8
75.73197	0.9
80.07639	0.8
83.50708	0.9
99.04388	1.8
111.00538	2.2
113.02084	1.6
123.08050	1.1
125.09618	8.0
127.11174	10.2
139.11192	1.0
141.09103	8.0
143.10719	1.1
155.10718	5.8
165.09044	6.4
171.10196	10.6
181.08435	7.3
183.09998	8.2
193.06631	2.0
193.08403	41.2
194.08673	1.7
195.10039	5.8
197.07880	1.6
197.10287	2.4
199.09738	2.6
201.11261	60.1
202.11566	3.4
209.07895	2.6
221.07883	1.9
222.08705	2.0
223.09496	100.0
224.09859	4.1
225.07451	3.0
227.09003	5.9
239.09019	2.4
241.09283	21.3
242.09523	2.4
249.22249	1.2
267.08459	6.3
277.21747	6.4
295.22797	4.7
299.19852	1.6
313.23846	96.1
314.24237	8.8
317.20929	24.2
318.21191	1.8
331.18951	3.8
335.22049	65.7
336.22418	6.5
353.21896	5.1
361.19946	2.6
379.21008	5.8
395.22974	17.3
396.23218	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.04622	3.1
70.05019	2.2
89.02284	1.2
96.95889	1.6
99.04386	1.3
101.02355	2.2
102.53478	1.2
107.31198	1.4
137.42397	1.2
138.90512	1.3
149.00725	1.5
152.99358	1.0
240.45192	1.1
404.48758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75003	2.1
52.28786	1.9
59.01249	100.0
69.59160	15.5
71.01248	3.6
72.99153	2.7
73.02801	4.4
89.02312	2.3
91.82074	1.8
98.19769	3.0
101.02319	6.5
103.00248	14.7
113.02313	2.2
135.08038	4.5
145.01321	4.0
147.08087	2.1
156.79549	2.1
161.09650	3.1
163.07465	2.4
171.08080	10.5
173.05928	6.1
173.11765	3.3
185.09613	5.5
189.09183	3.1
190.64383	2.0
195.08044	4.7
201.09071	3.9
213.09120	25.2
214.09453	2.6
216.82686	2.0
231.10269	21.7
232.10411	2.1
257.08099	2.4
275.09171	15.5
293.10309	16.5
335.11517	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	395.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76447	0.2
59.01236	1.6
69.25879	1.8
69.26296	0.8
71.01250	0.5
96.95889	0.4
98.20628	0.3
101.02341	0.4
108.02048	0.6
108.93644	0.3
109.02814	0.5
111.01899	0.3
113.02301	0.3
113.05939	0.4
134.86423	0.2
136.01544	2.2
137.02336	100.0
138.02678	3.6
140.82484	0.2
143.66483	0.2
152.24475	0.2
221.84819	0.2
299.04495	0.5
299.07690	4.5
300.07965	0.5
335.27332	0.3
351.06488	0.3
353.23444	0.4
395.05673	1.2
395.13498	3.9
395.20663	0.3
396.13693	0.5
418.62775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
58.00463	5.1
59.01246	25.2
61.98696	7.0
70.11439	7.6
71.01247	4.3
72.25558	1.5
78.95832	1.6
95.04910	1.9
96.95872	2.7
97.02807	2.1
99.92453	1.8
109.06461	2.3
111.83151	1.4
121.10147	1.8
125.09617	6.2
127.07535	6.0
127.11180	8.7
137.09578	1.9
141.09102	7.8
155.10689	4.2
157.08658	1.6
165.09126	3.1
171.10162	9.2
174.99181	2.8
181.08371	4.3
181.12163	2.6
183.09955	6.5
183.13797	8.6
193.08394	34.3
197.07811	1.9
197.10194	2.8
199.09816	4.0
201.11256	55.0
202.11481	2.4
209.07841	2.9
217.00259	6.8
222.08702	5.7
223.09480	62.2
223.13072	4.3
224.09828	3.6
225.07417	2.2
227.08974	4.8
233.11589	3.2
241.09305	18.1
242.06419	1.9
242.09564	1.8
263.12677	15.6
267.08527	3.9
267.12259	2.2
275.20123	3.4
278.11346	5.6
293.21179	5.6
297.18326	2.9
311.22284	85.7
312.22614	6.5
315.19382	13.4
329.17282	2.1
331.18646	3.8
333.20480	100.0
334.20798	7.9
351.20160	6.7
377.19427	6.4
393.21216	13.4
394.21448	1.9
403.90790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46765	1.1
57.03309	3.3
59.01250	25.6
59.05439	1.0
68.24868	1.1
69.03320	1.6
69.84647	5.5
71.01244	1.1
74.81841	1.1
78.95783	1.2
87.72540	1.2
96.95891	1.7
99.08059	1.6
99.92478	1.6
113.09589	4.9
121.10155	1.2
125.09657	1.2
127.11207	2.7
129.09076	2.1
138.71619	1.0
139.11183	18.3
147.11629	1.4
151.11209	1.5
155.10658	2.3
169.12218	1.4
171.10181	26.8
174.99115	1.5
179.10410	2.3
181.12239	2.3
183.10143	1.3
183.13684	1.3
185.11734	4.3
193.08401	7.0
197.11784	4.7
199.13347	2.2
201.11243	3.5
207.09970	16.3
211.08241	1.4
211.13303	7.7
215.10617	2.0
216.59512	1.1
217.00227	4.6
219.09979	9.4
223.11804	1.4
225.09718	1.8
225.18538	12.4
233.09447	1.5
233.11571	21.5
247.20674	2.5
251.11363	3.8
253.09329	2.5
273.72037	0.9
275.20175	3.3
289.18176	1.2
293.12582	4.8
293.21231	10.1
311.22269	100.0
312.22586	9.8
315.19376	22.0
316.19531	2.3
333.20447	25.4
334.20874	1.6
364.54669	1.0
377.19278	7.1
393.21597	17.0
394.21756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80803	1.0
57.03320	4.3
57.53592	1.0
58.00458	1.0
59.01248	17.4
60.99193	1.1
61.98698	9.7
62.46283	1.1
69.03332	1.1
69.77631	6.8
71.01261	1.0
93.03340	1.1
93.53050	1.0
95.04900	4.8
97.05862	2.1
97.06458	23.2
99.08021	5.5
109.06506	2.0
111.08022	3.5
113.05988	2.1
113.09596	3.4
125.05960	4.3
127.07538	3.8
127.44890	1.3
134.31812	1.1
137.05971	8.0
139.07423	1.5
139.11169	2.4
143.07025	35.9
147.04247	1.2
149.13271	5.1
149.65248	1.2
155.06984	8.8
157.08615	5.1
165.05220	7.7
165.12727	1.2
167.06744	1.8
167.14307	4.0
169.08618	2.4
171.10133	5.3
173.06714	0.8
173.08109	22.9
176.85469	1.0
177.12762	5.1
179.05478	1.2
179.06763	7.2
183.05048	1.0
193.08347	3.2
193.15910	1.3
195.04558	1.5
195.06308	26.4
211.05960	1.8
212.16013	1.1
213.06102	2.5
217.00255	2.5
225.06160	3.3
231.21251	1.6
239.05283	4.3
247.20625	11.7
249.22095	3.3
275.20132	10.6
276.09894	2.2
293.21219	37.8
294.21515	4.5
295.08411	1.1
295.12280	2.1
297.18314	2.5
311.22269	81.7
312.22498	6.1
315.19388	100.0
316.19708	9.8
329.17264	5.3
333.19141	7.0
359.18234	2.3
375.20181	9.9
385.16342	1.1
393.21841	12.3
394.22226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24300	2.4
57.03315	7.4
59.01249	48.4
61.98700	9.7
71.57807	3.9
85.36713	2.5
92.28827	2.7
101.53098	2.7
125.09605	4.6
127.11136	3.3
139.11176	35.8
171.10173	66.1
174.99127	4.0
183.10167	5.6
185.11749	11.7
187.78319	2.6
193.08392	86.7
194.08661	4.8
201.11324	6.0
217.00269	17.0
244.78873	2.9
253.09428	13.6
267.10959	3.3
271.20010	2.5
275.20056	3.4
283.85214	2.8
293.21204	16.3
311.22241	100.0
312.22452	9.6
315.19388	11.2
333.20132	9.7
378.50464	3.0
393.22342	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98147	0.8
59.01245	12.7
61.98695	3.7
68.99727	0.8
71.01288	1.3
71.58656	1.4
75.14785	0.8
83.04895	1.0
84.14745	0.9
84.34612	0.9
87.00696	1.2
89.27664	1.0
91.86160	0.8
93.03318	0.9
96.12576	0.9
96.95901	1.4
117.06966	3.4
139.11205	1.4
149.09578	2.0
151.11159	1.3
157.08591	2.8
179.06781	1.1
195.10185	1.1
197.06644	2.6
207.09888	1.2
209.11732	0.9
217.00247	4.1
217.08383	1.5
225.09709	9.4
229.19576	5.0
235.09531	1.8
247.20551	1.5
253.10445	1.4
293.21216	22.0
294.21506	2.9
297.18384	7.6
304.12793	1.0
311.03519	0.9
311.22272	24.2
312.22614	2.8
315.19385	100.0
316.19690	8.3
329.17303	1.3
333.20071	27.2
334.20020	2.6
337.00061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
58.00463	5.1
59.01246	25.2
61.98696	7.0
70.11439	7.6
71.01247	4.3
72.25558	1.5
78.95832	1.6
95.04910	1.9
96.95872	2.7
97.02807	2.1
99.92453	1.8
109.06461	2.3
111.83151	1.4
121.10147	1.8
125.09617	6.2
127.07535	6.0
127.11180	8.7
137.09578	1.9
141.09102	7.8
155.10689	4.2
157.08658	1.6
165.09126	3.1
171.10162	9.2
174.99181	2.8
181.08371	4.3
181.12163	2.6
183.09955	6.5
183.13797	8.6
193.08394	34.3
197.07811	1.9
197.10194	2.8
199.09816	4.0
201.11256	55.0
202.11481	2.4
209.07841	2.9
217.00259	6.8
222.08702	5.7
223.09480	62.2
223.13072	4.3
224.09828	3.6
225.07417	2.2
227.08974	4.8
233.11589	3.2
241.09305	18.1
242.06419	1.9
242.09564	1.8
263.12677	15.6
267.08527	3.9
267.12259	2.2
275.20123	3.4
278.11346	5.6
293.21179	5.6
297.18326	2.9
311.22284	85.7
312.22614	6.5
315.19382	13.4
329.17282	2.1
331.18646	3.8
333.20480	100.0
334.20798	7.9
351.20160	6.7
377.19427	6.4
393.21216	13.4
394.21448	1.9
403.90790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01248	11.5
67.79013	0.6
69.73318	3.4
71.01247	3.5
72.99181	0.5
73.02845	0.9
83.01272	0.5
85.02827	1.1
89.02300	1.2
96.95889	1.4
97.62426	0.5
98.19665	0.6
101.02320	1.5
102.71484	0.5
113.02368	1.2
127.11182	1.3
161.04456	0.7
167.07019	1.0
171.10170	2.8
183.13954	0.5
195.54584	0.6
213.14949	3.4
229.14432	2.4
231.15974	100.0
232.16341	6.0
350.07901	0.6
393.21362	3.9
394.17908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01580	1.0
62.69321	0.4
67.41366	0.3
69.22181	0.3
69.52975	2.7
81.80530	0.3
87.00796	0.3
104.76492	0.3
119.04893	0.8
393.19110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38540	0.3
52.44867	0.3
59.01248	100.0
60.01582	1.1
69.50134	1.3
69.50545	1.2
70.59701	0.3
87.96503	0.3
96.95861	0.3
106.85690	0.3
174.92755	0.3
264.25516	0.3
393.19290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	100.0
61.98692	23.6
62.59848	6.5
71.58459	6.7
71.58861	9.7
72.99200	11.4
78.95763	36.0
90.92961	7.4
96.95903	15.3
118.40408	9.0
121.02815	61.9
122.03113	13.8
129.62729	7.7
138.96150	8.9
174.99214	12.4
177.51715	7.6
211.13301	8.9
217.00301	62.6
361.88690	8.9
393.24539	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	1.2
69.58046	3.3
71.01253	1.0
77.89635	0.4
85.02834	0.7
89.02345	0.4
96.95915	1.3
98.19840	0.8
101.02316	1.2
101.47463	0.4
113.02338	0.5
152.01143	0.8
161.04437	0.5
165.01843	2.1
167.03450	1.5
180.04274	0.9
195.06615	1.6
204.59293	0.4
225.07788	0.6
240.84856	0.4
261.13586	0.5
291.14493	0.7
393.17673	0.9
394.96140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1109
Annotation	Kealiiquinone
Peak:m/z	Relative Intensity
59.01240	100.0
69.03313	11.6
71.01241	15.9
71.21832	26.3
74.93011	9.6
79.95634	12.6
96.95869	42.7
99.00770	12.3
102.57274	10.8
103.00124	21.3
134.03642	14.6
135.04393	11.2
139.94325	9.5
144.99527	10.9
146.99072	21.9
179.06372	11.0
185.00716	15.4
213.14967	14.5
217.00291	18.0
275.09088	14.8
288.54041	10.8
318.69220	9.5
320.08719	9.6
370.77783	10.1
393.11035	36.0
393.19095	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	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
66.30932	10.7
71.48672	22.1
89.02342	11.5
108.86359	12.2
111.64298	10.1
189.47458	11.3
240.16554	10.8
246.58936	14.1
255.23393	50.0
288.25348	11.3
304.71567	10.9
334.41861	14.1
363.42773	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	392.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	23.0
59.20963	4.0
61.98704	100.0
72.29546	3.9
91.10923	4.0
96.95855	5.7
97.80900	3.7
98.51003	3.8
112.98666	8.9
119.04897	6.4
133.02731	7.7
134.03598	11.4
134.77168	4.5
135.04408	20.3
137.02345	5.0
149.00821	5.9
157.06772	4.3
161.02351	23.6
178.02600	6.4
179.03357	8.0
181.44351	4.4
197.19662	5.2
229.28363	5.1
302.77765	4.2
392.07516	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	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32504	7.0
52.83794	8.0
54.65459	7.6
59.01253	100.0
70.45747	25.2
76.84887	7.4
83.21768	6.9
96.73017	7.2
115.89577	7.9
212.87349	8.1
229.48401	8.1
240.94864	9.3
245.94057	7.9
255.23239	9.5
362.41617	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17508	1.1
57.03303	2.1
59.00946	2.5
59.01248	51.7
67.64319	0.9
69.03310	1.9
71.04880	3.5
71.45364	2.1
80.21186	1.4
83.04872	1.5
84.38637	1.2
89.84255	1.0
93.03326	1.0
95.04937	2.3
97.03955	1.2
97.06473	2.6
111.08046	15.9
126.82819	0.9
137.09637	1.8
144.03915	1.0
147.08096	1.6
147.11693	4.6
151.11142	1.7
153.12827	1.1
165.12753	5.9
169.12241	6.2
171.10207	2.1
174.99146	4.4
175.80019	1.0
181.12326	1.2
183.13826	1.7
197.11760	66.8
198.12160	3.2
199.13326	1.9
209.15395	6.9
211.13293	5.8
215.10516	9.7
217.00255	18.4
219.09958	6.7
223.17023	2.4
225.14828	2.4
227.12839	1.7
233.11542	100.0
234.11868	6.6
237.09750	1.8
249.13368	2.6
251.11398	6.2
251.16516	4.3
252.11772	1.3
255.13861	1.7
263.20074	3.1
265.17935	1.4
273.14694	2.8
273.18320	1.2
279.10812	1.9
291.19666	15.6
293.12430	14.7
294.12527	2.2
309.20706	49.5
310.21024	6.3
313.17758	12.4
314.18146	1.2
331.18713	6.4
375.17886	1.3
391.20764	5.8
392.20529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.5
59.01249	83.3
59.57357	1.8
60.01554	2.5
69.03327	7.8
69.49001	1.8
71.13521	3.7
83.04903	2.5
85.57630	1.8
87.54393	2.1
93.03335	5.4
93.07008	2.1
95.04902	3.7
99.98462	2.0
107.08589	4.4
111.08027	10.7
116.15154	1.8
117.64095	2.1
118.45014	1.8
119.08538	17.6
121.10088	3.9
125.09618	6.7
127.11133	3.7
135.08096	3.0
137.09615	50.3
139.11176	7.1
147.08055	2.7
151.11197	6.5
153.09068	3.4
155.10716	4.5
157.08598	14.2
162.10437	2.4
167.07196	1.9
167.10660	7.0
171.10181	98.6
172.10541	3.8
174.99132	12.5
179.06851	6.2
179.10490	3.5
181.55461	2.5
183.10181	4.9
185.11765	22.9
187.09647	5.2
193.08392	19.4
195.10190	2.2
195.14011	2.3
197.11803	13.0
201.11218	5.2
207.09961	94.2
208.10297	4.2
208.96390	2.1
211.08167	3.3
211.13322	3.2
213.11258	5.4
217.00253	43.2
219.09944	14.4
221.11746	4.2
223.09512	2.2
223.11693	2.2
225.09850	3.8
227.18076	2.9
229.19603	2.4
245.19136	7.4
247.13133	2.4
253.09419	11.1
254.09483	2.2
267.10812	2.8
273.18542	9.4
291.19617	41.7
292.19977	3.7
292.55084	2.1
295.16708	6.1
309.20679	100.0
310.21057	8.3
313.17838	95.1
313.21478	4.8
314.18271	9.7
331.18329	4.4
373.18713	4.9
391.20444	19.8
392.20752	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.0
58.18717	1.4
59.01249	100.0
69.03323	4.1
71.01255	4.5
71.58659	2.3
75.00757	1.8
78.95779	3.4
83.04900	1.9
83.23490	1.4
93.03350	2.2
96.63544	1.4
96.95908	2.5
96.96862	4.8
97.02820	8.2
108.05655	1.6
119.08553	11.6
121.10075	2.4
123.08068	1.4
125.09596	6.8
127.11182	2.1
137.09625	28.5
139.11195	4.4
149.09593	2.1
155.10693	4.0
157.08669	2.2
167.10674	3.8
169.39081	1.4
171.10173	55.1
172.10463	3.3
174.99155	10.5
177.09024	2.7
179.06847	10.6
179.10423	1.8
181.20743	1.5
183.10245	4.0
185.11743	13.0
193.08385	6.5
195.10094	2.1
201.11201	6.3
207.09961	68.5
208.10294	3.5
213.11255	4.0
217.00241	45.9
217.15971	1.7
218.00548	2.4
220.14655	13.6
221.15376	22.6
225.09726	2.6
236.10493	24.3
237.10869	1.8
245.19112	5.0
253.09370	4.1
256.15570	1.3
267.10751	3.9
273.18604	6.3
291.19644	14.5
293.17554	8.5
295.16849	2.6
309.20706	42.2
310.21008	3.5
313.17816	54.2
314.18094	2.5
331.18246	5.4
334.07306	28.7
335.07718	3.1
337.13223	2.5
357.61618	1.6
365.82434	1.5
373.18723	2.9
391.20410	8.0
392.20505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
58.99480	0.6
59.01249	57.1
60.01577	0.8
61.60131	0.4
69.03319	0.4
71.01249	6.5
71.58524	0.7
73.01002	0.5
80.96377	0.7
85.02828	0.8
88.01094	0.5
89.02348	0.6
95.01282	0.4
96.95894	1.7
101.00545	3.0
101.02342	1.3
113.02336	2.5
115.00229	1.3
133.02853	2.1
134.03651	4.7
135.04385	1.2
137.02293	0.9
144.99527	3.3
159.04616	0.4
161.02414	0.6
161.04465	0.9
162.03094	1.5
165.12762	0.6
167.14319	14.9
168.14690	0.8
174.99142	1.0
177.01799	0.6
178.02527	1.1
179.03635	0.7
181.31833	0.4
209.15404	1.1
211.13332	15.2
212.13718	0.7
217.00229	6.8
229.14397	100.0
230.14717	7.5
231.10207	2.9
243.15933	1.6
253.14420	2.5
271.15579	1.9
275.09244	10.5
276.09671	1.3
391.19696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01600	0.8
66.64286	0.4
70.87709	0.8
70.88086	0.9
71.01256	5.7
72.99216	0.4
73.02821	0.5
83.01286	0.4
85.02839	1.8
87.00733	0.8
89.02319	5.7
93.03390	0.7
95.79932	0.4
96.95898	2.3
98.11332	0.4
101.02325	3.5
109.02847	0.7
113.02328	2.7
119.03372	3.0
119.93736	0.4
131.03462	0.4
132.67479	0.4
137.02351	0.8
138.66389	0.4
139.00293	0.4
143.03458	0.7
150.03232	0.4
161.04530	1.2
171.10236	0.5
171.62065	0.4
179.03406	0.4
179.05585	1.1
191.05608	1.4
211.13388	0.7
229.14413	13.4
230.14764	0.6
277.88263	0.5
331.17776	1.2
343.11917	0.9
372.63275	0.4
391.10541	0.7
391.19806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01581	0.8
68.29258	0.4
69.47707	0.8
69.48103	3.0
71.01244	4.5
78.95802	0.7
83.88413	0.4
89.02326	0.5
90.96096	0.4
96.95906	0.9
98.20521	0.6
101.02341	0.5
115.00284	1.2
133.02873	1.8
134.03633	4.0
135.04431	1.3
137.02248	0.4
152.99542	0.8
162.03148	1.7
174.99179	1.5
213.14862	0.5
217.00243	4.6
218.00638	0.6
231.10217	2.3
251.48250	0.4
274.94431	0.4
275.09241	8.1
275.12051	0.7
276.09650	0.8
347.00952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01743	1.6
57.03322	1.7
58.00463	1.3
59.01249	99.7
60.01575	1.3
69.58073	5.4
71.01253	21.3
71.04886	1.0
72.99172	2.4
73.02811	3.1
75.00732	1.0
75.61643	0.7
83.01261	2.7
85.02831	6.1
87.00749	1.5
88.36681	0.8
89.02312	14.5
93.36429	0.7
95.01244	1.4
96.95894	4.1
99.00720	0.8
101.02328	15.0
113.02331	8.4
115.03876	3.3
119.03395	5.1
120.99571	1.7
124.62778	0.8
130.08585	0.8
135.04411	0.7
141.34470	0.9
143.03270	0.9
143.66127	0.8
158.38087	0.7
161.04436	2.9
179.05528	1.1
186.14842	1.1
193.12108	0.8
204.06113	0.7
211.13341	9.8
212.13664	1.0
228.66830	0.9
229.04918	1.0
229.14400	4.4
331.17545	5.3
391.19702	100.0
392.19910	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
58.00443	1.5
59.01248	100.0
69.44447	4.4
69.44880	4.2
71.01250	25.7
72.99170	2.7
73.02811	6.6
79.95621	4.7
83.01236	3.3
85.02818	8.0
87.00735	3.0
87.04382	1.3
89.02306	20.5
89.83824	1.0
95.01281	1.1
96.95886	12.1
98.02326	1.1
101.02311	19.5
112.00317	1.2
113.02319	12.0
119.03401	8.6
121.02834	1.5
125.09593	1.2
131.03450	1.1
135.04390	3.9
143.03439	1.1
150.03146	5.5
151.03680	0.9
161.04420	2.6
165.05458	3.6
166.06197	1.6
172.07556	1.0
173.49332	1.0
176.03896	2.0
179.03381	2.9
179.05536	2.2
181.08632	1.5
183.74037	1.0
187.09764	5.7
187.11099	1.1
191.05547	4.0
193.12134	1.0
195.06552	3.5
211.13333	5.2
229.14383	12.7
275.09091	2.4
331.17578	1.2
343.11984	1.5
357.14655	1.9
373.18640	6.2
391.19601	87.2
392.14777	1.8
392.19931	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41172	1.1
59.01248	100.0
60.01581	2.0
69.68201	5.8
71.01250	4.5
72.99167	0.9
73.02841	1.3
75.08736	1.0
85.02828	1.5
89.02307	3.6
93.03366	1.2
95.04882	2.0
96.95419	0.9
96.95904	8.6
98.95477	1.5
101.02288	4.6
112.32955	0.9
113.02311	2.6
114.05624	1.1
119.03390	2.1
121.02850	1.8
122.03633	2.3
126.24632	1.1
135.04337	1.1
143.03479	1.0
147.04268	0.9
149.02400	2.4
150.03140	11.8
152.12488	0.9
161.04459	1.8
165.05496	9.8
179.05585	1.2
180.04202	2.2
195.06578	7.6
200.89394	1.0
207.06615	1.3
211.06062	1.0
213.16466	1.0
219.69171	0.9
251.69687	1.1
331.17575	1.7
342.54620	0.9
343.11728	1.6
391.19647	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.9
64.83913	2.4
67.38364	2.2
70.15638	2.1
70.95892	6.0
75.25002	2.8
78.90099	2.2
93.03343	3.7
96.95879	4.9
105.44344	2.1
108.02052	40.9
109.02837	2.8
121.02856	5.3
122.03637	12.4
123.04420	97.2
124.04752	5.2
136.01563	6.1
149.02350	51.7
150.03143	96.1
151.03886	6.9
152.00993	4.4
164.04703	7.7
165.05492	100.0
166.05884	4.9
167.03423	7.2
180.04237	8.6
193.18228	3.2
194.25433	2.5
194.41074	2.5
195.02924	47.4
195.06560	49.0
215.75787	2.9
253.73871	3.4
256.07401	10.4
271.09717	12.3
391.10208	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	391.1972
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01756	0.8
57.03313	2.2
58.00478	1.2
59.01250	51.0
67.15004	0.7
69.03315	1.1
71.01254	20.2
71.57092	1.0
72.01573	0.6
72.99173	2.0
73.02795	4.3
75.00739	1.2
83.01250	2.8
85.02819	6.1
87.00750	1.2
88.90081	0.6
89.02317	11.5
95.01272	1.5
96.95871	0.8
99.00755	0.9
101.02317	10.7
105.03303	0.6
108.00575	0.7
113.02322	5.2
115.00268	1.3
115.67091	0.7
117.05415	1.1
118.25094	0.7
119.02642	0.7
119.03335	3.3
127.11147	1.1
129.01865	0.8
133.02827	1.5
134.03658	3.3
135.04405	1.4
137.09608	1.0
147.03033	0.9
155.10767	0.8
157.83809	0.7
162.03088	0.9
171.10182	4.0
183.13840	1.7
209.11790	1.2
211.13345	12.9
213.14940	1.4
217.00243	1.6
229.14413	24.0
230.14824	0.9
231.10178	3.2
275.09213	7.8
276.09552	1.0
373.18674	2.1
391.19702	100.0
392.15469	1.0
392.20093	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67814	4.4
56.05695	4.0
59.01251	100.0
59.12691	3.6
68.47533	3.9
70.05580	14.7
73.03770	4.1
73.82536	3.9
395.80142	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	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	69.8
61.98701	100.0
62.18460	4.7
66.12481	4.7
70.46727	4.8
71.01251	28.2
71.58527	7.0
72.99174	16.7
75.00789	5.9
81.04463	5.5
87.00761	8.7
96.95897	11.7
112.40430	4.7
128.72957	4.9
134.03659	28.4
135.04446	6.7
161.02325	12.0
162.03162	30.1
172.10515	6.2
176.16269	5.5
196.19987	5.4
217.00275	18.5
275.09274	52.5
316.09177	8.6
362.22797	6.1
383.36496	5.1
390.09357	7.2
391.21625	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	391.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01248	8.5
59.50463	0.2
60.01572	0.3
69.03305	0.4
70.76553	0.9
71.01260	2.2
72.99177	0.4
73.02814	1.1
79.95605	56.2
80.95563	0.4
80.96384	0.4
85.02822	0.8
87.00749	13.9
89.02309	0.9
91.87915	0.3
95.95113	2.3
96.95887	100.0
98.95466	0.9
101.02340	1.0
109.02831	0.5
111.94602	2.1
113.02318	0.8
125.02300	0.3
125.09595	0.3
135.04390	0.5
135.98235	0.3
143.08528	0.4
145.23436	0.3
145.70415	0.3
147.04402	0.6
147.08064	0.4
149.06021	0.7
151.07573	0.3
151.08731	0.3
161.09659	0.6
164.07076	0.7
166.06212	0.3
167.97211	0.3
172.05354	0.3
173.06023	0.3
173.13170	0.3
179.07074	0.4
187.04993	0.3
187.07579	1.4
187.09602	0.6
205.08571	1.6
206.09383	0.4
207.10248	0.3
213.09201	0.4
215.10860	0.3
217.00238	0.4
223.09796	0.3
229.14476	1.5
231.10196	1.1
259.09579	0.4
275.09296	0.7
293.10483	0.4
294.11127	1.1
311.11322	2.4
312.11856	0.4
331.17801	0.4
345.06549	0.5
349.18842	0.4
373.05695	0.5
374.06760	2.1
391.07016	9.7
391.19803	3.5
392.07443	1.0
392.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1968
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
51.14693	0.7
59.01249	7.3
71.01270	0.8
71.57196	1.4
72.10909	0.7
85.02843	1.0
117.07002	2.2
121.56395	0.7
159.11650	0.8
161.05954	3.0
166.56316	0.7
174.99173	1.0
187.11151	0.9
217.00238	3.3
230.86925	0.9
255.17497	12.9
256.17984	1.5
297.15036	1.4
299.16507	100.0
300.16833	10.1
311.16504	2.3
329.17566	91.9
330.17889	11.0
389.19800	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	55.2
63.62024	16.3
69.81708	100.0
71.01266	20.2
78.28256	15.3
79.95602	20.3
80.96381	64.2
88.85514	18.3
92.22758	15.2
105.83691	16.6
114.41177	18.5
136.20979	17.1
167.28453	15.9
190.82593	18.7
197.11862	23.3
237.22186	15.8
255.23254	35.8
278.38705	16.4
298.65726	16.4
299.04416	18.1
389.19205	68.4
389.69275	25.8
390.19855	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38021	36.0
53.46521	32.8
59.01242	92.8
62.68511	37.6
65.07848	34.1
69.03316	49.2
70.80729	69.9
70.81052	46.8
80.96398	70.9
95.37443	37.5
190.46397	37.9
191.02963	41.9
197.11713	39.6
299.04358	56.5
323.22168	37.3
389.18839	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29963	4.0
55.96393	4.4
59.01252	100.0
60.80130	4.4
60.90891	4.4
62.49448	4.9
66.98036	5.1
71.57837	8.1
84.88873	4.7
91.18159	5.5
106.93053	5.1
108.08700	4.7
153.45461	5.2
168.16890	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01756	1.4
57.03302	2.0
58.00464	2.5
59.01254	43.6
60.01613	1.1
69.03316	1.5
71.01253	27.6
71.02223	2.1
71.04895	9.8
72.99176	2.3
73.02819	100.0
74.03136	2.5
79.95629	2.0
83.01257	2.9
83.04897	3.2
85.02828	9.3
87.00760	3.3
89.02316	23.3
95.01259	2.2
95.95135	1.3
96.95891	86.2
98.95480	1.1
99.00780	1.1
99.04390	4.1
101.02318	17.1
113.02330	12.7
119.03387	11.1
120.99539	2.3
133.10138	4.1
134.03644	1.1
135.08084	7.1
135.11687	14.0
143.03378	1.7
149.09590	1.2
153.12828	1.3
161.04443	2.2
179.05566	5.5
179.10678	5.7
183.13802	1.6
209.11690	1.3
227.12836	45.5
228.13152	3.2
315.14355	2.4
371.17218	1.6
389.05365	10.1
389.18106	57.8
390.18430	4.8
396.46786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.58247	0.4
57.03329	0.9
58.00482	0.4
58.01316	0.3
58.39898	0.3
59.01250	8.2
65.30103	0.3
67.85310	0.4
69.03298	0.5
71.01255	3.1
71.04926	0.4
71.38779	0.7
73.02821	0.6
85.02820	1.1
87.00809	0.5
89.02318	2.4
95.01268	0.5
96.95895	1.6
97.06532	0.5
101.02317	2.1
111.08058	1.6
113.02332	2.4
119.03414	0.8
154.47781	0.4
161.04494	0.7
165.12764	22.9
166.13080	1.0
179.05473	0.6
183.13834	78.7
184.14151	4.4
197.15427	2.1
207.13864	1.6
209.11766	2.9
225.14990	1.2
227.12845	100.0
228.13181	5.6
251.12817	3.2
263.12964	0.3
269.13980	2.1
270.03345	0.4
284.27847	0.4
293.14111	0.6
337.76785	0.4
389.18094	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03317	3.4
57.35635	1.0
58.00471	1.2
59.01248	100.0
66.91878	1.0
69.03313	3.4
71.01250	36.5
71.41902	1.0
71.57595	1.7
72.99157	6.2
73.02812	34.6
74.98948	6.2
75.00735	1.4
80.09019	1.1
80.96354	1.2
83.01250	13.1
83.04904	1.5
85.02813	5.7
85.06506	1.7
87.00735	6.2
87.04391	1.7
89.02308	11.0
95.01319	1.4
96.95879	13.1
97.02808	1.7
97.06458	1.7
99.00742	2.9
99.08044	3.5
99.84812	1.1
101.02315	33.5
109.06491	1.4
111.00793	1.4
112.98669	2.0
113.02325	8.2
119.03377	3.6
120.99522	1.1
123.08036	1.5
125.02299	2.4
131.03363	2.2
133.02846	1.3
134.03593	2.4
135.04427	3.0
136.99043	8.0
137.02347	1.3
143.03416	2.6
143.10631	1.6
149.04433	1.5
153.09064	1.0
161.02325	3.6
161.04495	5.5
165.12729	2.6
166.72467	1.1
167.10677	22.7
175.03880	1.8
175.07550	1.6
183.13802	3.4
185.11740	2.6
187.07477	2.2
187.13416	1.2
202.06235	1.2
203.03377	1.3
227.12871	15.1
229.08542	1.3
239.14629	1.8
248.03217	2.6
257.08072	1.3
293.21127	3.5
297.07214	1.1
301.95428	1.1
311.22150	1.6
315.08740	2.0
329.16055	1.8
329.23410	2.4
347.17172	8.1
352.44379	1.4
389.08609	3.4
389.17972	31.3
389.25394	48.0
390.18628	2.6
390.25574	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	12.0
67.25240	1.9
71.01248	5.1
71.58900	2.7
73.02827	2.4
79.95604	2.6
85.02808	3.1
85.60178	1.7
89.02338	2.0
93.03329	1.9
94.41354	1.6
95.01230	1.8
96.95874	18.8
101.02337	4.1
103.91885	2.4
112.83261	1.8
113.40196	1.7
114.16615	1.9
115.28947	2.0
121.02846	14.0
123.04437	1.8
126.91906	1.7
146.03625	23.0
147.04439	2.9
149.02348	100.0
150.02702	4.5
155.55934	1.8
161.05962	5.1
164.04710	32.2
165.05482	6.1
179.07057	31.8
180.07501	2.2
183.13812	3.8
187.07761	1.8
188.62769	2.1
227.12779	3.0
239.81636	1.9
255.03189	2.5
283.09625	3.5
312.10065	25.2
313.10403	2.8
327.12363	94.3
328.12857	9.7
389.08273	3.9
389.17487	2.3
389.25446	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	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.0
67.35635	0.8
71.01257	1.5
71.28608	1.1
79.95607	1.9
85.02835	1.5
96.95885	16.7
98.95461	1.3
119.03422	1.0
120.50644	0.9
132.61246	0.9
137.60631	1.1
140.01062	1.3
151.03922	1.8
153.01830	11.3
161.02359	1.3
167.03412	27.0
168.03908	1.6
179.03429	5.8
181.04950	1.6
194.05688	1.6
196.03687	21.8
197.04478	48.8
198.04836	2.8
209.08153	1.3
211.06062	25.8
212.06837	66.5
213.07169	2.9
227.05562	3.1
227.09201	100.0
228.09546	6.0
282.60657	0.9
359.09854	7.2
374.12198	8.2
389.05402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37143	0.2
56.97128	0.2
59.01242	0.4
62.59235	0.2
71.44865	0.3
76.24756	0.2
79.95603	7.9
80.14619	0.2
85.02798	0.2
87.00743	1.2
95.95106	8.4
96.69062	0.3
96.95884	100.0
97.95798	0.4
98.95468	0.4
105.56917	0.2
113.02306	0.3
159.07974	0.2
163.56470	0.2
173.05943	0.3
175.07529	0.2
188.04700	0.3
191.07100	1.4
203.07060	0.5
204.07829	0.4
248.10474	0.5
274.08411	0.3
275.09277	0.3
277.07281	0.3
292.09668	1.0
344.05698	0.3
356.05905	0.6
389.05392	4.0
389.18338	0.3
390.05490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00888	0.6
54.27928	0.6
59.01252	8.2
65.84013	0.7
69.03311	0.8
71.01257	4.2
72.99178	0.7
73.02818	1.8
79.95602	1.4
83.01297	1.0
85.02808	1.5
87.00771	1.7
95.01207	0.7
96.95891	13.9
101.02342	2.1
108.02046	1.2
113.02324	2.1
119.04897	1.2
120.99541	1.9
121.02859	1.5
122.03638	1.2
123.04436	1.0
134.03647	4.3
135.04434	1.1
137.02315	1.7
145.83984	0.7
147.04453	7.7
148.05229	5.8
149.02312	3.0
149.05951	0.7
150.03162	5.1
150.04112	0.7
151.03906	1.4
160.05200	2.8
161.04391	1.0
162.03110	1.8
162.06779	2.0
165.05473	7.7
167.76680	0.9
176.04735	3.2
178.02615	1.4
180.04169	1.9
185.08131	1.8
185.11873	1.2
190.06371	0.9
191.07069	21.9
192.04256	1.0
192.07408	1.4
193.05009	5.8
193.06534	0.9
194.05722	3.5
195.06505	4.5
195.08133	1.5
197.05937	1.0
209.06076	1.0
209.11734	1.1
211.07587	2.2
221.06010	2.9
222.06630	0.9
223.07629	2.1
224.04749	1.1
227.07166	0.8
235.07637	0.8
237.05531	4.2
238.06267	2.1
239.07141	13.3
240.07420	0.7
249.05545	3.1
250.06285	1.9
251.07030	4.0
252.07848	2.1
253.08421	1.2
255.06473	0.8
257.08118	1.1
264.07877	0.9
265.05194	1.3
266.05814	1.6
267.06628	65.4
268.06973	5.8
270.09073	1.2
279.06577	4.5
279.09726	0.8
280.07346	1.4
281.08249	1.1
282.08990	43.8
283.09479	5.0
285.11325	1.9
287.15073	1.3
293.08081	0.8
294.08984	4.6
295.09659	1.4
297.11325	100.0
298.11679	9.2
299.30374	0.6
309.11301	7.9
310.11804	0.7
327.12387	9.0
328.12900	1.0
329.16113	1.3
341.10269	2.7
347.17102	1.0
359.11136	0.7
389.13260	1.0
389.18164	5.7
390.19406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
71.01246	16.6
76.41136	7.7
86.29371	7.6
89.02326	20.6
98.29169	7.2
101.02332	17.2
161.04408	10.6
387.20407	10.7
389.11298	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	387.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
67.36635	0.8
69.51680	3.5
69.52102	3.9
71.01240	3.1
80.96376	0.8
87.56973	0.9
89.02306	2.8
98.20650	0.9
101.02329	4.1
113.02317	1.2
119.03403	1.9
132.82205	1.0
141.01613	2.7
189.65204	0.9
203.00328	0.9
233.02992	0.9
387.12173	2.0
387.19788	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	387.254
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
55.01756	13.6
55.69534	1.8
57.35728	1.5
59.01243	12.2
70.84981	1.8
71.01250	5.5
71.57780	2.4
82.27388	1.7
83.04894	6.8
83.61159	1.8
85.02814	37.5
89.02315	2.3
97.65970	1.6
101.02328	2.4
123.08067	2.8
138.91475	1.6
141.01601	1.9
161.04451	2.0
222.06108	1.4
234.93239	2.1
301.21664	14.2
318.89075	1.6
387.25336	100.0
387.29120	3.7
388.25537	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	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48977	0.5
57.03302	0.7
58.00465	1.6
59.01249	7.5
64.77026	0.5
71.01255	2.4
71.24032	1.3
72.72768	0.5
82.58187	0.5
85.02805	0.7
85.20821	0.5
89.02308	2.9
91.03879	9.2
97.06483	0.6
101.02283	1.0
119.03381	0.6
125.09606	5.3
127.11174	6.5
127.23866	0.6
137.09660	1.0
139.11171	1.2
141.01590	1.5
141.12712	0.7
153.46208	0.6
155.10675	2.5
165.09103	2.4
166.06483	0.6
171.10181	9.2
183.10149	1.5
193.85562	0.5
199.09698	2.6
201.11255	47.7
202.11598	2.3
251.05811	0.5
277.21713	6.0
278.22095	1.0
295.22772	5.0
313.23831	100.0
314.24155	8.7
369.13354	0.8
387.14536	0.7
387.20355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	11.4
59.01249	78.7
69.41070	10.0
69.41476	29.6
71.01260	11.7
82.87411	3.9
85.02827	36.8
89.02334	9.5
99.87498	3.9
101.02320	11.1
113.02335	7.1
123.04381	4.8
127.62039	4.1
179.84024	4.1
227.38412	4.8
247.54666	4.4
301.21826	17.3
387.20526	9.6
387.25311	100.0
388.25562	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97292	0.2
55.01753	1.1
57.03319	1.2
58.00477	0.4
59.01248	100.0
60.01585	0.8
68.30447	0.2
68.99670	0.2
69.03334	0.3
69.26937	2.1
71.01249	17.3
72.01553	0.2
72.99194	0.8
73.02817	5.2
75.00751	0.6
79.95630	0.3
83.01250	2.8
84.75406	0.2
85.02820	7.5
87.00751	1.3
89.02306	3.5
95.01258	1.3
96.95879	2.2
97.02839	0.5
97.06462	0.6
99.00742	2.0
99.04446	0.2
101.02314	13.4
102.02665	0.3
109.06528	0.3
111.00753	0.3
112.01495	0.2
113.02326	6.8
119.03389	1.4
120.99554	0.2
125.02359	0.6
129.01799	0.3
131.03397	0.5
137.09630	0.3
143.03424	1.0
149.09607	0.3
159.02890	0.8
161.04459	7.3
162.04770	0.2
165.12744	5.2
165.14050	0.3
166.13103	0.4
173.05978	0.2
181.12296	0.6
183.13850	0.4
189.53784	0.2
195.13939	0.7
213.14958	0.4
221.06847	0.3
225.11256	2.7
225.14864	0.6
267.12460	0.4
316.20654	0.2
327.14532	0.3
327.18057	2.8
345.19138	21.9
346.19516	1.9
387.10822	0.3
387.18872	1.7
388.19904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24743	0.7
50.48444	0.7
55.01762	6.6
57.03317	4.6
58.00469	2.4
59.01250	59.3
60.01582	0.7
63.23073	0.6
68.89476	0.7
69.57347	3.5
69.57758	1.7
71.01250	100.0
72.01599	1.1
72.25074	0.7
72.99185	3.5
73.02814	26.3
75.00742	1.8
83.01260	12.8
85.02821	40.0
86.03165	1.1
87.00764	4.7
89.02313	31.5
95.01260	8.1
97.02823	2.3
98.20514	1.4
99.00756	11.7
99.04383	1.5
101.02318	72.3
102.02658	1.0
113.02325	43.9
114.02663	0.9
119.03383	14.6
125.02313	1.6
129.01823	2.1
131.03456	1.7
143.03409	3.7
158.02971	0.7
159.02887	6.9
161.04463	32.7
163.11205	1.2
179.05574	2.1
181.12289	2.1
189.12796	1.8
207.13776	4.6
225.14871	3.4
387.15863	1.4
387.20285	14.9
388.20850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97718	0.2
58.76035	0.3
59.01249	100.0
60.01593	1.0
68.19450	0.3
69.03293	0.3
69.42540	0.2
71.01251	5.3
71.04908	0.3
71.29668	0.5
72.99184	0.5
73.02814	3.7
73.98200	0.8
74.98951	0.3
75.00735	0.3
83.01259	1.3
83.04894	0.3
85.02820	2.1
87.00755	2.7
89.02321	1.5
89.04718	0.3
95.01273	0.4
96.95910	1.7
97.19346	0.3
99.00770	0.8
101.02326	4.4
111.00732	0.3
113.02337	1.4
118.96864	0.3
119.03377	0.9
120.99512	0.9
122.99122	0.5
134.03587	0.3
135.04460	0.4
143.03334	0.4
150.03088	0.5
161.04399	1.1
163.03967	0.4
175.03938	0.3
179.07007	0.5
190.83072	0.3
205.99118	0.3
209.04359	0.3
235.11566	2.5
236.11839	0.4
243.14203	0.4
253.12695	1.7
271.13736	6.4
272.13870	0.8
280.12967	0.3
281.04846	0.4
299.13165	4.2
300.13229	0.3
317.02377	0.4
345.18866	1.0
345.22513	0.4
359.15192	0.6
387.14725	9.2
387.23547	0.6
388.14984	1.3
407.73877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
59.01247	23.6
60.31947	1.3
71.01251	6.6
72.99184	1.1
83.04899	1.5
85.02807	1.4
89.02303	3.1
92.92760	2.7
96.95864	2.6
99.08042	7.1
101.02306	4.1
119.03341	2.1
125.09583	2.2
127.11145	3.1
139.11137	2.1
153.25058	1.1
155.57458	1.1
165.12732	4.8
167.14308	2.5
171.10185	9.7
173.04553	1.1
183.13806	7.8
193.08356	4.3
193.12267	2.9
209.11797	2.3
211.13339	44.5
212.13612	1.8
217.81758	1.2
221.11523	2.6
229.14426	25.6
229.16711	1.2
230.14748	1.7
231.10080	2.4
233.11533	35.7
234.11943	2.8
249.10992	5.1
251.12953	10.3
269.08011	1.6
293.21280	1.3
311.22336	2.3
329.23309	90.3
330.23578	9.7
331.93066	1.1
351.21500	34.1
352.22028	2.8
387.19147	100.0
388.19348	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80356	0.7
57.03327	1.6
58.00465	2.2
59.01249	100.0
60.01574	1.4
69.03326	0.9
70.91507	1.6
70.91882	1.3
71.01251	29.4
72.99174	1.8
73.02818	3.9
74.98985	1.8
79.95593	0.8
83.01263	2.1
83.97515	0.7
85.02818	8.2
87.00753	1.7
89.02312	21.7
93.03319	1.0
95.01259	2.9
96.95902	11.3
99.00767	1.4
101.02324	19.1
113.02325	11.1
119.03384	8.4
120.99551	6.9
131.03368	1.0
132.30667	0.7
136.99071	1.9
140.88725	0.8
143.03409	1.1
147.08154	0.8
149.04494	0.8
151.03931	0.9
159.02881	0.9
161.04445	4.3
163.11188	17.4
163.58861	0.7
164.11543	1.5
167.49901	0.8
179.05478	1.1
191.05560	3.6
207.10236	4.2
225.14996	1.1
265.66641	0.7
307.48343	0.8
369.15503	0.9
387.16583	73.0
388.16891	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.54255	0.9
55.01754	1.7
57.03308	2.1
58.00451	3.0
59.01246	100.0
60.01580	1.3
69.03303	1.2
69.44146	2.5
69.44570	5.4
71.01249	53.8
72.99168	4.1
73.02814	36.9
74.98960	12.2
75.00717	1.3
79.95607	1.0
81.03341	1.2
83.01250	11.4
83.04881	1.7
85.02815	13.1
87.00735	5.8
89.01807	1.7
89.02311	20.2
90.56312	1.0
95.01271	3.2
96.95889	9.6
97.02839	1.0
98.20570	1.8
99.00730	3.4
101.02318	43.4
107.04893	1.6
113.02328	17.9
113.05962	3.7
119.03397	7.7
120.99511	3.1
121.09270	2.0
121.10111	36.3
122.10434	2.3
123.04371	2.0
123.50072	0.9
124.59073	0.9
125.02308	1.6
131.03362	2.9
133.02835	4.4
135.04352	1.1
136.99017	10.5
137.02260	0.9
143.03366	2.2
147.04358	2.3
149.04402	1.6
151.03902	2.4
161.04453	8.2
161.05699	1.7
163.11194	5.5
165.05423	1.5
165.09125	5.9
169.08459	1.0
175.03925	6.4
179.05511	1.4
181.04947	3.6
181.12271	9.1
183.10222	6.6
186.20740	1.0
187.03934	1.4
193.04962	2.5
207.10176	1.1
207.13776	2.0
225.11238	6.4
237.13098	1.6
239.54939	1.0
251.11081	1.8
252.11409	1.0
253.10457	7.9
299.11472	1.1
311.10248	1.6
327.14441	8.1
345.15509	6.1
387.12195	1.9
387.16867	19.4
388.16934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00457	0.8
59.01254	100.0
60.01583	1.0
71.01256	20.1
71.07268	1.5
72.03326	0.6
72.99199	1.9
73.02816	1.1
83.01260	1.1
85.02819	4.6
89.02319	19.2
95.01295	1.7
96.95895	2.3
101.02328	13.3
101.03004	0.9
113.02334	7.8
119.03398	5.7
160.14218	0.6
163.11195	6.1
165.98740	0.6
189.77840	0.6
207.10202	11.2
208.10556	1.0
254.90268	0.7
387.16599	71.0
388.16885	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	387.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20944	0.8
56.97901	1.1
57.03314	1.1
58.00450	1.1
59.01249	26.5
60.97395	1.6
61.30302	0.8
69.75562	2.7
69.75972	1.7
71.01250	19.8
72.99172	1.0
73.02816	3.2
73.98183	4.2
74.90627	0.8
74.98965	100.0
75.99313	1.5
79.95613	2.5
83.01245	2.0
85.02815	5.0
87.00739	2.7
87.69866	0.8
89.02319	14.8
89.97672	0.9
96.95881	32.2
98.20544	1.2
99.00780	1.0
101.02325	14.0
113.02328	7.1
119.03364	6.8
120.99573	1.6
122.37931	0.9
130.08595	1.5
136.99036	91.6
137.02371	2.2
137.99403	1.0
153.01801	0.8
153.09200	1.1
161.04437	4.4
179.05547	1.3
191.05566	0.9
207.13573	1.0
225.14963	2.2
228.75403	0.8
237.13129	22.0
238.13484	1.8
299.13232	1.2
301.23343	0.8
325.14691	1.1
345.15500	1.0
357.21552	1.2
387.03784	2.4
387.15054	13.1
387.20508	3.4
388.15387	1.2
411.30344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1483
Annotation	Cetirizine
Peak:m/z	Relative Intensity
51.49742	0.5
57.03319	0.9
57.76275	0.6
59.01255	7.8
59.57662	0.5
64.44133	0.5
69.03326	0.6
71.01239	2.8
71.58569	0.9
73.02828	2.2
78.19033	0.6
78.97549	0.5
85.02834	1.0
87.00786	0.8
87.12534	0.5
88.90181	0.5
89.02334	1.6
96.95889	2.6
101.02295	1.2
102.98441	0.6
111.08059	0.5
120.99541	100.0
121.99858	1.6
124.34991	0.6
136.78291	0.5
181.12325	0.9
211.95998	0.6
221.15428	3.1
225.11237	1.6
281.12219	0.7
299.13251	10.7
300.13824	1.1
349.67447	0.8
351.83844	0.7
387.14804	50.1
388.15234	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	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
59.01251	43.4
59.01528	1.7
67.01735	1.0
69.03256	0.8
69.59010	5.3
71.01250	7.2
72.99130	1.2
85.02792	3.4
87.00727	1.0
89.02332	5.8
93.03324	1.7
96.95890	12.4
101.02325	4.5
113.02282	2.8
118.03173	0.8
119.03344	3.0
123.04378	1.6
134.03619	1.4
137.02354	1.9
138.03146	1.9
138.41409	0.8
139.00249	1.3
149.05965	2.4
150.03088	1.3
151.03954	9.9
153.05478	1.7
154.02582	2.6
161.04462	0.8
163.11194	10.6
164.04594	1.2
165.01840	3.7
165.05484	16.3
166.06306	3.8
167.08347	0.8
180.35353	0.8
181.05045	4.0
181.08612	2.3
191.05553	6.7
207.10213	1.4
225.07642	100.0
226.08006	6.2
243.77119	0.8
247.11046	0.7
254.07634	1.0
302.34171	0.9
387.03806	1.2
387.12448	1.6
387.16748	27.9
387.21307	1.5
388.17035	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	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.05339	1.4
58.00462	1.6
59.01247	46.7
63.56152	1.0
69.49025	3.5
69.49445	7.1
71.01250	27.2
72.99180	3.7
74.97005	1.2
74.98965	3.1
79.95626	1.4
80.74776	1.2
85.02835	5.2
87.00729	1.2
89.02308	24.6
90.19495	1.2
94.81507	1.2
95.01280	2.2
96.95879	26.3
101.02315	19.4
113.02329	9.4
119.03367	11.6
120.99561	1.7
131.03386	1.3
136.98994	3.9
149.02319	3.7
151.03918	1.7
163.11189	5.1
165.05490	3.1
177.01831	32.7
178.02367	1.9
192.04198	56.4
193.04642	3.3
207.06552	100.0
208.06921	4.4
225.07607	19.9
229.83328	1.4
253.83836	1.2
254.07771	1.8
384.12860	1.3
387.16843	14.5
388.16690	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	386.1973
Annotation	Tirandamycin C
Peak:m/z	Relative Intensity
59.01254	2.1
68.62242	0.3
69.95443	1.0
69.95857	0.5
70.02849	2.9
71.01244	0.4
76.21970	0.2
79.98934	0.3
86.02351	0.5
96.00785	29.6
97.01096	0.7
97.90337	0.3
98.02354	15.0
98.20435	0.4
99.02698	0.3
104.30931	0.3
107.04900	0.7
114.01852	3.2
123.04397	1.8
124.00291	23.7
124.03905	2.0
125.01096	9.7
126.01842	0.5
139.99794	0.7
147.08095	0.3
149.06015	0.3
150.01828	1.4
150.05504	5.6
151.03911	0.6
151.99831	0.9
162.83746	0.4
165.44307	0.3
166.05022	3.5
168.06554	1.1
175.11224	4.3
176.03465	0.2
176.11472	0.3
189.09160	0.9
189.12749	3.6
190.13173	0.4
191.14337	57.3
192.14680	3.9
193.40245	0.3
194.04512	13.3
195.04979	0.3
223.13309	0.4
229.15886	1.1
255.17485	1.3
273.14960	4.3
281.19016	0.6
299.16599	2.3
315.14746	12.8
316.15454	6.0
317.12277	0.3
317.15988	0.7
325.17999	4.0
342.17081	1.4
343.19116	5.0
344.19379	0.5
386.19705	100.0
387.20029	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	386.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55972	1.1
58.02845	2.4
59.01250	5.0
62.12638	1.2
66.03375	1.8
66.42730	1.4
71.01257	2.2
71.04903	1.6
71.17847	2.0
71.18187	2.9
72.08659	1.1
73.02843	1.1
77.66085	1.4
86.23846	1.4
99.08047	5.2
101.02353	1.3
110.61901	1.4
112.03876	1.3
113.09645	1.3
125.09606	4.0
127.11193	3.2
129.09120	5.7
145.60544	1.3
152.21710	1.3
155.10669	2.9
163.91824	1.2
165.12769	2.3
166.79967	1.3
171.10159	22.2
172.10477	1.6
178.96700	1.4
182.11768	3.5
183.13870	3.5
193.26735	1.4
197.11682	2.4
201.11237	14.4
208.13414	2.3
209.11768	4.7
211.11436	2.5
211.13329	25.4
212.12881	11.2
213.11258	2.7
220.13480	2.1
221.11504	1.7
226.14372	6.6
227.12836	2.3
229.14397	12.3
233.11516	16.2
238.10738	1.6
238.14442	1.6
249.11021	2.1
251.12595	4.8
256.15518	5.0
265.89258	1.3
270.38474	1.2
284.99097	1.5
307.19217	1.5
327.21790	2.8
329.23297	36.0
351.21475	10.7
386.25461	100.0
387.19180	35.7
387.25650	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2749
Annotation	Viminadione A
Peak:m/z	Relative Intensity
52.58063	2.0
57.60150	1.9
70.81989	3.9
86.89118	2.1
91.25750	2.5
100.31136	2.4
117.03336	36.9
119.04893	13.3
121.02835	9.2
123.04427	4.5
124.08710	2.2
145.02855	60.8
146.03177	2.9
162.03220	2.4
163.03905	4.8
226.44495	2.5
248.43362	2.4
250.62451	2.1
295.64142	2.3
385.27463	100.0
386.27792	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	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01251	5.2
63.07899	0.4
70.34357	2.0
71.01239	1.8
75.02139	0.4
85.02792	0.6
85.12592	0.4
89.02300	2.1
89.98620	0.5
91.03868	2.4
96.95893	0.7
98.20499	0.7
121.02843	1.5
122.03600	1.4
125.02295	0.9
126.03036	0.5
128.83142	0.5
136.05154	0.5
144.50624	0.4
167.14325	3.5
168.34027	0.5
193.15858	1.3
207.17438	1.5
209.11465	0.5
223.20641	2.2
231.17574	0.6
233.15273	0.5
234.16060	0.5
249.18559	7.8
267.19632	100.0
268.19968	8.3
275.16489	12.5
276.16876	0.8
293.17581	66.4
294.17969	5.3
311.18622	13.7
312.18768	0.8
342.14050	0.6
367.21161	7.9
385.22299	56.7
386.22678	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
61.56872	0.6
69.43832	5.6
71.01241	1.8
78.70726	0.5
85.02808	1.0
89.02303	1.3
91.03857	1.6
101.02355	0.6
113.09599	1.2
115.07523	1.0
121.02809	3.6
131.08170	1.2
151.90994	0.7
153.09093	1.2
167.14325	2.8
171.10130	0.7
173.09274	0.6
183.13824	2.5
195.13826	10.7
211.13306	1.2
213.14857	1.5
227.16701	0.8
242.15077	1.2
245.02589	4.0
247.30121	0.8
249.22144	1.0
275.20029	0.8
285.05783	3.6
293.21265	11.2
294.21518	0.9
311.22253	100.0
312.22595	9.7
313.44131	0.7
325.13309	4.1
385.08362	0.6
385.14655	3.0
385.25845	1.2
385.30405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71526	0.8
52.92658	0.8
55.01764	1.9
57.03324	4.5
58.00466	3.8
59.01247	100.0
60.01574	1.0
69.03337	1.6
71.01250	95.6
71.57891	1.1
72.01584	1.5
72.99165	5.4
73.02813	22.0
74.98976	2.3
75.00742	1.4
83.01257	8.5
83.04904	1.5
85.02824	24.3
87.00758	4.5
89.02313	66.9
89.80360	0.8
90.02662	1.6
94.06478	0.8
95.01266	6.8
95.04884	2.6
96.95878	4.3
97.02811	6.0
99.00745	5.6
101.02319	57.7
102.02685	1.2
105.06965	1.0
107.04906	1.8
108.05699	2.5
109.02833	0.9
109.06486	1.6
113.02325	37.5
113.05994	2.5
114.02641	1.2
119.03387	27.2
120.03809	0.8
120.99529	3.3
121.06478	1.1
122.03583	1.0
123.08048	4.1
125.02320	2.8
125.05971	1.9
131.03400	3.0
135.04388	1.6
136.05211	2.4
136.99049	1.8
137.02409	0.8
138.06766	13.9
139.07547	8.5
143.03407	6.6
145.01405	1.1
145.06169	0.9
149.04510	1.4
149.05972	1.1
151.07549	17.0
152.04686	1.8
152.08334	30.0
153.09114	72.0
154.09442	3.6
159.02911	4.3
161.04460	16.9
161.09471	0.9
163.11195	7.1
165.05415	0.9
165.09085	2.6
167.07022	1.1
179.05542	7.0
181.04970	1.2
181.08615	3.4
187.11273	1.7
189.09082	0.9
190.09834	1.4
191.05588	1.5
205.12276	31.2
206.12654	1.8
223.13335	15.9
224.13669	0.9
239.90440	0.8
385.14450	1.4
385.18665	16.7
386.19022	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.4
57.03328	15.4
58.00467	4.1
58.93329	0.6
59.01252	100.0
60.01571	1.4
69.03301	0.9
71.01255	79.9
71.04891	0.9
71.56628	0.7
72.01595	1.6
72.99186	7.1
73.02826	6.6
74.98981	2.8
75.00764	0.9
78.59863	0.7
83.01247	4.2
83.04912	2.6
85.02816	17.1
85.99950	0.9
87.00755	8.9
89.02317	85.5
90.02655	1.6
95.01271	5.2
95.04916	0.6
96.95901	3.5
97.02863	1.6
99.00780	3.3
99.04401	6.2
101.02324	54.9
102.02676	0.8
109.02873	0.7
111.00739	0.7
113.02330	30.2
113.05932	1.8
114.02753	0.9
119.03395	39.3
120.99556	7.0
121.02840	1.1
122.99169	1.9
123.08070	2.2
125.02390	1.5
131.03397	4.4
133.01387	0.8
135.04402	1.4
135.08072	0.9
136.99112	1.4
137.02348	1.1
137.09590	4.2
139.00270	0.7
143.03432	5.1
149.04460	4.1
149.05966	0.7
153.09102	3.5
159.02963	1.1
161.04459	7.3
163.11247	1.6
165.09126	83.0
166.06252	4.6
166.09439	4.4
171.08096	1.4
175.07559	1.5
179.05550	7.3
181.05054	0.9
181.08635	4.1
187.11192	10.2
188.11549	1.1
189.09145	0.8
205.12274	8.4
223.13368	6.2
255.28320	0.9
295.15524	1.6
325.12933	9.7
326.13251	0.8
343.13931	7.3
344.14520	0.9
385.14148	1.3
385.18628	9.7
386.19138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
55.01758	2.0
57.03314	2.2
58.00471	3.4
59.01248	44.7
61.98046	0.5
69.03314	0.6
69.57584	2.4
69.58012	1.4
71.01250	68.6
72.01583	0.7
72.99173	3.2
73.02814	13.4
74.98970	2.0
76.76415	0.5
80.01947	0.5
81.03371	0.7
81.53516	0.5
83.01254	4.5
83.04899	1.3
85.02819	22.0
87.00761	2.7
87.85822	0.5
89.02315	33.9
89.61660	0.5
90.02624	0.5
95.01259	4.8
95.04917	2.4
96.95907	1.0
97.02826	6.5
99.00753	5.9
101.02319	32.9
105.07015	0.8
107.04922	1.0
108.05672	3.1
108.11552	0.5
109.02840	0.8
109.06459	1.5
111.04393	1.4
111.89220	0.6
113.02327	28.7
113.05939	4.2
119.03387	11.9
120.99554	1.5
121.06479	0.9
122.03604	1.4
123.08050	4.8
125.02348	1.4
125.05962	2.4
131.03392	1.4
135.08081	1.3
136.05180	3.4
136.99034	1.8
137.05989	1.7
138.05692	1.1
138.06761	19.5
139.07567	11.3
140.07819	0.5
143.03427	3.0
149.04437	1.3
149.05898	0.6
151.07549	25.6
152.04726	3.2
152.08328	46.9
153.09113	100.0
154.09439	4.4
159.02872	4.7
161.04454	17.6
163.11191	2.6
165.09117	2.9
167.07069	2.6
179.05516	3.0
181.04918	0.6
187.11288	0.8
189.09137	1.2
190.09839	1.1
191.05553	0.7
205.03482	1.0
205.12273	33.9
206.12637	2.1
209.85735	0.5
223.13326	16.0
224.13692	1.1
370.08939	0.9
385.18649	6.1
386.19202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.2
57.03326	12.1
58.00471	4.3
59.01249	100.0
60.01597	1.1
65.55496	0.7
68.99701	1.1
71.01251	85.6
71.04895	0.8
71.58240	1.3
72.01582	1.0
72.99192	6.8
73.02822	8.9
74.98965	1.4
75.00747	1.0
76.18061	0.7
79.95621	1.1
83.01254	5.4
83.04890	3.5
84.02061	1.0
85.02818	21.3
85.99938	1.1
87.00745	16.6
89.00528	1.9
89.02314	82.6
90.12328	0.7
93.03332	0.7
95.01257	5.7
95.04915	3.8
96.95880	9.6
97.02849	1.2
97.06464	5.9
98.03619	0.8
98.95486	0.8
99.00756	3.7
99.04396	4.9
101.02322	55.1
102.02669	1.3
109.02818	2.3
111.07997	0.8
113.02335	32.2
113.05977	1.7
114.02663	1.0
115.02087	1.1
119.03384	39.1
120.99516	1.3
123.08048	2.1
125.02355	0.7
130.13719	0.7
130.86560	0.8
131.03394	3.5
132.19975	0.7
135.04366	1.7
135.08072	1.3
137.05975	3.2
137.09605	5.7
143.03397	5.4
143.05232	2.7
149.04407	3.0
149.05931	1.2
151.07597	1.0
153.03682	2.0
153.09108	5.8
159.02875	2.1
161.04463	11.4
161.09666	1.7
163.07631	1.0
163.11182	1.8
165.09120	67.6
166.06311	0.8
166.09442	3.5
171.04764	3.5
175.07570	3.4
177.12788	1.4
179.05502	6.2
179.10680	3.3
181.04985	1.0
181.08582	3.2
183.86369	0.8
187.11229	12.1
190.10025	1.4
193.12228	0.8
205.12285	19.0
206.12642	1.3
223.13347	16.9
251.11180	3.8
262.33109	0.8
269.12140	4.7
278.73166	0.8
279.10623	0.8
297.08365	1.3
297.11667	19.1
298.12103	1.9
341.16202	0.8
370.51300	0.7
385.13242	17.9
385.18661	13.2
385.22766	1.2
386.13736	1.5
386.18970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1761
Annotation	Isoconcinndiol
Peak:m/z	Relative Intensity
53.44742	1.2
54.06105	1.4
57.03312	1.8
59.01252	7.8
64.91569	1.3
71.01239	4.0
71.04897	1.6
75.00749	1.4
83.04902	1.6
85.02838	7.5
89.02251	1.9
92.92776	3.9
96.95895	6.8
97.06459	8.4
101.44353	1.4
110.21828	1.2
113.02258	1.7
125.09598	2.3
126.05468	2.6
126.50761	1.4
127.11176	3.1
132.47874	1.4
137.09570	1.8
165.12708	6.9
171.10194	16.2
177.12746	1.6
183.13820	5.1
185.11824	3.1
193.08385	4.4
193.12202	2.0
201.11206	1.4
207.09940	5.3
209.11794	4.3
211.13336	36.5
211.15375	2.4
212.13594	2.1
219.09982	1.4
221.11784	7.1
229.14420	24.0
230.14639	1.7
231.09885	3.4
233.11555	33.5
234.11913	2.5
239.12917	3.4
240.13046	2.3
249.11122	3.0
251.12920	10.2
257.13828	1.2
261.11127	9.0
291.19489	3.3
313.17700	2.5
327.21750	88.4
328.22168	8.9
331.18640	4.1
342.22882	3.8
349.19910	40.8
350.20367	5.3
385.17490	100.0
385.24091	21.2
386.17767	8.7
386.21161	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61599	0.8
55.01752	2.6
57.03320	6.1
58.00448	2.4
59.01249	100.0
60.01558	1.4
69.03307	1.6
69.35979	6.6
71.01254	38.8
72.99166	3.6
73.02818	8.6
74.98967	4.0
81.03291	0.8
83.01249	6.1
83.04887	1.3
83.79875	0.7
85.02818	16.4
85.99957	1.5
87.00739	4.4
89.02312	26.0
90.98409	0.8
95.01260	4.3
96.95878	8.7
97.02846	1.7
98.20485	1.9
99.00738	4.7
99.04387	1.3
101.01685	1.6
101.02319	24.1
104.84431	0.8
108.02019	1.0
112.01528	2.0
113.02330	16.7
114.02660	0.8
119.03379	12.9
120.99533	6.6
121.02804	5.5
122.03589	3.3
122.99093	3.0
124.01540	0.9
131.03436	0.8
133.03987	0.8
135.04428	4.6
136.99017	2.8
137.02350	1.7
137.09697	1.0
142.02592	0.8
143.03380	1.8
147.04323	1.2
148.05121	1.6
149.04344	1.1
149.05949	2.7
154.02629	1.2
157.77052	0.9
159.02911	1.0
161.04474	4.6
163.03922	1.3
165.09116	19.4
166.06273	21.7
167.06924	2.9
179.05583	0.9
181.08614	48.7
182.08945	2.3
187.11131	3.1
191.05493	1.0
195.06511	1.7
204.45433	0.8
205.12302	2.4
209.08134	0.9
223.09734	1.8
223.13261	1.7
243.14636	0.8
277.10745	1.1
295.11905	1.7
310.10547	2.9
325.12903	64.2
326.13297	5.9
341.45639	1.1
343.13953	43.8
344.14291	3.4
385.11255	0.9
385.18616	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90380	0.4
59.01249	100.0
60.01587	0.6
70.92368	0.9
71.01253	1.2
73.02819	1.0
73.98197	1.8
83.45638	0.4
87.00746	3.8
89.02338	0.7
96.95882	0.5
101.02307	0.5
122.97946	0.4
142.61827	0.4
158.91196	0.5
167.41779	0.5
195.08363	0.5
223.11552	0.8
230.33130	0.4
241.12762	0.5
251.11078	21.7
252.11383	1.8
267.68552	0.4
269.12122	4.6
297.11575	6.6
297.14505	0.6
324.18344	0.4
385.13232	10.4
386.13712	1.2
391.59210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01590	1.0
60.81845	0.4
69.03334	1.1
69.25459	4.6
71.01247	2.4
73.02823	1.7
74.98970	2.7
75.39276	0.4
76.94124	0.4
76.98549	0.9
83.01273	0.5
83.04921	0.4
83.72883	0.4
85.02814	0.8
87.00766	0.8
89.02312	1.3
96.95880	3.2
98.20579	0.8
99.00755	0.6
101.02299	2.1
113.02336	0.9
120.99569	1.7
136.99051	2.2
138.98618	0.5
141.01628	1.1
161.04535	0.4
171.91978	0.4
179.10631	0.4
182.04506	0.7
185.00893	0.8
191.63925	0.4
205.12386	0.4
223.13405	1.0
250.24139	0.4
385.18744	1.7
399.09277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49967	0.4
59.01251	100.0
60.01577	1.1
69.91447	0.4
70.17847	2.4
71.01261	2.2
72.99196	0.5
73.02819	1.0
74.98997	0.9
77.50946	0.4
83.05705	0.5
83.18967	0.4
83.94945	0.4
85.02824	1.3
85.56721	0.4
86.96834	0.4
87.00751	3.2
88.86764	0.4
89.02324	1.0
96.95889	6.0
98.03617	3.0
98.95464	0.7
101.02325	1.8
113.02353	1.2
119.03347	0.7
120.99540	4.8
136.99088	0.6
155.05237	0.6
161.04482	0.7
171.08629	0.5
193.06911	0.8
205.12352	0.5
217.12201	0.9
222.08607	0.4
223.13513	0.6
227.29323	0.5
251.11115	1.0
259.83435	0.4
269.12201	0.8
297.11633	5.0
297.85709	0.4
385.13245	6.8
385.18411	1.2
386.13470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58825	0.3
57.03326	0.4
58.03212	0.3
59.01247	100.0
60.01578	1.1
69.03342	0.6
71.01248	3.1
71.57664	0.3
71.58115	0.5
72.97395	0.7
72.99206	0.5
73.02814	1.4
73.98181	4.2
74.98983	0.9
80.96418	0.3
84.99001	0.3
85.02822	0.8
87.00748	13.2
89.00547	0.9
89.02300	1.7
96.95895	1.0
101.02303	1.6
102.98470	0.5
107.04887	0.5
113.02300	1.4
119.03400	0.8
120.99525	0.9
121.06516	0.5
123.08062	0.7
134.03615	0.3
137.09639	0.5
149.09622	0.7
155.05252	0.6
161.04425	0.5
165.09064	0.6
167.08878	1.3
179.10704	0.7
183.08377	0.4
195.08438	0.7
199.72537	0.3
200.83763	0.3
205.10497	1.0
205.12257	0.6
217.12323	1.1
221.10010	0.6
223.09660	0.6
223.11560	3.1
223.13388	0.6
233.10106	0.5
241.12576	2.0
251.11058	65.9
252.11398	4.6
258.60333	0.3
269.12137	14.8
270.12515	1.1
287.51187	0.3
297.11630	25.2
298.11832	1.9
357.13696	1.0
385.13232	40.6
386.13513	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	384.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33696	1.4
59.01250	100.0
68.58722	1.5
70.57339	3.3
84.52802	1.3
88.27089	1.4
95.95271	1.4
95.97603	1.5
100.54294	1.3
103.11324	1.4
109.49346	1.4
116.96362	2.0
218.19672	1.6
385.16772	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	385.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
63.91957	0.3
71.01244	1.0
71.58582	0.6
72.97407	1.0
73.98185	5.7
74.98958	0.8
85.02818	0.4
87.00747	20.1
89.00533	1.3
96.95866	0.7
101.02323	0.6
102.98445	0.5
120.99557	0.7
121.06484	0.8
123.08044	0.7
135.07991	0.5
135.11642	0.5
137.62906	0.4
141.03702	0.4
149.09587	0.5
155.05231	1.3
159.90347	0.3
167.08952	1.6
176.01094	1.0
177.01750	0.5
179.10664	2.1
183.08311	0.6
186.31697	0.5
189.12755	0.6
195.08423	1.2
205.10451	1.1
217.12320	2.3
220.51578	0.4
221.10007	0.8
223.09702	0.5
223.11569	3.4
233.09969	0.7
235.11497	0.5
239.11029	0.6
241.12605	3.1
245.12006	0.7
251.11070	100.0
252.11368	6.9
269.12146	20.4
270.12421	1.6
279.10559	1.0
297.11627	33.2
298.12036	2.6
339.12781	0.5
357.13721	1.4
385.13235	47.8
386.13556	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	383.1527
Annotation	CP-Dpm-GA
Peak:m/z	Relative Intensity
59.01251	31.6
64.88004	0.7
69.53529	3.2
69.53950	2.3
71.01236	2.5
75.00735	2.2
78.95771	0.7
84.12119	0.7
87.00729	0.8
87.92381	0.9
89.02296	2.0
98.19788	1.5
99.68980	0.9
100.82091	0.8
101.02310	2.0
101.20527	0.8
103.91891	3.4
107.15628	0.7
113.02296	1.6
116.96339	3.6
119.03428	0.9
135.61417	0.8
143.03296	0.7
145.89014	0.8
161.04402	0.8
179.05363	0.7
195.01118	0.9
197.92865	0.7
267.19641	31.4
268.19864	2.5
311.18057	3.1
321.11505	1.2
323.09839	1.1
323.13159	4.9
337.14700	7.9
339.12302	1.6
339.16254	20.1
340.16489	1.0
341.10660	1.4
353.09875	1.6
356.12750	1.1
360.71115	0.9
371.15103	1.1
381.13458	2.2
383.10852	7.8
383.15237	100.0
384.10815	1.3
384.15540	10.3
397.69327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05965	0.5
54.56560	0.6
55.13994	0.7
55.51030	0.5
59.01246	3.4
59.01498	0.5
67.44897	0.5
70.54050	1.9
71.01266	2.1
73.02819	0.6
85.02862	0.7
87.00756	1.3
87.61663	0.6
89.02290	0.8
93.03343	2.6
96.95911	4.4
101.02317	1.2
113.02347	0.9
120.99545	100.0
121.99885	1.6
136.60081	0.5
137.02338	5.5
146.38380	0.5
161.04474	0.6
217.12306	1.3
260.65451	0.6
261.11322	1.7
264.84253	0.6
295.10071	1.2
341.11188	1.2
383.11664	25.8
384.11987	3.0
403.32138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.5
59.47886	0.2
63.98647	0.2
69.03308	0.2
69.65383	1.7
70.64082	0.2
71.01254	0.5
73.02831	0.3
83.01257	0.3
83.04898	0.3
85.02804	0.3
87.00771	0.6
91.45980	0.2
95.01286	0.3
96.95893	2.2
98.95483	0.5
100.77637	0.2
107.01279	0.4
111.04400	1.4
113.02342	0.3
118.01457	0.2
120.99545	100.0
121.99904	1.6
135.04404	0.3
151.00319	1.3
154.62320	0.2
169.01303	0.3
173.13300	0.7
175.07523	0.2
177.01822	0.2
199.11169	0.3
217.12276	4.4
218.12689	0.5
261.11328	4.8
262.11694	0.3
295.10202	0.8
352.10120	0.3
383.11676	15.9
384.12027	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	383.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62450	1.1
57.52649	1.0
59.01252	13.0
60.97389	2.0
65.03836	1.2
69.03327	2.3
71.01253	3.2
71.58530	1.3
72.97379	1.4
72.99135	1.4
73.02805	2.0
73.98186	2.6
74.98969	1.5
78.30827	1.1
79.05392	3.0
81.03284	1.4
83.04887	5.7
85.02814	2.0
87.00751	42.3
89.00526	5.1
89.02328	2.3
96.95902	7.3
97.02822	2.7
101.02288	1.7
105.81533	1.0
107.04909	53.3
108.05222	1.8
109.06417	1.6
113.00531	1.4
113.02382	2.3
113.04192	10.8
114.81552	1.1
120.99541	6.2
121.06493	1.2
123.04334	1.8
125.02314	1.2
125.06017	1.5
131.01604	1.2
135.04399	2.0
135.08031	3.5
141.03700	61.4
142.04030	2.1
147.08084	4.6
149.06036	1.7
159.04764	10.5
161.04399	1.3
162.95760	1.3
197.09695	1.7
199.11241	3.5
203.10815	1.1
215.10704	3.7
217.12250	1.6
231.08473	3.4
243.10262	5.3
249.09459	6.6
267.10629	2.2
277.09045	3.4
295.10086	94.5
296.10327	7.5
316.71823	1.3
383.11673	100.0
384.12003	11.2
397.98358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28841	0.4
59.01247	1.5
60.80441	0.5
60.97400	1.6
70.43935	1.8
73.86771	0.5
73.98176	4.6
74.98965	100.0
75.99299	0.6
83.97296	0.4
87.00757	0.6
93.06538	0.5
96.95887	23.0
97.88526	0.4
98.20436	0.6
98.95470	3.2
98.96231	0.7
100.17385	0.4
120.99535	12.0
128.21846	0.4
136.99033	71.0
137.99350	1.1
242.40184	0.5
282.05566	0.5
294.05154	0.6
322.05020	0.6
325.71539	0.6
337.07114	1.5
352.09448	0.9
353.06482	1.5
368.08957	0.7
383.06265	0.6
383.11407	1.8
383.18863	1.7
384.07480	1.0
396.94995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.31774	0.3
59.01253	3.7
64.70028	0.3
68.99690	1.1
70.15980	0.4
70.16322	1.7
71.01255	1.4
81.86566	0.3
83.01261	0.4
85.02818	0.4
89.02321	1.1
101.02302	1.0
113.02354	1.0
119.04968	0.4
121.02839	100.0
122.03177	3.2
128.39020	0.4
128.87737	0.4
130.61147	0.3
132.56819	0.3
145.02859	1.0
147.04417	3.0
149.02338	1.5
163.03850	0.5
173.02388	0.8
179.05446	0.4
180.05682	0.8
181.06523	4.0
191.03401	7.7
199.67729	0.4
209.04518	0.6
217.04979	0.6
223.07549	0.8
225.05508	7.6
226.05881	0.6
251.07103	3.1
252.07556	0.4
285.05649	0.6
295.06082	10.8
296.06296	0.7
311.09247	14.4
311.12842	0.8
312.09589	1.4
313.07153	18.6
314.07611	1.8
323.09833	0.9
339.08691	15.9
340.08875	1.1
383.07675	22.0
384.08047	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44804	1.2
54.77581	1.1
59.01248	100.0
60.01560	1.5
71.01246	2.9
87.73688	1.2
89.02316	1.8
95.56598	1.2
101.02331	2.1
113.02332	1.7
133.97163	1.3
165.28169	1.2
189.75136	1.4
226.85645	1.2
256.70135	1.1
267.03992	1.3
325.18713	1.4
341.10486	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	383.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58318	0.8
59.01247	7.4
62.78537	0.9
70.26143	3.1
71.01244	1.8
79.95599	3.2
82.14901	0.8
85.02860	1.1
87.00748	3.1
89.02345	1.0
96.78606	0.8
96.95892	100.0
101.02309	2.1
107.01263	1.6
107.04903	3.0
113.02377	1.6
125.02372	1.5
133.02859	2.2
135.04442	1.1
141.03725	3.8
151.00262	1.5
159.04633	0.9
167.31543	0.9
167.99693	0.9
179.03351	1.2
188.98624	1.6
285.04016	8.1
295.10114	5.5
301.03528	1.0
340.99811	14.7
341.11340	0.9
342.00061	1.2
355.98502	26.8
356.98792	2.1
383.00879	44.8
383.05661	2.3
383.12061	4.5
384.01443	2.8
384.98798	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	382.1328
Annotation	AMG-208
Peak:m/z	Relative Intensity
59.01254	8.6
60.43242	0.8
67.89864	0.7
69.28294	1.2
69.28701	6.8
71.01263	2.0
78.95767	1.4
83.04881	1.6
85.02818	1.2
96.95900	2.4
97.02824	1.0
101.02316	1.2
101.63084	0.7
111.04408	5.7
113.02330	1.2
120.01138	100.0
120.99535	0.9
121.01479	1.6
125.93931	0.7
158.38611	0.7
163.07579	1.2
173.13251	6.0
196.82935	0.7
199.11200	2.0
203.10771	1.2
205.12193	0.9
207.12016	2.3
217.12280	27.6
218.12630	1.0
251.11107	3.5
261.11304	33.7
262.11523	3.7
276.10815	0.9
295.10147	4.1
320.13205	1.2
382.13278	43.8
383.13602	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	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	19.8
69.50513	6.4
69.50935	16.4
71.01260	11.2
75.00748	20.1
87.00739	18.9
89.02315	6.0
89.24397	2.7
94.49065	3.2
96.95882	18.0
98.95501	3.5
101.02322	4.5
113.02348	5.0
115.05440	4.2
118.43755	3.2
130.06529	7.2
132.04443	30.4
158.06027	100.0
174.05592	3.6
177.01817	6.1
178.02104	4.5
202.05020	51.3
220.06172	9.1
237.06131	12.6
249.06224	10.1
276.90506	2.9
382.11398	73.6
383.11691	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	381.2646
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.01746	1.4
59.01253	9.9
71.58380	1.1
78.95766	1.9
80.57001	0.6
81.06964	5.4
85.06459	1.6
87.11530	0.6
93.03320	0.8
108.07838	0.6
110.39874	0.6
133.02829	0.8
135.11682	6.6
152.99451	5.1
153.12752	0.8
155.14391	1.2
163.11197	13.9
174.99109	3.5
179.10576	0.7
181.12247	5.1
199.13336	45.3
200.13663	3.0
202.02673	0.7
207.10132	1.4
217.00241	13.5
225.11322	1.3
277.18097	0.9
293.17871	1.0
295.19180	12.0
296.19339	1.0
319.51318	0.6
363.25919	0.9
367.07550	0.7
381.26450	100.0
382.26788	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	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94361	0.4
54.44839	0.5
59.01245	7.2
61.98719	0.5
68.48917	0.5
69.25304	5.6
71.01288	0.6
78.95773	4.7
98.20597	1.1
109.06530	0.7
110.54361	0.5
111.45907	0.5
137.06006	1.1
137.70383	0.5
138.06848	0.7
138.15773	0.6
146.21834	0.5
149.05986	1.1
151.07587	1.3
152.99496	8.4
164.08331	0.5
165.09154	0.9
170.05725	4.1
174.99199	2.4
192.11530	1.0
199.13403	0.8
217.00240	10.1
233.19069	0.8
235.20605	1.3
251.20041	2.8
277.18066	76.3
278.18442	7.0
279.16550	1.0
279.19623	23.0
280.19965	2.8
295.19110	100.0
296.16257	1.0
296.19424	9.0
306.17749	0.6
345.24109	1.0
363.25388	17.6
364.25665	1.6
369.66962	0.6
381.26437	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65353	0.8
58.02834	1.2
58.35631	0.7
59.01247	5.6
62.56786	0.9
70.08148	0.7
70.96435	1.5
70.96768	1.2
71.04893	1.2
74.50307	0.7
78.95776	1.4
93.92827	0.7
127.11156	1.0
152.99451	3.2
153.12714	2.8
163.11208	1.3
165.12775	3.0
166.46190	0.8
170.05768	2.9
174.99115	1.2
175.76968	0.7
179.10689	12.4
181.12254	35.3
182.12570	1.7
184.75745	0.8
195.10143	2.7
197.11679	1.7
199.13321	100.0
200.13644	5.5
208.62924	0.9
215.12733	3.6
217.00244	5.9
218.00610	0.8
225.44073	0.7
363.25464	4.2
381.26617	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	381.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05334	0.5
55.13873	0.5
67.47730	0.6
70.33753	1.9
79.95604	7.9
80.96423	1.0
94.97986	1.2
95.95104	2.0
96.95888	73.6
107.39532	0.5
122.97443	3.7
135.07875	0.5
135.96400	0.5
203.91516	0.5
290.13214	0.6
354.65961	0.5
366.25073	0.6
381.23138	100.0
382.23514	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67612	0.6
59.01248	8.3
64.89000	0.8
71.57707	0.9
78.38744	0.7
78.95773	0.7
96.59235	0.8
109.06431	0.7
110.31052	0.7
114.78399	0.6
132.36874	0.7
138.06770	0.7
143.18619	0.8
149.06023	0.8
151.07555	1.7
152.99489	1.3
170.05739	4.4
174.99179	2.1
192.11467	0.9
217.00256	9.7
231.67992	0.7
233.19072	1.7
235.20668	1.3
251.20169	2.7
277.18088	78.7
278.18475	7.0
279.19653	24.6
280.20084	3.2
286.03644	0.9
295.19141	100.0
296.19449	9.0
306.18185	1.2
363.25406	17.5
364.25861	2.7
381.26437	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	381.1917
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
57.03310	0.4
59.01248	1.1
69.03298	0.2
70.98259	0.4
71.01243	0.2
73.02803	0.3
74.00398	0.1
78.93165	0.1
78.95775	0.2
79.95607	0.4
87.00750	0.1
87.04383	0.2
95.04887	0.1
96.95881	5.6
98.95475	0.2
109.06445	0.2
118.97922	0.2
120.99545	0.2
132.11913	0.1
133.06499	0.2
151.07536	0.1
167.10649	0.1
189.12788	0.2
217.15875	0.5
225.16640	0.1
241.15874	0.2
245.19136	0.1
257.19257	0.3
259.17072	0.3
271.16943	0.2
289.18509	0.2
293.08246	0.3
301.18005	0.4
305.13760	0.1
319.19098	1.3
337.20209	4.3
338.20465	0.3
345.17099	0.2
363.18094	7.1
364.18500	0.8
381.19147	100.0
382.19489	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
66.31350	0.9
70.32663	2.1
70.33056	1.7
71.01263	1.8
75.00740	2.6
79.95596	1.8
80.96418	1.1
86.82472	1.1
87.00762	2.5
89.02309	1.4
96.95889	40.3
98.95463	5.9
98.96291	0.9
101.02284	1.6
113.02252	1.2
115.05417	1.6
116.04924	1.0
130.06555	1.4
132.04416	3.4
133.02859	1.5
135.39130	1.0
158.06038	14.3
161.17702	0.9
177.01843	8.3
202.05009	6.2
211.65616	0.9
213.69650	0.9
249.05917	1.9
337.03989	2.2
338.04129	1.7
369.60327	1.0
382.11420	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	381.174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55216	35.7
77.25961	4.5
96.95888	17.5
99.92467	58.5
104.89230	4.0
115.91940	40.4
116.92747	100.0
117.49888	6.6
121.39717	5.1
336.75534	5.5
381.17303	70.6
381.23169	22.6
382.17270	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29647	0.5
59.01250	100.0
60.01592	0.5
69.85959	1.8
69.86365	1.2
78.95769	0.5
96.95908	1.5
152.99489	0.6
214.55872	0.5
341.07770	0.5
366.83426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99400	0.8
59.01249	100.0
60.01568	1.3
71.01252	2.6
71.58244	1.2
72.99158	4.2
73.02815	2.5
75.00746	2.3
79.95588	0.9
85.02822	1.2
87.00701	1.0
89.02303	2.2
96.95873	3.7
101.02325	3.4
103.00278	1.1
113.02291	1.0
130.99739	2.5
133.78453	0.9
143.86867	0.9
161.04420	1.9
279.14453	3.8
308.68369	0.9
321.15607	2.0
381.17899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11383	0.6
51.39446	0.5
59.01238	3.0
60.85929	0.6
71.58637	1.1
86.76944	0.6
96.95861	3.3
101.54577	0.7
103.12985	0.6
106.62193	0.6
107.01241	0.6
111.97643	0.7
125.02322	0.7
134.03683	0.7
151.00220	2.1
166.78123	0.7
174.99152	0.6
217.00220	1.3
227.03354	1.2
253.68851	0.7
256.03766	32.5
257.04141	2.3
283.02649	0.7
284.03265	100.0
285.03595	6.9
299.05609	97.4
300.05951	8.2
324.01370	0.9
366.02097	0.9
381.05048	1.0
381.09741	3.4
381.14267	0.9
382.00174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.8
62.12398	0.3
67.65519	0.3
69.64793	2.1
74.05878	0.3
81.03332	0.8
89.03835	2.4
93.03334	0.3
96.95873	1.1
105.03341	3.9
108.87984	0.3
133.02846	8.5
134.03172	0.3
149.02309	0.9
176.01083	0.4
177.01842	100.0
178.02193	4.7
216.71112	0.3
254.37234	0.3
299.59918	0.3
381.08118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11104	0.2
59.01253	2.3
60.05348	0.2
61.98696	0.2
62.91199	0.2
68.66472	0.2
70.02312	1.0
79.95609	2.2
96.95888	100.0
98.20428	0.5
217.00153	0.4
220.99577	0.3
231.53557	0.2
287.16443	0.4
305.17624	1.2
366.65533	0.2
379.21564	38.0
380.21875	4.3
396.77231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35898	1.1
59.01253	22.0
66.74715	1.1
70.41718	1.1
87.24963	1.0
87.72691	0.9
98.19678	1.9
121.06716	1.0
141.12868	1.2
151.73973	1.1
155.10683	3.3
171.10178	4.8
194.41832	1.1
197.47784	1.1
229.97940	1.2
233.91226	1.2
279.23325	7.3
297.24353	100.0
298.24750	8.6
379.24615	23.3
380.25018	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21471	0.6
59.01248	100.0
60.01588	1.3
65.05414	0.7
66.33336	0.6
68.03883	0.7
70.60842	2.4
71.17651	0.6
75.41103	0.5
78.95765	1.1
81.83143	0.6
103.41661	0.7
114.41592	0.9
143.79645	0.7
152.99516	1.9
174.99146	1.1
217.00192	5.0
255.14896	0.7
277.89462	0.6
320.25714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48780	0.4
59.01248	100.0
59.58001	0.5
60.01579	0.9
66.20077	0.5
69.38552	1.8
69.38979	2.4
71.01234	0.5
72.99112	0.4
80.38019	0.5
89.02317	0.5
96.95905	0.9
97.26204	0.5
109.66164	0.5
114.32274	0.5
150.37840	0.5
193.09364	0.4
215.15578	0.6
216.08778	0.5
261.18661	1.6
277.16840	0.7
305.17648	0.8
379.17572	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	379.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19921	0.4
59.01247	1.0
59.72507	0.3
72.90311	0.3
75.57600	0.3
79.36827	0.4
93.03327	1.0
96.95872	3.2
98.20598	0.8
117.03355	1.2
118.93745	0.4
119.04907	100.0
120.05242	4.4
120.99498	0.4
134.03554	0.4
144.04475	0.8
145.02844	3.6
166.35696	0.4
178.02504	0.7
216.10194	4.4
230.33501	0.7
233.12880	1.6
247.78638	0.3
259.10843	36.7
260.11139	3.0
267.08966	0.5
379.16623	9.0
380.16974	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	379.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19921	0.4
59.01247	1.0
59.72507	0.3
72.90311	0.3
75.57600	0.3
79.36827	0.4
93.03327	1.0
96.95872	3.2
98.20598	0.8
117.03355	1.2
118.93745	0.4
119.04907	100.0
120.05242	4.4
120.99498	0.4
134.03554	0.4
144.04475	0.8
145.02844	3.6
166.35696	0.4
178.02504	0.7
216.10194	4.4
230.33501	0.7
233.12880	1.6
247.78638	0.3
259.10843	36.7
260.11139	3.0
267.08966	0.5
379.16623	9.0
380.16974	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.3
70.84457	1.0
71.01257	3.2
71.12963	3.0
73.02827	2.5
78.05251	1.1
83.01263	1.5
85.05319	1.1
87.00751	1.1
89.02314	1.3
96.95907	2.2
101.02337	4.9
135.04405	3.7
167.87987	1.2
220.74530	1.2
342.11273	1.1
379.15952	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.62100	1.4
58.00465	1.7
59.01252	73.3
60.69664	1.6
62.01362	1.4
70.45045	5.7
71.00884	2.9
71.01254	32.2
72.99173	3.0
73.02803	1.9
73.75750	1.4
83.01261	1.9
83.04903	5.0
85.02828	6.6
87.00737	1.8
88.48186	1.5
89.02322	26.1
96.95893	5.0
101.02328	20.5
112.38165	1.4
113.02318	11.0
119.03392	12.7
137.09598	8.1
149.04462	1.8
155.10692	31.4
155.11964	1.6
156.10991	2.1
161.04431	1.8
179.05585	2.8
181.08620	2.5
199.09694	64.6
200.09985	1.7
217.10684	8.4
379.16074	100.0
379.23456	4.7
380.16354	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81936	0.6
59.01251	100.0
65.32548	0.6
71.01261	2.7
71.44071	1.1
73.02827	2.5
79.34832	0.6
83.01297	1.1
85.02837	0.8
96.95886	9.8
101.02319	3.4
102.15721	0.7
105.96641	0.7
113.02371	1.1
160.24020	0.6
161.04550	1.2
171.08078	0.7
201.93094	0.6
217.73274	0.6
285.62677	0.7
379.16705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01596	1.3
68.82848	0.4
71.01250	2.5
73.02824	1.9
73.05802	0.4
83.01251	1.0
85.02814	1.1
87.00777	0.5
89.02323	1.1
93.17374	0.4
96.95887	6.5
98.20560	0.9
99.00748	0.5
101.02322	1.7
113.02354	1.1
131.86475	0.4
135.04417	0.6
149.02473	0.4
152.99577	0.5
157.08676	0.7
159.02762	0.5
161.04478	0.4
191.03499	0.5
229.19176	0.4
244.85994	0.4
277.12982	0.7
311.19690	0.4
350.31122	0.4
379.16223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1583
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.01252	3.2
69.62428	5.5
69.62830	11.8
85.03365	2.4
89.85080	2.7
99.92467	70.7
100.92498	3.4
111.78861	2.5
115.91969	30.0
116.92751	100.0
117.92770	7.5
144.10201	4.8
148.94487	2.5
153.07597	2.4
171.85648	3.0
279.23163	3.3
379.15826	54.2
379.28461	28.5
380.15881	8.6
380.31824	3.6
393.13748	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24738	0.7
59.00986	2.0
59.01252	31.0
70.97117	1.9
84.74960	0.6
113.09693	2.4
118.20004	0.7
130.75157	0.7
179.14348	1.3
183.13876	2.9
195.13858	16.0
195.15530	1.2
196.14124	1.1
277.21729	17.4
295.22781	100.0
296.23087	10.2
345.09796	0.8
377.22989	25.1
378.23322	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	377.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44345	7.5
59.01252	100.0
61.50208	9.3
61.98693	37.4
65.82751	8.0
69.95210	27.1
69.95620	13.7
70.58347	7.8
78.02063	8.0
81.28925	7.7
87.34866	8.9
92.97357	42.0
98.58634	8.8
119.47170	8.6
133.85036	9.9
137.32605	8.6
168.90816	9.0
174.99126	17.9
202.98653	36.2
217.00154	19.2
219.97621	23.5
283.27512	61.8
298.16394	8.1
327.26740	11.9
339.84686	9.6
341.10635	10.7
377.27194	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38009	0.5
52.73387	0.6
58.19720	0.5
59.01251	36.1
69.64590	3.6
89.02287	0.5
89.16299	0.5
102.19408	0.5
125.09582	1.0
127.11182	0.9
131.43990	0.7
141.12761	0.7
146.14935	0.6
147.92717	0.6
155.10658	0.7
171.10185	35.5
172.10564	1.6
183.10149	2.7
213.92615	0.5
241.21991	0.6
260.21149	0.5
277.21722	42.0
278.22034	4.9
295.22781	100.0
296.23105	9.7
317.20816	0.9
359.15256	1.5
368.78949	0.5
377.23032	33.1
378.23486	5.1
403.13266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67089	0.5
54.60262	0.6
57.03273	0.7
57.74807	0.5
58.03032	0.6
59.01184	17.9
59.01517	1.7
69.03267	0.8
69.91682	1.5
69.92089	2.2
70.80273	0.6
77.04414	0.7
95.04832	1.4
99.08010	0.6
99.92420	0.6
109.09476	0.6
114.12418	0.6
125.09512	0.9
139.11015	0.6
140.89728	0.6
141.12674	0.9
151.11134	1.4
159.01303	0.8
171.10168	26.7
172.10463	1.2
183.10100	2.4
229.52861	0.6
249.22220	1.3
275.20349	0.6
277.21701	36.7
278.22064	4.0
295.22766	100.0
296.23105	10.0
299.19846	0.8
317.20935	32.1
318.21359	3.2
335.20837	1.4
361.19949	5.2
377.22891	24.0
378.23096	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	29.4
61.98687	4.5
69.29599	3.5
69.30007	12.8
81.07373	1.4
87.83350	1.5
98.19795	2.4
111.08024	2.7
113.09595	3.2
144.08292	1.7
157.08604	53.7
171.17410	1.6
174.99149	1.6
201.02444	1.9
202.98682	1.7
273.25952	1.8
277.21732	50.0
278.22034	5.2
295.22769	100.0
296.23114	8.3
299.19897	3.4
311.28601	1.6
331.18988	11.9
331.22296	2.2
377.22900	27.7
378.23169	4.2
401.28845	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23124	0.9
51.87186	0.9
52.71240	1.0
56.15465	0.8
57.72841	1.0
59.01251	20.9
66.90694	1.1
69.87524	2.5
69.87942	3.5
91.38341	0.9
95.04888	8.7
95.84351	1.1
96.95963	1.0
99.92422	1.3
111.56088	1.2
113.09589	3.2
127.68988	1.0
142.90337	1.1
175.91061	0.9
195.13817	17.9
196.06673	1.0
202.98642	1.5
217.12160	1.2
219.97595	1.6
235.13240	1.1
246.12407	1.1
249.11130	1.2
249.22128	2.4
277.18887	1.6
277.21698	16.5
278.11478	6.3
295.22763	100.0
296.23178	9.9
317.20947	45.0
317.24792	1.1
318.21317	4.0
338.12097	2.2
341.10861	1.7
361.19971	6.6
377.08710	1.2
377.22247	11.4
378.22488	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	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.5
57.03312	1.2
58.00461	0.5
59.01249	20.3
68.99730	0.4
69.03323	0.4
69.42281	2.7
71.01248	10.9
72.99164	1.0
73.02814	3.4
75.52391	0.4
83.01255	2.6
85.02819	4.9
86.34395	0.3
87.00750	2.5
89.02312	1.1
95.01249	1.1
96.95886	0.3
97.02827	0.8
99.00735	0.9
101.02318	7.0
111.00767	1.1
112.01521	0.4
113.02335	2.5
124.01556	0.4
125.02289	0.7
129.01828	0.4
169.15871	0.9
178.55098	0.3
192.14049	0.4
197.15370	1.0
213.14978	0.4
215.16449	30.4
216.16771	1.7
219.34991	0.4
224.77208	0.3
250.75594	0.4
290.47992	0.3
309.92969	0.4
332.96109	1.3
341.11197	0.4
359.20740	3.0
377.21768	100.0
378.22089	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
56.35313	0.1
57.03318	1.2
58.00463	0.5
59.01248	100.0
60.01582	1.0
69.03328	0.4
71.01251	17.3
71.04893	0.6
71.58686	0.3
72.99174	1.0
73.02818	6.0
74.03145	0.2
75.00738	0.2
78.95786	0.2
83.01254	3.0
85.02820	8.5
87.00757	1.2
89.02310	4.4
89.14292	0.2
95.01269	1.6
96.95869	0.4
97.02831	0.4
99.00742	2.2
101.02318	14.2
102.02658	0.3
111.00762	0.4
113.02320	6.8
114.02681	0.3
119.03369	1.6
125.02369	0.5
127.11219	0.6
143.03371	1.1
152.99513	0.2
159.02911	1.2
161.04462	8.0
163.74159	0.2
173.15413	2.4
176.84155	0.2
202.41106	0.2
202.98557	0.3
205.03523	0.3
215.16449	0.2
233.60014	0.2
317.19818	0.8
335.20734	18.2
336.21179	1.5
341.11221	0.3
349.23978	0.5
377.08798	0.2
377.21988	0.6
378.22842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23547	3.6
57.03324	13.3
59.01240	9.9
63.83597	4.2
71.01256	7.5
71.04887	6.5
71.58306	4.7
71.87746	3.7
73.02824	17.9
73.44138	3.9
79.48570	4.0
81.03326	29.9
83.04884	9.2
84.52937	4.0
85.02831	17.1
93.03342	35.2
95.04916	10.0
97.06470	11.6
100.48179	4.1
101.05982	6.2
111.04411	53.8
121.06479	7.8
123.08067	7.0
125.06042	4.5
127.11185	10.4
139.07526	4.9
151.07486	6.2
153.09026	4.0
171.10184	100.0
172.10466	6.2
177.12869	7.5
185.11787	16.1
193.12401	4.1
197.11710	5.3
199.09708	6.3
201.11276	82.1
209.11783	8.5
213.11185	13.3
215.12846	20.5
221.11826	29.8
223.13411	4.9
239.12886	44.4
247.13380	16.1
249.14780	6.5
249.87405	4.3
265.14453	16.1
285.17157	5.1
305.17587	6.1
350.51492	4.5
359.20663	21.0
377.21545	6.5
378.22772	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	377.1605
Annotation	Shinjulactone A
Peak:m/z	Relative Intensity
58.28412	1.7
59.01250	41.1
59.98384	5.3
70.28039	2.9
70.28365	3.9
71.01256	9.3
73.02814	3.8
83.01246	2.8
85.02808	4.6
89.02330	3.9
96.95870	8.9
97.02830	3.7
97.99986	3.1
98.20417	2.8
99.04357	4.0
100.49677	1.9
101.02324	7.8
113.02299	2.5
124.01553	4.4
133.02847	3.6
186.10632	1.9
202.98726	2.6
215.03168	4.1
215.07079	2.5
259.17001	57.2
260.17288	7.4
285.14999	4.9
308.87939	2.0
329.13876	6.6
333.17041	14.4
334.17307	2.6
341.11023	9.7
347.14932	7.3
359.14978	67.9
360.15393	8.5
377.08401	6.6
377.16034	100.0
377.21201	7.3
377.28613	3.4
378.16507	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	377.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.4
57.81680	0.5
59.01247	3.7
60.99178	6.1
67.01761	15.3
69.03326	3.9
69.30100	5.7
71.01254	4.8
74.46528	0.5
78.95792	0.6
80.71419	0.5
81.03339	3.0
83.04895	2.1
85.02831	1.0
87.00744	21.2
93.03329	100.0
94.03645	2.2
96.95848	2.8
97.02802	0.6
99.00742	2.1
99.04389	1.4
101.02361	0.5
103.05407	0.9
109.02822	1.2
111.04394	15.9
113.02316	1.6
114.35843	0.5
115.03851	0.9
129.01796	3.0
130.04176	2.9
143.03398	1.0
155.03407	3.8
158.03610	0.8
159.04410	6.1
169.59453	0.5
173.04460	73.5
174.04829	1.8
203.03424	12.0
224.92140	3.0
341.10904	0.7
355.44650	0.5
362.95432	0.5
376.93399	6.5
377.08762	37.8
377.21335	1.2
378.09045	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	377.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36349	0.7
56.81485	0.6
57.03320	1.7
59.01242	7.6
60.99171	5.1
67.01763	13.8
69.03316	4.4
69.80088	4.8
71.01250	6.4
73.02818	0.8
75.79140	0.8
81.03335	3.3
81.69987	0.8
83.04884	2.8
85.02854	1.7
87.00748	22.1
93.03330	100.0
94.03683	2.2
96.95894	12.6
97.63023	0.8
98.95470	12.5
98.96256	1.4
99.00775	1.8
99.04372	2.1
99.56559	0.8
101.02333	1.2
102.61189	0.9
109.02861	0.8
111.04405	13.9
113.02296	1.5
115.03918	1.0
121.02823	0.8
121.06487	2.2
129.01822	2.7
131.04922	1.9
133.38802	0.7
143.03430	1.5
149.02322	8.4
150.03123	2.9
155.03419	3.3
159.04416	22.4
159.05748	1.4
160.04805	1.2
164.04735	2.2
165.05490	2.5
173.04462	74.0
174.04808	3.0
195.06575	1.8
203.03441	12.1
216.52019	0.9
314.11542	2.1
317.15836	0.8
329.13959	8.0
360.86771	0.9
377.08755	48.9
378.09045	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	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46851	1.8
59.01250	43.4
70.92952	2.8
70.93297	4.0
71.01250	34.4
72.99164	2.2
85.02829	6.0
87.00745	3.5
89.02309	47.8
91.16125	2.0
99.00740	2.8
101.02324	16.3
104.36198	2.4
113.02319	16.3
119.03384	13.4
126.84402	2.3
128.33409	1.8
131.03369	2.5
143.03391	4.6
155.19801	2.0
161.04448	6.3
179.05530	17.7
215.03214	23.9
341.10852	100.0
342.10849	4.8
350.70767	2.8
377.08530	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01253	51.3
71.01231	0.8
71.04890	4.7
71.58800	0.9
72.69266	0.6
83.89404	0.6
85.06437	0.8
85.32046	0.6
87.04362	0.9
125.46082	0.6
166.16464	0.6
174.99164	1.8
203.17961	0.6
209.15334	1.0
217.00192	5.7
221.15474	1.3
223.16962	4.2
231.21187	2.1
235.16989	34.9
236.17326	2.8
237.18575	1.0
275.20151	34.0
276.20529	2.5
293.21222	100.0
294.21576	8.9
315.19464	1.6
344.35754	0.6
375.21509	28.6
375.26337	1.4
376.21954	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38275	0.3
52.29897	0.3
57.03325	0.8
59.01254	17.4
60.85883	0.3
60.94189	0.3
64.29515	0.4
71.58900	0.5
89.47292	0.3
97.06491	1.0
121.10098	0.5
123.08083	0.9
125.09620	4.4
133.52592	0.4
141.12750	1.5
149.09616	2.7
151.22507	0.3
152.99496	0.7
158.19572	0.5
167.14313	0.6
174.99150	0.8
182.00505	0.4
185.11768	12.2
186.12091	0.5
197.11758	3.1
209.07848	0.7
217.00255	2.8
239.20128	1.2
247.20697	1.2
249.22159	0.8
275.20200	0.7
287.86279	0.3
293.21234	100.0
294.21606	9.3
294.24884	0.2
315.19412	30.5
316.19751	2.9
355.30350	0.4
375.21497	3.4
376.21509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29420	0.6
57.03326	4.7
59.01249	42.9
60.01592	0.7
69.31139	0.6
69.36773	5.5
69.54415	0.7
71.01232	0.7
75.30241	0.6
93.03318	0.9
97.06476	0.8
109.06437	0.8
113.08801	1.1
113.09599	22.4
114.09904	0.8
121.06468	3.4
121.10100	5.7
139.11174	2.0
149.09666	0.8
150.95195	0.7
167.10664	2.8
171.10172	14.8
174.23888	0.7
174.99146	2.7
177.12674	1.1
179.10686	2.4
183.10164	1.4
185.11774	1.0
195.13811	2.7
215.10429	0.8
217.00227	7.8
217.12047	1.2
231.21071	0.8
247.09454	1.6
247.20639	2.1
247.88164	0.7
249.11026	2.2
249.22247	2.6
271.89197	0.7
272.13797	1.9
275.20139	20.0
276.20465	1.6
279.12103	1.0
293.21210	100.0
294.21515	8.4
300.05313	0.8
315.19391	91.6
316.19632	9.6
375.21420	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26932	0.5
59.01250	31.7
61.96815	0.5
69.03315	0.5
69.25443	4.1
69.25864	1.9
71.01235	0.8
78.95767	0.8
80.27269	0.5
99.92461	1.1
104.75876	0.5
107.30303	0.5
119.92200	0.5
132.98038	0.6
161.42426	0.6
174.99164	4.6
201.02531	1.3
209.15361	0.9
216.98206	1.1
217.00250	15.1
231.21185	1.8
235.00500	0.6
237.18724	0.6
263.12625	1.2
263.20157	11.7
264.20459	0.7
265.21735	0.9
275.20142	21.7
276.20523	2.1
283.16760	0.8
285.18292	1.9
293.21228	100.0
294.21585	10.3
313.17438	0.8
315.15875	0.4
315.19400	11.2
315.25143	1.1
316.19681	0.5
317.17300	2.6
318.31271	0.6
333.19208	1.0
359.18286	1.6
374.98917	0.8
375.20828	13.4
376.20993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72930	0.9
52.85147	0.8
59.01252	56.3
60.01575	1.2
71.29787	1.0
71.30125	1.1
73.67909	0.8
78.95800	1.4
83.50800	0.8
91.88772	0.8
95.04896	3.2
109.06483	2.5
111.08022	1.0
120.46951	0.9
121.10119	27.4
122.10455	1.3
127.07545	1.1
149.09656	1.4
153.84886	1.0
171.10181	61.6
172.10519	3.0
174.99167	4.8
177.16336	1.6
183.10240	2.0
183.13826	3.0
185.11760	2.4
201.02550	2.1
207.10011	2.7
209.07936	1.1
217.00266	16.1
218.00566	1.2
231.21127	4.1
253.09230	3.4
257.19229	1.0
275.20154	100.0
276.20493	9.3
278.11316	9.6
293.21228	97.4
294.21552	8.7
313.17963	1.2
315.19388	48.3
316.19565	4.3
329.17526	2.3
333.19391	1.7
359.18372	6.6
360.18945	1.2
375.21045	33.0
376.21146	4.5
397.32959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07471	0.2
59.01243	1.6
65.36755	0.3
66.03470	0.3
69.60496	1.6
71.01244	1.4
73.02821	0.5
82.26555	0.2
85.02818	0.4
89.02319	0.5
98.20491	0.5
98.58245	0.2
101.02322	0.5
106.35696	0.3
113.02330	0.8
114.73701	0.3
114.87395	0.3
161.62587	0.3
177.12743	0.3
183.13831	14.9
184.14175	0.8
195.13832	12.2
196.14172	0.8
211.13425	0.4
213.14902	100.0
214.15265	5.9
221.02895	0.3
227.16583	0.3
228.26649	0.3
240.51605	0.3
255.16019	0.3
267.16037	1.1
375.20142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49061	0.9
59.01245	42.9
60.01549	0.8
66.07136	0.8
70.30682	2.9
70.44933	1.0
93.03352	2.0
95.04894	39.0
99.92435	1.9
111.08041	1.1
128.10118	1.0
128.26294	0.8
132.93338	0.8
174.99164	6.4
179.14365	1.7
183.13750	0.8
189.05310	1.4
191.76917	0.9
195.13776	13.4
201.02475	1.5
205.12306	1.2
210.03885	1.2
210.89944	1.1
217.00214	24.1
223.13324	11.4
224.14040	0.9
228.13683	1.5
246.12314	13.1
249.06174	2.2
254.02805	1.3
256.13083	2.2
275.20062	4.8
278.11322	83.6
279.11679	4.6
293.21207	100.0
294.21542	11.6
306.13123	1.6
315.15808	0.8
315.19321	17.2
316.19696	2.0
338.12170	12.1
339.12354	2.0
358.12326	1.3
374.98999	1.5
375.20975	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
56.42178	0.4
57.03329	0.9
58.00463	1.9
59.01247	67.6
60.01575	1.2
67.87305	0.4
71.01250	24.1
72.99171	2.9
73.02822	1.3
83.01260	1.4
85.02811	6.4
87.00766	1.2
89.02311	18.3
90.96986	0.5
95.01274	1.9
96.95934	0.7
98.19829	1.3
99.00777	1.0
99.50111	0.4
101.02317	14.7
110.82775	0.4
113.02321	9.3
119.03368	6.1
132.98093	1.2
137.02365	0.6
151.62459	0.5
152.04730	1.5
164.01100	1.2
164.07050	0.5
166.91025	0.6
167.07040	1.6
173.10202	0.5
174.99161	10.7
179.03430	1.3
183.13776	0.6
195.13834	11.2
201.02469	1.7
207.02892	1.0
210.89967	1.0
213.14828	4.2
217.00232	37.3
218.00562	1.3
313.20419	0.7
330.51669	0.6
347.11215	1.5
357.19226	1.2
374.99185	2.0
375.20190	100.0
376.20529	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	1.1
59.01250	39.2
71.01251	17.0
71.45313	1.1
72.99168	1.5
75.62394	0.7
81.24015	0.7
83.01250	1.2
83.64185	0.7
85.02825	3.1
87.00740	0.8
89.02314	14.5
95.01267	2.1
101.02321	11.7
112.09283	0.7
113.02322	6.3
119.03378	5.9
173.61479	0.7
183.13766	1.1
189.95491	0.7
195.13806	7.6
195.52251	0.7
207.63518	0.8
213.14928	4.6
355.04205	0.7
375.20212	100.0
376.20575	7.2
389.79123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03324	1.2
58.00462	2.2
59.01248	47.7
60.01581	0.5
64.00008	0.3
70.29796	1.2
71.01249	24.9
72.99172	2.2
73.02814	1.7
83.01268	1.9
83.04901	0.6
85.02825	6.7
87.00764	1.1
89.02309	18.9
90.02625	0.5
95.01255	2.4
96.95892	1.1
99.00771	0.6
101.02316	15.5
113.02324	8.4
119.03384	7.2
131.03366	0.4
135.04356	0.4
141.50615	0.3
149.04492	0.4
171.87480	0.4
177.70451	0.4
183.13855	0.6
195.13815	9.3
196.14124	0.9
208.92581	0.3
209.84496	0.3
213.14867	4.7
217.00232	2.7
239.14848	0.4
241.58601	0.4
357.19284	0.8
359.12231	0.4
375.20193	100.0
376.20551	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12392	3.2
59.01240	3.0
66.00095	3.5
70.91236	2.8
71.58681	7.3
89.41531	3.1
101.72833	3.7
159.08327	4.0
187.42735	3.7
255.26003	3.9
277.21768	6.5
291.09103	84.0
292.09341	7.9
309.09967	4.3
330.45483	3.2
359.11127	6.9
359.15372	100.0
360.15350	17.6
375.18512	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02590	0.5
63.95200	0.6
69.29120	6.4
72.21391	0.6
72.73430	0.7
74.98946	1.8
80.61294	0.7
93.00012	1.4
95.39468	0.5
137.93060	0.7
159.08363	10.3
159.09628	0.4
161.06297	2.8
203.54594	0.6
209.01208	2.1
217.07118	1.3
225.00722	0.7
246.81656	0.5
257.13818	0.6
277.07489	2.5
278.07611	0.7
281.37686	0.7
289.07651	1.7
291.09088	91.5
292.09158	11.3
309.10156	3.3
357.13824	2.0
359.15320	100.0
360.15454	14.9
366.54651	0.6
375.18439	6.9
376.18576	1.3
377.16425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03324	0.7
58.00473	2.2
59.01252	43.6
60.01584	0.4
66.99813	0.2
68.13312	0.2
69.44082	1.6
71.01253	25.7
72.01605	0.3
72.99178	3.2
73.02821	1.3
75.00734	0.2
83.01266	2.3
84.44863	0.2
85.02820	5.6
87.00762	1.1
89.02318	20.8
90.02646	0.3
95.01277	2.0
96.95892	1.6
97.02841	0.2
98.20535	0.4
98.95496	0.2
99.00748	0.4
101.02322	15.7
101.87308	0.2
102.02644	0.2
107.04919	0.2
111.35741	0.2
113.02328	9.5
114.02670	0.2
115.07539	0.3
117.30427	0.2
119.02553	0.4
119.03393	7.0
129.01797	0.2
131.03383	0.7
135.98247	0.3
139.11148	0.2
143.03404	0.3
149.04465	0.4
151.11166	1.1
151.29597	0.2
156.08150	0.2
161.04424	0.3
175.01047	0.2
177.09158	0.2
179.05531	0.4
183.13835	0.7
190.03291	0.4
195.10243	2.0
195.13835	11.0
196.14198	0.8
213.11464	0.3
213.14897	4.1
214.15224	0.2
217.00287	0.5
234.02292	0.3
336.91150	0.2
357.14902	0.2
357.18781	1.0
371.48184	0.2
375.20209	100.0
376.20572	9.7
391.23294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.4
62.99713	0.4
69.33961	1.8
69.34384	2.4
71.01247	10.3
73.51665	0.4
77.52818	0.4
81.81945	0.4
86.16930	0.4
127.07571	0.9
146.49268	0.4
148.05200	0.6
148.74467	0.5
151.07623	0.9
164.08340	0.9
174.99142	2.4
177.09129	3.3
190.09917	2.0
192.11473	8.0
193.12022	0.6
198.17889	0.4
201.76128	0.4
205.12288	2.9
207.13861	1.4
217.00240	8.6
218.09468	2.3
220.14632	40.0
221.15404	100.0
222.15753	6.8
231.17619	0.6
235.13382	1.0
236.10489	86.1
237.10872	7.1
264.08521	0.9
272.74338	0.5
275.16470	0.6
292.11377	0.6
293.17575	40.3
294.17883	4.1
318.09570	5.8
319.09720	0.9
321.15506	2.3
335.13254	0.7
374.99069	0.6
375.17776	8.6
376.17712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
58.00451	4.4
58.74162	1.8
59.01249	100.0
70.35041	6.1
71.01254	64.6
72.99180	9.2
73.02815	5.3
83.01271	4.1
85.02808	16.7
87.00750	3.4
89.02310	57.1
95.01250	2.8
96.95892	20.1
98.20464	2.9
98.95467	6.1
101.02314	49.5
108.02045	22.8
113.02313	23.6
119.03385	31.2
123.04401	28.3
127.07586	3.3
130.39626	1.8
131.03342	3.6
143.03391	3.0
161.04410	3.3
163.15298	2.1
177.09166	3.5
179.05544	3.4
195.02869	2.4
270.05597	2.0
357.15497	7.9
375.06375	3.6
375.11469	2.9
375.16495	54.2
375.20178	3.5
376.16879	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03321	2.2
58.00478	1.2
59.01251	54.6
68.99719	0.7
69.03332	0.9
69.13516	0.5
69.30488	0.4
70.29059	0.5
70.56548	0.4
71.01253	24.7
72.99180	2.1
73.02818	6.9
83.01250	4.1
85.02824	9.2
86.00000	0.8
87.00761	3.3
89.02306	5.8
94.20434	0.5
95.01267	2.0
96.95910	2.0
97.02820	1.2
99.00762	2.1
99.04397	0.7
101.01688	1.1
101.02321	13.6
111.00760	1.4
112.01528	0.5
113.02322	7.0
119.03384	1.4
124.01579	0.7
125.02341	1.7
141.09099	0.9
153.09114	4.2
161.04489	1.2
171.10179	29.8
172.10532	1.1
183.10246	0.5
185.11703	0.9
225.11302	0.7
276.88062	0.6
315.14487	27.3
316.14868	1.7
324.89032	0.6
333.15543	83.8
334.15897	5.7
375.16577	100.0
376.16898	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	375.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26736	0.8
54.74257	0.9
55.01747	2.0
57.03297	3.4
58.00446	1.1
59.01248	100.0
59.64772	1.0
59.95316	0.9
60.01576	1.2
61.01646	1.3
69.03355	0.9
71.01250	27.1
71.35645	1.4
72.99168	2.4
73.02810	12.3
83.01257	7.9
85.02817	15.8
85.99988	1.0
87.00721	2.8
89.02305	4.3
95.01224	2.3
96.95895	6.2
99.00760	3.6
101.02311	27.8
104.76622	0.9
113.02324	12.5
119.03355	1.9
125.02370	1.3
143.03368	1.3
159.02892	1.3
161.04474	7.1
171.10197	1.8
197.11743	1.0
199.53767	0.9
213.11153	2.4
217.00293	1.3
276.90710	1.1
287.14978	1.9
289.16541	23.6
289.19653	1.8
290.16995	2.8
315.14404	2.9
333.15512	10.4
375.16528	69.0
376.16824	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01256	23.3
71.01254	8.0
71.29957	1.8
72.91271	1.3
73.02822	3.3
83.01234	3.0
85.02831	5.3
87.00729	2.5
89.02305	3.4
91.99467	1.3
93.03339	3.2
96.95891	15.5
98.95470	2.5
99.00806	1.2
101.02332	6.0
109.02838	1.6
113.02345	3.0
121.02835	14.4
122.03659	8.7
123.00793	1.2
123.04388	1.3
136.01576	1.4
138.83379	1.1
146.03616	7.3
147.04448	3.1
149.02342	100.0
150.03143	57.2
151.03415	2.2
161.05952	2.7
164.04683	20.5
165.05482	71.9
166.05853	3.2
171.10205	11.8
179.07050	13.0
180.04176	5.2
195.06564	31.0
217.00182	2.3
268.07330	2.2
283.09714	4.2
297.07819	2.0
312.10031	24.4
313.10507	2.9
315.14508	9.7
327.12366	88.8
328.12677	9.7
333.15533	30.4
334.15976	2.2
356.03763	1.3
375.16574	39.2
375.20966	2.7
376.16846	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03326	1.0
59.01254	21.8
71.01254	5.4
71.07723	0.9
71.62852	0.3
73.02824	2.7
79.95608	7.5
80.96387	0.4
81.95190	3.2
83.01245	2.0
85.02822	3.8
87.00755	13.1
89.02333	0.5
93.03338	1.2
95.01308	0.4
96.95892	100.0
98.19897	0.4
98.95474	7.9
98.96292	1.4
99.00748	1.2
101.02321	5.4
111.04431	0.4
111.08085	0.5
113.02359	2.2
121.02842	1.2
122.03606	3.0
123.04391	0.4
129.06938	0.4
134.03596	0.4
136.01567	1.0
137.05948	0.5
139.07639	0.4
146.03683	2.5
147.08162	0.4
149.02348	7.1
149.05972	0.6
150.03137	20.2
151.03781	1.3
160.34674	0.4
161.04453	2.1
161.05844	0.9
164.04713	3.0
165.05490	26.6
166.05905	1.3
167.11145	0.4
171.08058	0.7
179.03418	0.4
179.07080	3.2
180.04214	2.0
189.09154	2.1
195.06570	12.1
196.07011	0.6
199.70323	0.4
207.06535	1.0
207.10168	1.5
215.10634	0.5
217.00046	0.6
233.11812	1.2
251.12782	0.6
277.10931	0.7
289.16583	6.3
295.08295	0.5
295.11853	6.0
312.10065	0.6
315.14606	0.7
315.18140	0.6
327.12463	3.5
331.08554	0.8
333.15570	2.3
357.06418	0.7
375.03363	0.7
375.07571	10.0
375.16473	11.9
375.20425	1.9
376.07950	1.6
376.16946	0.8
376.21753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.06100	0.5
60.01610	1.1
71.58442	1.1
73.02847	0.5
87.00793	0.6
96.95905	1.0
106.98508	0.5
115.91993	0.6
132.98079	1.3
166.90988	1.4
174.99167	9.9
175.00641	0.7
194.92870	0.5
201.02541	1.9
210.89977	0.8
217.00250	35.7
232.97519	0.9
253.21730	0.7
314.27069	1.1
374.24698	1.7
374.99442	1.2
375.27548	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	375.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	19.2
70.59721	13.0
71.01254	6.3
72.99185	68.7
74.84120	4.4
77.91349	3.8
80.83823	4.3
84.78819	4.2
87.00731	3.9
91.05406	4.7
93.03337	50.1
95.04903	7.7
96.95893	68.1
98.95484	5.8
101.02320	7.2
105.03335	4.8
107.04912	6.5
108.02084	3.6
109.38774	3.9
113.84117	4.3
121.02843	100.0
123.04417	73.9
133.02832	44.5
135.04390	34.5
137.02423	3.8
149.02339	33.2
151.03917	71.5
177.01906	6.5
213.07635	4.4
375.20300	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56558	0.8
57.03302	2.4
59.01248	48.2
61.18703	0.8
93.03355	1.0
93.06960	1.2
95.72144	0.8
97.06464	2.3
98.19716	1.5
115.91953	2.9
121.10112	20.0
122.10439	1.0
125.09637	5.5
127.11221	1.0
141.12750	1.4
147.08054	1.6
174.93294	2.1
179.40591	1.0
185.11743	11.6
197.11739	2.6
207.09995	4.7
209.11858	1.1
211.13333	1.7
215.14426	0.9
217.15707	1.2
245.19075	9.5
291.19635	57.1
292.19998	6.2
301.18076	28.4
302.18295	2.5
311.16257	1.3
313.17841	100.0
314.18149	9.6
331.19116	93.1
332.19412	11.1
373.19226	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	373.2743
Annotation	3b-Hydroxy-5-cholenoic acid
Peak:m/z	Relative Intensity
58.58305	0.5
59.01248	3.1
61.76915	0.5
71.57496	0.7
78.95776	2.4
98.39523	0.6
115.91943	1.6
131.38029	0.6
141.07584	0.5
152.99490	2.5
174.93213	0.9
215.80956	0.7
220.30862	0.6
222.69659	0.5
226.50026	0.5
279.23312	2.1
284.34442	0.6
299.24817	0.7
315.24942	0.6
373.27438	100.0
374.27829	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43797	0.4
55.01755	0.9
57.03329	0.6
58.00467	0.7
58.22112	0.4
59.01249	100.0
60.01600	0.8
68.53931	0.4
69.03340	0.5
69.67503	1.6
69.67929	1.5
71.01252	12.5
72.99184	1.5
73.02820	7.1
73.48571	0.4
77.74004	0.4
79.95598	0.9
83.01263	3.6
85.02824	4.8
87.00760	1.7
89.02309	4.8
95.01270	1.3
96.95884	8.1
99.00758	0.9
101.02322	9.3
111.00809	0.7
113.02324	4.9
114.94306	0.4
119.03411	1.4
120.99581	0.6
135.04422	0.4
135.98242	0.6
151.07573	0.5
161.04527	1.6
211.13342	1.1
223.19446	0.5
258.70917	0.4
290.01105	0.4
297.08875	0.7
329.11319	0.9
373.05847	0.7
373.18686	30.9
374.19037	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.9
85.77071	0.6
92.96955	0.6
93.03331	1.8
96.95880	1.1
98.20657	1.1
115.91940	1.7
129.68916	0.5
148.08846	0.9
150.10429	1.2
163.11150	1.4
165.12759	19.7
166.13142	1.2
174.93336	2.0
177.12752	1.3
191.14299	0.7
193.12288	1.2
195.14001	0.6
200.30733	0.6
202.96492	0.6
208.93019	1.0
225.43478	0.6
244.10648	4.5
247.20631	11.8
273.18616	6.6
274.18961	0.7
276.09738	3.5
291.19638	100.0
292.19965	9.9
313.17841	13.9
314.18146	0.7
373.19870	11.3
374.20300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01751	1.7
57.03314	1.4
58.00462	2.3
59.01249	44.5
71.01254	24.6
71.58212	0.6
72.99168	2.5
73.02808	2.7
79.95631	0.6
83.01258	2.5
85.02821	7.5
87.00751	1.5
89.02312	19.4
95.01225	2.2
96.95894	5.7
99.00761	1.0
101.02319	18.4
101.02995	0.9
102.02733	0.7
103.82748	0.4
113.02325	10.0
119.03390	8.2
125.02326	0.5
136.01567	0.5
143.03418	0.6
147.04391	0.5
149.04521	0.7
151.55695	0.5
161.04486	1.0
161.05832	0.5
193.12250	6.8
211.13309	5.4
212.80959	0.6
329.13889	0.8
341.68839	0.5
355.17517	1.3
373.18649	100.0
374.18970	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
58.00444	0.5
58.17643	0.4
59.01247	100.0
60.01573	1.3
67.09292	0.4
69.03333	0.5
71.01246	9.9
71.06561	0.8
71.87186	0.3
72.99181	1.1
73.02812	5.5
77.47138	0.3
79.95600	0.8
83.01282	2.2
85.02814	4.1
87.00755	1.0
89.02311	4.7
92.28210	0.3
95.01273	0.6
96.95885	7.1
97.02855	0.4
98.95486	0.5
99.00735	0.6
101.02318	8.7
113.02337	4.4
119.03396	1.6
120.99516	0.4
131.03397	0.6
143.03352	0.7
151.07547	0.4
155.03458	0.4
161.04456	1.2
167.50113	0.3
186.74556	0.4
200.00648	0.4
211.13274	0.6
238.04070	0.4
329.11374	0.5
331.17462	0.6
356.35800	0.3
373.05850	0.7
373.18646	16.2
373.23215	0.8
374.18942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.99258	0.4
55.01754	3.4
57.03325	3.0
58.00483	1.0
59.01252	27.8
71.01251	21.9
71.76041	0.4
72.99165	2.2
73.02820	8.2
83.01256	6.0
85.02816	11.6
85.99962	1.4
87.00757	1.3
89.02320	5.6
95.01253	1.7
96.95891	3.5
98.19740	0.7
99.00734	2.8
101.02316	18.3
111.00744	0.8
113.02332	6.1
119.03393	2.1
122.30197	0.4
161.04437	0.7
193.12311	0.8
211.13203	1.0
348.36136	0.4
373.18658	100.0
374.19019	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	373.1688
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
50.42415	0.3
56.36914	0.3
57.03301	0.4
58.58064	0.3
59.01250	4.2
68.99702	0.4
69.53779	1.9
69.54189	0.5
71.01242	1.0
79.95605	0.4
83.01263	0.4
83.48475	0.3
85.02819	0.4
87.00739	2.0
90.31343	0.3
96.95882	6.2
99.00797	0.5
111.00754	0.5
112.98644	0.3
115.91931	0.4
119.04998	0.3
120.99534	100.0
121.99923	1.8
131.67473	0.4
135.04384	0.4
141.01843	0.5
161.02341	0.7
162.88551	0.4
174.93314	0.8
175.03943	0.5
179.03275	0.4
183.13786	0.4
195.13803	0.6
203.03342	0.4
211.13348	0.4
213.14879	5.5
245.10471	0.4
253.05919	0.4
285.15289	1.2
329.06534	0.4
329.10303	0.4
367.34244	0.3
373.16843	26.2
373.25998	1.1
374.17294	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
58.00492	1.1
59.01249	100.0
60.01593	1.5
68.70532	1.1
71.01254	24.3
72.99175	3.1
73.02816	12.1
79.95612	1.9
83.01252	4.2
85.02827	8.6
87.00764	1.6
89.02303	13.6
95.01250	1.6
95.94183	1.2
96.95888	47.4
98.95475	6.8
98.96312	1.7
99.00749	1.7
101.02332	16.1
103.00250	4.4
107.04893	2.4
113.02324	11.2
119.03361	6.9
120.76373	1.2
136.01567	2.0
143.03343	2.0
151.03923	2.9
151.07608	3.4
161.04466	2.7
179.05527	2.6
195.62573	1.3
201.63428	1.2
211.09648	1.9
229.56346	1.4
285.15561	1.5
287.14865	2.0
293.10315	2.4
295.06937	1.2
313.12881	2.3
331.14001	3.2
356.05298	1.5
373.05804	9.3
373.14694	6.3
373.19128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.5
59.01253	7.5
71.01237	1.9
71.58897	2.6
79.95619	3.8
83.01275	1.7
85.02834	5.5
89.02277	1.6
91.01743	1.9
92.46925	1.3
95.01237	1.5
96.00781	1.8
96.95892	61.9
98.95484	2.7
103.00253	1.7
107.01304	1.8
108.02053	37.6
109.02856	20.3
111.00742	1.5
120.02104	1.7
121.02854	8.0
122.03596	3.3
122.99198	1.7
123.00763	6.5
123.04423	30.7
124.01556	4.3
125.02330	3.3
132.04424	1.5
133.02852	1.5
134.03595	2.0
134.06042	1.9
135.04382	2.3
135.98279	2.4
136.01559	77.6
137.02289	2.6
138.03140	2.9
145.02879	2.7
146.03654	6.0
147.04424	27.3
148.01579	4.1
148.05177	2.3
149.02374	3.1
150.03162	11.6
151.00261	2.3
151.03917	100.0
152.04257	2.6
152.07076	3.1
153.01845	1.4
153.05504	3.6
158.03709	2.1
159.04417	13.6
160.05219	13.0
161.02364	5.5
161.06021	8.5
162.03146	4.1
162.06764	1.3
163.03922	15.0
164.04727	6.2
165.01810	1.3
165.05519	4.1
166.06017	1.4
173.02454	2.4
173.05943	1.9
173.47371	1.3
174.03128	2.2
175.03922	18.4
175.07536	11.4
176.04718	38.4
177.05437	9.8
178.02654	4.7
178.06116	2.7
179.03436	1.7
179.07083	3.3
179.51385	1.2
182.95946	1.5
186.03099	1.4
187.03923	5.6
188.04713	7.8
189.05353	2.1
190.06265	2.9
191.07060	35.6
192.07410	3.1
193.04988	10.1
193.08684	2.3
203.03438	2.1
203.07137	5.4
204.04179	1.6
211.13251	1.8
219.06610	6.5
221.08128	15.0
222.08415	1.5
231.06598	1.5
233.75984	1.3
239.07169	2.6
249.07661	3.8
266.05780	3.6
267.06613	5.6
268.07349	2.8
269.08099	1.8
281.08182	2.4
282.08777	3.6
283.09760	4.2
284.10486	8.7
285.04083	10.7
295.06085	3.6
296.10641	2.7
297.08063	2.7
297.11307	9.1
298.08463	6.1
299.12744	2.4
309.04236	1.5
309.07782	3.1
310.08490	6.6
311.08786	1.9
313.03568	3.9
313.07291	1.5
313.10770	24.0
314.11319	2.8
325.10791	20.9
326.11108	2.3
327.12503	3.4
329.13867	18.1
330.14304	2.5
341.11313	2.6
343.08173	1.4
343.11871	7.3
358.10568	2.2
373.02362	3.1
373.05826	4.6
373.12961	30.0
373.17642	2.9
374.13190	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
57.03326	1.0
59.01252	10.4
60.65115	1.0
69.38907	8.1
71.01249	7.3
72.99179	0.9
73.02808	3.2
79.95606	6.3
83.01241	2.4
83.04859	1.6
85.02824	3.5
87.00753	0.9
89.02315	1.7
91.01752	1.6
93.03335	2.8
96.95889	43.4
98.95457	2.6
101.02325	5.5
107.04894	0.8
108.02030	2.0
109.02848	14.2
113.02316	2.7
115.91916	1.2
117.03358	1.2
119.03474	1.0
119.04865	1.3
121.02044	1.6
121.02845	16.1
122.03680	2.1
122.06009	1.4
123.00809	2.4
123.04447	4.3
124.01523	1.8
129.03300	0.9
132.04439	4.2
133.02844	1.4
134.03632	6.6
135.04372	3.0
136.01595	1.4
136.05228	5.7
137.02336	4.9
145.02843	1.8
146.02519	1.5
146.03627	18.8
147.04420	44.4
148.05238	6.8
149.02344	2.8
149.06007	4.3
150.03110	11.6
151.03946	10.2
152.07103	6.4
153.05484	1.0
153.09201	0.9
157.70280	0.9
158.03618	2.0
159.04411	14.6
160.05212	13.6
161.02379	5.4
161.05975	20.1
162.03146	12.7
162.06693	3.4
163.03918	9.0
163.07568	1.0
164.04695	11.8
165.05383	1.8
166.30489	0.9
168.04131	1.5
174.93169	1.0
175.03874	3.6
175.07552	14.3
176.07802	1.0
177.05470	9.4
178.02614	2.2
178.06204	3.6
179.02023	1.5
179.03462	16.8
179.07051	29.5
180.04192	18.6
180.07384	2.2
182.95886	0.9
193.04956	3.7
193.08658	2.7
194.05779	8.4
195.06581	17.1
208.06482	1.0
219.06017	0.9
252.07922	1.0
253.08719	1.7
267.06488	2.3
268.07370	9.2
269.08145	7.6
280.07141	1.0
282.08939	1.0
283.09772	15.0
284.10501	24.2
285.10828	1.9
297.11624	3.1
299.12912	10.1
313.10812	1.5
329.13940	100.0
330.14261	9.2
333.08167	1.7
340.09354	1.0
341.11359	6.1
343.11884	3.4
355.11780	3.1
373.05792	2.2
373.12885	20.2
373.18558	20.3
373.26083	2.4
374.13440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28495	0.4
59.01250	4.4
71.01265	0.7
71.23215	0.8
72.74879	0.3
72.94356	0.4
72.99174	1.0
73.02823	0.5
79.95611	3.1
80.96353	0.5
81.95194	1.3
85.02802	0.4
87.00761	0.8
96.95891	100.0
98.95454	2.7
101.02309	0.6
103.00253	16.1
121.02810	0.4
121.06491	0.5
123.04421	0.8
125.02303	0.4
135.08073	0.5
145.06088	1.2
153.01772	1.1
167.03416	1.1
168.04095	0.7
169.03799	0.7
182.95940	0.7
223.07329	0.5
237.38388	0.4
267.06604	0.6
295.06161	1.3
311.08514	0.7
325.10822	1.8
333.08047	1.8
373.05957	51.4
374.06314	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47989	0.2
57.03336	0.2
59.01252	1.9
60.08689	0.2
63.06137	0.1
71.01263	0.3
79.95610	2.7
80.70039	0.2
85.02817	0.4
87.00752	1.5
95.95105	1.4
96.95892	100.0
97.94678	0.3
97.95824	0.5
98.95472	3.0
98.96298	0.6
101.02368	0.2
113.02322	0.2
135.98300	0.2
143.08575	0.3
162.03143	0.2
170.48839	0.2
177.05443	0.2
187.07526	0.3
205.08594	0.2
218.57539	0.2
231.10118	0.2
275.09378	0.2
291.08655	0.2
293.10486	0.4
372.24393	0.2
373.05997	9.8
374.06305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01248	3.9
69.03319	0.2
69.67338	1.1
71.01248	2.5
72.99178	0.3
73.02814	0.6
79.95609	3.1
81.95163	0.2
83.01246	0.7
83.04910	0.3
85.02823	2.4
87.00742	1.8
87.04393	1.3
89.02323	0.5
94.05714	0.2
95.01282	0.6
95.95118	1.4
96.33426	0.2
96.95888	100.0
97.02824	0.2
97.94698	0.4
97.95844	0.4
98.95466	4.0
98.96289	0.7
99.00768	0.3
101.02322	0.8
113.02335	3.4
117.97231	0.2
135.04399	0.8
135.98273	0.2
143.03510	0.2
149.06042	0.2
172.05190	0.3
187.07487	0.2
231.10085	0.3
275.09311	0.5
293.10294	0.5
333.08112	0.2
373.05954	13.4
373.18292	1.4
373.22733	1.0
374.06125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07961	0.6
59.01250	2.9
59.92215	0.5
63.09757	0.5
71.58366	0.5
74.98389	0.5
81.03346	0.7
83.01247	1.2
91.01785	0.8
95.01260	1.9
96.95900	2.9
102.66997	0.5
107.01284	1.2
107.04910	1.6
108.02096	0.7
111.00745	3.8
115.91960	2.5
119.01273	4.6
121.02843	0.6
123.00776	10.7
124.01563	9.5
125.02279	0.5
135.00757	3.0
135.04411	0.5
136.01482	0.9
137.02310	0.9
138.03163	0.7
139.00259	1.4
147.00787	13.3
151.03934	4.8
152.01054	1.3
164.01013	1.4
167.03484	2.7
174.93317	1.9
179.03426	66.5
180.03731	3.3
194.02182	6.2
195.02924	100.0
196.03287	4.3
202.96579	0.5
208.92949	0.8
209.04460	0.9
273.07581	0.7
313.03494	0.9
341.02753	0.8
345.06009	3.3
359.95670	0.7
373.05869	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	371.2434
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.26123	0.6
53.42695	0.6
59.01248	100.0
60.01585	1.4
61.98699	0.9
69.81813	0.7
71.01260	1.0
71.57117	0.9
79.31696	0.8
87.00773	1.2
92.21232	0.7
93.80836	0.7
96.95891	1.8
99.08062	0.9
113.09594	1.3
154.35551	0.9
167.14388	0.8
181.12283	3.9
183.13843	6.3
187.07510	0.9
192.13322	0.7
193.12308	2.4
193.86812	0.8
207.28954	0.8
211.13332	46.8
212.13673	2.6
221.15628	0.9
274.08438	1.0
287.36127	1.0
293.18369	0.7
293.21228	3.5
311.22241	28.7
312.22598	2.7
329.23199	5.1
371.24356	60.4
372.24728	5.8
390.40488	0.8
392.49179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.8
57.03324	8.7
58.00457	2.5
59.01249	65.2
66.23248	0.5
68.68753	0.6
68.99687	0.8
69.03307	2.4
71.01250	100.0
71.07440	0.7
71.07773	1.1
72.01591	1.2
72.99182	5.7
73.02814	30.6
75.00747	1.1
79.95606	3.3
83.01249	14.1
84.02063	1.2
85.02819	43.4
85.36598	0.5
85.99944	0.8
86.03165	0.8
87.00748	7.0
89.02315	26.6
91.11336	0.6
95.01268	6.9
95.95103	9.3
96.95885	85.1
97.02834	2.8
99.00748	14.0
101.02318	84.4
102.02657	1.7
111.00764	1.0
113.02326	43.6
114.02650	0.7
119.03387	9.5
119.66689	0.5
120.03734	0.6
125.02322	2.2
129.01834	2.0
131.03380	1.1
137.09604	1.7
143.03391	5.4
152.01656	0.6
159.02888	11.1
161.04459	51.9
162.04797	1.5
179.05588	1.3
205.03503	1.4
209.15407	8.1
211.77808	0.6
247.09518	0.9
265.39120	0.5
291.08701	2.4
338.04678	0.9
371.04263	4.4
371.20728	42.8
372.21005	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.7
57.03323	7.1
58.00459	3.1
58.38721	0.5
59.01249	67.4
60.01583	0.7
65.31039	0.5
69.03315	0.9
71.01251	100.0
71.58685	0.9
72.01588	1.5
72.99178	4.1
73.02818	33.0
75.00745	1.9
79.52083	0.7
79.77355	0.5
83.01255	15.3
84.02032	0.8
85.02821	48.1
85.99979	1.4
87.00748	4.8
88.95464	0.6
89.02314	28.8
93.18939	0.6
95.01248	6.5
96.95885	2.5
97.02827	2.3
99.00760	14.8
100.01109	0.6
101.02319	85.0
102.02679	1.8
102.98478	0.9
108.50581	0.5
111.00770	1.6
113.02326	43.5
114.02657	1.4
119.03381	9.6
120.99540	2.8
123.08041	0.7
125.02330	2.0
129.01843	1.9
131.03380	1.9
137.09621	1.4
139.00299	0.6
143.03371	5.3
159.02905	10.2
161.04462	48.4
162.04822	2.1
179.05481	1.3
196.47597	0.5
205.03554	1.5
209.15405	10.3
326.71548	0.5
361.26749	0.6
371.20709	42.7
372.21030	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79259	0.7
59.01251	100.0
66.13301	0.8
66.60415	0.6
71.01260	8.3
71.80447	0.9
72.84367	0.7
73.02829	3.8
79.95612	0.7
83.01284	0.9
85.02829	2.1
87.00805	0.9
89.02339	2.2
92.95181	0.6
96.95888	11.9
98.19800	2.1
101.02319	5.0
113.02342	3.4
119.03415	1.6
130.08624	0.9
141.01685	0.9
161.04562	1.6
168.02872	1.3
191.10870	1.6
217.64722	0.7
221.27620	0.8
329.16150	0.9
371.17908	1.1
371.23260	2.2
372.09659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.4
67.35392	0.6
71.01241	1.5
71.12740	1.9
74.98972	2.5
75.00735	0.8
75.16573	0.6
76.78573	0.6
77.34974	0.6
81.03339	0.7
87.00749	2.2
90.97002	3.0
94.66879	0.7
96.95865	3.7
111.58778	0.7
118.96545	1.3
132.98071	7.3
134.06038	1.3
136.99045	1.8
138.40800	0.7
158.84576	0.8
160.97577	1.3
174.99164	28.6
183.13814	2.1
186.99168	1.3
195.13821	4.0
213.14917	5.4
214.06317	1.1
215.02318	1.1
215.07014	1.1
229.03923	1.0
229.08559	1.1
231.05490	0.8
243.05476	1.7
263.05954	1.0
265.07648	1.3
267.09119	1.6
269.10614	2.4
274.08496	1.1
277.07501	1.0
281.10596	1.2
283.08643	3.1
295.08795	0.7
297.10214	12.0
299.08478	1.6
299.11743	26.9
300.11954	1.5
309.10190	2.7
311.11746	100.0
312.12100	8.8
341.09122	1.9
343.10715	6.3
355.10864	4.4
371.14954	2.1
371.24329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01482	0.3
55.01777	0.3
59.01249	100.0
60.01595	1.0
69.03333	0.4
71.01262	2.5
71.58225	0.5
73.02835	1.0
85.02853	1.3
87.00772	1.4
89.02352	0.9
96.95884	4.4
99.00768	0.7
101.02325	1.3
107.04904	16.4
107.55032	0.4
108.05289	0.6
113.02357	1.5
120.99561	0.6
283.13721	0.9
311.12759	0.6
327.09848	0.5
327.15903	0.4
333.67615	0.4
341.10577	0.5
371.14902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64177	0.8
59.01250	10.0
68.05605	0.8
69.03336	1.3
71.01247	3.1
71.58566	1.0
79.95612	5.2
85.02811	1.3
87.00739	1.0
89.02314	1.1
93.03348	1.1
95.95116	7.0
96.95895	100.0
101.02340	2.0
103.00251	0.9
113.02361	1.4
119.03442	0.8
120.99547	42.2
133.02858	1.4
134.03598	1.2
135.04399	3.0
149.06029	0.8
168.66824	0.7
176.54044	1.1
179.03413	1.6
191.05594	1.2
229.08580	1.1
247.09726	1.0
271.28107	0.8
296.48703	0.8
327.08441	0.9
347.37112	0.8
355.04764	0.8
371.04434	6.4
371.15265	6.3
371.24240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1133
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
57.03307	1.3
59.01253	6.3
74.51352	1.3
95.37137	1.1
96.95879	25.0
98.20576	2.5
102.98468	3.9
108.02039	4.2
119.04906	19.0
120.99525	8.6
121.02874	3.0
121.92187	1.2
122.03585	1.3
123.04434	3.3
133.02831	1.4
133.06438	1.7
134.03575	1.6
135.04460	2.3
137.02306	2.2
142.11603	1.1
145.02843	2.7
146.03621	1.9
147.04405	54.3
148.05196	48.1
149.02298	3.0
149.05626	1.4
150.03108	6.0
151.03970	6.1
153.05455	1.5
160.05188	2.9
160.10376	1.1
161.05972	12.2
162.03116	9.7
162.06737	4.4
163.03868	3.9
163.07515	1.9
164.04651	3.4
165.05409	1.6
174.03093	3.4
175.03870	2.6
176.04735	14.3
179.03578	1.5
180.04163	8.3
189.05450	6.6
190.06287	3.5
191.03424	98.2
191.07053	92.7
192.04070	12.8
192.07317	5.9
193.04849	1.2
194.05783	11.2
203.07034	2.1
206.05757	15.1
207.08090	2.4
209.06049	2.6
220.03691	20.9
222.06784	1.4
223.07466	2.9
224.03209	15.5
233.04408	11.1
234.05179	7.3
235.06029	40.3
236.06311	1.9
237.05553	1.6
238.04755	41.7
239.05008	1.7
239.07162	4.0
247.06148	2.3
249.05582	2.5
250.06404	1.7
251.07051	8.6
258.73514	1.5
263.07147	3.5
265.08685	2.3
267.06573	16.3
268.07352	14.2
269.07684	1.4
279.06592	11.9
282.08920	6.7
283.09641	6.2
284.10428	1.9
294.05597	2.4
294.08960	7.8
295.06113	2.6
296.06543	1.8
297.11191	2.5
299.12820	4.8
309.07669	6.4
309.11200	1.9
310.08359	2.1
312.06424	3.5
313.06879	1.6
321.07532	1.7
322.08456	2.5
323.05579	9.7
324.05505	1.4
326.08017	1.8
327.08664	10.9
327.12396	18.5
338.07858	11.4
339.08499	1.9
341.10205	16.4
342.10666	1.6
353.10284	36.6
354.10590	3.7
356.09015	2.7
371.11307	100.0
371.24420	4.0
372.11658	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	371.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48674	0.8
58.82890	0.9
59.01248	7.9
62.03319	0.7
70.85201	0.9
71.01250	2.2
79.95604	6.8
85.02785	1.2
86.85311	0.9
89.35237	0.9
91.30660	0.8
93.03356	2.1
96.95883	72.4
101.02254	0.9
108.02059	3.0
109.02829	63.8
109.99052	0.8
110.03172	1.8
120.99478	1.0
121.02840	5.6
123.04360	1.4
133.02965	0.9
134.03648	0.9
135.04457	1.0
136.01556	22.6
136.14491	0.9
137.02361	1.1
145.02856	6.2
146.03616	2.0
147.04408	1.7
149.02332	2.3
151.03903	33.7
152.04265	1.6
158.03633	3.3
159.04401	12.9
160.05199	45.2
161.02426	1.2
161.05583	1.9
164.04674	2.3
167.10696	1.2
171.10132	1.2
173.05905	1.1
175.03871	2.5
175.07555	29.2
176.04712	1.3
176.07951	1.8
189.05511	2.1
193.04987	2.4
193.06625	1.1
197.05972	1.6
211.07576	2.4
211.13370	1.1
221.06041	2.3
223.07520	1.8
224.04669	1.4
238.06190	1.2
239.07063	18.4
249.05533	3.5
250.06371	6.5
251.06898	1.4
266.05878	3.3
267.06598	100.0
268.06909	8.3
282.08945	75.0
283.09305	5.3
293.21344	1.3
297.11298	70.1
298.11688	6.6
311.22275	3.3
312.09982	10.2
327.12344	89.5
328.12704	9.0
329.23196	1.4
341.74908	1.1
353.22916	1.0
371.11276	11.8
371.15414	1.5
371.24326	3.3
372.11655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42238	2.0
53.65575	2.2
59.01242	3.8
69.10625	2.4
69.47331	4.7
69.47749	13.6
79.05384	4.4
86.79104	2.2
96.95888	28.2
101.56977	2.4
116.87418	2.0
123.04404	100.0
124.04755	3.3
128.52177	2.3
131.57042	2.1
138.92984	2.1
158.85536	2.5
166.01184	2.3
167.03387	11.2
167.07027	4.8
174.43996	2.2
187.92711	2.8
277.18756	2.2
320.80518	2.5
371.04398	4.6
380.78088	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29141	0.2
57.03327	0.9
59.01252	2.5
65.00191	0.7
67.01774	0.2
69.03328	0.2
71.01264	0.5
71.07289	0.3
73.02843	0.2
79.95608	1.8
80.02544	0.3
81.03330	5.2
83.01254	2.9
93.03316	0.3
95.01294	0.2
95.04908	0.8
96.95889	7.5
99.04402	0.3
101.02338	0.3
107.01262	0.8
108.02098	0.2
109.02831	0.2
121.02831	0.5
123.04411	32.9
124.04747	1.3
125.02338	6.2
130.08626	0.6
135.04471	0.4
139.03922	0.4
149.02374	0.8
149.05977	0.2
151.00291	1.8
163.03931	0.6
165.09163	0.2
166.02596	0.2
167.03412	100.0
168.03757	4.1
179.01761	0.1
179.03519	0.2
191.03473	0.6
191.05550	0.2
199.18144	0.2
209.04515	1.4
243.39500	0.2
249.06088	0.2
371.09537	0.4
371.17786	0.2
371.23026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	33.4
60.99181	5.2
67.01763	5.5
70.87197	12.3
70.87518	6.3
71.01257	20.9
73.02821	11.6
79.95619	10.6
85.02818	9.8
87.00763	17.0
93.03320	42.4
96.95895	89.3
101.02356	10.5
107.04916	8.6
111.04381	7.0
113.02342	8.1
121.02834	34.2
123.04428	66.9
125.02325	5.2
135.04387	13.2
135.60703	5.6
149.02368	12.3
150.03174	39.7
151.03799	5.8
152.01064	14.3
165.05519	57.9
167.03392	56.3
167.07045	7.4
173.04469	33.6
179.03342	6.4
191.05540	100.0
191.07204	4.3
197.04465	43.7
209.04430	15.3
263.73047	5.8
371.04465	24.9
371.09808	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58160	0.7
57.03308	1.8
59.01241	8.1
60.12143	0.6
67.01758	0.9
71.01244	7.1
71.57805	0.9
72.99170	1.7
73.02835	1.1
75.00740	6.6
76.86305	0.7
79.95604	60.0
81.03323	4.7
83.01254	3.0
83.04894	1.2
85.02810	8.6
87.00749	2.1
89.02317	1.5
93.03326	1.4
95.01257	2.8
96.95885	99.7
97.86412	0.8
99.00749	4.4
103.00232	1.3
113.02309	6.8
115.00235	1.1
117.01818	1.5
121.02837	34.6
122.03188	1.3
123.04404	28.7
124.04791	1.0
125.02323	5.8
129.01811	0.8
130.08556	1.1
151.00224	1.6
161.19420	0.7
167.03404	100.0
168.03748	5.2
188.30440	0.8
206.45430	0.7
209.04469	1.5
231.05107	1.8
249.06137	22.4
250.06454	1.0
256.98062	0.9
342.40820	0.8
371.09796	13.5
371.23233	1.5
371.89099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00464	0.4
59.01241	3.4
59.38470	0.4
67.63718	0.4
69.50929	3.7
71.01263	0.6
74.46662	0.4
79.95628	0.9
92.89699	0.4
93.03347	0.5
96.95885	10.8
101.02325	0.6
108.02048	3.9
109.02836	14.5
109.15983	0.5
115.05457	0.6
119.04911	1.4
120.99554	2.5
121.02855	1.1
123.04430	1.2
129.03365	0.8
130.08669	0.7
131.04941	0.6
133.02908	0.6
134.03682	0.5
136.01563	1.6
145.02846	1.9
146.03630	14.5
147.04419	10.8
148.04857	0.6
151.03940	1.7
158.03635	4.1
159.04419	16.8
160.04840	0.6
161.02444	0.7
161.05949	0.5
173.02357	0.5
173.19254	0.4
174.03120	1.5
175.03938	12.1
198.06831	0.6
205.04941	0.5
211.07501	2.3
219.02876	1.2
225.05507	1.3
239.07076	4.2
240.07787	1.0
249.05527	0.5
251.07108	1.2
252.07941	1.4
267.06592	7.7
268.07385	68.8
269.07684	5.3
283.09738	100.0
284.03323	1.1
284.10089	9.0
327.08698	6.5
327.19257	0.6
328.09195	0.5
349.23050	0.5
371.04211	2.1
371.15262	0.6
371.24005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62947	0.4
57.03344	0.9
59.01250	6.3
59.84081	0.3
61.98715	0.5
71.01286	1.3
71.57570	0.8
89.02322	2.2
91.03878	10.6
91.88000	0.4
99.08064	0.4
102.72090	0.4
109.06464	0.6
113.09615	2.0
139.07542	0.6
151.07602	1.3
164.08304	0.7
166.90971	0.7
170.05746	4.2
170.07036	0.5
171.10146	3.6
179.14343	0.9
181.12347	0.4
186.47253	0.4
188.12111	0.4
192.95901	0.4
194.95528	0.6
195.13823	13.6
195.15540	0.7
196.14178	1.0
210.92880	0.8
233.19048	1.4
249.18591	0.8
251.20183	1.8
252.60068	0.4
259.17136	0.4
277.18106	100.0
277.21622	15.4
278.18457	10.0
278.21957	1.7
295.19162	59.3
295.22775	96.9
296.19504	4.7
296.23129	9.3
311.22040	0.5
333.20596	0.9
369.22784	79.6
370.23080	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	369.3008
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
52.64286	1.1
53.47383	1.4
62.39425	1.3
62.92094	1.2
71.58302	1.2
71.58700	1.8
71.59061	1.3
87.00756	2.5
105.01840	1.5
107.48402	1.2
130.58029	1.2
138.99820	1.1
185.72340	1.4
243.78207	1.2
281.24881	2.1
307.30066	58.0
308.30371	4.0
311.16837	1.7
325.31232	1.8
351.29016	16.9
369.30072	100.0
370.30472	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	371.0768
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.50328	0.3
58.00124	0.3
59.01244	3.6
71.01232	0.4
71.57055	0.4
96.95918	1.0
121.02840	100.0
122.03169	3.4
135.04515	0.5
149.02347	0.5
159.90358	0.3
179.03409	11.0
180.03857	0.5
181.06552	0.6
187.07643	0.4
197.06081	0.6
200.28067	0.4
225.05469	0.6
247.16022	0.4
278.26053	0.4
371.07697	10.1
371.18329	0.5
372.08029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96091	0.4
57.03315	0.7
59.01250	5.9
63.25286	0.4
69.44113	1.3
69.44541	2.5
71.01299	1.2
89.02316	2.9
89.94505	0.5
91.03877	10.1
101.02350	0.4
113.09639	2.1
114.44678	0.4
150.46393	0.4
151.07613	1.5
164.08395	0.9
166.90987	0.7
170.05785	3.6
171.10144	3.0
177.12892	0.7
179.14375	1.1
181.12212	0.8
194.95456	0.5
195.13840	13.3
195.15508	0.7
196.14157	0.6
210.89990	0.8
233.19150	1.4
251.20135	2.2
275.20227	0.5
277.18115	99.2
277.21667	16.6
278.18472	10.0
278.22079	1.8
295.19199	54.3
295.22806	100.0
296.19516	4.9
296.23163	9.2
311.22406	0.6
333.20474	1.2
369.22797	72.2
370.18561	0.7
370.23117	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	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96091	0.4
57.03315	0.7
59.01250	5.9
63.25286	0.4
69.44113	1.3
69.44541	2.5
71.01299	1.2
89.02316	2.9
89.94505	0.5
91.03877	10.1
101.02350	0.4
113.09639	2.1
114.44678	0.4
150.46393	0.4
151.07613	1.5
164.08395	0.9
166.90987	0.7
170.05785	3.6
171.10144	3.0
177.12892	0.7
179.14375	1.1
181.12212	0.8
194.95456	0.5
195.13840	13.3
195.15508	0.7
196.14157	0.6
210.89990	0.8
233.19150	1.4
251.20135	2.2
275.20227	0.5
277.18115	99.2
277.21667	16.6
278.18472	10.0
278.22079	1.8
295.19199	54.3
295.22806	100.0
296.19516	4.9
296.23163	9.2
311.22406	0.6
333.20474	1.2
369.22797	72.2
370.18561	0.7
370.23117	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	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
59.01253	100.0
61.98697	2.2
71.01260	2.5
71.58003	1.7
71.58409	1.6
73.02819	1.2
76.07672	1.0
81.42809	1.3
85.02801	1.8
87.04407	1.7
87.48649	1.0
92.97959	1.0
166.90923	5.9
181.12294	2.8
183.13809	7.0
193.12305	1.7
194.95528	2.5
197.11781	6.2
197.15466	1.4
198.94124	1.3
199.00598	1.4
210.89960	6.2
210.92909	1.6
211.11461	2.5
211.13351	37.1
212.13634	2.2
217.00261	1.8
227.16446	1.9
237.14796	1.9
239.16364	1.5
249.14682	2.6
269.21146	5.0
277.17786	4.5
278.15039	2.7
285.20673	4.8
287.22281	50.0
288.22665	5.5
291.19760	4.1
307.18982	7.6
309.20691	34.3
310.21066	3.1
327.21515	3.6
339.16599	3.2
353.19397	2.2
369.17761	4.8
369.22745	40.9
370.23123	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	369.1813
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
57.03320	1.3
58.00469	2.0
59.01254	12.9
59.71940	1.1
61.98724	1.4
70.16104	6.0
71.01266	1.6
75.00761	1.7
84.40726	1.1
84.82723	1.1
85.02808	1.6
92.92770	1.7
92.93321	1.2
125.09634	4.1
127.07571	1.8
127.11172	4.9
127.12051	1.3
137.09634	1.8
139.11275	1.5
150.73233	1.7
151.78261	1.4
155.10750	3.2
165.09119	1.6
166.90891	6.8
171.10205	7.3
181.87991	1.3
183.13832	5.5
190.39297	1.3
193.08424	2.4
194.95583	3.6
201.11266	39.8
201.67203	1.3
202.11586	1.4
210.90021	3.0
210.92799	2.2
217.00230	1.3
223.09515	5.2
241.09355	4.3
259.06192	2.1
263.12726	1.6
275.20184	3.1
291.19852	2.9
293.21326	2.6
311.22256	52.3
312.22733	4.0
331.19012	3.0
333.20514	10.0
334.20676	1.6
348.34140	1.3
369.18079	100.0
370.18478	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	369.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30165	0.6
57.03323	2.2
59.01245	12.6
61.98694	0.7
69.85199	3.9
71.01249	1.5
73.02800	0.8
87.04372	3.6
93.43042	0.6
98.19798	0.8
166.90965	1.7
181.15944	0.9
197.15378	5.5
199.16934	3.7
205.08223	0.7
210.90004	1.2
210.92729	0.7
211.13322	0.9
217.12036	2.0
227.16441	1.8
233.11504	0.9
237.14696	6.0
239.16196	4.3
249.11044	1.5
249.14685	10.6
249.17282	0.8
249.18227	0.8
250.15038	0.9
251.12631	1.2
269.21179	10.2
270.21402	0.9
277.17831	17.8
278.15094	9.9
278.18243	1.8
279.15540	1.7
279.19363	1.7
281.13654	4.1
283.15244	3.3
285.20660	5.2
287.22229	100.0
288.22580	8.1
289.17889	1.8
291.19504	1.5
305.16599	0.8
307.18918	19.2
308.19330	0.9
309.20477	97.9
310.20898	9.3
313.17981	0.9
327.20081	1.5
339.16516	6.2
340.16763	0.9
341.17987	1.0
353.19247	2.8
369.16772	2.6
369.21585	4.3
370.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
59.01248	9.8
62.49865	1.4
66.24067	1.5
71.01256	2.2
71.38425	3.0
73.29910	1.3
125.09607	1.7
139.11177	9.2
166.90999	4.6
171.10170	26.0
183.10182	1.6
185.11803	3.9
190.57204	1.7
193.08400	5.1
194.95482	2.2
201.11269	3.1
210.90012	4.8
210.92703	2.6
223.71373	1.5
229.04898	11.5
230.05206	1.9
233.09731	1.5
243.06413	3.5
251.23746	2.4
254.54407	1.7
293.21097	7.3
311.22278	31.4
312.22894	1.7
344.68890	1.8
369.18112	100.0
370.18597	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	369.1814
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
57.03307	1.9
59.01248	9.8
62.49865	1.4
66.24067	1.5
71.01256	2.2
71.38425	3.0
73.29910	1.3
125.09607	1.7
139.11177	9.2
166.90999	4.6
171.10170	26.0
183.10182	1.6
185.11803	3.9
190.57204	1.7
193.08400	5.1
194.95482	2.2
201.11269	3.1
210.90012	4.8
210.92703	2.6
223.71373	1.5
229.04898	11.5
230.05206	1.9
233.09731	1.5
243.06413	3.5
251.23746	2.4
254.54407	1.7
293.21097	7.3
311.22278	31.4
312.22894	1.7
344.68890	1.8
369.18112	100.0
370.18597	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	369.1813
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
55.18736	1.0
57.03313	1.6
59.01243	6.7
67.28050	1.1
68.62644	0.9
71.01235	1.2
78.66025	0.9
83.04893	1.5
95.04896	2.8
96.95911	2.8
97.06448	11.0
99.08024	3.0
109.06486	2.0
111.08059	1.7
121.02816	1.3
125.06004	1.9
127.07518	2.0
137.05952	2.5
141.05539	1.0
143.07028	18.2
146.27971	0.9
149.13289	3.2
155.07065	3.7
157.08598	3.1
166.90997	3.8
172.98552	2.3
173.08122	11.0
177.12785	2.1
177.72566	1.1
192.95735	1.4
194.95564	1.4
195.06331	1.5
197.11815	4.0
201.01653	2.6
210.89987	2.5
211.03299	1.0
217.00363	1.2
271.07709	1.6
275.20291	4.3
287.78461	1.0
293.21213	17.6
294.21432	1.6
305.99423	1.0
309.20795	1.7
311.22281	26.2
312.22769	3.2
315.19427	3.3
351.16257	3.8
369.18091	100.0
370.18311	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.5
58.00456	1.3
59.01249	35.6
63.39173	1.4
69.03313	2.3
69.57413	2.2
69.57821	7.9
71.01245	21.4
72.99163	1.3
79.95601	10.6
80.96378	5.5
85.02831	4.6
87.00776	1.6
89.02312	17.8
94.67944	1.2
95.01279	1.8
95.95112	5.5
96.95882	100.0
101.02308	9.3
109.02828	2.7
113.02330	8.0
119.03381	7.6
143.04915	5.1
144.86911	1.4
145.06487	53.6
146.06879	3.4
163.07552	3.3
179.05576	1.4
185.05884	1.5
189.05495	75.2
190.05815	2.7
190.99899	1.7
199.07588	5.0
215.07245	1.5
227.07056	3.9
239.76814	1.3
245.08122	4.4
261.07733	1.4
271.06113	2.2
289.07239	7.4
369.02710	3.7
393.77017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.3
61.98689	1.5
70.16662	4.4
71.01212	0.9
72.97402	2.4
73.98192	6.9
74.98958	2.8
83.04893	24.7
84.05225	1.3
85.02844	1.1
87.00747	32.3
89.00533	3.8
90.98501	1.2
94.28309	1.0
96.95864	2.0
101.00523	2.2
115.05383	2.0
120.38541	0.9
120.99546	3.6
121.02831	3.0
131.04933	5.0
136.01503	4.7
145.06461	4.1
147.00726	2.4
151.03923	7.4
153.05455	2.3
158.03645	5.1
159.04396	12.7
163.03865	1.0
166.56708	0.9
166.90961	4.0
167.05316	6.1
169.06821	5.2
170.07632	2.2
173.05965	7.6
174.06721	1.1
177.05524	1.2
179.03394	1.6
183.01152	1.2
187.86638	0.9
188.04568	1.1
192.95694	1.0
194.95477	2.1
201.12784	1.2
203.03391	6.9
204.03683	1.1
207.12073	1.5
209.09914	2.8
210.89932	3.3
210.92876	1.1
212.42787	1.1
217.00192	1.1
217.05019	1.1
218.05807	4.6
235.11572	65.3
236.11908	3.9
253.12636	24.2
254.12971	2.3
263.10956	2.4
281.12152	76.1
282.12567	5.5
287.66980	1.2
354.11093	4.3
369.13599	100.0
369.17505	3.9
370.13916	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
57.11771	0.8
59.01255	6.6
65.55093	0.6
71.01263	0.7
71.58681	1.0
74.98611	0.7
87.43832	0.6
88.70959	0.6
91.03915	0.8
105.03815	0.7
113.09604	14.9
120.53964	0.6
139.11183	1.5
158.48862	0.6
167.10725	1.8
171.10205	1.1
179.10730	1.6
192.95795	1.3
195.13811	2.0
217.00235	0.8
249.22263	2.0
256.93912	0.7
265.17990	1.1
292.23444	0.7
293.21222	100.0
294.21588	8.7
352.46884	0.7
367.24756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
50.85711	0.4
51.27765	0.5
58.45617	0.5
58.92083	0.5
59.01252	1.1
59.42120	0.5
70.45028	1.6
71.01241	0.6
79.95589	0.6
87.00758	0.5
88.66252	0.5
96.95889	3.0
108.02048	0.9
136.01532	1.8
152.15567	0.5
163.00273	0.8
164.01073	0.7
184.57060	0.5
190.99803	5.7
192.00566	77.8
193.00891	3.4
206.02118	0.6
207.02922	100.0
208.03258	5.1
369.08298	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	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	48.2
66.50840	1.9
71.01263	3.8
71.58911	3.2
89.02315	2.9
91.03881	13.5
103.91886	2.9
105.48273	2.1
121.02841	8.8
164.93991	3.3
171.10219	4.1
174.99123	5.7
186.95483	2.9
192.95761	22.2
195.13838	7.5
202.98592	6.1
208.93085	15.4
209.04520	4.0
217.00235	12.0
223.13222	4.8
261.10922	2.4
275.17233	2.2
275.20175	8.4
293.21213	100.0
294.21561	9.8
307.10565	2.7
331.18967	2.6
367.03751	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	367.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35390	0.2
59.01250	1.7
63.24287	0.2
68.78857	0.2
69.26334	2.7
71.01237	0.5
72.99163	0.2
96.95891	0.7
101.02299	0.4
113.02296	0.3
116.89077	0.2
120.99535	100.0
121.99945	1.4
124.27728	0.3
173.63731	0.3
177.05489	0.4
192.95808	0.6
208.93044	0.3
217.00359	0.3
222.06842	0.3
238.06465	0.3
241.05017	0.4
249.05455	0.3
250.06335	0.4
266.05856	0.5
277.05008	0.3
278.05823	2.1
279.06488	0.6
281.08475	0.4
291.10056	0.2
292.07260	0.2
294.05319	0.3
306.05396	1.3
307.06055	1.3
307.09210	0.3
308.19540	0.2
320.06744	0.5
321.07645	3.4
322.04709	0.5
322.08304	1.0
335.09143	0.4
336.10025	2.5
337.07199	2.0
337.10767	0.8
338.07379	0.3
350.92191	0.3
352.09485	1.4
367.11740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
53.18381	1.5
57.03316	1.7
59.01252	18.3
59.07253	1.3
69.03326	2.6
69.49383	3.0
69.49786	8.6
74.96063	1.8
94.81586	1.4
96.95880	1.7
119.08585	3.9
121.02851	5.4
125.09643	1.8
137.09616	10.0
156.89482	1.8
159.01372	1.4
164.94066	3.1
167.10666	1.5
171.10191	28.4
174.99149	2.4
185.11700	7.4
192.95760	7.9
193.08469	1.6
197.11797	2.5
201.05177	1.6
201.11282	2.5
202.98697	2.6
207.09923	2.8
208.93059	7.3
213.11269	1.8
217.00214	3.9
229.04832	10.8
239.68636	1.5
243.06543	3.7
273.18793	2.9
291.19641	8.4
293.21509	1.8
309.17319	2.4
309.20734	21.7
313.17847	5.8
331.18094	1.5
367.16531	100.0
368.16864	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	367.1653
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01251	21.0
71.01244	2.5
71.57973	2.5
74.96056	3.0
83.04899	1.8
94.22489	1.5
96.95872	4.2
97.06485	1.5
99.72365	1.6
118.89842	1.5
119.08536	4.5
121.02829	4.9
125.09599	2.7
135.07997	1.7
137.09605	13.6
149.16158	1.7
155.10709	2.0
164.94038	2.7
167.10611	1.9
171.10172	30.0
172.10550	2.2
174.99144	2.2
184.68875	1.5
185.11795	6.1
192.95753	12.2
197.11790	2.3
201.11310	2.6
202.98680	2.5
207.09958	3.8
208.93082	6.8
213.11276	1.7
217.00237	5.8
229.04785	9.8
291.19684	11.4
307.10257	2.5
309.17227	3.1
309.20697	22.5
310.21121	2.2
313.17749	5.0
331.17874	1.9
342.99918	1.6
349.15250	1.7
367.16541	100.0
368.16791	9.4
387.02673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
55.01738	0.4
57.03337	0.7
59.01239	2.7
60.99158	1.6
65.31998	0.5
67.01759	4.3
69.03333	1.3
69.25630	5.1
71.01253	2.6
81.03310	0.6
85.02818	4.1
87.00753	6.2
93.03332	26.5
96.95876	0.9
99.00714	0.5
104.45544	0.5
111.04398	3.8
113.02320	0.7
117.03333	0.9
119.04913	0.8
126.83228	0.4
127.03900	1.1
129.01801	0.5
134.03622	12.1
135.03914	0.7
137.02322	0.7
148.23811	0.4
149.02339	0.5
149.06024	0.9
155.03354	1.6
157.38760	0.5
158.23337	0.4
163.03938	0.6
173.04468	22.8
174.04819	0.9
175.03912	0.7
191.05528	100.0
192.05876	4.4
193.04988	6.3
257.80774	0.5
316.77454	0.5
367.10342	4.5
368.10651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01239	1.4
59.82886	0.3
69.40632	2.6
69.41047	0.7
74.62678	0.3
74.97157	0.4
85.06459	2.5
96.79261	0.3
110.61555	0.3
159.09789	0.3
199.13341	1.3
204.70113	0.4
207.12282	0.3
261.18585	0.8
279.19662	17.9
280.20004	2.2
283.26401	0.4
347.25903	6.8
348.26175	1.1
350.56662	0.4
363.25360	1.1
365.26947	100.0
366.27283	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	365.2694
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
52.67290	0.6
59.01254	11.2
65.19352	0.7
71.55054	1.2
83.11571	0.7
89.02311	0.8
90.00797	0.7
109.52977	0.8
139.54837	0.7
165.12743	3.1
181.12326	1.8
190.09372	0.7
199.13335	30.4
200.13626	1.6
201.02512	1.1
214.65982	0.8
283.26437	1.1
312.63904	0.8
333.43152	0.8
347.25809	4.9
363.25769	0.9
365.26938	100.0
366.27298	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	366.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.0
67.03985	0.5
68.91143	0.5
69.57940	1.7
69.58374	1.9
72.65472	0.5
96.95905	0.8
98.97023	0.5
102.03395	0.7
104.04916	0.9
112.96634	0.5
112.97599	0.5
113.08379	0.6
118.02850	0.6
120.04400	1.4
132.04453	2.3
146.06023	4.5
148.07578	50.6
149.07916	2.2
171.10158	5.4
192.06616	0.6
195.13835	0.6
201.82506	0.6
202.92780	0.5
208.93025	1.0
213.14922	0.7
233.19005	0.9
309.17459	1.1
366.24338	100.0
367.03650	0.5
367.24680	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60577	0.4
59.01250	100.0
60.01596	1.5
62.52715	0.5
63.71363	0.4
69.47557	4.1
70.19014	0.5
73.94764	0.5
78.95790	0.5
79.95609	1.3
84.67364	0.5
95.78416	0.5
96.95887	16.1
96.96494	0.8
98.20508	1.1
98.95499	1.6
102.69067	0.6
105.58252	0.5
117.38283	0.5
122.11852	0.5
181.93568	0.5
330.17053	0.5
365.06500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04612	1.1
59.01244	28.3
71.01254	2.0
71.04887	21.4
71.59105	1.3
85.02851	1.2
91.03886	1.3
96.95850	2.2
97.06458	5.8
145.91162	1.2
160.55756	1.2
190.96352	1.6
192.95901	1.1
195.93825	1.3
201.02493	8.2
207.13829	1.7
219.13823	4.4
235.17007	3.6
247.20804	1.7
266.90253	1.3
291.19632	100.0
292.20038	9.1
299.16467	2.5
314.50403	1.1
329.17438	2.3
365.23199	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54369	0.8
57.03321	1.5
59.00953	0.9
59.01249	15.6
61.08177	0.9
62.72370	0.8
63.88821	0.8
66.83930	0.9
71.01276	0.8
73.02804	1.0
85.02840	0.9
91.03861	1.1
93.06995	1.2
96.95905	2.0
97.06478	1.6
109.09396	1.1
113.02288	1.0
121.10109	10.5
123.08007	1.1
125.09610	6.1
141.12714	1.0
147.08049	1.6
185.11757	13.2
197.11771	3.5
201.02484	3.4
209.11789	2.0
211.13193	1.0
224.91858	0.9
232.97440	1.1
247.20593	0.9
273.18530	1.8
291.19647	100.0
292.19940	10.4
365.23233	1.9
365.27136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
59.01254	15.4
67.78675	0.8
71.01250	8.6
71.58187	1.6
72.99180	0.8
73.02827	3.1
79.95627	2.9
83.01249	3.4
85.02838	6.0
87.00764	1.7
89.02327	1.1
92.20596	0.8
96.95897	15.3
99.00745	2.1
101.02327	11.3
111.00753	1.2
113.02303	3.6
119.03394	1.0
120.40032	0.8
157.12228	3.3
179.03487	0.9
203.12856	8.2
239.95160	0.9
249.75136	0.9
285.04071	0.9
325.08228	1.6
342.16235	0.9
365.18146	100.0
366.18570	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11280	0.4
59.01249	100.0
60.01584	1.0
60.97926	0.4
67.16874	0.4
70.14038	1.9
96.95892	1.5
98.19879	0.6
119.04902	3.5
135.04402	1.3
161.02412	0.5
178.02658	0.5
179.03430	1.0
199.00650	1.0
204.97585	0.5
215.00273	0.7
215.68649	0.5
221.27248	0.4
261.11377	0.4
265.17941	0.5
290.85464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84481	0.8
59.01246	100.0
60.01577	1.6
67.56358	0.8
69.03284	1.0
78.48961	0.8
79.95613	5.5
85.02765	0.7
88.05913	0.8
90.81613	0.8
96.95882	49.3
98.70049	0.7
98.95461	3.2
103.00216	0.8
120.99545	1.2
126.31887	0.8
130.47992	0.8
135.04404	1.1
179.03389	0.8
247.00670	1.2
261.11316	0.8
295.32770	0.9
307.04968	2.3
325.08350	2.0
332.07800	0.8
365.06125	2.8
365.19675	6.0
366.06186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.1
57.03324	1.4
59.01247	100.0
60.01582	1.3
67.26335	0.7
69.49114	1.2
69.49525	3.8
71.01250	9.2
72.99190	0.7
73.02806	3.4
79.95587	3.3
83.01268	2.6
85.02826	5.8
87.00813	0.6
89.02326	1.2
90.78613	0.7
95.01247	0.9
96.95884	53.7
98.20494	1.4
99.00772	1.3
101.02301	6.5
106.04122	1.1
113.02323	2.9
120.99500	4.4
122.80243	0.6
156.03104	0.6
159.02936	0.6
161.04424	3.4
173.02165	1.0
182.95947	0.7
188.99535	0.8
211.06476	0.6
269.04675	0.9
294.04013	9.0
294.06992	0.7
321.05353	1.0
321.19073	7.5
323.79468	0.7
324.07529	1.0
363.19376	0.8
364.05579	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13303	0.3
52.39177	0.3
59.01247	100.0
60.01583	1.2
71.01241	0.4
74.74085	0.3
79.95596	1.7
96.95885	16.4
98.19827	0.8
98.95481	1.4
108.26479	0.3
135.04401	0.3
138.76497	0.3
284.03226	0.4
348.04779	0.3
365.06232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01253	100.0
60.01582	1.0
63.22852	0.6
68.28590	0.6
71.01252	5.1
71.58712	1.0
73.02823	1.9
79.63834	0.6
79.95620	4.0
83.01270	1.2
85.02847	1.9
89.02320	0.9
95.01231	0.8
95.95135	0.9
96.95895	55.1
101.02325	4.1
113.02338	1.9
135.49428	0.7
139.11183	0.7
160.51772	0.7
161.04514	1.7
173.09689	0.9
194.02052	0.7
201.11269	1.2
211.26263	0.9
275.82397	0.7
302.07983	0.7
321.19327	2.6
324.07678	1.1
355.58566	0.7
363.17993	4.5
363.23141	4.8
364.05399	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01253	100.0
60.01582	1.0
63.22852	0.6
68.28590	0.6
71.01252	5.1
71.58712	1.0
73.02823	1.9
79.63834	0.6
79.95620	4.0
83.01270	1.2
85.02847	1.9
89.02320	0.9
95.01231	0.8
95.95135	0.9
96.95895	55.1
101.02325	4.1
113.02338	1.9
135.49428	0.7
139.11183	0.7
160.51772	0.7
161.04514	1.7
173.09689	0.9
194.02052	0.7
201.11269	1.2
211.26263	0.9
275.82397	0.7
302.07983	0.7
321.19327	2.6
324.07678	1.1
355.58566	0.7
363.17993	4.5
363.23141	4.8
364.05399	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36478	1.3
57.03324	8.3
59.01242	6.2
60.54006	1.1
63.48458	1.2
69.35212	6.8
69.35625	3.8
79.95596	3.4
83.04891	15.4
85.06448	2.4
96.95881	37.1
96.96832	2.0
120.99487	1.8
127.14331	1.2
131.62791	1.2
133.79097	1.1
159.11690	1.3
166.89368	1.4
182.95793	1.4
186.07048	1.3
243.17493	7.6
245.19063	23.7
275.20114	9.4
289.18112	18.7
290.18494	1.5
291.19717	2.1
319.19086	45.4
320.19537	5.2
345.16962	1.7
346.91165	1.2
363.18085	100.0
364.18353	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	363.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31024	0.6
52.98718	0.7
57.03310	1.8
59.01249	6.9
71.01250	1.5
71.57271	0.8
79.95589	1.3
83.04877	2.4
85.02820	2.2
85.06454	1.1
96.95891	13.1
97.02822	1.0
99.21350	0.7
101.02297	0.8
101.50304	0.8
104.16254	0.7
108.27240	0.7
109.46492	0.7
113.02338	0.8
125.02488	0.6
125.09612	1.3
147.86617	0.6
201.11320	1.1
203.14224	0.9
229.15790	0.8
243.17560	4.3
245.18993	2.1
246.19553	0.7
271.17044	8.1
272.17624	0.7
280.32162	0.7
289.18079	30.8
290.18405	3.6
315.16000	2.5
319.19189	2.1
333.16922	1.8
345.16940	3.5
363.18097	100.0
364.18399	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66149	0.6
57.03315	2.3
58.00457	2.3
59.01249	37.4
69.03325	1.7
69.93677	2.5
69.94094	1.4
71.01248	21.4
71.04879	1.5
72.99168	4.5
73.02810	1.6
83.01242	0.8
85.02822	5.0
85.06477	1.0
87.00730	1.2
89.02312	17.3
95.01252	1.6
96.95861	1.3
98.20528	0.7
101.02318	12.7
102.12513	0.7
102.61673	0.7
103.94582	0.7
107.08546	2.4
108.43996	0.8
111.06369	0.6
113.02338	6.7
119.03394	7.0
121.10112	2.1
123.03124	1.5
125.86683	0.6
131.03430	0.7
136.07552	2.6
138.05496	6.9
139.11143	1.8
140.07039	2.5
141.07381	1.4
143.03394	0.9
155.10643	1.7
161.04431	1.0
179.05515	1.6
182.08142	0.9
183.10175	50.1
184.10501	2.0
201.11227	15.5
202.11563	1.0
227.08221	2.4
242.10512	1.9
257.12924	14.8
317.80396	0.7
345.10873	2.2
363.16577	100.0
364.16956	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59866	0.4
55.01748	1.3
57.03318	1.2
59.01249	12.6
59.83641	0.4
61.66278	0.3
69.65311	2.7
71.01250	10.2
72.99178	15.4
73.02814	4.5
75.00756	0.4
83.01257	2.8
85.02820	6.1
85.99964	0.7
87.00726	0.9
89.02314	3.3
95.01233	0.8
96.95866	0.5
99.00761	1.4
101.02316	13.6
111.00779	0.8
113.02329	4.5
119.03396	1.3
143.03473	0.4
155.10690	1.0
159.02875	0.4
161.04483	0.4
183.10188	2.5
197.46385	0.4
201.11215	3.8
248.15395	0.4
317.15952	0.7
345.15585	1.4
363.16583	100.0
364.16928	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01592	1.5
61.81732	0.6
69.59851	4.9
71.01253	1.2
72.45665	0.6
85.02835	1.2
98.20522	0.9
113.02327	0.9
188.30408	0.7
363.24039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71167	0.8
59.01250	100.0
60.01571	0.9
69.03323	1.4
71.01258	1.6
71.94806	0.8
73.02836	0.7
76.26197	0.8
76.36206	0.8
79.84099	0.8
81.08816	0.7
84.39188	0.8
89.02324	1.7
96.95879	10.1
98.19732	1.8
101.02301	1.3
119.03318	0.9
160.37830	0.8
280.86282	0.8
363.17029	2.1
364.05460	1.6
385.90417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84003	8.7
54.96713	9.1
59.01246	100.0
71.58504	16.8
85.10390	10.3
90.33159	10.0
158.21063	9.7
164.73708	9.5
165.72969	10.1
170.24562	9.2
174.91220	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99482	0.7
59.01253	100.0
68.38728	0.7
69.26212	7.9
70.26515	0.8
71.01267	2.8
73.02826	1.5
79.95604	1.6
89.74788	0.7
96.95892	29.5
98.19625	1.4
101.02335	1.5
113.02345	1.3
119.03252	0.8
131.03575	0.7
159.69283	0.7
168.74472	0.8
324.07822	0.9
363.23956	2.1
364.05377	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22178	1.1
54.00488	1.0
56.55341	1.2
59.01249	17.9
65.09755	1.3
67.96434	1.1
69.50926	6.1
69.51360	4.1
87.28610	1.3
98.20565	2.0
136.66345	1.5
194.60301	1.2
201.71660	1.2
279.23279	100.0
280.23645	11.2
361.15210	4.7
361.23618	17.9
362.23819	2.1
375.02789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48166	1.3
54.73053	1.3
55.73834	1.3
57.03324	5.2
59.01250	5.8
63.59478	1.4
70.53709	5.4
71.01254	6.1
73.02828	9.0
78.27457	1.3
83.04935	3.5
85.02850	6.4
85.06453	3.4
89.02328	1.8
93.63114	1.5
95.04911	2.2
96.95911	4.2
97.06458	3.7
97.54268	1.4
99.08057	3.4
102.90034	1.6
107.53392	1.6
109.06502	1.9
113.05932	4.0
116.16607	1.7
123.08035	2.3
125.09640	6.0
127.11179	3.8
128.54579	1.5
135.07982	1.5
137.09616	2.8
141.09129	3.6
151.11247	1.9
152.40115	1.5
153.09119	4.1
157.08633	17.6
163.11226	1.8
171.10193	100.0
172.10466	4.1
177.09178	1.6
181.08612	1.7
183.13866	2.6
185.11731	2.8
195.10271	2.5
199.13390	2.0
201.11264	53.7
202.11632	2.0
207.10210	1.9
209.11797	5.9
211.13358	20.0
212.03032	1.6
212.13756	2.2
213.11317	22.1
215.12767	3.4
221.11848	3.1
225.11185	3.1
229.14447	17.8
231.12346	21.5
239.12892	2.0
304.95166	1.5
307.19266	3.2
340.71573	1.7
343.21283	14.7
344.21420	2.2
361.22238	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	361.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49464	8.3
59.01256	100.0
71.01240	11.7
71.19183	24.0
83.04901	12.9
96.95917	43.8
103.91928	25.2
108.53751	11.1
113.52782	10.6
114.09566	8.6
127.19035	11.1
128.44324	9.7
148.95319	11.3
171.10150	23.9
173.00583	11.9
174.99176	28.1
202.92810	31.8
202.98674	38.1
217.00237	42.4
221.15515	25.9
230.60529	10.5
243.17580	10.1
289.17978	11.5
325.20245	82.4
331.15762	12.3
361.16592	53.7
362.17209	20.2
380.16516	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	361.1655
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.01746	1.3
55.84945	0.7
59.01248	11.8
69.03336	0.8
71.01255	6.2
73.02800	1.7
83.01265	1.4
85.02826	3.9
89.00526	0.9
93.03331	3.2
96.95869	3.4
98.20658	1.6
101.02308	4.3
108.02049	2.0
109.02823	10.9
113.02324	2.3
115.98189	0.8
121.02832	38.5
122.03629	25.4
123.04379	3.9
124.01539	3.7
129.03363	2.2
135.04393	3.8
136.05219	2.2
136.50352	0.9
137.02356	4.8
146.03592	1.9
147.04417	14.9
149.05948	2.2
154.02602	4.2
155.10733	0.8
159.04413	1.2
161.05974	5.5
162.06760	1.0
164.04730	2.2
165.05481	42.3
166.05814	1.7
173.06104	0.8
175.07524	1.0
178.06221	1.6
179.07048	15.3
180.07388	1.0
181.12286	1.4
183.13773	0.9
191.05481	1.0
191.07051	1.3
194.27689	0.9
199.13322	3.3
209.08041	0.9
217.59181	0.8
223.09679	2.0
298.12119	1.7
313.14468	1.2
315.12341	6.7
316.12952	1.9
346.14212	11.7
347.14319	1.1
361.16190	100.0
362.16614	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	361.1657
Annotation	Scabrolide C
Peak:m/z	Relative Intensity
51.86032	0.6
57.03326	1.2
69.03317	1.9
83.04896	7.4
85.06438	1.3
96.95891	2.1
102.70995	0.6
104.68240	0.7
141.06998	0.8
155.08623	1.5
187.11174	0.7
191.53545	0.8
241.15926	10.0
242.16397	0.9
243.17540	12.4
244.17998	0.9
269.30908	0.7
273.18619	1.6
287.16544	36.4
288.16919	3.0
317.17596	10.5
318.18079	1.3
331.15683	3.5
360.93878	2.2
361.16577	100.0
362.16858	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	361.1656
Annotation	Humirianthol
Peak:m/z	Relative Intensity
52.27208	0.4
59.01236	1.4
59.58871	0.4
65.03813	0.5
69.03315	2.1
71.21717	1.1
81.18954	0.5
83.04890	6.2
85.06448	1.2
96.95869	0.9
97.86958	0.4
99.92453	2.2
100.90288	0.7
108.74500	0.5
109.02801	0.9
115.91946	2.0
116.92726	1.6
126.03110	0.8
127.03895	0.5
155.08545	1.0
162.52786	0.5
187.11230	0.8
196.14154	0.5
205.12213	2.3
213.16431	0.8
217.12270	0.7
225.16386	0.7
241.15968	2.4
243.17508	16.5
244.17836	1.6
259.17062	0.8
269.15390	0.5
273.02994	0.5
273.18524	1.6
287.16504	18.7
288.16827	1.5
317.17639	6.1
318.17554	0.7
331.15442	2.0
343.15512	0.9
361.03967	1.5
361.16534	100.0
362.03928	0.5
362.16910	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
50.70842	0.6
51.55290	0.6
57.03333	0.9
58.00484	0.6
59.01251	9.7
69.66602	3.6
71.01257	2.0
71.04905	0.8
73.02802	3.5
79.95628	2.4
83.04912	1.9
85.02837	2.3
87.00754	4.5
87.04402	3.1
95.04919	0.6
96.95892	28.5
98.95462	3.4
98.96341	0.9
101.02336	1.6
101.05969	1.1
103.62126	0.5
113.02336	3.0
135.08083	2.4
137.09618	9.9
139.07634	0.8
149.09604	3.1
155.10687	100.0
156.11011	4.3
161.04451	0.7
169.12285	1.0
169.62755	0.6
171.10202	2.5
181.08611	1.4
193.08633	2.1
197.11673	0.7
199.09695	96.8
200.10005	5.1
201.11252	1.4
213.11229	1.1
237.14845	0.6
241.10826	6.2
281.10263	1.4
301.20145	1.7
313.10696	0.7
319.21310	0.7
343.21378	0.7
361.06003	1.9
361.15201	1.0
361.22266	17.2
362.22379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
54.82485	0.7
57.03305	1.7
58.00466	1.6
59.01253	26.8
69.03312	1.2
71.01253	19.8
71.37084	0.9
71.37428	1.5
72.99170	3.4
73.02789	0.8
78.23540	0.8
83.01257	2.0
85.02818	3.3
87.00753	1.7
89.02319	14.2
89.66266	0.7
90.02583	0.9
94.66295	0.9
96.95897	1.6
101.02321	11.8
102.74180	0.7
106.64559	0.7
107.08543	16.2
113.02352	6.1
119.03387	6.4
119.08572	1.9
133.06480	1.0
135.08049	1.1
137.09592	1.3
161.04489	0.7
163.07535	1.7
179.05470	1.4
181.07069	1.5
181.08632	23.5
182.08951	1.2
199.09692	25.6
241.10739	1.1
251.16005	0.7
361.15027	100.0
362.10794	1.0
362.15375	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	361.1504
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
58.00458	2.3
59.01249	100.0
63.37254	1.9
69.51204	6.8
69.51624	7.4
71.01250	50.0
72.99181	3.4
73.02814	40.5
83.01252	14.1
85.02799	9.6
87.00758	5.1
89.02302	14.2
92.81583	1.6
96.91448	1.5
96.95895	19.3
98.95470	9.2
98.96334	1.8
99.00766	2.3
101.02318	38.4
109.02888	1.9
113.02327	11.8
119.03397	6.2
131.03386	2.1
137.02330	3.4
139.07536	26.8
147.04463	3.2
155.03444	1.6
157.08606	3.4
161.04451	3.0
275.15030	3.0
301.13101	12.4
319.13959	35.2
331.87167	1.8
356.86288	2.0
361.15021	89.2
361.21753	11.9
362.15292	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	361.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	12.7
59.01253	7.5
61.68763	0.9
67.40574	0.8
70.02849	1.9
70.45644	0.9
71.01244	1.7
73.02787	1.5
73.35504	1.0
74.02343	20.9
82.02853	7.0
83.01257	3.8
83.04932	1.1
85.02814	2.1
85.03947	1.7
86.06006	1.8
87.02608	2.0
87.05537	1.8
88.06353	1.0
96.00829	1.1
96.03182	1.0
96.04425	13.8
96.95886	2.0
97.03959	11.6
98.02354	8.6
98.19751	2.8
99.05518	19.4
100.00277	3.5
100.03913	1.4
101.02326	2.5
108.04444	12.6
109.03982	2.9
110.02393	3.5
110.06011	1.3
112.03934	15.9
112.07565	12.2
113.02304	1.1
113.03456	9.6
117.66180	1.0
120.04427	1.7
122.06007	5.4
124.03947	12.3
125.03455	5.4
125.04726	7.9
126.05480	4.3
127.05035	16.3
131.05188	1.1
133.06825	20.8
137.07086	8.1
138.05490	3.3
139.08609	1.4
140.07071	23.1
143.04469	5.4
150.04262	2.3
152.03458	5.8
154.05058	1.4
155.08159	39.7
165.06604	28.6
166.05084	2.7
166.06909	1.3
181.06068	1.9
183.07671	65.2
184.08032	1.7
209.05533	2.5
225.05141	4.8
227.06686	100.0
228.06950	3.5
229.30080	1.2
361.14359	16.2
361.22159	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	361.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64683	1.2
58.02842	11.5
59.01246	9.0
60.62000	1.2
70.02847	1.6
71.01248	5.3
71.12100	1.3
71.12448	1.8
73.02813	2.3
74.02344	19.6
80.04897	1.5
82.02856	5.9
83.01248	5.0
83.67885	1.0
85.03967	1.1
86.02380	1.6
86.05959	2.5
87.04387	2.5
87.05503	1.6
89.02289	1.1
96.04422	10.3
96.51472	1.0
96.95856	3.1
97.03948	9.7
98.02352	7.3
99.05518	19.6
100.00267	3.0
101.02321	3.6
108.04434	11.3
109.03955	3.0
110.02355	4.0
110.06007	1.6
111.08022	1.3
112.03928	15.6
112.07558	12.1
113.03433	8.4
121.02862	1.3
122.05970	4.2
124.03948	8.6
125.02423	1.0
125.03428	3.7
125.04758	5.5
126.05490	4.2
127.05013	15.5
133.06812	18.0
137.07097	5.9
138.05466	2.6
140.07054	22.8
143.04521	6.0
150.04282	1.2
152.03412	5.2
155.08145	39.8
155.10742	1.7
165.06596	32.1
166.04947	2.0
178.09258	1.0
181.06110	3.2
183.07666	67.7
184.07973	2.8
196.61314	1.4
205.07162	2.2
209.05565	1.9
225.05098	4.1
227.06679	100.0
228.06993	4.3
229.14247	2.5
234.59662	1.3
294.68796	1.2
358.31085	1.2
361.14417	19.3
361.18503	1.9
361.22241	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	361.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
58.02841	8.5
59.01250	30.9
69.24409	1.8
69.55448	14.4
71.01243	8.9
73.02825	3.3
74.02333	21.2
81.33932	1.9
82.02842	7.1
83.01244	5.9
85.02827	3.0
87.00733	1.8
87.02607	2.3
89.02302	3.3
94.00266	1.9
96.04449	13.3
96.95881	8.3
97.03973	9.9
98.02345	4.8
99.05514	19.4
101.02316	8.0
108.04430	12.7
109.03938	3.7
110.02356	4.2
111.04384	4.2
112.03936	15.0
112.07549	11.2
113.03439	8.1
115.00217	4.1
118.32797	1.8
122.05964	4.9
124.03941	10.1
125.03426	3.9
125.04685	2.2
126.05479	3.4
127.05049	15.6
133.01315	8.4
133.06792	17.3
133.64078	2.1
137.07100	8.6
137.09593	2.8
138.05446	3.0
139.07394	2.5
140.07072	20.0
143.04500	4.5
146.04779	3.1
152.03419	3.4
155.06961	2.5
155.08173	37.2
155.10629	2.8
161.07109	5.0
165.06595	22.4
166.05023	3.8
179.63657	2.4
183.07681	58.1
184.07924	2.0
199.09637	4.4
225.05174	4.5
227.06674	100.0
228.07103	4.0
287.62445	2.0
319.21008	4.0
361.14536	16.5
361.18109	2.5
361.22153	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51778	0.4
59.01250	9.5
69.48129	1.4
69.48548	1.3
71.01241	1.9
73.02811	1.3
83.01234	0.4
85.02807	0.7
89.02344	0.4
96.95889	5.4
98.19846	0.8
98.95480	1.7
98.96275	0.6
101.02314	1.6
113.02360	0.6
123.03145	6.1
137.02467	0.5
138.05499	100.0
139.05835	3.6
139.07556	0.5
148.33606	0.3
152.07098	0.8
161.04482	1.0
183.03618	0.3
247.79025	0.4
278.83450	0.4
282.09900	1.9
300.10831	1.3
301.13019	0.4
317.10931	0.4
319.13904	0.5
360.08255	1.0
360.20926	0.8
361.09869	0.5
361.14996	2.2
361.22321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09225	1.2
57.03310	1.1
59.01248	100.0
71.01250	13.0
71.57684	1.0
71.58106	1.9
73.02817	4.5
76.11016	1.0
79.95630	2.4
83.01276	2.1
83.48896	1.1
85.02825	4.0
87.00764	1.8
89.02320	6.7
96.95884	26.2
98.95456	2.5
101.02314	7.2
101.16154	1.1
113.02318	7.5
116.97083	1.3
119.03368	2.4
147.79790	1.1
156.10199	5.2
157.24324	1.0
161.04395	1.9
168.52908	1.1
225.93983	1.0
300.14514	4.1
318.15594	4.8
361.09641	10.5
361.22449	1.7
375.97556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32945	0.4
54.04034	0.4
59.01247	25.8
59.90878	0.4
99.92441	0.5
113.96748	0.5
125.09367	0.6
128.49213	0.5
178.79008	0.5
229.25861	0.6
274.71585	0.6
277.21707	100.0
278.22043	9.4
303.32645	0.6
303.36621	0.5
359.22046	16.2
360.22388	2.0
372.94922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
64.42329	4.5
71.57101	7.1
83.99778	4.2
114.21157	4.1
228.47235	3.7
237.79462	4.6
337.48682	4.4
380.26041	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	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01771	0.7
57.03329	1.3
58.00472	0.9
59.00946	1.2
59.01249	22.1
67.86033	0.6
69.65378	3.6
71.01247	10.7
72.99188	1.2
73.02818	1.1
79.95621	0.7
83.04891	0.7
85.02835	4.5
87.00775	2.4
89.02321	7.5
93.03329	1.5
95.01273	1.4
96.00742	0.8
96.95883	14.9
97.02813	1.3
98.95486	2.3
99.04398	1.6
101.02326	4.3
103.32200	0.7
107.08558	1.8
110.89636	0.6
111.04402	2.5
113.02322	5.5
119.03372	2.2
119.08369	0.6
120.05702	0.9
123.08025	0.7
130.08623	2.2
131.08971	0.7
133.02876	0.8
133.10135	2.4
135.04411	1.9
135.08047	5.6
149.02356	6.8
153.09113	100.0
154.09459	4.5
159.51932	0.7
161.02368	0.7
164.04709	1.0
166.08612	0.9
167.10622	0.8
173.32169	0.7
176.03758	0.9
177.09029	1.1
179.03456	0.8
179.05508	1.0
179.07034	1.2
191.05431	1.0
195.10170	2.1
197.08119	93.5
198.08449	4.7
239.09129	2.5
243.05785	0.8
251.06973	0.7
255.06592	0.7
267.06503	1.0
297.11426	0.9
299.18542	1.9
317.19754	0.8
324.16528	3.9
341.19064	1.4
344.12589	1.1
359.08331	1.1
359.14661	2.6
359.20660	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	357.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84549	1.1
56.12872	0.9
57.15833	1.0
58.13234	1.0
59.01252	29.0
96.95892	5.2
103.00232	1.5
121.02840	3.7
170.17154	1.1
175.58815	1.0
230.35968	1.2
231.21176	5.4
275.20142	100.0
276.20560	8.5
357.06079	1.4
357.20438	11.6
357.61108	1.1
358.20752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03308	0.7
59.01245	0.7
60.98138	0.2
70.95621	0.5
70.95969	0.2
71.04889	0.4
80.96650	0.2
83.04888	0.2
84.02021	0.2
96.95882	3.7
97.06439	0.3
99.08029	7.2
103.00209	0.6
121.02832	1.2
127.11182	0.5
129.09088	0.6
139.11162	2.1
149.53227	0.2
150.50995	0.2
151.85802	0.2
153.12764	0.4
155.10646	0.5
155.14296	1.5
157.12285	0.2
183.17459	0.6
192.95775	0.7
193.15965	1.1
195.17511	1.2
197.09679	0.2
198.55083	0.2
199.13319	7.2
200.13614	0.3
203.14307	0.2
209.69852	0.2
211.14938	0.4
211.16962	6.5
212.17311	0.2
213.14941	0.3
221.15381	3.5
222.15648	0.3
227.16447	0.6
229.14433	0.3
237.14943	1.6
239.16478	33.9
240.16785	2.2
257.17545	15.4
258.17868	1.4
277.10886	0.4
321.24265	0.7
339.25385	0.6
354.21182	0.2
357.06277	0.7
357.26437	100.0
358.26807	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37769	1.9
57.03320	2.8
57.19968	2.1
59.01247	6.5
69.03343	2.3
71.01257	37.7
73.02826	7.3
74.61009	2.1
76.23219	2.2
83.01246	2.5
85.02831	6.3
96.95898	24.9
97.02830	6.3
101.02320	4.2
103.00245	4.9
113.02357	10.0
118.98254	2.0
121.02837	11.0
125.02303	4.1
183.13821	12.3
192.95818	9.1
195.13823	13.5
197.09694	2.3
213.14891	100.0
214.15236	6.4
227.16536	4.1
231.04755	3.5
237.15048	3.6
249.15041	5.4
285.91129	2.4
330.17706	2.1
334.50433	2.2
357.06238	6.6
357.26279	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	357.1343
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.11245	1.0
55.72278	1.0
58.84627	1.0
59.01257	1.2
67.28139	1.1
69.40623	2.0
69.41016	8.8
79.95587	3.8
91.76828	1.1
93.03357	1.6
96.95876	37.0
98.95465	2.4
98.96288	1.4
103.05423	1.3
108.02048	26.2
121.02831	3.8
123.04411	27.1
131.04912	1.8
134.03581	1.6
135.04388	2.1
143.04936	1.2
145.02838	2.4
145.06430	1.7
146.03644	2.8
147.04375	4.1
148.05238	10.8
149.02332	4.8
149.05968	9.0
149.20184	1.0
150.03133	9.8
158.03624	6.4
159.04425	16.2
160.05203	27.7
161.02364	1.8
161.06009	6.3
162.03094	5.5
162.06647	1.4
163.03917	2.2
164.04681	3.0
165.05464	2.9
171.04391	1.4
173.05917	3.3
174.03128	7.6
175.03844	2.6
175.07558	9.5
176.04703	6.3
177.05487	100.0
178.06265	30.9
180.04216	1.3
187.03920	19.1
188.04709	20.8
191.07048	25.9
192.04153	3.4
192.07831	13.6
193.08479	1.7
200.04610	1.2
201.05406	1.6
203.07066	88.5
204.07356	3.9
206.05797	19.2
207.06079	2.0
210.05241	9.2
219.06555	4.3
220.07300	3.5
221.08130	59.3
222.08498	2.5
224.06825	16.0
225.07153	1.3
235.07587	1.9
251.07083	1.2
261.05380	1.8
263.07056	4.4
279.06537	3.0
280.07330	2.8
281.08170	4.5
283.09274	1.3
291.06577	4.2
293.75027	1.1
295.09753	1.8
296.10385	2.7
297.07623	2.2
299.12671	1.4
306.08878	3.3
309.07718	4.2
311.12897	1.5
313.10703	5.2
321.11264	1.6
324.09869	3.7
327.12433	7.9
339.12344	32.0
340.12692	3.8
356.55847	3.1
357.06094	3.0
357.13388	26.2
358.13879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01248	14.5
60.01577	0.2
67.81593	0.2
71.01247	0.9
71.24583	0.3
71.24928	0.2
73.02824	0.4
79.95601	0.4
81.63166	0.2
85.02827	0.4
87.00755	2.1
89.02285	0.2
95.01259	0.2
96.95886	19.9
98.95463	0.5
101.02306	0.4
103.00257	1.8
108.02028	1.3
111.44292	0.2
113.02340	0.5
119.04894	1.5
121.02826	1.3
121.14073	0.2
122.03635	0.3
122.05997	0.2
123.04390	2.1
124.01514	1.1
125.02332	0.5
128.93909	0.2
130.08607	0.3
131.44658	0.2
134.03656	0.6
135.04414	7.1
135.05440	0.4
136.05196	8.0
137.05502	0.5
150.03107	0.5
151.03928	3.2
151.07535	2.5
154.31102	0.2
161.04456	0.2
171.08125	0.4
173.09637	0.7
174.09981	0.2
177.05443	0.3
189.09172	0.5
192.32349	0.3
195.06551	100.0
196.06900	4.6
197.09688	0.8
201.92969	0.2
202.09042	0.2
247.09747	0.3
259.09814	0.4
277.10776	1.8
357.06271	2.7
357.11920	0.9
357.21500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
58.71613	0.2
59.01254	21.5
60.01576	0.5
69.94677	1.5
71.01247	1.1
73.02803	0.3
79.95609	0.9
80.51659	0.3
85.02845	0.6
87.00764	2.2
96.95892	23.7
98.95466	0.6
101.02338	0.5
103.00253	2.7
108.02065	2.1
113.02330	0.4
116.07070	0.5
119.04906	2.2
119.71807	0.3
121.02848	2.1
122.03546	0.4
123.04419	3.3
124.01568	1.4
125.02370	0.3
130.40773	0.2
133.06436	0.3
134.03621	0.9
135.04422	10.5
136.05208	14.6
137.05522	0.9
142.57326	0.3
150.03128	0.9
151.03918	3.3
151.07553	3.5
171.08076	0.6
173.09641	1.6
177.05521	0.4
189.09044	0.3
195.06566	100.0
195.69214	0.3
196.06914	5.7
197.09650	1.4
215.10687	0.3
218.99101	0.3
220.36212	0.3
228.87257	0.3
247.09674	0.3
259.09747	0.3
277.10815	1.8
357.06262	2.5
357.11746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81519	0.2
53.85790	0.2
56.82994	0.2
58.13755	0.2
59.01253	1.9
62.74437	0.2
65.85383	0.2
69.62818	0.2
70.71814	0.5
70.72173	0.2
71.01257	0.2
79.95609	1.6
85.02831	0.5
87.00763	1.1
96.95887	100.0
97.95808	0.3
98.95457	2.0
98.96063	0.3
100.28319	0.2
103.00246	13.4
121.06487	0.2
130.08612	0.3
135.08052	1.5
147.08015	0.3
161.09631	0.7
163.07494	0.2
171.08018	0.5
173.09619	3.5
189.09076	0.5
197.09654	6.5
198.09985	0.5
213.27200	0.2
215.10718	0.3
259.09747	2.4
276.59296	0.2
277.10797	7.0
278.11203	0.4
357.06479	25.4
358.06943	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31545	0.5
56.20853	0.7
58.54956	0.6
59.01250	4.3
67.21194	0.6
70.92280	1.7
79.95621	3.2
83.77168	0.6
85.02752	0.6
85.50691	0.6
86.81228	0.6
87.00751	0.7
87.37102	0.6
96.95891	100.0
97.95867	0.6
98.95463	3.8
103.00246	24.9
115.22522	0.6
115.26620	0.5
123.77099	0.5
133.29303	0.6
163.97690	0.6
171.08098	0.9
172.59282	0.6
173.09642	5.4
197.09644	13.4
259.09814	4.2
277.10788	13.8
320.22784	0.7
329.42111	0.6
357.06537	11.7
358.06897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.0
58.00478	3.2
58.02847	4.0
59.01241	7.9
71.58212	3.4
72.00799	2.8
72.04425	3.0
79.95613	4.7
80.20952	2.0
80.57533	1.9
81.90224	1.9
86.02348	26.3
96.95890	65.2
99.07435	3.2
99.08037	28.0
100.03917	8.0
102.05493	5.5
103.00233	4.5
113.09608	7.1
121.02845	31.2
127.07545	5.8
129.09108	34.1
165.12729	2.2
167.14270	2.2
167.85107	1.9
171.10179	4.0
179.14343	3.8
181.06508	4.8
183.13762	3.2
192.95879	9.8
206.15413	2.7
210.14943	2.2
211.13370	2.9
224.14415	3.8
224.16512	55.2
225.05461	7.3
225.16806	3.1
226.18074	100.0
227.18456	7.4
233.22678	5.2
236.16458	3.8
236.75757	2.0
238.18089	30.3
318.24396	5.1
320.25989	41.4
321.26364	4.9
328.22049	3.4
329.23288	17.1
336.25452	3.8
338.23026	4.4
338.27002	55.2
339.27325	6.3
356.05667	4.6
356.28232	24.6
357.06183	6.8
357.10004	3.8
357.17935	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.32421	0.2
59.01244	1.3
67.91444	0.2
68.69504	0.2
73.65862	0.2
93.03306	0.2
96.95884	2.3
98.95490	0.2
103.00264	0.3
121.02840	100.0
122.03172	3.1
126.08944	0.2
132.04442	0.4
135.04507	0.2
136.07591	0.3
136.31110	0.2
157.47499	0.2
165.01874	1.1
179.11801	0.2
180.05736	1.8
181.06520	6.5
182.06862	0.6
197.05971	0.3
199.07628	0.3
224.02377	0.2
225.05510	6.4
226.05881	0.4
236.86877	0.2
304.21603	0.2
313.07159	7.3
314.07468	0.5
330.90012	0.2
357.06165	30.8
358.06479	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	356.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	2.8
58.00457	3.0
58.02840	1.7
59.01221	2.7
61.98673	0.7
64.14812	0.6
69.03305	0.8
70.86494	1.5
71.01245	1.4
72.00744	1.5
72.04398	2.6
73.02809	2.2
74.02325	0.9
74.92863	0.7
79.95597	1.4
81.02042	0.8
82.02841	1.3
83.04898	1.3
84.00762	1.2
84.04420	10.8
85.02248	0.5
85.02789	0.7
86.01860	0.9
86.02341	12.8
96.95889	19.9
97.06476	1.4
99.08009	2.2
100.03919	4.6
100.76976	0.6
102.05476	2.8
103.00235	1.2
114.05455	1.5
121.02802	2.9
121.10275	0.6
123.08057	1.7
125.09605	11.2
127.11153	1.6
137.09567	1.4
139.07509	1.4
139.11177	5.6
140.16786	0.6
141.12717	2.3
142.12285	0.9
151.11179	1.5
153.09099	6.2
155.10683	8.5
156.13826	7.4
157.12163	0.8
165.09116	5.0
166.12247	0.9
168.13878	0.9
170.11728	4.5
170.15268	0.8
171.10204	1.5
182.11740	1.8
183.10179	6.6
184.13335	12.3
186.14911	1.6
192.95758	2.6
194.11794	20.2
196.13339	7.6
197.09686	0.7
198.14859	2.9
199.13367	5.4
199.15092	0.9
200.12788	0.8
205.19553	0.9
208.13402	1.4
209.11758	0.7
212.12865	10.0
214.14418	73.5
215.14731	4.6
224.12852	8.2
226.11044	0.6
226.14445	7.4
228.16037	2.1
233.22684	3.6
234.22987	0.8
242.13957	2.8
243.14552	0.8
244.15503	100.0
245.15836	6.7
245.38005	0.6
295.23105	1.5
295.95151	0.7
318.24387	6.0
319.24924	0.7
320.25909	53.3
321.26309	5.5
336.25378	2.4
338.26968	21.0
339.27335	2.8
354.26620	2.3
356.05499	1.6
356.23792	1.5
356.28070	25.4
357.06241	0.8
357.26257	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	356.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21391	8.4
59.01246	16.9
71.58698	19.4
75.68556	9.0
79.95619	9.9
96.95888	100.0
98.95508	14.9
108.23717	10.7
116.27526	9.2
121.02840	18.2
141.94524	9.5
142.53021	9.6
162.06523	9.5
192.95801	13.2
301.90817	12.9
356.20135	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	355.249
Annotation	LAGOCHILIN
Peak:m/z	Relative Intensity
57.03325	1.5
58.00438	0.4
59.01263	2.1
61.98730	0.4
63.51256	0.3
67.66723	0.3
69.03334	0.3
70.60780	1.0
71.01254	1.4
83.04905	0.7
84.02043	0.3
85.02828	5.8
89.02303	0.4
95.04883	0.4
96.95894	6.9
97.02851	0.4
97.06477	5.5
98.06834	0.3
99.86158	0.3
101.02298	0.5
118.83442	0.4
121.02883	0.4
137.09607	0.5
142.52324	0.3
153.12776	0.5
155.10620	0.4
155.14317	1.2
162.03102	0.4
173.09666	0.7
179.14328	0.4
181.12329	0.3
183.17453	0.4
193.15892	0.9
195.13867	0.4
195.17470	1.2
199.13344	8.2
205.15800	0.9
211.16977	5.3
213.15010	1.7
221.15398	2.8
225.14914	0.8
231.13799	0.6
237.14935	1.9
239.16504	26.1
240.16817	1.7
249.14922	6.5
250.15172	0.6
255.15878	0.5
257.17566	15.2
258.17923	0.7
267.15985	2.5
273.20737	0.6
319.22812	3.5
337.23874	1.0
355.04837	1.4
355.24887	100.0
356.05280	0.5
356.21207	0.7
356.25247	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	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12664	1.1
66.37273	1.3
69.50745	7.8
71.93227	1.1
75.82027	1.2
77.93700	1.1
79.95597	1.5
90.55228	1.2
96.95884	54.5
108.02041	1.6
119.04896	4.7
147.04427	13.9
150.03069	1.4
161.05986	1.5
164.04588	1.2
165.05408	2.0
175.03917	100.0
176.04691	47.9
177.05032	2.2
189.05487	7.6
190.06253	29.7
191.06680	1.4
204.02379	1.7
204.04196	18.5
205.04633	1.7
208.03731	18.0
217.05003	15.4
218.05792	11.5
219.06549	43.4
220.06927	2.4
222.05260	30.3
231.06569	1.9
235.07611	1.4
237.05635	2.4
267.06635	2.3
279.06665	6.4
291.06451	1.6
294.08835	2.6
295.06134	5.1
296.06900	11.3
307.06113	7.1
310.08203	1.5
311.09253	17.9
312.09827	1.7
322.08380	7.1
325.10684	3.4
327.12283	2.2
337.10776	3.7
355.11838	97.8
356.12131	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01240	2.8
61.20076	1.3
62.48153	1.5
70.16032	6.1
71.01264	2.1
83.01287	1.3
85.02813	1.9
96.95903	2.1
97.56664	1.3
101.05885	1.7
109.02859	1.9
122.03606	7.4
127.07570	1.7
135.04436	20.6
136.01587	3.2
136.04666	1.5
147.08041	2.2
149.09647	6.0
149.33655	1.5
151.07576	2.1
161.09605	5.1
163.07515	3.8
163.11197	45.9
164.08327	13.9
164.11490	1.7
165.09154	7.8
177.09134	56.9
178.09879	18.9
179.10699	67.0
180.11006	3.7
183.10251	2.3
191.10667	10.6
193.08652	8.4
280.14658	3.4
298.15738	50.2
299.16153	4.2
337.21725	44.7
337.25674	2.5
338.22186	3.5
340.20447	74.8
341.20712	7.4
355.22815	100.0
356.23074	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	355.1181
Annotation	Kalmiatin
Peak:m/z	Relative Intensity
54.26410	0.9
59.01233	4.7
61.98721	0.9
67.01758	2.0
69.03329	1.4
70.82291	2.2
70.82642	1.1
71.01255	1.3
81.03319	1.2
85.02821	1.3
91.05396	2.6
93.03324	2.5
95.04879	1.5
96.95890	5.9
101.02312	2.2
107.04895	4.3
109.02798	4.4
117.03343	1.7
119.04906	16.7
120.27429	0.9
121.02837	5.4
121.06470	2.7
123.04381	0.9
127.05361	0.9
129.06941	1.6
131.08540	6.3
132.02061	1.9
133.02864	1.5
135.04408	13.9
137.02306	1.3
137.58992	1.0
145.02820	3.5
145.06485	5.8
146.03555	1.9
147.04398	13.4
147.08076	2.7
153.81493	0.9
157.06445	1.0
159.04402	1.0
163.03915	4.3
164.04720	1.5
169.06497	1.6
170.07214	1.5
171.07985	2.3
173.09627	6.1
183.08003	1.1
185.09660	1.8
187.11266	1.2
190.02612	3.0
198.06754	1.2
199.07484	1.6
200.08467	0.9
201.09013	1.0
211.07434	1.3
213.09167	2.2
215.10678	5.3
222.01688	1.6
242.05748	1.5
243.10123	1.0
247.09723	2.1
257.08084	2.9
267.13931	5.4
268.03775	1.4
269.11823	1.4
293.11722	1.1
311.12857	20.3
355.04758	3.9
355.11832	100.0
356.12134	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73487	2.0
59.01249	5.9
71.57521	2.5
79.95606	5.0
80.96391	3.9
85.02828	2.9
87.00767	2.8
96.95884	99.3
96.96502	4.9
133.02863	2.6
134.03632	57.8
137.02335	9.2
139.03925	3.3
149.05977	17.9
152.01891	2.3
171.08040	2.3
173.09622	36.3
174.09933	3.2
174.40187	2.2
178.02625	32.7
189.09097	3.2
193.04982	100.0
201.09174	9.7
214.13013	2.1
231.10205	2.4
245.08170	10.4
247.09735	9.8
355.04861	58.5
356.05099	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.46206	0.7
58.00450	0.8
59.01250	9.4
69.72697	2.9
69.73111	1.5
71.01252	4.5
79.95609	4.7
81.86649	0.6
85.02819	1.6
87.00725	1.0
89.02301	2.0
96.95886	38.2
98.20563	0.7
98.47593	0.6
101.02314	2.2
113.02309	1.9
119.03381	0.7
132.02054	12.1
134.03645	8.1
141.95596	0.9
147.04422	1.0
148.32570	0.6
149.02283	0.8
149.06020	2.2
151.03889	1.1
152.98521	2.7
160.01563	58.1
161.01924	2.0
161.09566	0.6
169.30490	0.8
173.09644	4.6
175.03915	100.0
176.04294	5.3
191.07043	1.6
193.04988	15.4
194.05322	1.0
201.09019	0.8
213.09155	2.7
217.05026	5.9
235.05998	3.0
245.08386	0.9
247.09772	0.9
257.07999	0.9
265.07172	1.0
295.08191	1.5
355.04965	10.2
355.10333	5.6
356.05164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0881
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
50.03413	2.6
55.01780	3.1
57.03312	5.9
58.50421	2.9
59.01250	42.9
64.48586	2.7
68.99696	4.9
69.03342	3.9
70.01667	2.5
71.01248	76.2
71.56916	3.7
72.99171	38.8
73.02814	22.5
75.00740	46.4
78.95785	7.6
81.03368	3.1
83.01256	7.1
85.02815	30.4
87.00745	100.0
87.01267	5.5
89.02306	22.0
95.01261	8.0
96.96857	7.2
97.02827	9.1
99.00757	47.0
100.66251	2.8
101.02313	28.9
103.00239	13.1
105.01815	17.9
109.02802	3.7
111.00752	10.1
113.02323	32.6
115.00267	13.2
115.03941	3.7
116.17016	2.6
117.01821	63.1
119.03422	2.7
125.02328	8.2
127.00245	5.4
127.03931	5.0
129.01807	33.6
131.03369	7.3
133.01312	5.6
141.01807	21.4
143.03407	7.6
145.01306	11.8
147.02846	22.3
153.01840	4.2
155.03448	5.1
157.01306	4.4
159.02911	28.0
162.21370	3.1
163.02402	4.8
167.03503	3.3
171.02904	7.6
173.04471	4.3
175.02382	23.5
177.03928	44.6
179.05536	5.6
189.03967	5.2
190.04434	2.9
193.03410	4.0
201.03998	2.9
207.05035	5.3
217.03516	4.9
229.03452	3.1
235.04541	7.9
237.06062	4.4
265.05618	9.4
337.04111	3.9
355.08731	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	355.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
60.01154	0.6
69.62196	2.2
69.62621	1.9
71.01263	0.7
79.95609	12.3
79.96078	0.7
80.96365	0.8
81.89064	0.7
95.04903	0.9
96.95895	100.0
99.04398	0.9
112.03105	0.6
121.06426	0.7
122.20318	0.5
123.04386	2.0
141.95688	3.5
151.03926	1.6
152.97388	1.1
152.98550	11.8
167.07059	1.1
173.09624	4.2
177.09164	2.4
179.07076	1.9
183.06528	0.9
195.10139	0.7
201.09294	0.7
213.09184	3.5
213.10855	0.6
239.09239	1.3
245.08090	0.9
247.09773	1.2
257.08133	1.7
257.10446	1.1
293.07028	1.4
337.05862	1.0
355.05060	7.3
372.55008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0823
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
59.01246	3.2
65.54790	1.0
69.26865	11.7
71.01266	2.2
85.02751	1.2
96.95897	8.7
97.06460	1.3
101.02332	1.4
119.04921	20.2
121.02840	100.0
122.03196	3.4
130.56865	1.1
149.71626	1.0
158.25270	1.1
163.03935	9.5
173.09731	1.7
181.06538	4.8
197.77565	1.0
201.09224	1.1
223.07748	1.8
225.05469	1.8
239.16570	2.6
257.17612	2.6
311.09238	97.5
312.09567	9.9
355.04987	1.9
355.08301	43.0
355.15903	2.7
355.24957	13.7
356.08603	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75795	0.2
54.77248	0.2
57.57941	0.2
71.31766	0.2
71.32114	0.4
79.95633	1.5
89.85383	0.2
96.95894	100.0
97.95798	0.2
100.28597	0.2
209.16394	0.2
213.09106	2.4
223.76187	0.2
233.48930	0.2
257.08173	1.5
275.09241	0.4
281.07059	0.2
355.04889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0491
Annotation	IAA-94
Peak:m/z	Relative Intensity
57.28926	0.4
58.28095	0.4
59.01246	1.3
66.87724	0.3
71.05198	0.3
71.43905	0.8
79.95597	4.1
80.96395	5.2
96.95885	65.9
98.95477	0.8
103.00238	3.6
121.06509	1.8
131.04890	1.1
131.08569	0.7
133.06439	0.4
134.03622	0.4
143.04913	0.6
144.05716	0.8
145.06514	0.4
147.08090	2.6
157.06487	3.4
158.07263	1.7
161.05959	0.5
161.09619	2.6
171.08058	3.4
173.09627	71.8
174.06728	0.5
174.09959	3.6
185.06003	1.0
185.09560	0.6
186.06691	0.6
187.07613	0.8
188.08321	2.2
189.09131	5.8
201.09131	16.0
202.09410	0.8
203.10732	1.0
214.06310	0.9
217.08640	1.0
229.08672	3.7
231.10236	0.4
245.08151	13.4
246.08495	0.8
247.09724	22.7
248.10028	1.6
275.09219	0.6
327.05539	0.9
355.04913	100.0
356.05191	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	355.0492
Annotation	IAA-94
Peak:m/z	Relative Intensity
57.03322	1.0
59.01246	3.7
70.51561	2.0
70.54526	0.6
71.01225	1.1
72.75892	0.7
73.35913	0.5
79.95605	4.6
80.96380	6.5
86.51538	0.6
87.00726	0.8
90.90329	0.6
96.95884	85.5
98.99098	0.6
101.02240	0.6
103.00263	3.6
121.06487	1.4
131.08574	0.6
143.04950	0.7
144.05608	0.9
145.06429	0.9
147.08043	2.2
157.06531	3.3
158.07249	1.7
159.08035	0.8
161.09625	2.7
171.08051	2.7
173.09624	87.6
174.09998	3.7
187.07709	0.7
188.08342	2.2
189.09131	6.7
201.09126	16.8
202.09442	0.9
203.10770	1.9
217.08675	1.0
229.08554	4.2
245.08131	17.6
246.08501	1.1
247.09720	30.6
248.10063	1.7
305.33658	0.7
327.05621	0.8
355.04901	100.0
356.05176	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	355.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77451	0.5
55.17555	0.6
59.01247	2.0
64.11951	0.5
67.50243	0.5
69.90807	2.7
71.01251	1.7
72.99187	0.6
73.02824	1.6
78.95757	2.7
79.95617	3.5
80.96400	4.5
85.02853	0.7
85.89011	0.5
86.82983	0.5
96.95893	78.8
97.95840	0.6
101.02341	0.7
103.00233	3.7
110.98422	1.6
113.02338	1.0
115.05301	0.6
121.06516	0.7
124.45113	0.5
131.03392	0.6
131.04947	0.8
133.55592	0.7
141.59200	0.5
144.05693	0.7
147.08060	1.6
157.06511	1.6
158.07272	1.3
161.09598	2.0
171.08040	2.7
173.09641	58.5
174.09978	3.1
185.06038	0.7
185.09668	1.3
187.07538	0.9
188.08322	1.2
189.09108	3.6
201.09137	12.3
203.10826	0.7
213.09219	0.7
229.08652	2.7
231.10269	0.6
245.08157	11.2
247.09743	18.6
248.10191	1.5
275.09155	0.8
277.38660	0.6
327.05411	0.9
355.04932	100.0
356.05194	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00946	3.1
59.01247	52.9
71.01257	24.7
71.11625	3.9
73.02811	5.9
73.28666	1.9
79.95599	3.1
83.01244	2.2
85.02803	11.5
85.32963	1.7
87.00755	1.8
90.98451	2.9
96.95886	100.0
97.91344	2.0
98.94799	2.0
99.00764	2.1
101.02312	12.7
113.02313	10.2
114.75700	1.9
131.04501	2.4
143.03391	1.9
145.31627	1.9
159.02911	3.9
161.03180	3.5
161.04456	51.9
161.05795	2.7
162.04825	2.0
173.09579	6.5
185.09650	2.9
188.05547	2.9
191.05513	7.5
192.05791	3.0
198.81546	1.8
213.09169	28.1
257.08151	12.6
275.09229	6.7
293.45581	2.0
355.04913	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	353.2329
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
55.57901	0.6
59.01241	1.9
72.30835	0.5
78.95763	2.0
82.75462	0.6
83.04893	0.7
85.02807	1.2
96.95906	2.8
98.19714	0.9
99.66698	0.5
115.26973	0.5
135.04410	1.7
152.99448	1.1
162.31183	0.5
179.03400	1.3
180.11952	0.6
191.05537	12.9
195.08124	1.0
207.08012	1.4
209.06018	0.7
221.10138	1.1
222.06813	0.7
223.07573	1.6
229.89038	0.6
234.06810	1.2
235.07579	2.1
247.20671	1.0
251.07094	12.5
252.07304	0.8
262.06311	1.5
263.07196	4.7
264.07788	1.5
277.21664	1.8
277.24808	0.6
279.06619	11.2
279.23212	2.3
280.07010	0.9
294.05844	0.6
294.08875	3.1
295.06168	5.3
295.09186	1.0
296.06497	1.1
307.06018	2.5
308.06616	0.9
309.04086	0.8
310.08453	1.2
321.07654	0.9
322.08572	4.7
323.05579	12.0
323.09113	1.1
323.22214	7.5
324.05817	1.8
324.22836	1.0
337.06924	1.4
338.07938	12.5
339.08359	1.6
353.10391	13.9
353.23294	100.0
354.10568	2.3
354.23590	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	353.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87056	0.5
53.28439	0.5
56.96957	0.5
59.01236	1.1
71.58399	0.8
76.38986	0.5
96.65531	0.5
96.95908	2.0
99.92473	3.1
118.35829	0.5
214.78000	0.5
223.20622	2.9
224.20743	0.5
225.22195	46.9
226.22552	3.1
227.80344	0.6
253.21652	0.8
271.22784	100.0
272.23077	7.3
318.49319	0.6
319.27393	0.5
342.07813	0.5
353.19537	1.1
353.22906	3.1
353.30444	1.2
354.15091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.9
65.58997	0.7
70.07549	3.0
71.01261	1.0
79.95607	0.8
85.11258	0.5
96.95861	0.8
135.04398	0.8
139.07544	19.9
140.07829	0.8
152.91635	1.2
157.08629	8.4
183.01147	8.1
183.13838	16.6
184.14153	0.9
191.05553	3.1
194.92746	1.6
194.95514	1.6
195.13835	14.3
196.14067	0.8
213.14905	100.0
214.15225	5.0
215.85782	0.6
238.61612	0.6
279.25952	0.7
353.10672	0.8
353.17902	14.3
353.23358	5.7
354.18204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00071	0.2
59.01236	0.9
64.96874	0.5
70.45751	0.8
79.95599	10.6
80.96387	1.2
85.64288	0.3
94.97954	1.0
95.95095	2.4
96.95882	80.9
97.95821	0.3
122.97463	4.7
162.27919	0.3
168.08041	0.3
178.67802	0.3
353.19989	100.0
354.20352	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.81416	0.2
59.01232	0.6
66.42415	0.2
74.25344	0.3
79.95600	0.3
96.95894	2.3
103.85462	0.2
130.16063	0.3
130.73882	0.2
147.08075	0.4
163.11183	94.0
164.11520	5.0
173.63168	0.2
177.09113	71.1
178.09445	4.0
194.05840	0.5
194.88965	0.3
204.55423	0.2
207.05190	0.3
222.08887	0.4
267.13004	0.3
353.21167	100.0
354.21521	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	353.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81667	0.3
59.01246	0.5
64.96893	0.3
79.95602	11.6
80.96391	1.0
94.97948	1.3
95.95110	2.0
96.65455	0.3
96.95884	85.0
122.97463	4.7
127.99434	0.2
220.83533	0.3
223.48059	0.3
230.14235	0.3
261.60782	0.3
294.31119	0.3
294.67706	0.3
314.55710	0.3
353.20001	100.0
354.20349	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	353.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
64.96889	0.3
66.06848	0.3
69.94013	1.5
69.94410	0.6
79.95165	0.6
79.95609	9.3
80.96388	0.9
94.97963	1.0
95.95095	2.1
96.95889	79.4
97.95821	0.4
105.90691	0.3
111.91532	0.3
122.97466	4.3
138.97005	0.4
157.59741	0.3
183.17404	0.4
237.69133	0.3
353.20010	100.0
354.20316	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	353.2002
Annotation	Hexamidine
Peak:m/z	Relative Intensity
52.52101	0.3
58.10952	0.3
59.01248	1.1
64.96886	0.5
68.34224	0.3
70.81584	0.5
75.43127	0.3
79.95607	14.1
80.96377	1.0
94.97945	1.6
95.95090	2.7
96.95889	100.0
110.10439	0.3
122.97463	5.3
138.96956	0.4
141.95580	0.3
191.05498	0.6
198.97223	0.3
339.22308	0.3
353.20010	96.2
354.20328	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	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
53.75734	1.0
59.01247	5.8
69.21734	1.0
71.58055	1.6
90.05372	1.1
90.39880	1.3
108.79449	1.1
141.03108	1.0
156.97435	1.2
171.10179	16.0
171.31834	1.4
191.05594	1.9
225.57617	1.1
277.21689	16.4
278.21909	1.4
295.22736	23.8
296.23325	2.9
317.20932	1.6
353.18616	100.0
354.18884	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	353.1867
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01254	11.8
60.11084	0.9
62.98923	1.0
69.38158	1.0
69.65322	7.1
71.01260	1.1
76.01106	1.1
82.65923	1.1
95.04946	1.7
96.95892	1.1
113.09579	1.2
125.09575	1.2
127.11214	2.9
171.00592	1.1
178.67332	1.1
178.94810	1.0
191.05594	3.4
194.95631	1.1
195.13855	11.4
225.01714	1.3
225.22169	1.5
239.03355	1.0
253.21638	1.3
271.09680	1.2
271.22794	65.9
272.23160	5.4
277.21738	8.7
278.22131	2.0
280.15607	1.1
291.19302	1.2
293.21191	2.0
295.22781	52.2
296.23270	4.4
317.20828	2.2
337.20169	1.6
353.18677	100.0
353.22949	13.0
354.18997	9.6
354.23132	1.8
362.88376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38012	0.6
59.01255	1.1
69.65009	4.3
71.01243	0.7
86.87988	0.7
87.04374	0.7
90.98466	100.0
91.98859	0.6
93.06990	0.5
96.95876	1.0
98.19784	1.0
99.10347	0.6
111.04396	7.1
163.07523	1.9
173.13254	5.3
175.07590	1.2
199.11230	1.0
217.12291	27.9
218.12599	2.4
239.73550	0.6
260.82950	0.7
261.11304	33.0
262.11743	2.9
308.66187	0.5
353.10513	6.7
353.23221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01187	1.5
67.01691	0.6
69.03286	0.3
70.98883	0.7
71.01202	0.9
73.02772	0.5
74.98933	0.3
79.95559	0.3
80.96362	0.2
81.03298	0.4
81.70583	0.2
83.04832	0.8
85.02820	8.3
87.00753	2.1
89.03770	0.3
91.05375	0.5
93.03337	4.3
94.03666	0.3
95.04890	0.3
96.95889	3.6
99.04327	0.3
107.04940	1.3
109.02798	0.8
111.04398	2.3
117.03277	0.9
121.35915	0.3
122.04342	0.3
127.03905	2.4
129.01723	0.3
133.02876	1.4
134.03635	5.8
135.04419	55.6
136.04744	2.0
155.03410	1.1
161.02356	3.2
171.03012	0.4
173.04509	3.0
179.03418	45.6
180.03745	2.2
191.05539	100.0
192.04204	0.5
192.05869	3.8
205.01469	0.3
209.06007	0.4
221.06160	0.4
229.01505	1.0
233.36018	0.3
237.05649	0.5
238.06361	0.3
248.04829	0.4
249.05559	0.6
250.06244	0.5
265.04959	1.2
265.13589	0.3
266.05807	3.6
267.06635	0.6
276.04489	0.3
277.05234	0.3
281.08414	1.1
293.04617	0.6
294.05630	1.1
309.07712	1.4
310.08618	0.3
353.09235	9.3
354.09381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
56.96298	0.2
57.03304	0.2
59.01243	1.5
60.90717	0.2
67.01736	0.3
69.03277	0.3
71.01228	0.7
73.02792	0.4
77.87690	0.2
79.95546	0.2
81.03322	0.5
82.32860	0.2
83.04887	0.6
85.02820	8.2
86.03109	0.3
87.00752	2.1
89.03828	0.4
91.05367	0.6
93.03331	3.8
96.95885	1.6
99.04392	0.3
104.99002	0.2
106.04124	0.3
107.04920	1.5
108.02020	0.3
109.02824	0.7
111.04385	2.2
117.03332	0.7
127.03916	2.2
129.01671	0.2
133.02893	1.1
134.03625	5.4
135.04405	57.8
136.04724	2.2
137.02327	0.4
155.03407	1.5
161.02330	4.2
162.02727	0.2
171.02890	0.4
173.04462	3.3
173.05867	0.2
174.04825	0.3
179.03407	49.3
180.03729	2.2
185.37088	0.2
191.05525	100.0
192.05873	3.6
214.77473	0.2
265.05103	0.6
266.05737	1.4
267.06442	0.3
273.59479	0.2
281.00934	0.2
281.08365	0.8
293.04599	0.3
294.05569	0.3
309.07907	0.7
353.08914	12.6
354.09406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.96133	1.8
59.01241	3.0
71.57227	2.3
71.57555	2.0
85.02809	5.4
87.00714	3.0
93.03318	3.7
96.95903	11.9
135.04456	2.3
161.35730	1.9
191.05537	100.0
192.06026	2.5
224.82129	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	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.64318	0.3
59.01245	3.4
59.67913	0.4
67.01752	0.4
70.09954	0.3
71.01240	1.1
71.57154	0.5
73.02808	0.7
77.08237	0.4
78.95786	0.6
83.04943	0.4
85.02811	6.8
87.00758	1.7
89.02285	0.4
93.03350	4.0
96.95892	2.3
96.96838	1.0
109.02873	0.5
111.00766	0.5
111.04382	1.3
115.50800	0.4
127.03880	1.6
132.94073	0.4
135.04405	2.8
155.03348	0.5
161.02365	1.7
171.02917	0.5
173.04417	2.6
179.03377	2.6
191.05530	100.0
192.05875	3.9
241.69043	0.4
307.65143	0.4
353.11365	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.8
68.60159	0.4
70.72536	1.4
71.01262	1.2
73.02843	0.4
79.95614	0.7
85.02824	0.6
87.00759	1.4
93.03349	0.9
96.95888	8.9
98.95462	0.9
101.02316	0.7
110.32694	0.4
114.62900	0.4
121.02825	2.4
133.02873	3.0
135.04451	1.1
161.02364	0.6
173.04477	0.9
177.01891	0.8
191.05557	0.9
215.05562	1.2
351.07626	0.5
351.14758	3.6
351.21884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1706
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.44341	1.2
59.01242	10.8
70.28773	2.6
70.29131	4.7
70.80952	1.2
71.01244	1.6
71.53465	1.4
74.96056	1.9
80.32070	1.4
87.84084	1.5
96.95893	6.4
121.10088	7.8
171.10184	19.7
183.10141	1.5
186.95453	1.9
191.23097	1.6
192.95769	4.8
227.28188	1.2
229.04787	2.6
275.20181	24.0
293.21219	13.4
351.17056	100.0
352.17365	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16042	0.3
59.01251	11.1
64.92559	0.3
69.28388	2.9
71.42837	0.3
76.65141	0.3
83.91668	0.3
84.05395	0.3
96.95882	1.0
108.55919	0.3
109.71503	0.3
118.55872	0.3
125.09573	1.3
125.75501	0.3
127.11138	1.1
141.12701	0.8
192.95746	0.4
193.08386	0.5
223.20651	0.6
251.20134	1.3
263.20169	0.4
266.74210	0.3
267.19626	1.3
269.21213	100.0
270.21536	7.6
275.20206	0.5
289.17780	3.2
289.36716	0.3
291.19376	3.7
293.21210	1.8
294.45050	0.3
307.17477	0.5
307.21097	0.3
309.19275	1.0
315.25256	0.7
335.18356	1.7
349.18710	0.4
351.16861	2.2
351.21268	14.7
352.17245	0.4
352.21423	1.1
372.97025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94798	0.5
59.01239	4.6
63.42441	0.6
70.60721	1.0
70.61108	1.1
71.00893	0.8
71.01254	10.5
74.96055	6.0
83.93928	0.5
89.94772	1.0
96.95873	3.1
104.46568	0.5
110.26299	0.6
127.07535	1.6
128.97154	3.5
150.94705	0.6
151.07539	1.0
164.08307	0.9
177.09166	3.9
186.95522	1.6
190.09937	1.1
192.11479	9.2
192.95786	4.4
193.11986	0.7
205.12300	4.4
207.13815	1.6
218.09416	2.5
220.14622	58.9
221.15396	100.0
222.15749	7.0
231.17526	2.4
235.13344	1.7
236.10484	84.5
237.10831	6.3
240.03964	0.6
258.08676	0.7
268.07275	0.6
275.16483	5.5
278.10532	6.1
279.11270	2.7
293.17569	25.0
294.05508	1.6
294.17871	1.1
333.12436	7.2
351.13434	61.0
352.13675	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.3
60.44980	0.6
63.34727	0.5
69.31133	3.2
69.31561	2.3
71.01283	0.5
94.21483	0.6
95.15879	0.5
96.95906	1.5
106.15149	0.5
107.83466	0.5
138.96904	0.6
157.96989	0.6
220.51857	0.6
245.12106	0.9
263.13394	0.6
351.14590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33455	1.1
55.04125	1.2
59.01248	100.0
59.70374	1.1
60.43614	1.2
65.06951	1.0
69.44783	2.3
69.45184	8.7
71.01247	11.1
72.99157	1.2
73.02824	4.0
74.28823	1.2
79.95580	1.3
84.48676	1.0
85.02826	2.5
87.00749	1.6
89.02314	6.0
96.95876	7.6
100.49792	1.0
101.02325	9.1
113.02332	3.7
119.03380	3.0
131.03407	1.1
139.00414	1.1
139.57372	1.0
142.44757	1.0
160.08618	1.1
184.15247	1.1
201.30301	1.1
203.15363	1.4
290.55875	1.1
334.35123	1.1
349.15225	6.7
350.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.155
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
55.01752	1.6
59.01245	2.7
64.65179	1.1
69.92912	1.3
69.93224	6.5
71.01230	1.5
73.02795	1.4
92.90893	1.3
93.03328	1.1
94.06113	1.4
95.04920	1.3
96.95883	4.6
107.04893	2.0
109.06461	2.2
133.62546	1.1
135.08075	2.4
140.09879	1.1
148.08878	1.5
165.09074	4.8
165.12752	26.1
177.12819	1.4
215.16423	2.2
244.03471	1.3
247.20602	13.3
248.20798	1.3
273.18542	7.4
279.31000	1.2
291.19666	71.1
292.20120	6.4
313.17865	5.1
349.15482	100.0
350.15884	8.2
350.19626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0178
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
59.01240	0.9
69.58186	0.3
71.07965	0.8
71.08314	0.4
92.35213	0.3
96.95881	1.2
98.19839	0.4
110.04494	0.3
133.87152	0.4
192.95663	0.9
227.03603	0.6
228.04247	6.3
229.04761	0.5
255.02931	5.8
256.03735	46.6
257.04147	3.2
271.06100	100.0
272.06442	6.5
351.01764	18.3
351.13129	0.7
351.21347	0.5
352.02646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
57.03601	0.6
58.00454	0.8
59.01248	59.4
61.85320	0.6
66.54854	0.6
71.01250	24.4
71.57353	1.1
72.99183	1.1
73.02813	29.9
75.00735	1.2
83.01254	7.7
83.04883	0.7
84.02027	0.6
85.02823	3.1
87.00755	2.0
89.02306	4.0
95.01250	0.8
96.95892	4.8
99.08025	21.2
100.08373	0.8
101.02313	19.4
113.02312	4.9
113.09587	0.9
119.03376	1.1
120.52591	0.6
125.02306	0.9
125.09597	2.3
127.07535	7.3
129.09076	2.6
131.03371	0.9
141.09105	3.3
143.03386	0.7
145.08597	62.0
146.08925	1.6
149.04388	0.8
153.97511	0.7
155.03456	0.7
161.04448	2.2
187.09673	7.8
240.13727	0.7
258.79892	0.6
289.12897	4.8
307.13974	13.6
349.14996	100.0
350.15378	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	0.9
71.01267	1.3
71.45228	0.8
73.02817	1.2
77.31741	0.6
78.95341	0.6
83.50790	0.6
96.95894	1.4
101.02322	0.6
114.66972	0.7
122.90231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50745	1.4
59.00949	2.0
59.01247	31.2
71.01251	33.8
71.57880	2.0
72.99161	4.0
73.02814	3.6
75.00751	1.7
78.95789	3.2
79.95604	2.3
85.02821	5.5
87.00755	5.0
89.02313	32.9
95.01279	1.5
96.95914	8.5
97.02810	1.8
98.95391	1.7
101.02319	26.8
106.88871	1.5
107.04897	4.4
110.06017	3.0
113.02335	8.5
115.00291	2.7
117.74288	1.4
119.03388	13.1
131.03374	5.7
133.74368	1.4
142.48082	1.6
143.03374	4.6
144.04451	24.9
146.64066	1.5
151.03894	3.6
151.06042	7.6
151.07240	1.3
160.88615	1.3
161.02324	3.1
161.04449	5.5
169.04865	1.5
179.05521	22.2
187.06012	2.4
221.06587	2.4
233.04688	6.3
233.12711	1.7
271.90823	1.5
277.11923	2.1
313.11392	100.0
314.11588	5.7
349.05746	10.2
349.09061	42.2
349.15024	3.1
350.09738	1.8
350.14468	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	349.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
59.01253	11.9
63.02269	8.1
65.00190	11.2
71.01251	7.6
73.02830	1.9
76.62612	1.8
76.73751	1.4
76.91776	1.8
78.43782	1.4
79.95621	5.0
83.01261	11.3
84.22139	1.6
88.38036	1.4
95.01257	2.2
96.95886	78.5
98.19805	3.0
98.95438	2.7
101.02329	3.6
107.01265	23.8
109.02831	7.7
113.02293	3.8
119.01261	3.3
121.02822	2.5
123.00697	2.2
123.04361	3.1
124.01541	2.3
125.02301	3.8
125.09600	17.6
133.02861	3.6
136.01540	13.5
145.08638	3.9
147.00758	8.4
148.01567	5.2
149.73190	1.6
151.00269	80.6
152.00960	5.9
153.01810	2.7
161.04503	1.6
163.00262	4.6
167.03389	3.9
169.01315	10.3
171.04410	2.6
175.03876	3.4
178.99771	53.8
179.03348	5.0
180.00084	2.4
183.04477	2.8
187.00247	1.9
187.03952	3.0
187.09665	33.3
199.03967	12.4
201.01837	4.6
203.03360	2.4
211.03900	1.8
211.09702	5.9
215.03535	2.1
221.00810	1.8
226.02734	2.4
227.03439	9.5
229.10741	3.0
231.02902	3.5
243.02943	14.4
255.03009	6.3
256.03589	3.8
271.02454	100.0
272.03082	18.9
273.03976	6.4
287.05545	2.7
289.12939	3.0
299.01959	67.4
300.02689	96.0
301.03384	22.5
302.03882	2.0
309.08362	1.7
309.37970	1.9
331.04559	76.9
332.04800	4.4
349.05960	2.1
349.14819	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	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45664	1.1
59.01252	100.0
69.03306	1.4
70.70142	2.5
70.70509	2.9
71.01257	1.2
83.04896	2.2
96.95901	10.8
135.04381	1.3
213.14917	3.3
273.18707	2.6
277.09167	1.3
278.01678	1.2
298.26157	1.2
298.66360	1.3
347.18518	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19046	1.5
59.01252	100.0
60.01586	1.5
61.98695	1.8
71.01253	1.8
71.58381	2.4
75.63515	1.7
77.81894	1.6
89.02274	1.8
96.95896	12.9
114.87770	1.7
217.00296	2.6
265.53967	1.9
314.57089	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1861
Annotation	sinularolide C
Peak:m/z	Relative Intensity
50.60965	0.9
59.01236	2.1
60.09709	0.8
67.05405	2.3
69.53412	7.2
78.95761	1.5
83.04901	1.4
85.02819	1.7
86.02330	0.9
91.62582	0.9
93.03356	1.0
96.95878	12.7
98.35457	1.0
113.18550	0.9
130.08658	2.2
183.13960	0.9
191.05515	1.7
216.06679	2.0
234.96121	0.8
242.55470	1.4
245.19081	6.3
273.18579	17.6
303.19650	11.5
304.19931	0.9
317.17542	6.7
347.18643	100.0
348.18948	12.1
354.95605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	2.7
71.01230	1.9
71.58323	2.1
71.58691	1.3
73.53889	1.0
74.23131	1.0
85.02824	1.1
87.18162	0.9
96.95900	6.5
101.02363	1.1
103.91892	1.2
107.04913	9.7
108.02044	1.4
123.04437	5.1
133.02831	6.1
133.06490	1.5
151.03908	18.8
183.13849	13.7
188.85269	2.9
188.94868	1.4
191.07104	3.5
195.13832	12.7
213.14891	100.0
214.15224	6.3
218.43810	1.1
266.03192	1.2
311.22165	1.4
331.50726	1.1
347.15094	2.2
347.18689	16.6
348.18951	1.7
358.22903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0555
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
62.96263	0.4
69.40797	2.9
78.95773	100.0
96.77387	0.3
96.96838	23.6
107.03516	0.8
111.14605	0.3
115.15001	0.3
121.34035	0.3
134.04610	13.1
138.97916	0.7
150.97926	2.5
171.95543	0.3
173.28923	0.3
185.03697	0.3
186.26759	0.3
192.98982	0.7
211.00058	5.9
236.40262	0.3
301.00034	0.3
305.22443	0.3
346.05560	46.2
346.36453	0.4
347.05826	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	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37197	10.3
59.01249	100.0
61.98700	14.8
70.02484	47.4
71.01258	14.0
96.95892	50.0
119.76256	12.6
123.04381	70.3
132.98105	12.5
133.30589	13.0
171.10202	15.4
186.85522	56.3
186.88289	24.7
186.95549	27.6
202.98589	24.6
206.94962	13.9
244.68895	11.7
248.10452	20.8
248.95992	33.8
290.97040	76.6
291.19562	42.1
309.20764	72.2
310.20877	16.3
341.07883	12.5
345.16843	24.7
345.20718	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	345.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	8.6
57.03320	10.7
58.00462	5.3
59.01249	74.6
69.03328	5.3
70.42732	4.3
71.01250	100.0
71.04887	3.5
72.99167	7.5
73.02816	35.8
75.00738	4.2
76.74880	1.8
79.09136	2.2
80.96383	4.3
83.00846	2.3
83.01260	19.7
83.03585	1.8
85.02822	54.3
85.99964	3.2
87.00745	11.7
89.02315	25.6
95.01237	8.9
96.95892	17.2
97.02818	4.3
98.95460	22.9
98.96069	2.2
98.96355	2.7
99.00752	19.0
100.05636	1.7
100.95336	2.5
100.95891	8.1
101.02325	90.5
102.02633	2.5
111.00776	3.2
113.02325	42.7
119.03347	7.1
125.02316	2.4
126.88100	1.9
129.01788	2.3
143.03392	5.5
159.02907	7.8
161.04465	24.6
171.10088	3.8
180.06006	2.0
185.00774	2.9
253.17943	3.2
271.19257	2.5
345.10580	3.1
345.15344	5.8
345.19043	14.7
345.22772	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	345.1704
Annotation	Isorosmanol
Peak:m/z	Relative Intensity
51.68475	0.4
57.03321	1.2
59.01242	2.9
65.03806	0.6
66.23199	0.4
69.03325	1.8
70.15342	1.1
70.15742	1.3
81.03326	1.1
83.01242	2.2
83.04887	3.0
84.02036	4.3
85.02816	5.2
85.06448	0.7
95.04934	0.6
96.95892	3.6
97.02829	5.1
97.06464	0.6
109.02807	3.5
110.03544	0.6
111.04400	2.1
115.63156	0.5
123.04386	2.5
134.03607	0.7
155.08568	1.1
157.10161	0.6
168.74307	0.5
171.10196	1.1
172.46843	0.4
223.14796	0.7
241.15884	2.0
243.17511	4.7
253.15994	1.4
269.15482	3.2
271.17001	44.8
272.17355	4.3
301.18085	5.3
305.91757	0.5
315.15988	22.2
316.16373	1.6
345.17023	100.0
346.17313	9.2
347.16052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18478	11.7
59.01250	100.0
69.88228	21.3
69.88630	56.3
78.38256	13.6
78.95779	18.1
85.02794	13.6
85.61223	12.4
96.95872	31.3
98.20472	17.4
123.04387	49.8
186.85577	71.5
186.95520	36.6
192.93088	12.5
202.98546	29.8
211.13159	17.9
248.10408	19.7
248.96048	32.6
274.93835	15.7
287.24133	17.4
290.97128	60.7
291.19666	33.8
309.20615	82.8
327.19693	18.3
344.94513	22.8
345.13516	27.9
345.20453	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01750	2.0
57.03328	2.6
58.00469	4.4
59.01253	100.0
59.72815	1.4
62.22125	1.4
62.35463	1.5
69.44798	11.4
69.45220	2.6
71.01255	69.3
72.01566	1.5
72.99186	4.0
73.38680	1.6
81.41616	1.4
83.01258	2.2
83.70618	1.5
85.02814	12.6
87.00761	3.9
89.02319	68.5
95.01270	3.3
96.95892	14.2
101.02328	36.5
107.04922	5.1
113.02334	20.0
119.03388	31.8
120.03740	1.7
121.02890	2.3
121.10128	36.6
122.10477	2.7
123.04414	1.8
131.03381	3.6
133.02890	2.1
134.03598	2.8
135.04414	16.1
143.03401	4.2
146.03653	2.8
157.16008	1.8
161.04469	4.3
165.05495	4.1
179.03499	2.0
179.05511	5.8
183.10167	4.0
191.05582	3.8
225.18808	1.5
243.12415	3.2
297.11429	1.7
315.08643	2.2
345.10199	3.0
345.15536	17.8
345.22705	3.1
354.83075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
59.01247	6.1
62.14495	0.6
63.53555	0.6
69.19951	0.7
71.57324	0.6
71.57746	1.0
73.02816	64.6
74.03135	1.2
78.95757	2.4
79.95615	1.1
86.02293	0.6
88.44579	0.7
96.95891	17.3
98.95448	1.7
105.89877	0.6
123.04388	2.9
134.03603	1.8
139.07545	2.1
140.31444	0.8
142.24948	0.6
171.10146	1.3
183.06540	0.9
211.13269	1.0
217.12062	0.7
219.13847	40.6
220.14201	2.5
245.11780	2.1
263.12866	100.0
264.13168	7.9
290.97189	1.2
295.97351	0.7
301.13983	0.9
327.15891	0.9
345.01291	1.0
345.09030	1.3
345.13181	13.3
345.17032	1.8
345.22726	10.2
346.13654	1.2
346.17502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1711
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
55.31223	0.3
57.02376	0.3
58.75994	0.3
59.01247	12.8
65.64250	0.3
69.03323	0.4
71.01254	1.3
72.04413	3.6
74.02338	100.0
75.02668	1.1
76.33538	0.3
89.02305	0.8
96.95892	1.0
97.51396	0.3
98.95449	0.7
101.02301	0.8
108.04476	0.4
112.07578	0.6
113.02327	0.8
114.24820	0.3
116.03412	43.4
117.03760	1.0
119.03468	0.4
121.10110	0.4
137.02341	0.6
184.82045	0.3
202.89102	0.3
207.13643	0.4
225.14839	2.3
227.12814	5.2
264.16003	0.9
266.13989	2.2
269.13928	0.7
282.17206	1.4
284.15012	7.1
301.11905	0.6
308.14923	0.8
326.16083	6.5
327.16486	0.6
344.17099	61.5
345.10681	0.5
345.17633	4.6
350.02649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2852
Annotation	Phytophthora mating hormone alpha1
Peak:m/z	Relative Intensity
53.90715	0.2
58.00458	0.5
59.01241	0.2
70.15966	0.2
70.18996	0.7
118.70441	0.2
128.67168	0.2
139.11194	0.3
141.12749	3.7
142.13075	0.2
144.63631	0.2
150.56377	0.2
153.12764	0.5
155.14319	2.6
169.12273	0.4
171.13826	1.9
183.13837	1.2
185.15402	0.5
199.13367	2.6
200.13651	0.2
211.13318	0.4
228.51503	0.2
229.14378	1.3
295.26166	0.4
307.26508	1.8
323.25980	0.9
325.27460	9.1
326.27722	1.1
339.25284	0.4
341.26978	4.9
342.27408	0.5
343.28519	100.0
344.28860	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.12045	0.9
58.00465	2.0
59.01250	9.8
69.53271	6.2
69.53681	2.1
71.01242	2.2
81.03275	1.0
83.04894	1.6
90.33627	0.9
96.59152	1.0
96.95889	1.0
98.19772	2.0
98.67046	0.9
101.02346	1.5
101.11150	1.1
111.38032	1.0
121.02844	2.5
121.10082	1.1
125.09615	6.7
127.11170	8.3
135.93695	0.9
137.09605	1.7
139.11189	6.5
140.89536	2.2
155.10640	1.6
165.09161	2.6
171.10179	25.6
172.10632	1.1
184.88583	2.8
192.95723	1.3
199.09590	1.8
201.02484	2.5
201.11238	45.1
202.11540	1.6
235.75946	1.0
251.05952	1.1
275.20123	3.3
293.21216	2.8
311.22229	5.1
343.21680	3.9
343.24872	100.0
344.25223	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01241	3.0
66.60014	0.4
69.03317	0.5
70.11086	1.3
70.11499	0.8
71.01254	0.8
82.84517	0.4
83.04936	0.9
97.06459	0.9
99.08031	5.2
113.09602	0.5
120.25102	0.4
121.02818	0.9
121.10109	4.8
125.09593	1.3
127.11156	1.4
137.09608	1.6
139.11165	1.4
151.11119	0.5
171.10176	34.0
172.10472	1.7
174.46645	0.4
175.11153	0.5
184.88631	0.8
193.12257	8.1
197.15421	0.8
201.02490	1.3
202.96317	0.4
211.13243	1.1
225.14908	12.4
226.15138	0.5
243.15930	3.9
243.44948	0.4
244.16319	0.4
245.05743	0.4
289.18179	0.8
293.21252	2.1
337.83966	0.4
343.24863	100.0
344.25244	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.4
70.32423	1.2
78.35552	0.5
79.06126	0.6
83.04893	0.9
90.79829	0.5
92.43114	0.6
97.06432	0.6
99.08035	5.5
113.78780	0.5
121.10136	5.0
125.09620	2.0
127.11173	1.3
134.17242	0.6
137.09625	1.8
139.11142	0.9
165.12738	1.2
171.10168	35.2
172.10512	1.3
175.11226	0.6
193.12274	10.4
195.13701	0.6
205.34242	0.6
211.13467	2.7
225.14899	13.1
243.15913	4.5
248.23280	0.6
293.21136	2.7
311.22165	0.8
325.23956	1.0
343.24857	100.0
344.25183	8.9
353.54251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93354	0.4
59.01242	1.4
70.82207	0.6
70.82573	1.1
71.01247	0.9
113.09565	0.5
121.02856	0.5
121.10114	9.6
125.09589	0.7
127.11154	2.8
137.09616	1.6
139.11179	1.8
153.09128	0.8
165.09134	1.2
169.62575	0.4
171.10170	67.8
172.10507	2.5
201.02405	0.5
281.23743	0.4
293.21252	1.0
300.79453	0.4
340.83432	0.4
343.24860	100.0
344.25198	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03323	2.9
57.35022	0.5
59.01245	2.8
69.03327	1.6
69.75760	3.2
71.01264	2.7
71.04881	2.1
73.02807	1.2
79.95570	0.5
80.02533	0.6
81.03330	1.6
83.04900	6.1
85.02832	5.5
85.06469	1.2
87.04385	0.5
93.03323	1.0
95.04900	3.3
96.95889	4.9
97.02859	0.7
97.06465	2.7
98.02306	0.5
98.95465	3.1
101.05979	0.6
103.75235	0.5
108.02067	0.7
109.06480	0.9
110.03580	0.8
111.04440	0.6
111.18970	0.5
113.05958	1.2
115.07551	0.6
121.16915	0.5
123.08054	2.0
125.09607	2.3
127.11217	0.8
135.08023	1.5
137.02304	0.6
137.09558	0.8
141.09082	0.9
153.09099	0.9
161.05925	0.6
163.03926	1.1
163.11188	1.2
165.12779	2.9
167.14301	0.9
167.59860	0.6
171.10184	13.5
172.10588	0.7
177.12750	1.7
179.30704	0.5
181.12350	0.6
183.08008	0.5
183.13820	3.6
185.11737	1.4
193.12267	1.3
195.13646	0.6
196.11278	0.6
197.11681	1.2
199.13138	0.6
201.11313	2.4
203.10730	0.7
209.11757	6.6
211.13330	12.8
212.04736	0.6
221.11752	4.5
223.13329	0.8
227.06888	0.7
227.12885	3.1
229.14401	13.9
237.14944	0.7
239.12947	3.0
240.04147	1.0
241.05115	1.2
245.14052	0.6
245.19028	0.6
249.14871	0.8
255.06592	3.3
265.04996	0.6
283.06100	6.6
283.09772	1.6
284.06528	0.7
289.18161	1.8
295.06210	1.3
298.08459	4.0
299.08826	1.1
307.19177	2.0
310.08398	1.3
313.07352	0.9
313.10791	7.1
325.10669	1.9
325.20258	4.1
328.09537	0.8
343.12344	5.0
343.21237	100.0
344.21570	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	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03317	1.5
59.01259	1.7
60.10358	0.3
65.03844	0.4
69.03319	0.8
71.01254	0.8
71.04900	1.3
71.30080	0.6
73.02810	0.3
79.95636	0.3
80.02538	0.5
81.03324	0.8
83.04448	0.4
83.04903	4.7
84.02045	6.0
85.02829	2.3
85.06445	1.8
87.04394	1.7
93.53509	0.2
95.04901	8.2
96.05246	0.5
96.95883	5.4
97.06468	1.1
98.95455	0.7
99.04356	0.6
99.08026	0.3
105.06965	0.5
106.04086	0.3
107.04918	0.2
109.06457	0.5
111.04385	0.8
111.08056	0.3
111.66574	0.3
113.05960	3.0
115.03931	0.3
121.02747	0.4
121.06503	0.5
123.08054	2.8
125.05956	0.3
125.09646	2.4
127.11189	2.2
135.08023	0.7
137.09645	0.4
139.11223	0.3
155.10675	0.4
155.14288	0.6
163.11160	0.4
165.12764	0.6
167.10707	0.3
167.14310	1.0
168.14622	0.3
169.12253	0.4
171.10184	9.7
172.10503	0.5
177.12766	0.4
183.13834	2.2
185.11739	0.8
193.12271	1.1
195.13768	0.4
197.11801	0.6
199.09627	0.4
199.13307	0.6
201.11263	10.7
202.11627	0.5
203.10583	0.3
209.11765	3.5
211.13335	13.6
212.04797	0.3
212.13678	0.7
219.13979	0.2
221.11794	0.9
225.24641	0.3
229.14404	29.8
230.14743	1.7
235.13371	0.7
237.14931	2.3
239.12909	0.8
240.04254	5.8
241.04567	0.5
249.14845	0.9
255.06560	2.2
255.16048	0.3
267.15948	0.9
289.18118	0.7
299.05585	2.3
300.05792	0.3
302.46530	0.3
307.19086	0.6
307.42548	0.2
325.20215	2.7
343.08560	3.7
343.21237	100.0
344.08810	0.3
344.21585	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2122
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03315	4.3
59.01255	7.5
63.95422	1.3
70.89689	2.6
70.90024	2.7
71.01262	1.5
71.04846	1.5
73.02816	2.7
79.05396	2.0
81.03338	1.9
83.04893	3.8
84.02049	1.5
85.02863	2.7
85.06448	1.9
87.04366	1.5
91.99274	1.4
95.04898	6.3
96.95872	8.1
97.06467	4.8
106.04060	1.2
111.04435	1.6
113.05972	1.6
123.08105	2.2
125.09595	4.4
135.08073	3.0
143.06981	1.6
171.10172	19.6
183.13841	2.6
185.11784	5.1
201.11339	6.3
209.11792	8.5
211.13358	11.8
215.12874	1.4
221.11719	1.9
227.12798	3.1
229.14384	12.3
235.13496	1.9
236.02815	1.4
237.14862	3.3
239.12889	3.1
249.14902	4.8
267.15991	2.7
305.46118	1.3
307.19150	2.6
325.20200	5.9
343.08578	8.5
343.21246	100.0
344.21616	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.14035	0.9
57.03331	5.1
59.01249	2.0
59.85864	0.9
69.03316	1.3
71.01252	1.1
71.04881	2.4
73.73791	0.8
81.03301	1.4
83.04885	3.9
84.02024	4.3
85.02812	4.1
85.06443	2.2
87.04401	8.3
95.04903	6.4
96.95889	3.7
97.06484	2.9
98.20589	1.7
98.95499	5.8
98.96075	1.1
98.96274	0.8
99.04369	0.9
109.06493	1.5
113.05970	2.3
115.07648	0.9
123.08042	1.3
125.09590	2.3
127.11164	2.1
128.51816	0.8
135.08029	1.4
153.09146	1.0
155.14259	1.0
162.82164	0.8
163.11206	1.2
167.14313	1.6
171.10187	15.9
172.10468	1.2
183.13860	5.4
185.11885	1.1
191.14346	0.9
192.84100	0.8
193.12253	2.4
193.15932	2.1
199.13348	1.0
209.11760	6.2
211.13329	23.7
212.13783	1.4
221.11833	1.3
223.13437	1.1
229.14407	23.9
230.14784	2.3
235.13268	0.9
237.14931	39.4
238.15219	2.7
240.04031	1.1
249.14909	3.2
255.16039	1.9
267.15958	1.5
272.83838	0.9
278.83582	0.9
284.03076	1.1
289.18106	3.8
307.19174	2.0
325.20193	21.3
326.20465	2.6
343.21237	100.0
344.21631	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01516	0.9
59.01250	100.0
60.29953	0.8
65.25442	0.8
71.01259	8.8
71.06738	2.0
72.99193	1.0
80.96375	1.0
85.02837	1.3
89.02319	8.1
96.95890	2.2
101.02308	2.8
113.02348	2.8
118.98002	1.9
119.03393	2.3
119.56789	0.9
120.99514	1.0
126.11136	1.2
126.12315	0.9
134.04640	1.9
142.06474	1.3
227.12898	1.7
267.16898	1.2
343.21219	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	343.1551
Annotation	CHEBI:68195
Peak:m/z	Relative Intensity
59.01247	8.0
60.60875	1.1
63.05706	1.0
69.28364	8.1
69.28778	3.3
71.01249	2.6
71.19647	1.1
89.02327	1.7
93.03311	1.3
96.95894	2.1
103.91922	1.6
113.02318	1.4
115.07552	1.3
121.02866	2.9
121.52796	1.2
129.09152	1.5
133.02841	1.4
136.93948	1.4
140.89574	1.6
141.09116	2.6
151.11191	2.1
171.10178	7.5
176.73712	1.3
178.04294	1.2
178.94925	1.3
184.88585	2.0
201.02493	2.7
213.11269	2.8
215.12773	1.7
255.17516	3.7
299.16550	25.2
300.16922	1.5
307.19089	1.8
325.20300	1.4
343.15491	100.0
343.24503	4.1
344.16031	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.9
71.58450	2.1
73.02822	1.9
83.04886	4.2
96.95872	9.6
99.04433	1.8
111.04396	25.5
113.37103	1.2
117.12012	1.2
121.02773	1.8
126.88016	1.5
151.07368	1.8
163.07520	5.9
171.10175	2.5
171.11617	1.4
173.13248	17.9
175.07582	7.3
175.11177	2.2
189.09088	1.4
189.12714	2.1
199.11197	4.3
217.12285	100.0
218.12675	6.5
245.13933	1.7
261.11298	55.8
262.11591	5.1
343.08020	8.6
343.12054	8.2
343.21234	15.4
349.00485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82724	1.0
59.01248	9.1
71.01266	1.4
71.44651	1.5
79.43896	1.1
80.96424	1.6
83.04893	1.3
92.31660	1.0
93.03348	2.5
96.95889	6.7
104.80177	1.0
109.02815	1.2
113.02280	1.0
116.07031	1.2
121.02843	13.9
121.61874	1.0
124.01566	3.0
130.08609	2.1
137.02299	6.0
138.03133	9.8
139.03905	100.0
140.04254	3.3
147.95673	0.9
149.10791	0.9
175.33983	1.2
181.05042	1.3
197.71510	0.9
309.14514	3.5
326.17252	1.2
343.10156	3.3
343.13980	2.1
344.08121	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	343.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05367	0.7
59.01251	6.8
60.50652	0.7
69.38281	2.1
69.38695	6.1
71.01263	0.9
79.11072	0.7
79.36365	0.8
83.04906	1.2
94.76506	0.8
95.76915	0.8
96.95898	3.7
97.02863	0.8
98.95439	1.3
99.04402	0.9
100.80056	0.7
107.07630	0.7
111.04419	1.5
111.08006	0.9
117.07001	1.0
121.02857	1.7
131.08455	0.9
141.09087	1.6
145.01309	1.3
147.01790	0.9
157.86198	1.3
163.07484	1.2
171.10269	1.3
171.11664	1.4
173.13277	9.8
199.11244	3.1
201.02193	1.0
201.11244	3.0
217.12267	32.6
218.12541	2.1
245.13632	1.0
255.14749	0.8
261.11282	100.0
262.11606	8.6
283.09344	1.1
325.20401	1.1
343.08679	1.3
343.11951	7.6
343.21271	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82482	0.4
57.03293	0.9
58.64458	0.5
59.01247	10.9
67.01741	0.5
69.03313	1.8
70.80793	0.7
70.81097	0.6
71.00888	0.6
71.01247	7.9
71.04889	1.9
79.95581	0.5
81.03317	1.9
83.04890	2.0
84.02033	14.8
85.02808	1.3
89.02305	8.0
91.65971	0.4
95.04913	0.6
96.95879	2.1
97.02822	9.5
97.06441	5.3
99.04385	4.9
99.08069	0.4
101.02308	3.4
103.75090	0.5
109.06470	0.6
110.03595	0.6
111.08046	0.8
113.02309	3.2
119.03362	2.4
119.08543	2.5
125.09564	1.3
127.11171	1.8
131.03391	0.6
135.08008	1.6
137.09601	1.9
139.57768	0.4
143.03369	0.7
149.13300	0.4
151.07535	0.8
161.04424	0.8
171.10164	52.8
172.10529	1.8
175.11179	0.6
179.05516	2.4
179.06909	0.5
185.11842	0.4
193.12245	7.7
195.13876	0.6
211.13329	1.8
221.11693	0.5
225.14891	8.4
226.15254	0.6
235.13364	2.1
239.12894	0.9
243.15869	3.9
253.14394	5.1
287.16525	1.3
291.19653	5.7
301.04596	0.4
305.17538	1.0
305.21225	0.5
323.22305	0.6
341.11038	2.5
341.23279	100.0
342.23627	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06545	0.4
59.01245	3.5
67.36333	0.5
69.03321	2.2
70.29910	1.5
70.30320	1.0
71.01242	1.9
75.18340	0.5
83.04900	1.3
84.02038	8.1
87.12377	0.6
89.02306	1.6
95.04905	1.1
97.02824	2.2
97.06466	9.6
98.33044	0.5
99.04382	2.2
99.16771	0.6
119.03388	0.7
119.08567	0.7
125.09604	1.8
127.11185	1.0
129.52835	0.5
137.09619	0.9
149.13255	0.5
165.12759	1.3
171.10168	23.8
172.10622	0.8
175.11160	1.0
179.05504	0.6
183.13806	2.1
193.10452	0.7
193.12254	14.0
211.13383	4.0
217.50468	0.5
221.11734	1.0
221.75110	0.4
225.14902	19.9
225.17110	1.0
226.15187	0.9
243.15916	7.5
244.16461	1.0
253.14388	1.4
291.19595	1.6
323.22086	1.0
331.70612	0.5
341.23276	100.0
342.23599	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62914	0.5
57.03319	0.8
59.01248	16.0
61.98722	0.5
68.16615	0.5
69.03318	2.3
70.34166	2.1
71.01249	10.1
72.99184	0.9
82.21973	0.6
82.24444	0.6
83.04887	0.6
84.02038	21.3
85.02818	1.4
87.00727	1.3
89.02312	12.9
94.90498	0.5
96.95881	3.7
97.02831	7.2
97.06492	0.6
99.04394	5.1
101.02316	5.3
104.05160	0.5
112.98726	0.5
113.02335	3.7
119.03368	4.8
119.08580	2.7
119.09303	0.5
125.09634	1.5
127.11179	1.6
131.03400	1.2
135.08023	1.7
137.02267	0.6
137.09612	2.6
143.03398	0.9
160.38940	0.6
161.04433	2.1
171.10173	63.5
172.10493	3.5
179.05508	5.7
199.13376	1.2
225.15005	0.9
239.12889	1.1
253.14359	1.2
291.19650	1.8
341.11017	4.8
341.23282	100.0
342.23660	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.3
57.03311	5.1
59.01247	32.6
65.00179	4.0
67.01734	2.5
69.03336	7.5
69.93539	6.1
69.93951	3.3
71.01250	22.8
71.04886	32.4
79.95597	4.6
80.02507	2.0
81.03326	34.1
83.01246	3.1
83.04897	20.0
85.02808	5.3
87.00750	9.6
89.02305	25.0
93.03358	2.6
95.01258	4.2
95.04887	12.2
96.95884	58.7
97.02836	7.5
97.06447	3.6
98.03611	2.1
98.19765	1.7
98.95464	13.8
99.04391	32.9
101.02328	9.7
107.01247	3.5
107.04913	2.4
108.02056	3.1
109.02817	5.5
109.06480	8.2
111.04394	7.3
113.02311	6.7
113.05974	1.9
117.03336	3.2
119.03424	8.6
121.02853	3.5
121.06490	3.3
123.04447	2.2
123.08001	2.9
125.02309	9.2
125.09620	4.1
133.02849	2.9
133.06483	2.6
135.04375	4.8
136.05112	1.7
137.02345	3.1
137.06094	2.0
137.09633	2.0
139.00266	1.7
143.03519	2.3
147.04369	1.9
151.00252	12.1
151.07518	10.1
152.03365	2.1
153.01816	6.5
153.09146	3.5
155.10638	2.5
161.04445	3.5
161.05904	1.8
162.03116	9.4
163.00255	3.6
163.03957	12.1
165.09155	2.0
166.99786	1.5
171.10164	36.0
173.09607	3.9
178.99747	1.9
179.03384	1.5
179.05519	9.2
179.06943	2.4
180.02870	3.9
181.01469	1.9
185.11703	1.9
189.12788	5.0
190.01317	2.3
191.14288	5.7
192.00674	2.2
193.12268	18.1
199.13332	2.7
206.00816	2.5
207.13712	2.2
209.11760	3.4
211.13377	4.6
213.05544	1.7
216.91003	1.8
222.03926	2.8
233.11798	3.6
235.13336	40.9
236.13635	3.1
239.12949	2.0
243.17462	4.4
249.14873	2.1
253.14426	100.0
254.14685	5.0
255.03004	4.1
255.97307	1.8
257.04395	2.7
265.14438	1.9
269.04553	7.8
271.02475	1.9
283.02478	3.8
284.03198	3.6
285.03976	4.3
286.04343	3.8
287.16473	23.5
288.16879	1.7
297.04028	2.9
298.07114	1.9
300.05209	4.8
301.03470	6.6
305.17523	13.4
311.09229	1.8
315.04898	5.3
323.18549	6.8
324.05164	2.4
340.97043	2.4
341.11200	10.6
341.19620	19.8
342.02151	1.9
342.06082	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61949	2.1
57.03320	6.3
59.01250	36.5
67.01759	2.2
69.03342	6.0
69.42448	12.4
69.42858	6.3
71.01255	24.7
71.04891	39.6
72.99187	2.3
78.95763	2.5
79.95629	2.4
81.03325	33.9
81.70297	2.1
83.04893	28.3
84.02064	2.5
85.02820	4.1
87.00760	5.0
89.02320	29.6
91.27676	2.1
95.01284	3.2
95.04901	15.8
96.95896	16.9
97.02827	7.7
97.06473	5.8
98.95472	10.0
99.04395	46.5
101.02309	13.4
107.04919	2.8
108.02060	2.3
109.02845	8.0
109.06469	7.6
111.04408	7.0
113.02326	7.9
113.05930	3.2
119.03419	7.4
121.06461	4.1
122.06743	2.3
123.08027	3.1
124.40794	2.4
125.09571	4.1
133.06516	5.6
135.04405	4.9
135.07991	2.6
137.05927	2.6
140.15416	2.3
145.01314	10.4
151.07562	15.3
153.09148	4.6
161.04500	2.3
165.09132	4.1
171.10181	43.4
172.10565	3.5
179.03358	6.0
179.05492	8.2
185.11781	3.6
189.12720	3.6
191.14339	7.0
193.12282	18.4
199.13319	3.5
211.13377	5.3
217.12228	3.1
233.11786	5.3
235.13365	48.3
236.13614	3.5
243.17503	5.8
249.15068	2.9
251.12961	3.3
253.14430	100.0
254.14790	8.7
282.35382	2.1
287.16483	33.0
288.16965	2.3
305.17593	21.5
313.61633	2.1
323.18704	11.1
341.10822	8.3
341.15204	6.8
341.19479	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	341.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03222	2.9
57.03315	10.9
59.01244	52.1
69.03324	5.6
69.28098	8.8
69.28523	18.6
71.01248	36.8
71.04887	51.8
72.99149	2.7
76.05527	2.5
77.10472	2.9
79.10583	2.6
79.95612	3.3
81.03326	45.8
82.17464	2.6
83.04887	30.6
84.02055	2.9
87.00735	5.9
89.02318	47.3
95.01271	5.6
95.04903	18.0
96.95896	27.5
97.02833	8.1
97.06480	4.7
98.95473	24.4
98.96306	5.1
99.04382	45.2
99.04976	3.4
101.02334	12.0
102.41890	2.9
109.02835	7.0
109.06454	10.3
110.03603	3.0
111.04406	9.7
113.02341	16.0
115.00273	4.0
119.03407	17.1
123.08082	6.0
125.09615	4.3
127.00248	4.3
131.03368	3.5
135.04376	6.3
137.05884	3.5
145.01279	15.7
151.07593	17.1
153.09166	3.8
155.10663	3.9
165.09050	4.1
171.10181	43.6
175.11140	3.9
179.03435	3.1
179.05554	9.8
185.11574	3.6
187.07675	3.8
189.12782	7.6
191.14359	9.2
193.12215	22.1
199.13287	4.0
207.13800	4.8
209.11755	3.4
213.14944	4.0
215.10873	2.5
217.12309	3.6
235.13342	58.9
236.13805	3.2
243.17548	7.5
249.15099	4.8
253.14410	100.0
254.14714	8.1
261.11450	2.8
287.16501	40.8
288.16830	3.4
305.17545	22.9
311.65942	2.9
323.18604	11.4
341.07278	3.3
341.10928	15.0
341.15482	8.8
341.19305	13.3
341.23328	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	341.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03312	0.4
58.00457	0.9
59.01246	24.2
65.71434	0.4
68.99696	2.4
70.33812	1.6
71.01249	23.4
72.99171	7.0
73.02826	0.6
75.00745	0.7
75.41975	0.5
77.20880	0.4
83.01252	13.7
83.04884	0.4
85.02824	1.0
87.00747	11.4
89.02310	13.0
96.95892	4.8
96.99200	2.9
97.06458	0.6
98.20438	0.5
98.95463	0.9
99.00747	8.7
101.02317	7.5
112.98698	0.7
113.02322	4.0
113.53710	0.4
114.02631	0.4
115.00249	34.2
116.00530	0.4
119.03378	4.8
127.00261	17.4
128.00566	0.5
135.04422	2.5
143.03368	1.2
145.01321	100.0
146.01685	2.4
149.04414	0.7
154.86223	0.4
161.02306	0.8
161.04448	2.0
167.14282	0.8
179.03404	1.6
179.05513	5.9
181.12169	2.8
183.13837	6.2
195.13814	4.1
209.15282	0.5
211.13435	0.5
213.14883	24.5
214.15283	1.7
253.08929	1.0
253.14185	0.5
263.16373	0.7
269.09811	0.7
274.58078	0.5
297.07944	6.5
298.08231	0.7
305.17593	0.5
311.15207	0.7
341.07126	9.2
341.10983	4.6
341.15988	33.9
341.19232	1.3
341.23083	1.8
342.07358	1.0
342.11353	0.4
342.16367	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.7
57.03344	2.3
58.00462	2.8
59.01250	92.5
69.03333	1.9
70.44972	3.3
70.45379	3.1
71.01250	72.8
72.99187	4.3
73.02818	30.5
81.86512	1.4
83.01245	9.5
85.02825	14.6
87.00733	2.5
89.02313	37.5
95.01266	4.7
96.09719	1.5
96.95885	100.0
98.15295	1.6
98.48763	1.5
101.02316	38.4
101.02991	1.9
103.95954	1.5
107.00709	1.5
113.02332	31.6
119.03404	14.8
119.04911	23.4
131.03398	3.6
135.04407	3.7
135.08028	11.9
138.05527	2.1
143.03429	5.0
149.04486	3.3
161.04459	7.0
169.10710	1.6
179.03429	4.5
179.05551	11.1
179.06911	2.5
184.88696	1.6
210.10704	2.2
250.43416	1.7
260.19913	1.5
281.10309	8.2
299.11273	2.4
308.73260	1.5
313.01636	1.6
328.50409	1.7
341.06958	45.1
341.10953	13.8
342.07407	2.7
342.11542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17711	0.9
57.03307	0.9
58.00465	2.9
59.01249	100.0
68.01301	2.1
69.03329	1.8
69.75695	0.8
71.01249	63.9
71.26015	0.7
71.57573	1.1
71.57964	0.8
72.99175	2.2
73.02814	51.9
75.00760	1.1
78.95778	2.6
81.03322	1.3
81.74667	0.8
83.01262	13.3
85.02824	6.9
85.32404	1.0
85.52905	0.9
87.00750	7.7
89.02315	30.3
95.01271	1.6
96.58778	0.8
96.95882	37.8
97.02834	1.5
98.95450	1.2
99.00781	1.3
101.02315	47.6
107.04882	1.1
113.02325	17.1
118.97970	1.1
119.03406	10.3
119.04901	15.6
123.03139	4.1
125.02375	1.8
131.03345	5.2
135.04399	7.5
137.04843	0.9
137.05975	2.7
138.05499	71.7
143.03384	3.7
149.04457	3.8
152.07065	1.2
152.99480	1.6
155.03360	1.4
161.04446	9.5
173.09561	1.7
178.33548	0.9
179.03445	7.9
179.05505	9.7
180.06567	2.6
185.34680	0.9
260.32202	1.0
299.11212	1.0
337.71545	0.9
341.06885	2.0
341.11060	10.5
341.20493	1.2
342.11862	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.20433	0.5
55.01751	1.1
57.03313	2.1
58.00460	3.7
59.01247	100.0
60.01581	0.9
69.46085	4.3
71.01248	71.4
72.01571	0.7
72.99191	3.8
73.02811	1.9
75.00730	0.7
76.08105	0.6
83.01264	2.0
85.02824	9.1
87.00748	4.6
89.02311	87.7
90.02642	1.6
95.01252	4.3
96.95903	1.1
96.96865	0.7
98.95490	1.3
99.00775	0.6
100.91172	0.5
101.02314	33.5
102.76837	0.5
107.03371	0.8
113.02325	26.9
119.03383	28.8
125.02369	0.9
131.03387	5.2
135.04430	2.3
143.03410	8.0
149.04480	2.7
161.04456	10.1
179.03499	2.0
179.05524	31.3
180.05887	0.8
197.09628	0.6
341.10892	37.1
342.11227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
54.87601	5.1
59.00984	5.0
59.01245	31.8
70.74730	4.7
70.75072	10.0
71.01270	28.8
79.42077	4.1
89.02296	30.7
99.74148	4.3
101.02298	16.8
113.02325	12.1
119.03352	9.2
126.58215	3.9
135.04404	83.0
179.03407	100.0
179.05473	11.5
217.64038	4.4
241.39203	5.0
276.88724	4.2
280.05170	4.6
341.10712	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01757	1.3
56.75937	1.0
57.03310	2.2
58.00453	3.8
59.01248	100.0
60.01576	1.2
70.92137	2.1
70.92508	2.0
71.01251	70.4
72.99177	4.4
73.02824	2.1
74.47079	1.1
83.01256	3.2
85.02826	8.0
86.29990	0.9
87.00750	3.8
89.02314	91.1
95.01247	3.6
99.00681	1.1
101.02316	33.6
113.02324	29.6
119.03390	31.3
125.02307	1.0
131.03375	3.8
135.04485	1.3
139.74458	1.2
143.03404	7.9
149.04431	2.5
161.04485	10.2
179.03255	1.9
179.03720	1.6
179.05525	33.6
281.08820	1.0
341.10876	32.6
342.11041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01245	2.5
62.10886	0.3
65.95586	0.2
69.20003	0.2
71.01261	1.5
71.44492	0.5
72.10618	0.2
78.95790	0.3
79.95663	0.3
85.02855	0.3
87.00759	1.2
89.02300	2.1
93.03365	0.5
95.01215	0.2
96.95876	2.2
96.96809	0.4
98.71452	0.3
98.95479	4.0
98.96304	0.7
101.02333	1.0
107.04913	0.7
109.02833	0.4
109.46055	0.3
113.02316	1.0
117.03334	0.3
119.03380	0.8
123.04438	0.3
133.02846	0.8
134.03610	2.8
135.04405	95.1
135.95053	0.3
136.04745	3.2
137.02348	1.9
138.05556	0.3
139.03906	0.7
161.02383	1.7
179.03407	100.0
180.03769	3.9
262.62024	0.3
341.05072	2.4
341.08713	11.0
342.09183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06430	1.3
59.01250	15.9
71.01250	13.3
71.18514	3.2
75.05270	1.3
85.02818	2.5
89.02319	13.4
96.95879	8.9
98.95473	12.5
101.02325	4.4
113.02296	3.4
119.03384	5.3
134.03590	3.9
135.04411	91.9
136.04724	3.4
137.02336	22.6
143.03363	2.0
179.03418	100.0
179.05399	4.6
180.03763	4.0
197.09657	4.6
206.22617	1.3
221.66556	1.4
230.98605	1.5
281.06665	2.0
318.54575	1.4
341.08694	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.7
60.96180	1.0
70.00008	4.7
71.01251	28.2
72.99185	1.3
73.02820	22.8
83.01249	7.2
84.16608	1.0
84.65499	1.0
85.02821	3.3
89.02328	9.2
92.55954	0.9
93.03342	19.7
95.01260	1.4
96.95898	5.9
98.95471	5.0
99.00744	1.4
101.02318	16.4
107.04909	1.3
112.24521	1.0
113.02345	8.5
119.03392	3.2
121.02816	1.8
125.02304	1.4
131.03442	1.2
133.02802	1.1
134.03658	3.1
135.04427	89.3
136.01523	2.4
136.04723	4.1
137.02350	43.5
137.26466	1.1
138.02686	1.2
146.32074	1.1
147.04414	1.5
147.13380	0.9
149.02351	2.2
149.04185	1.1
151.03903	2.8
160.07642	1.0
161.02263	1.6
161.04465	1.4
179.03429	100.0
180.03697	4.1
191.03447	1.8
221.04454	1.7
281.06662	8.3
341.08704	44.7
342.09088	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.46541	0.4
53.75168	0.5
59.01262	4.7
66.23932	0.5
69.72380	3.6
71.01245	3.1
73.02788	0.5
85.02836	0.9
89.02317	3.9
89.35236	0.7
91.05416	1.4
95.99523	0.5
96.95889	2.0
98.95472	1.7
101.02354	1.6
107.04892	1.7
113.02331	1.5
119.03367	1.3
134.03624	3.3
135.04408	100.0
136.04733	3.4
137.02357	2.0
138.05489	0.5
155.52086	0.6
178.06242	0.9
179.03415	78.8
180.03769	2.9
209.60918	0.5
229.60944	0.5
341.08670	2.2
341.11520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65063	0.2
71.38126	0.4
73.69276	0.2
79.95604	5.2
82.33846	0.2
87.00747	13.1
96.95885	100.0
97.58337	0.2
97.95818	0.4
104.85260	0.2
105.01036	0.1
114.52233	0.2
115.49418	0.2
122.62592	0.2
167.68660	0.2
171.07967	0.2
172.05252	0.2
173.09631	4.7
174.09985	0.4
199.11232	1.2
243.10168	0.9
261.11273	1.3
341.06943	4.4
342.07343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57195	0.3
57.03316	0.7
59.01249	3.1
69.47347	0.9
69.47772	1.2
71.01239	1.3
79.95598	1.5
80.42110	0.3
85.02812	1.7
87.00759	0.5
89.02307	2.1
90.67680	0.3
96.95885	100.0
101.02318	0.9
113.02320	0.6
119.03400	0.9
120.05701	0.8
121.02837	0.6
124.75218	0.3
135.04422	0.9
135.08047	8.9
136.19864	0.3
137.02371	0.3
141.38412	0.3
146.04340	0.2
149.16528	0.3
179.03394	0.8
179.05476	0.7
179.07059	2.0
292.47699	0.3
315.25217	0.4
341.06973	43.0
342.07330	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	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
59.01249	7.2
64.96297	0.2
67.89907	0.2
71.01250	6.1
71.04915	0.2
71.58227	0.3
72.99186	0.5
79.95604	5.7
81.03318	0.4
83.04887	0.3
85.02824	0.8
87.00748	12.3
88.01070	0.3
89.02316	7.0
93.03318	0.4
95.01246	0.3
95.04881	0.3
96.95886	100.0
97.95837	0.5
98.95466	3.0
98.96289	0.5
101.02338	2.2
111.04361	1.2
113.02327	2.2
119.03386	2.5
125.92404	0.2
126.56863	0.2
127.04984	0.3
128.03409	0.6
131.03365	0.5
135.04395	0.5
137.02383	0.3
143.03409	0.7
149.04446	0.4
151.07535	0.6
161.04457	0.8
171.10162	1.0
173.09615	5.0
174.09985	0.4
179.03445	0.4
179.05527	2.6
199.11176	0.7
201.11217	0.3
209.11815	0.2
212.16536	0.8
243.10295	0.8
258.97372	0.2
261.11313	1.5
281.04840	0.4
323.19504	0.8
341.06958	7.4
341.10919	3.0
341.20541	2.1
342.07300	0.3
342.52911	0.2
354.30942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31116	0.3
57.03323	0.5
58.00460	1.0
59.01250	22.8
59.03389	0.4
66.55984	0.3
71.01248	15.2
71.58400	0.5
72.01595	0.3
72.99171	1.3
73.02816	3.7
75.00739	0.4
79.02851	0.3
79.95602	4.3
83.01250	1.6
83.04902	0.4
85.02826	2.5
87.00739	6.9
87.01263	0.4
89.02312	14.6
95.01266	0.8
96.95886	100.0
97.02892	0.4
98.95465	5.5
98.96291	1.2
99.00764	0.6
101.02319	9.2
101.51395	0.4
113.02320	6.0
118.97993	0.4
119.03381	5.7
119.04891	1.5
131.03397	1.4
135.04407	2.0
137.05994	0.5
143.03409	1.5
147.62730	0.3
149.04504	0.5
158.89838	0.3
161.04482	2.1
173.09630	2.8
179.03467	1.5
179.05519	6.1
187.07640	0.4
243.10292	0.4
261.11255	1.0
277.27512	0.3
341.06906	3.3
341.10910	5.4
341.15103	0.6
341.19693	1.3
342.11337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
70.63354	0.6
71.58202	0.9
83.49487	0.5
96.95879	8.4
104.40397	0.5
106.90289	0.6
111.93884	0.5
169.65529	0.6
183.01157	1.2
197.02779	0.6
197.09653	1.0
279.23239	6.3
297.24326	38.4
298.24725	4.4
339.05179	0.7
339.20245	3.8
339.25391	10.6
340.25894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59815	1.4
57.03304	1.9
58.00457	2.3
59.01248	100.0
59.70895	1.3
69.03297	2.1
69.47604	12.3
70.85239	1.4
71.01250	46.8
72.32381	1.4
72.99178	4.4
75.00732	1.9
83.01254	4.7
83.04923	2.1
85.02818	5.9
87.00741	10.8
87.92436	1.9
89.02313	49.8
89.30556	1.4
95.01271	2.2
96.95263	2.6
96.95874	19.3
97.06450	2.4
98.95478	2.4
99.00736	3.3
101.02316	22.0
103.91919	4.5
112.98692	2.5
113.02333	18.4
115.00235	6.1
119.03390	19.1
119.26696	1.4
127.00224	2.9
127.07526	4.0
131.03389	1.8
133.02879	2.0
135.04416	6.0
137.09628	2.0
143.03395	5.1
145.01314	18.1
149.04485	2.5
161.02344	2.2
161.04463	6.5
163.11171	1.7
179.03389	5.9
179.05533	19.0
179.06993	2.3
181.12257	42.7
183.13850	2.0
194.83751	1.5
209.11766	2.3
213.14871	4.8
219.17253	1.7
225.10733	1.6
225.14923	2.8
253.08961	8.0
255.06879	4.0
263.16455	4.5
269.09686	10.6
297.07919	71.7
298.08224	4.3
305.17368	2.1
315.11133	1.6
341.07016	90.9
341.10797	18.9
341.15802	3.8
341.19696	10.0
341.23242	5.8
342.07111	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	339.2537
Annotation	Subamolide A
Peak:m/z	Relative Intensity
57.03054	1.0
57.03306	5.3
59.01247	5.3
65.03816	0.7
67.76304	0.7
69.03331	1.3
71.58380	1.2
73.02805	0.7
79.95614	1.1
80.96396	1.1
81.03294	0.7
81.06973	9.0
83.04897	2.4
84.49769	0.6
85.02834	1.1
85.66405	0.6
95.04924	0.8
96.95267	1.5
96.95883	24.7
97.17029	0.6
98.95453	1.1
101.02311	0.8
102.49769	0.7
119.03362	0.7
125.05959	1.2
140.04564	0.7
143.98497	0.7
144.26242	0.7
163.00241	0.8
173.09651	0.8
190.99771	3.3
195.17467	41.8
196.17804	3.0
197.09668	3.3
214.15495	0.8
215.10568	0.8
237.05498	2.7
239.16489	15.6
240.16701	0.8
259.09610	0.8
269.53900	0.7
281.04541	8.7
282.04947	1.6
295.06488	0.8
309.04028	6.1
310.04312	1.0
321.17029	1.1
324.06390	11.2
325.06650	1.7
339.05237	2.2
339.08765	7.4
339.25375	100.0
340.09045	1.2
340.25732	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	339.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
69.70221	0.5
69.70634	1.6
78.34894	0.2
79.95638	1.2
96.95887	1.9
98.20480	0.7
98.95485	0.9
101.02361	0.3
119.04886	1.3
119.64250	0.2
121.27218	0.3
131.64920	0.3
141.44948	0.3
160.62550	0.3
163.11156	0.4
170.00352	1.2
183.01138	50.0
184.01790	3.7
197.02721	1.7
198.03470	0.9
211.04201	0.4
216.00929	2.3
225.05763	0.5
230.02408	0.3
239.07529	0.7
254.32280	0.3
275.23956	0.4
306.67120	0.3
339.19980	100.0
340.20306	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.34475	0.1
58.68099	0.1
65.12256	0.1
70.60963	0.5
72.60232	0.1
78.36027	0.1
120.48448	0.1
147.08099	0.3
163.11194	100.0
164.11526	4.3
165.78049	0.1
177.84061	0.1
183.01138	1.8
184.01901	0.2
197.02525	0.1
216.00969	0.1
263.66333	0.1
339.19995	2.8
339.23288	45.8
340.20313	0.3
340.23624	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
52.65726	0.2
55.65851	0.2
59.01241	0.5
65.07796	0.2
70.61250	0.7
79.95573	1.4
91.99226	0.2
96.95886	1.6
98.95457	0.9
119.04917	1.8
137.99638	0.2
163.11137	0.4
170.00357	2.2
183.01125	70.4
184.01619	3.1
197.02675	2.9
198.03351	0.7
201.99368	0.5
211.04236	0.4
216.00960	1.1
225.05801	1.2
230.02492	0.3
239.07370	1.6
253.08977	0.4
271.17935	0.2
339.19949	100.0
340.20273	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	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57211	1.8
57.03320	5.8
59.01253	19.5
64.39376	2.1
67.01742	3.0
69.03325	5.4
69.20774	1.9
69.34714	9.3
69.35142	8.4
71.01228	4.8
71.04893	9.5
73.02814	2.5
79.95600	2.7
80.96382	2.0
81.03325	30.7
81.69901	1.8
83.04890	18.1
85.02811	7.0
87.00722	2.5
92.58186	1.8
92.91878	3.8
93.03362	3.4
95.01272	3.7
95.04893	9.9
95.48750	1.8
96.95886	100.0
97.02820	8.0
97.06490	5.8
98.03618	2.4
98.20574	3.6
98.95457	2.2
99.04386	56.0
106.04090	2.7
107.04927	3.4
108.02041	8.4
109.02840	5.9
109.06476	8.5
111.04399	8.3
119.04874	2.4
121.02835	15.4
121.06476	4.5
122.03646	14.1
122.89310	7.0
123.04379	5.4
123.08055	3.2
125.05962	2.5
125.09601	8.8
125.87196	9.4
126.88020	14.3
127.03806	2.3
127.86919	7.3
133.02797	2.0
133.06549	2.5
134.03613	2.8
135.04393	7.9
137.05988	12.8
139.11163	3.3
140.62198	2.1
141.88531	2.3
149.05978	18.8
151.07594	3.3
153.09106	2.4
154.89459	2.1
157.86229	11.5
158.57616	2.0
159.85912	13.4
163.03862	4.5
165.09073	2.1
165.12741	1.9
167.07024	8.7
171.08003	2.9
171.10168	38.2
172.10591	1.9
177.12746	5.5
178.06215	12.8
181.12218	2.8
185.11688	4.4
187.09665	2.9
191.10785	2.7
191.14334	6.1
193.12263	14.6
195.13837	4.4
197.09673	11.7
198.88246	2.2
199.09695	6.6
199.13329	8.4
203.10689	2.4
205.12175	3.2
209.11858	4.2
211.13322	4.9
211.83711	1.9
213.11122	3.1
215.10721	5.4
221.11769	3.6
235.13326	38.0
241.08553	2.7
247.13252	2.4
249.11224	9.1
250.12027	9.3
252.66075	2.3
253.14417	56.7
254.14696	3.9
259.05579	4.3
259.09570	4.4
263.12946	2.6
265.14426	6.9
273.03455	31.2
274.03787	3.0
285.14911	5.8
303.04544	88.3
303.16068	22.4
304.04886	12.4
304.16425	2.4
321.17029	36.0
339.01633	3.3
339.05240	6.0
339.14630	3.0
339.18140	5.5
340.01306	10.2
340.05371	2.2
341.98792	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33033	1.4
59.01249	100.0
70.72005	3.2
70.72364	3.0
71.01254	2.6
73.02824	1.8
85.02818	2.3
96.95882	25.7
98.95462	4.5
98.96138	1.4
101.02325	3.3
114.05530	1.6
135.04422	1.4
140.22417	1.8
161.04530	2.4
171.08047	1.7
197.09595	4.5
215.10631	1.9
279.14493	1.7
339.05161	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	339.0872
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
59.01244	18.7
59.08751	3.1
61.71596	3.1
67.65492	3.8
71.57137	4.1
79.95608	3.7
80.05819	3.0
80.96388	6.3
84.96428	3.5
85.02830	3.3
96.95887	100.0
96.96501	6.2
98.95470	5.4
101.02335	4.2
104.07690	3.0
121.02835	49.5
129.64685	3.9
134.15114	2.9
139.51459	3.2
140.03625	2.9
145.67236	3.1
147.04413	65.2
171.07999	3.4
180.88078	3.4
183.01170	21.7
184.53958	3.2
193.10181	33.1
197.09639	21.9
207.11668	4.6
221.09698	3.9
223.07600	4.8
251.07095	13.6
251.10629	17.7
256.79428	3.2
259.09613	10.8
269.89200	3.3
288.21085	3.3
295.06418	7.3
295.09726	59.6
296.10025	6.7
331.94586	3.4
339.05319	8.0
339.08801	68.3
339.16257	24.4
339.20630	4.8
340.08969	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	339.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63628	0.1
59.01236	0.2
61.29473	0.1
63.42911	0.1
71.38177	0.3
79.95603	1.8
80.96383	0.1
82.95985	0.2
96.95887	100.0
97.95815	0.3
98.95466	2.2
98.96288	0.5
103.33073	0.1
123.46176	0.1
150.49736	0.1
171.08017	0.3
197.09682	0.2
235.90247	0.1
257.08282	0.2
259.09726	0.1
269.65500	0.2
339.05493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01254	0.2
65.35749	0.2
71.12631	0.4
89.03825	1.2
96.95879	0.7
105.03347	2.0
106.76136	0.2
111.76311	0.2
133.02844	5.1
149.02357	0.6
170.76013	0.2
177.01837	100.0
178.02196	3.7
204.38298	0.2
241.29898	0.2
288.26364	0.2
339.07104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18152	0.6
59.01245	2.3
71.20834	1.4
78.84189	0.5
82.35061	0.6
89.03829	1.8
96.95879	2.0
104.95144	0.7
105.03342	2.9
126.44047	0.7
133.02850	7.0
149.02281	0.9
176.01051	0.8
177.01843	100.0
178.02235	4.4
246.93346	0.7
339.07068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60439	0.2
53.14780	0.3
54.65690	0.2
70.07934	1.1
79.95618	2.2
96.95891	100.0
97.95757	0.3
98.95446	0.3
164.00400	0.2
197.09627	0.6
215.10750	0.4
327.41400	0.3
339.05487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0543
Annotation	15-Deoxylactucin-8-sulfate
Peak:m/z	Relative Intensity
58.85071	0.4
59.01255	0.8
60.57189	0.4
70.92068	0.8
70.92404	0.5
73.11134	0.4
79.95621	1.5
87.00762	0.4
96.95892	100.0
98.95484	1.4
109.02839	0.6
111.91005	0.4
115.18153	0.4
135.04428	0.8
146.01941	0.4
153.59081	0.4
159.04419	0.5
165.26701	0.4
171.08073	0.6
193.47119	0.3
197.09644	2.0
215.10722	1.0
221.06026	0.4
229.01363	1.7
259.09827	0.5
267.06647	1.1
293.04456	0.6
295.06189	1.2
339.05249	4.2
340.05652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0541
Annotation	15-Deoxylactucin-8-sulfate
Peak:m/z	Relative Intensity
51.28871	0.2
71.38402	0.3
79.95609	2.6
96.95887	100.0
111.05959	0.2
159.97476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0542
Annotation	15-Deoxylactucin-8-sulfate
Peak:m/z	Relative Intensity
56.75241	0.3
59.01248	1.6
64.21181	0.3
64.41183	0.4
66.52051	0.4
68.73835	0.3
71.06828	1.0
79.95604	3.8
80.96411	0.9
87.00746	21.6
95.95079	0.7
96.95885	100.0
97.95838	0.4
98.95457	2.0
98.96297	0.5
131.52187	0.4
147.08087	0.4
171.08051	0.8
173.05957	0.6
179.00159	0.3
197.09622	2.9
198.06905	0.5
215.10637	1.0
259.09497	0.5
259.11926	0.5
295.06360	0.5
339.05359	42.5
340.05719	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71696	0.3
55.91537	0.3
59.01231	0.7
66.19477	0.3
69.25943	3.0
71.01221	0.3
79.95612	1.7
81.02103	0.3
96.95884	100.0
97.95810	0.4
98.95459	0.7
134.23312	0.3
171.07990	0.4
181.04697	0.3
197.09619	1.5
215.10707	0.5
228.12881	0.3
241.08653	0.3
259.09863	0.6
262.77377	0.3
264.48093	0.3
307.08450	0.4
334.08008	0.3
339.05478	1.9
339.17990	0.3
340.05435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2053
Annotation	Idebenone
Peak:m/z	Relative Intensity
52.64003	0.3
55.79268	0.3
59.01258	0.9
64.96889	0.3
69.74697	0.3
70.89944	0.7
79.95605	10.1
80.96381	1.1
94.97994	0.9
95.95109	2.5
96.95889	95.0
97.95854	0.4
98.20039	0.4
122.97475	3.1
138.96997	0.4
163.01868	0.3
197.42479	0.3
199.39734	0.3
211.20586	0.4
255.23224	0.8
267.63480	0.3
337.20541	100.0
338.20862	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	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
59.01247	100.0
59.18604	1.5
60.01593	1.9
65.07813	1.9
71.01246	9.9
71.57690	2.8
74.94865	1.6
80.96384	5.1
85.02840	4.5
89.02313	4.2
95.01213	1.8
96.95884	84.6
101.02325	8.2
103.00250	7.7
113.02315	4.8
119.03422	2.4
132.05278	1.8
157.08664	2.6
161.04454	3.3
171.08057	9.5
185.09555	2.6
195.08093	1.6
198.06775	4.8
207.79399	1.7
213.09053	3.2
257.08221	4.7
277.12888	3.1
283.48633	1.6
296.56430	1.6
309.13379	6.6
329.58365	2.1
337.03806	7.0
337.12521	10.8
338.04764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30462	0.2
57.90206	0.2
59.01249	100.0
60.01583	0.8
69.63478	1.4
71.01251	0.3
73.02836	0.3
80.96391	0.5
85.02820	0.3
96.95895	5.8
103.28899	0.3
162.69995	0.3
171.08131	0.4
177.12802	0.5
183.13901	1.2
195.13829	33.2
196.14195	1.9
202.10260	0.3
213.14894	9.2
214.15060	0.4
223.13116	0.6
235.13112	1.8
255.15993	6.9
256.16318	0.8
257.08176	0.5
267.12003	0.3
279.12201	1.3
322.75946	0.3
336.51215	0.3
337.03876	0.5
337.16354	9.8
337.20047	0.5
338.16714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.8
60.01585	0.5
60.99169	0.9
61.20860	0.4
67.01753	1.7
69.03340	0.8
69.70860	1.9
69.71268	0.7
71.01245	2.1
71.04889	0.7
73.02820	0.7
79.95584	1.9
80.96387	5.7
81.03326	0.5
83.04898	0.7
85.02831	4.0
87.00745	4.0
89.02337	1.1
93.03328	14.0
94.03657	0.5
95.95100	0.9
96.95884	100.0
98.19466	0.3
101.02318	0.4
109.02805	0.5
111.04395	2.2
113.02320	0.9
119.04899	5.4
123.71283	0.4
127.03860	0.8
129.01807	0.7
131.65973	0.4
145.02785	0.9
155.03395	0.6
157.06557	0.4
163.03900	5.5
164.94849	0.4
170.07315	1.6
171.08070	9.0
172.08357	0.7
173.04462	4.9
185.09642	1.7
191.05528	66.1
192.05904	3.1
195.08107	0.9
198.06805	4.3
213.09145	1.7
251.07671	0.4
256.09351	0.4
257.08130	5.1
258.08527	0.7
270.03830	0.4
321.62036	0.4
337.03903	11.6
337.09225	2.1
337.15015	2.6
338.04178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.82524	0.2
59.01244	1.1
67.01757	0.9
69.03320	0.3
69.55617	1.2
71.01262	1.0
73.02826	0.3
80.96387	0.6
81.03336	0.3
83.04884	0.5
85.02816	8.0
87.00739	2.3
93.03335	5.5
96.95882	7.3
99.04382	0.5
100.02164	0.2
109.02830	0.7
111.04386	1.7
119.04903	2.1
127.03887	2.1
127.84901	0.2
129.01817	0.3
137.02336	0.3
145.02824	0.7
163.03912	2.0
168.43602	0.2
171.02911	0.4
171.08055	0.7
173.04443	2.3
191.05530	100.0
192.05840	3.0
196.06042	0.2
198.06749	0.3
216.67509	0.2
257.08102	0.6
337.03821	0.8
337.09387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04825	0.5
59.01248	100.0
60.01587	0.8
69.57961	3.9
72.99193	0.6
79.95604	0.8
80.66045	0.5
80.96402	1.4
91.99476	0.8
96.95886	28.4
98.20509	1.2
137.15840	0.6
161.53038	0.6
171.08087	2.4
198.06841	1.1
257.08316	1.4
337.03790	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.1
60.52928	0.4
60.99170	1.5
67.01761	3.6
69.03322	1.3
69.54904	0.7
69.55304	2.2
71.01262	1.8
73.02822	0.8
79.95612	2.2
80.96392	6.1
81.03333	1.1
82.03262	0.4
83.04911	0.8
85.02827	6.4
87.00748	6.2
89.02329	1.2
93.03338	25.1
94.03628	0.7
95.95113	0.9
96.95891	100.0
97.95867	0.4
98.19750	0.4
99.04376	0.6
101.02310	0.7
103.12047	0.4
109.02814	0.8
111.04406	3.9
119.04922	9.0
127.03896	1.4
129.01804	0.8
145.02832	1.4
155.03473	0.9
157.99963	0.4
163.03914	9.0
163.05188	0.7
170.07240	1.8
171.08076	11.6
172.08414	0.8
173.04475	7.1
185.09662	1.5
191.05540	99.8
192.05881	3.9
195.08107	0.6
198.06816	5.6
199.07352	0.5
213.09158	2.3
229.08652	0.6
242.05740	0.5
257.08163	5.5
276.71194	0.4
286.80582	0.4
302.82736	0.4
309.67776	0.4
337.03845	10.6
337.09436	1.9
337.14963	0.9
338.04169	0.7
348.85687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54258	0.2
59.01248	0.9
67.38484	0.1
69.57636	1.2
71.01241	0.7
79.95602	1.4
80.96389	5.7
85.02804	0.2
89.02312	0.6
95.95120	0.5
96.62471	0.2
96.95885	100.0
97.95795	0.2
98.19779	0.2
101.02317	0.4
113.02317	0.3
119.03385	0.3
122.21346	0.1
157.06512	0.4
170.07239	1.7
171.08060	12.6
172.08385	0.6
185.09636	1.9
195.08084	1.2
197.06033	0.2
198.06781	5.9
199.07153	0.3
201.44925	0.2
202.06326	0.2
213.09148	2.4
214.06056	0.2
229.08569	0.5
237.56740	0.2
242.05733	0.4
257.08154	6.1
258.08539	0.3
310.09537	0.2
337.03854	11.0
337.15009	0.7
338.04071	0.8
352.20114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70095	0.2
65.51999	0.3
66.60460	0.2
71.06082	0.4
71.06469	0.5
79.95605	1.3
80.96382	5.5
85.70239	0.2
92.53567	0.3
95.95106	0.6
96.95883	100.0
100.94555	0.2
129.85716	0.2
130.68542	0.2
170.07295	1.6
171.08060	11.8
172.08397	0.6
184.08826	0.4
185.09615	1.4
190.80281	0.3
195.08070	0.8
197.06006	0.4
198.06775	5.3
199.07056	0.3
213.09114	2.0
213.56020	0.3
229.08540	0.5
242.05962	0.3
257.08151	5.6
258.08380	0.3
337.03854	13.5
338.04150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57518	0.1
58.99484	0.2
59.01244	0.9
65.44796	0.1
69.46478	0.4
69.46917	0.6
71.01264	0.2
71.24297	0.1
79.95605	1.8
80.96390	6.5
85.02846	0.1
95.95121	0.5
96.95889	100.0
97.95854	0.2
150.20682	0.1
157.06493	0.5
170.07291	1.8
171.08078	10.6
172.08449	0.6
183.08150	0.3
184.08839	0.2
185.06020	0.2
185.09651	1.9
195.08081	1.1
196.08434	0.1
197.05972	0.3
198.06795	5.2
199.07266	0.3
202.06383	0.3
211.07707	0.2
213.09155	1.9
214.06323	0.3
214.09521	0.1
229.08661	0.4
242.05783	0.4
257.08176	5.7
258.08612	0.5
337.03870	13.0
338.04141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
68.11927	0.1
71.58669	0.3
71.94796	0.1
72.66183	0.2
74.98959	0.8
79.95599	0.3
80.96365	0.4
95.19389	0.2
96.95885	9.6
101.02299	0.2
113.66951	0.1
145.06441	0.3
147.04405	0.5
148.04497	0.1
157.06499	0.9
169.06471	0.6
171.04407	0.3
171.08067	0.8
185.06024	1.2
187.03973	0.2
189.05511	1.0
195.08005	0.2
198.03174	0.3
198.06711	0.4
212.04799	1.1
213.05498	6.0
214.02792	0.2
214.05922	0.3
215.03439	3.8
216.03781	0.2
229.04958	0.3
242.02180	0.6
251.07254	0.2
257.04520	100.0
258.04852	7.2
261.11337	0.3
279.06622	1.1
280.07114	0.2
281.95395	0.2
291.06668	0.5
306.08810	0.4
307.06155	1.2
307.09488	0.2
321.07797	0.3
322.08447	0.7
337.00223	11.8
337.03851	1.2
337.10837	0.9
337.16394	0.2
337.20132	0.3
338.00616	0.8
338.04089	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2225
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
59.01235	0.4
69.33337	0.8
71.01243	0.1
76.85354	0.1
83.27630	0.1
85.02823	0.1
96.95891	0.3
102.72881	0.1
133.93961	0.1
179.29843	0.1
206.63438	0.1
335.22238	100.0
336.22583	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55210	0.7
57.67687	0.7
59.01247	100.0
60.01580	1.1
60.40223	0.6
67.01736	0.8
68.01289	3.6
69.81361	0.9
69.81775	3.0
71.01244	9.2
73.02826	3.3
79.95612	3.0
80.96392	5.4
81.03347	0.7
83.01270	0.9
85.02820	5.4
89.02305	0.7
93.84542	0.6
95.01261	0.7
95.95086	0.7
96.95882	79.6
97.02851	1.3
98.95419	0.7
99.00764	1.5
101.02306	6.0
110.02369	1.7
113.02305	3.9
119.04878	1.0
125.02245	0.6
131.03668	1.7
133.06441	0.9
135.04427	2.1
143.03412	0.7
144.04477	0.8
145.04962	0.9
147.04417	16.2
148.04778	1.0
159.02937	1.2
161.04445	8.1
161.05853	1.0
170.07283	1.1
171.08078	8.8
185.09705	1.9
189.05528	1.0
191.05486	0.8
195.08148	0.8
198.06801	6.0
203.05551	1.0
213.09189	2.5
229.08598	0.7
236.76048	0.7
237.01439	0.6
253.20302	0.6
257.08151	3.9
336.17596	3.3
337.03824	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03325	0.8
57.54717	0.3
57.83898	0.3
58.00472	0.6
59.01249	17.7
60.91170	0.3
68.99616	0.3
71.01251	11.7
71.58219	0.5
72.99178	1.0
73.02818	3.1
73.67104	0.3
75.00736	0.4
79.25134	0.3
79.95599	0.5
83.01257	3.0
84.67054	0.3
85.02814	5.4
85.99973	0.5
87.00747	1.5
89.02296	1.3
91.92419	0.3
95.01258	1.1
96.95879	2.6
97.02827	0.5
99.00755	1.3
101.02313	6.8
111.00790	1.0
112.01513	0.4
113.02310	2.8
118.11429	0.3
125.02325	0.7
127.11174	1.8
135.04396	0.4
147.04411	2.0
155.10666	1.1
161.02359	0.4
161.04478	1.2
173.11739	35.1
174.12115	1.7
178.65291	0.3
187.13264	0.6
195.10968	0.4
215.12733	0.4
298.77866	0.4
304.46512	0.4
317.16058	2.9
335.17084	100.0
336.17422	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	335.1712
Annotation	Arphamenin B
Peak:m/z	Relative Intensity
55.01762	1.1
57.03325	0.8
57.54717	0.3
57.83898	0.3
58.00472	0.6
59.01249	17.7
60.91170	0.3
68.99616	0.3
71.01251	11.7
71.58219	0.5
72.99178	1.0
73.02818	3.1
73.67104	0.3
75.00736	0.4
79.25134	0.3
79.95599	0.5
83.01257	3.0
84.67054	0.3
85.02814	5.4
85.99973	0.5
87.00747	1.5
89.02296	1.3
91.92419	0.3
95.01258	1.1
96.95879	2.6
97.02827	0.5
99.00755	1.3
101.02313	6.8
111.00790	1.0
112.01513	0.4
113.02310	2.8
118.11429	0.3
125.02325	0.7
127.11174	1.8
135.04396	0.4
147.04411	2.0
155.10666	1.1
161.02359	0.4
161.04478	1.2
173.11739	35.1
174.12115	1.7
178.65291	0.3
187.13264	0.6
195.10968	0.4
215.12733	0.4
298.77866	0.4
304.46512	0.4
317.16058	2.9
335.17084	100.0
336.17422	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49532	0.7
52.58056	0.7
59.01251	100.0
61.38235	0.7
71.01269	1.1
73.02818	1.9
83.01276	0.8
85.02866	0.9
89.02296	0.7
96.95911	1.0
101.02328	4.2
103.00262	7.6
107.81158	0.6
108.61926	0.7
113.02354	1.5
113.05972	9.8
119.22517	0.7
121.06496	2.0
135.04459	1.1
135.08044	3.7
136.08325	0.7
145.01334	3.2
147.08098	2.7
158.36073	0.9
161.06085	0.7
161.09642	6.0
163.07500	1.0
171.08073	11.7
173.05981	5.3
173.09711	0.7
179.74467	0.8
185.09709	2.4
187.07587	2.3
188.04640	0.9
188.07031	0.9
189.09137	4.8
195.08125	2.9
198.06888	1.1
201.09259	0.7
213.09158	23.0
214.09572	0.9
229.08560	0.8
231.10243	12.0
232.10593	1.2
275.09238	2.0
293.10489	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	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07285	1.3
55.01760	8.1
57.03331	5.1
58.00465	2.4
59.01251	35.7
59.01531	2.6
63.05577	1.4
69.03329	2.2
71.01254	58.2
71.57343	2.2
71.57735	1.5
72.99209	4.3
73.02815	20.9
74.02351	1.7
75.00739	1.5
78.95767	8.7
79.95650	1.9
82.38272	1.6
82.47880	1.4
83.01258	19.5
85.02826	32.4
86.00001	4.1
87.00766	2.5
89.02353	3.8
95.01296	4.5
95.95153	1.5
96.95889	6.7
97.02843	2.5
97.94689	1.7
98.95459	1.5
99.00769	10.4
101.02322	58.4
101.51043	1.4
102.02616	1.6
111.00805	2.2
113.02331	21.2
127.71057	1.3
129.01830	2.3
132.76256	1.5
137.65454	1.3
143.03473	1.6
151.00645	1.8
152.99506	4.3
159.02914	3.0
161.04482	10.6
241.01283	2.7
241.39795	1.4
266.19211	1.4
289.12018	5.3
289.16644	7.7
333.06177	5.9
333.15665	100.0
334.15915	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03316	1.0
58.00475	0.7
59.01248	16.8
67.04080	0.5
69.75958	3.1
71.01252	16.6
72.01570	0.6
72.99187	1.5
73.02814	4.3
78.95773	2.5
82.17858	0.5
83.01267	4.3
85.02818	6.9
87.00731	1.4
89.02315	3.3
95.01282	1.4
96.95882	2.5
99.00739	1.7
101.02319	9.6
111.00748	0.9
113.02338	4.3
119.03410	1.9
152.99486	2.0
153.09097	1.6
161.04478	0.6
171.10172	15.2
172.10443	0.9
196.29118	0.5
227.73409	0.5
241.01251	1.4
293.03546	0.6
315.14484	2.0
333.06149	2.4
333.15558	100.0
334.15842	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	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43404	0.4
53.62756	0.5
58.99475	12.9
59.01255	3.4
60.74916	0.4
64.39527	0.4
71.01247	0.7
74.98973	2.7
78.90387	0.5
78.95765	1.4
87.00774	0.7
96.95873	1.1
102.98471	100.0
103.98819	0.9
113.02377	0.5
120.99548	7.4
139.11174	2.4
149.00800	0.6
152.34189	0.5
152.99501	1.4
163.00594	3.6
187.07556	0.7
229.38618	0.8
231.04498	0.6
250.49210	0.5
298.78528	0.5
333.05890	2.1
333.13785	0.6
343.66107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99472	13.7
59.01245	5.6
63.26564	0.6
69.40630	5.9
71.01229	0.9
72.99176	0.7
74.98972	1.5
75.91537	0.7
78.95773	2.5
87.00757	0.8
94.35159	0.6
96.95918	3.5
98.20496	1.2
102.98473	100.0
120.99539	7.3
133.45685	0.7
139.11174	1.4
139.95300	0.7
149.00897	0.9
152.99475	1.6
163.00635	3.8
176.14236	0.7
196.82358	0.7
201.02521	1.6
231.10101	0.8
241.01262	1.0
274.18839	0.8
291.00558	0.7
304.16464	0.7
324.82111	0.8
333.06009	2.9
333.13599	1.1
333.17130	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	333.1344
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
58.00462	7.8
59.01258	21.1
64.96178	3.6
69.03331	7.1
71.01252	65.0
72.99173	6.5
73.02807	16.9
75.00748	100.0
78.95773	8.3
79.05424	3.3
81.03304	4.2
83.04892	15.7
85.02818	6.4
87.00725	9.1
93.03349	4.0
95.04892	10.7
96.95871	7.2
97.02808	5.2
97.06465	10.3
99.04366	4.6
107.04901	11.7
108.02009	3.9
109.02821	6.2
109.06499	5.3
111.04411	31.8
113.02347	4.0
113.05883	4.8
121.02818	11.9
121.06479	12.0
122.03587	5.5
123.04415	19.1
124.01551	8.7
125.02312	4.0
125.05956	15.7
131.08574	3.9
133.06488	4.3
135.04300	3.5
135.08043	6.1
138.03104	4.7
139.03938	23.2
147.08040	5.3
149.05998	6.7
150.03090	3.6
151.07535	8.4
152.99454	6.6
157.10109	3.9
161.05910	5.1
163.07558	21.0
165.09045	5.9
171.11739	6.3
173.13229	9.0
177.09056	4.4
187.11238	4.4
188.08313	3.4
191.07086	3.6
201.09164	4.2
201.12674	5.0
213.09024	4.3
213.12779	4.2
217.12276	22.7
220.27884	3.6
223.11368	3.8
227.14331	16.5
229.12314	8.2
231.13794	9.8
233.11813	5.3
241.12326	10.9
243.13853	9.3
244.52728	3.4
245.15446	11.4
253.12280	3.8
257.11636	4.4
259.13394	29.4
261.11130	7.5
271.13428	15.7
275.12961	4.2
285.11353	31.9
289.14426	29.4
290.14221	4.1
303.12393	39.3
315.12354	5.1
333.05850	5.1
333.13425	69.0
334.13150	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	333.1342
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
57.03311	4.6
58.00465	5.8
59.01253	11.7
69.03333	5.9
69.38847	22.2
71.01252	55.1
71.01609	4.6
72.99171	5.5
73.02811	20.1
74.42951	2.2
75.00745	100.0
78.95760	3.5
79.05417	6.6
81.03327	2.8
83.04881	16.5
85.02825	6.4
87.00761	4.1
92.13955	2.5
93.03326	2.5
95.04891	4.6
96.95882	4.2
97.02842	5.4
97.06467	9.8
102.92060	2.2
107.04920	10.4
109.02819	3.7
109.06458	3.7
111.04388	33.3
113.02303	3.7
113.05938	5.7
116.01027	2.8
119.04935	3.0
121.02847	8.9
121.06503	6.5
122.03613	5.6
123.04402	24.6
124.01521	3.3
125.02372	4.0
125.05984	20.4
135.08066	4.2
137.02328	4.1
137.05965	7.0
138.03152	2.8
139.03911	10.7
147.08018	4.3
149.06061	3.7
151.07562	13.3
152.99564	3.1
156.83595	2.3
161.05974	4.4
163.07578	18.5
169.05124	2.2
171.11719	5.6
173.13266	10.8
183.11790	2.6
187.11154	3.0
187.14798	4.0
189.09129	3.0
197.13254	4.2
199.11201	5.9
201.12790	4.5
203.10716	5.1
203.14377	3.2
210.99272	2.6
211.11221	5.2
213.12799	7.9
215.10703	5.6
215.14290	5.4
217.12285	20.2
227.10745	3.9
227.14397	17.0
229.12347	4.4
231.13850	10.2
241.12360	8.1
243.10146	3.9
243.13828	3.9
245.15474	15.2
246.79890	2.4
253.12367	3.6
259.13412	27.7
261.11285	4.6
261.15042	3.2
271.13406	23.9
273.11325	5.9
275.12888	8.1
285.11346	19.9
287.12952	5.5
289.14478	33.6
303.12402	31.1
315.12354	7.9
333.13434	73.8
334.13644	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	331.249
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.81597	0.2
57.03305	0.3
58.00466	0.5
59.01240	0.3
65.24140	0.2
71.01263	0.2
71.57679	0.2
71.58038	0.2
96.95907	0.9
115.59205	0.2
125.09606	1.3
127.11185	6.5
128.11479	0.2
137.09610	0.3
139.11137	0.2
141.12773	0.2
143.10666	1.1
153.09070	0.2
155.10678	2.4
155.14287	0.2
156.10959	0.2
157.12248	4.1
160.14220	0.2
165.09102	0.2
171.10196	2.7
185.11754	0.4
187.13329	1.0
191.05634	0.2
201.11258	1.2
255.23186	0.2
277.21750	0.2
285.24255	0.3
295.22906	1.4
311.22336	1.0
313.23843	7.8
314.24207	0.8
327.21695	0.2
329.23325	4.9
329.27234	0.3
330.23578	0.6
331.24884	100.0
332.25247	8.5
332.28345	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0593
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.96269	0.4
70.30064	0.7
78.95777	100.0
80.96384	0.7
96.95857	0.6
96.96844	18.5
106.65191	0.2
150.97916	1.2
152.99495	84.7
153.99815	1.2
171.00555	10.7
171.07381	0.2
175.96461	0.3
222.99988	1.1
227.94368	0.2
238.94177	0.2
240.04364	0.2
241.01167	43.9
242.01527	1.3
259.02231	2.8
274.77609	0.2
333.05917	82.2
334.06241	3.7
357.00381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1912
Annotation	Xeniolide F
Peak:m/z	Relative Intensity
51.69447	0.3
60.41245	0.4
69.48609	2.3
72.01620	0.3
76.02651	0.3
79.53777	0.3
98.20493	0.6
113.40786	0.3
122.55318	0.3
143.86731	0.3
213.02513	0.4
248.88792	0.4
280.50012	0.3
301.18063	37.8
302.18390	3.8
331.19107	100.0
332.19449	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	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04022	0.3
57.60355	0.3
59.01244	2.1
69.61129	2.7
71.01242	0.5
72.99189	0.4
73.02813	0.9
75.00735	0.9
85.33122	0.3
87.00744	1.6
96.95885	2.2
98.42005	0.3
113.23749	0.3
117.01820	1.2
135.02888	2.9
135.04372	0.7
149.00801	0.8
168.21204	0.3
172.05107	0.6
172.15724	0.3
173.05971	0.4
183.13821	13.3
184.14166	0.6
187.07597	1.9
195.12056	0.7
195.13828	13.2
211.13406	0.5
213.14897	100.0
214.15202	5.6
231.10268	0.7
273.91345	0.4
275.09290	0.6
300.11267	0.4
313.36334	0.3
331.12103	0.6
331.17645	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	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73391	0.4
59.01233	0.8
71.01242	0.8
76.75803	0.4
87.00716	0.7
89.02281	0.4
89.84823	0.3
96.95894	0.9
99.00812	0.3
112.98655	0.4
117.01822	0.5
133.02855	0.4
133.67331	0.4
135.02879	0.8
135.04396	0.6
179.03404	0.4
183.13814	15.2
184.14320	0.7
187.07603	1.0
195.12048	0.7
195.13829	13.7
196.14232	0.6
211.13347	0.5
213.14897	100.0
214.15254	5.5
229.08600	0.6
275.09241	0.5
331.17679	4.1
332.17719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00441	6.8
59.01253	91.8
63.02273	11.3
65.00208	19.7
65.48602	4.0
69.03330	5.9
69.10345	4.0
70.42966	15.8
70.79167	4.8
71.01251	44.4
73.02827	20.2
83.01258	16.7
83.01720	4.2
83.49133	4.6
85.02837	16.6
87.00732	7.6
89.02313	42.9
96.95900	28.5
101.02344	21.0
107.01279	21.1
107.04916	11.7
109.02850	5.7
109.06496	14.4
111.08008	6.8
113.02341	17.9
113.05983	20.8
119.03394	19.8
121.02854	9.1
123.04387	6.8
125.02316	8.2
126.73483	5.0
127.07642	4.7
133.02908	5.9
135.04425	5.5
136.01555	14.7
139.07510	12.9
144.73528	4.9
151.00285	63.3
151.03847	25.8
152.00925	4.4
166.99852	5.2
169.01265	12.9
171.04430	6.1
178.99800	34.0
179.05492	7.4
183.04398	5.0
191.05542	9.9
199.03949	14.4
201.01872	6.3
215.03491	6.5
219.58539	5.3
220.72063	5.1
227.03458	14.5
243.02953	22.0
271.02472	85.6
271.15570	24.7
272.02902	17.2
299.01950	49.6
300.02704	67.9
301.03403	15.8
313.16672	7.4
331.04272	26.1
331.11707	6.7
331.17630	100.0
332.04938	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	331.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.2
57.03323	4.9
58.00452	3.1
59.01251	100.0
60.36486	1.4
70.88171	1.6
71.01254	81.2
71.22832	3.0
72.99180	7.0
73.02814	10.2
83.01263	6.5
85.02823	25.4
87.00748	5.3
89.02318	72.2
95.01273	7.3
99.00760	5.8
101.02322	62.4
113.02329	30.9
114.04467	1.5
119.03393	35.4
125.02344	1.8
131.03410	2.2
149.04488	2.3
158.61673	1.8
161.04480	3.6
169.08661	1.7
179.05576	2.7
308.05499	1.9
331.14069	38.9
331.17743	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84280	4.7
59.01250	100.0
71.01256	86.7
71.58446	6.7
80.96372	8.6
83.01227	6.3
85.02818	19.5
87.00734	11.1
89.02320	85.5
90.02682	5.6
93.03349	5.6
95.01251	9.0
96.95882	36.7
99.06582	4.9
101.02319	39.3
104.73060	4.8
106.04048	6.9
107.04905	18.9
108.02059	6.2
113.02302	28.0
119.03413	38.8
143.03392	8.5
146.20441	5.1
151.00012	6.0
151.03918	37.9
152.98613	5.7
179.05562	10.5
236.28918	5.3
263.51477	5.7
317.87360	5.5
331.03796	7.5
331.13901	15.8
331.17453	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	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.9
59.01240	2.0
69.03310	0.5
70.59975	0.9
70.60332	0.3
71.04879	0.4
76.18625	0.3
83.04893	0.5
84.01984	0.3
84.75108	0.3
85.02802	0.7
96.95887	2.1
97.06440	0.6
99.08030	5.4
125.09605	1.5
127.11153	2.6
129.09045	0.4
129.76346	0.3
139.11180	0.8
151.00285	0.4
155.10672	0.7
155.14268	0.8
165.12750	0.5
167.14308	1.8
171.10184	4.0
183.13818	6.7
193.12288	2.3
197.11636	0.3
199.13377	0.4
209.11768	1.2
211.13332	35.1
212.13704	1.6
214.02745	0.3
229.14395	18.1
230.14728	0.7
242.02139	1.5
251.00137	0.4
293.21216	1.1
311.22253	0.9
329.03131	1.6
329.23297	100.0
330.02576	1.3
330.23639	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
53.86951	0.2
56.41851	0.2
57.03326	0.9
59.01256	0.7
62.71708	0.2
69.03320	0.7
69.58562	2.1
71.04890	0.4
83.04906	0.6
85.02842	0.3
89.92614	0.3
96.95873	0.8
97.06466	0.5
99.08028	5.4
99.08624	0.4
109.06471	0.3
125.09641	1.5
127.11186	2.3
129.09134	0.4
139.11221	0.6
155.10724	0.3
155.14297	0.9
165.12695	0.8
167.14337	1.3
171.10176	3.8
183.13840	6.7
184.14194	0.4
193.12279	2.1
199.13353	0.5
209.11673	1.7
211.13345	36.3
212.13710	1.9
227.12866	0.3
229.14409	18.2
230.14769	1.0
293.21225	0.7
311.22272	0.7
329.23325	100.0
330.23657	8.5
344.50220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.07630	0.2
57.03318	1.0
58.00462	1.4
59.01229	0.5
60.06845	0.3
68.37537	0.2
69.03316	0.3
71.07845	0.7
73.02816	0.7
83.04893	0.3
97.06460	0.7
99.08043	1.2
100.96472	0.2
125.05981	0.3
125.09625	4.9
126.09839	0.3
127.11182	8.2
135.85286	0.3
137.09622	1.3
139.11192	1.5
147.08167	0.3
151.99734	0.3
153.09056	0.3
155.10675	3.4
157.12279	0.7
161.02344	1.0
165.09116	2.6
167.68575	0.3
171.10185	8.2
181.34778	0.3
183.10176	1.2
183.13795	1.2
193.12263	0.4
199.09656	2.3
201.11256	41.4
202.11632	1.9
203.03558	0.6
211.11496	0.2
211.13339	6.2
217.12456	0.3
227.03539	0.6
229.14392	3.2
230.14996	0.3
263.20172	0.6
271.02563	1.6
275.20258	0.9
293.21207	3.5
299.01996	2.6
300.02234	0.7
311.22247	3.4
314.04385	2.5
326.64410	0.3
329.06760	2.8
329.23318	100.0
330.07047	0.3
330.23706	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65920	1.0
55.91820	0.9
56.01207	0.8
57.03313	1.2
59.01252	59.9
63.58371	0.9
69.94907	4.8
71.01237	1.3
86.11862	0.9
96.95860	1.8
98.19847	0.9
99.08021	3.9
102.27159	1.0
115.07535	1.6
125.09647	1.3
127.11162	2.9
135.79271	0.9
139.11174	3.9
167.14374	1.1
171.10199	9.6
183.13818	2.5
183.48955	1.0
185.11873	1.6
186.85550	1.2
193.12288	1.2
201.11307	1.2
208.25217	0.9
211.13304	15.4
229.14368	6.7
269.21207	40.0
270.21530	2.7
287.22296	16.5
311.22186	1.4
314.04367	1.2
329.23325	100.0
330.23621	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.41707	0.4
57.03314	0.6
58.00453	1.0
59.01255	2.0
64.98275	0.3
65.14770	0.3
69.19708	0.3
69.28056	1.5
69.28481	2.2
73.02847	0.5
82.25919	0.3
83.99920	0.3
84.02045	0.5
99.08028	0.6
115.79506	0.4
121.10144	0.5
123.08014	0.5
125.09620	4.2
127.11182	8.9
134.16023	0.3
137.09599	1.1
139.11182	6.3
143.10594	0.4
153.09050	0.4
154.37973	0.4
155.10690	4.1
157.12202	0.5
165.09190	2.1
171.10181	39.8
172.10455	1.7
183.10181	1.2
185.11768	1.1
199.09717	1.7
201.11258	27.5
202.11618	1.1
211.13341	0.8
213.11243	1.0
244.45723	0.4
275.20169	1.6
293.21167	2.5
311.22308	2.4
329.23312	100.0
330.19980	0.6
330.23676	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.7
58.00469	1.2
59.01253	2.3
67.46451	0.4
71.06293	1.0
71.06627	0.6
76.18589	0.4
83.04868	0.5
86.97722	0.4
99.08035	7.8
101.09605	0.6
125.09593	1.4
127.07535	1.4
127.11177	2.6
129.09103	7.0
139.11134	0.9
153.12753	0.5
159.53978	0.5
169.12283	2.5
171.10179	1.6
172.95569	0.5
181.12251	3.3
183.13821	1.3
193.12311	1.1
197.11757	2.0
199.11481	1.0
199.13338	20.1
200.13695	0.6
201.11252	6.3
209.11713	0.9
211.13341	9.4
212.13524	0.5
215.12804	1.2
227.12851	1.0
229.14459	2.1
275.20358	0.8
293.21201	3.3
311.22208	3.1
329.23300	100.0
330.23599	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	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21391	0.5
52.08073	0.5
53.60040	0.5
57.03332	1.0
59.07255	0.5
66.60780	0.5
66.62862	0.6
67.58025	0.5
70.55463	2.1
78.33001	0.5
78.97279	0.5
78.97810	0.4
83.04861	0.6
97.06433	0.9
99.08025	6.2
114.47919	0.5
121.87347	0.5
125.09595	1.6
127.11176	2.0
129.09047	0.6
139.11200	2.1
155.14328	1.1
165.12770	0.9
167.14320	2.0
171.10168	5.7
177.84978	0.6
183.13829	7.2
193.12250	2.7
199.13449	0.6
209.11858	1.1
211.13333	33.9
212.13622	1.3
229.14401	16.9
230.14813	0.8
274.11197	0.6
293.21063	0.7
311.22076	0.8
329.23300	100.0
330.23639	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.1
70.29430	2.9
71.01245	0.9
73.02848	0.8
76.23119	0.7
96.95905	1.5
99.08035	1.0
111.08046	4.5
113.09603	4.6
118.16527	0.8
121.02880	1.0
135.11699	2.7
139.07520	1.2
139.11160	0.9
153.12750	16.5
157.08606	97.6
158.08928	3.2
170.88290	2.0
170.91025	1.5
170.97789	1.3
171.10162	2.3
186.85547	1.7
187.09659	5.4
199.09689	1.0
201.52240	0.9
211.13417	1.3
216.60014	0.8
229.14452	0.9
275.20172	1.7
286.86176	0.8
293.21228	2.9
311.22287	11.4
312.22620	1.2
329.23325	100.0
330.23669	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	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56397	0.8
57.03312	2.0
59.01260	7.5
61.98704	1.3
68.14020	0.9
69.26651	3.2
69.27076	4.3
71.01270	0.8
71.04905	1.1
91.43967	0.7
96.95891	1.3
98.20531	1.9
99.08019	7.3
118.57354	0.7
125.09636	1.5
127.07517	0.7
127.11164	8.0
127.26684	0.7
128.11536	0.9
137.09613	1.5
139.11179	26.3
140.11537	1.0
155.10637	1.2
157.12277	3.4
162.31421	0.7
171.10173	51.2
172.10474	1.3
197.11798	0.8
199.12086	0.9
201.11247	1.5
211.13364	3.1
229.14328	2.0
246.17784	0.8
246.34724	0.8
278.77988	0.8
293.21255	1.5
302.56924	0.8
311.22189	1.1
329.23285	100.0
330.23697	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.5
71.01266	0.7
71.38239	0.8
71.38573	1.1
93.03352	0.7
95.14655	0.7
96.95882	1.0
108.17559	0.7
115.56380	0.7
117.07001	2.3
124.77701	0.6
161.06006	4.4
170.88324	0.7
170.91006	1.3
171.10266	1.2
186.85641	1.1
211.13393	1.2
229.14330	1.4
251.14195	0.8
253.15990	1.2
255.17488	16.0
256.17926	1.2
297.15018	0.8
299.16504	100.0
300.16812	7.5
311.16434	2.1
329.17523	49.8
329.23260	6.9
330.17804	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
69.03323	0.6
78.95750	0.8
83.04890	0.9
91.97968	0.6
92.31220	0.6
96.95846	0.8
117.06948	1.9
128.89955	0.9
132.46475	0.7
139.11037	0.6
143.32376	0.6
152.99365	1.6
161.05969	4.0
170.90974	1.7
170.97810	0.9
171.10146	1.8
181.90263	0.6
186.85541	1.2
187.11282	1.0
192.91006	0.7
209.04161	0.7
211.13330	1.4
229.14246	0.7
247.01474	0.6
253.15967	1.6
255.17516	16.9
256.17822	1.0
283.13391	1.1
286.85910	0.8
297.15033	1.5
299.16501	100.0
300.16800	6.4
311.16522	3.5
329.17563	34.2
329.23352	7.1
330.17776	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	329.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
66.90674	0.5
76.00153	0.5
85.42396	0.5
85.47934	0.4
94.91563	0.5
105.35395	0.6
113.14360	0.5
115.28135	0.5
125.24629	0.6
167.41039	0.5
200.02007	0.5
227.14305	1.1
251.14282	1.6
253.15894	2.1
255.17513	8.2
269.15283	0.6
283.13229	0.8
285.18619	2.0
299.16495	100.0
300.16827	8.0
329.17554	73.3
330.17877	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
60.30085	0.2
68.92088	0.3
71.01251	31.4
72.99184	0.4
88.03923	0.4
102.98477	0.6
115.00254	8.6
115.08688	0.3
133.01294	1.0
165.34198	0.3
183.13844	12.7
184.14175	0.5
195.13831	11.1
196.14177	0.5
208.89468	0.2
211.13362	0.4
213.14900	100.0
214.15259	5.1
229.52646	0.3
252.05862	0.3
329.23322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.2
56.17825	2.0
57.28432	1.6
58.00462	1.7
58.66400	1.6
59.01253	100.0
68.30049	1.7
68.44476	1.6
71.01254	44.1
72.99189	2.9
73.02820	9.7
77.63022	1.6
78.21107	1.6
83.01270	5.3
85.02814	15.1
87.00761	1.9
89.02319	12.9
89.37353	1.4
90.54607	1.8
95.01311	2.8
96.95904	5.3
99.00772	3.7
101.02321	30.7
103.00256	5.8
105.07007	2.4
105.44541	1.6
109.02881	3.4
113.02341	16.6
119.03421	5.7
121.02879	3.3
121.06423	1.6
123.04415	2.4
123.08041	18.7
125.02291	2.7
129.78606	1.7
130.08656	10.4
135.04410	1.9
135.08063	3.9
137.02394	2.9
149.02319	2.0
159.02956	2.2
159.04364	1.6
160.05232	2.8
161.04466	13.0
164.04683	1.9
167.03488	1.7
167.07094	4.6
168.86977	1.5
190.95169	2.0
199.18155	4.7
213.09212	2.1
224.93529	1.5
269.10336	2.1
271.06165	2.0
293.10361	6.4
300.19281	2.6
329.07806	2.8
329.13159	10.5
330.20215	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84551	1.0
52.72330	1.1
59.01252	100.0
64.06131	1.1
65.70783	1.2
70.27517	5.3
71.01258	3.6
73.02829	2.0
85.02830	2.3
93.03339	4.4
96.95905	3.6
101.02326	3.7
111.04420	2.7
113.02334	2.1
161.04468	2.6
162.01033	1.2
167.03404	14.8
173.04483	2.0
191.05518	3.4
269.10321	2.9
329.12384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48707	1.2
59.01252	100.0
69.03321	2.1
69.11989	1.5
71.01261	5.7
71.57481	1.7
73.02825	1.8
83.01290	1.6
85.02849	2.3
96.95916	2.1
101.02323	3.5
113.02338	2.1
123.04401	1.7
125.02338	2.4
149.02390	1.3
160.57884	1.4
161.04471	5.0
167.03429	3.3
189.90656	1.5
269.10315	4.3
299.46060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01241	0.4
59.85521	0.3
65.24693	0.2
70.87876	0.7
83.04886	0.9
87.49744	0.2
91.52704	0.2
108.27141	0.2
112.96909	0.2
139.11116	0.3
141.12791	1.4
155.14294	0.3
167.14391	0.5
169.15891	0.9
185.00607	0.4
281.28494	1.1
282.28818	0.3
297.63202	0.2
309.28036	2.4
310.28137	0.3
316.93454	0.2
325.27496	1.4
326.27548	0.2
327.29025	100.0
328.29370	9.4
328.33295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01241	4.2
60.23433	2.8
71.57034	5.4
74.10558	3.0
79.05386	7.0
81.03326	4.9
91.26670	2.8
105.03369	3.5
108.02057	10.1
123.04402	100.0
135.04491	3.5
149.02309	14.3
152.01045	4.0
165.50758	3.3
167.03404	36.1
200.21362	3.2
329.08737	67.4
329.12527	4.5
330.08975	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	329.1026
Annotation	Monocillin I
Peak:m/z	Relative Intensity
51.92299	1.3
55.01752	1.7
59.01245	15.1
65.99728	2.5
66.03365	1.5
68.01280	7.2
68.99684	16.3
70.29018	2.6
70.29411	3.7
71.01257	3.6
73.02817	2.8
73.84949	1.5
82.02856	4.5
83.01245	3.4
84.00765	2.4
87.00768	2.1
93.03337	2.5
94.02825	3.4
96.00797	3.7
96.04411	2.9
96.95899	6.9
96.99186	7.4
97.02821	1.9
98.02341	1.6
98.19879	1.8
99.00761	8.7
101.02329	2.7
102.85439	1.5
108.02048	2.4
110.02343	4.3
112.00268	6.2
112.03935	1.7
120.99510	3.1
121.02812	8.7
122.02338	2.3
122.03628	3.1
123.04370	3.5
123.08010	9.6
124.00292	22.9
126.01864	8.3
127.11221	2.1
131.04898	1.8
136.66838	1.5
138.01819	2.9
140.03455	3.2
149.02336	99.4
150.03128	42.6
163.03903	7.7
164.04680	35.4
167.03455	1.8
168.02849	2.7
169.12320	1.9
171.10144	14.3
178.02650	20.8
182.02115	26.3
184.02443	6.2
186.03970	6.8
191.03387	11.8
191.07089	8.1
192.04211	21.2
193.04979	66.2
194.05193	2.4
196.03705	57.2
197.04077	2.0
201.11182	7.7
205.04926	3.9
205.08646	6.7
211.04187	1.9
211.13458	2.4
220.53766	1.6
227.03967	1.8
227.05865	8.0
241.05115	3.6
253.04958	2.4
269.04425	6.4
269.07040	43.1
270.05219	13.5
281.04553	8.7
284.06961	4.1
285.07654	22.0
286.93839	1.6
290.47501	1.7
296.06924	6.9
299.09177	2.8
301.10724	4.4
311.09207	3.8
314.07852	2.4
328.22281	1.4
329.10263	100.0
329.17108	19.5
329.23227	18.6
330.10660	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48056	0.6
59.01247	0.9
65.49137	0.5
71.54070	1.2
74.65039	0.5
77.08087	0.6
84.02193	0.5
105.16692	0.5
171.10173	0.6
185.00670	0.9
200.75415	0.6
243.05693	0.6
281.28452	4.1
309.28061	1.1
327.18326	2.9
327.22012	3.1
327.29034	100.0
328.29361	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	327.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96782	17.2
59.01242	31.6
70.68565	56.7
81.01553	15.8
81.03329	22.0
83.04886	67.5
97.31514	18.5
97.74492	15.4
114.23707	18.0
141.84976	16.3
152.63559	16.7
174.07054	16.4
185.00713	33.1
235.20610	34.3
253.21729	100.0
299.25992	22.5
327.18246	81.1
327.21832	36.6
327.28839	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03308	5.2
59.01248	5.7
71.01230	2.2
73.02806	4.6
79.09660	1.5
83.04900	2.4
85.02853	1.8
94.91708	1.6
96.95907	6.7
97.06445	3.5
112.05210	2.8
113.09635	9.1
115.07513	2.4
121.02837	1.9
125.09615	3.6
127.07531	1.7
127.11194	8.7
129.09111	6.4
137.09644	1.9
141.09094	2.8
151.11143	2.8
153.09143	1.9
155.10675	30.1
165.09148	2.3
168.91292	2.7
171.10185	24.4
185.11732	9.1
197.11754	7.5
201.11266	31.3
209.11787	5.7
211.13390	5.5
211.15231	1.4
213.11255	20.1
224.10139	1.6
227.12975	2.9
229.14354	2.6
291.19482	11.3
309.20752	23.6
310.21085	2.6
327.21768	100.0
328.22098	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37568	0.8
57.03323	2.0
59.01244	3.6
59.38119	0.8
68.45014	0.8
69.03342	1.5
71.01257	2.1
71.58696	1.2
79.95622	1.1
83.04907	1.2
85.02834	8.1
95.04945	1.2
96.95886	8.8
97.04031	0.7
97.06485	5.1
111.08003	1.1
119.04917	1.5
121.02831	5.6
125.09598	1.6
127.11146	2.4
129.02992	0.9
134.03625	1.2
135.04393	2.4
136.01547	3.4
147.04417	1.6
149.02353	1.6
151.03899	4.9
157.64778	0.8
158.24240	0.9
165.12700	1.5
171.10207	11.8
175.15909	0.8
176.52428	0.9
177.12877	1.0
179.03423	1.4
181.12308	1.1
182.78310	0.8
183.13853	4.0
185.11731	2.1
193.12308	1.1
197.11757	2.1
201.11296	2.3
209.11935	1.9
211.13338	19.4
212.13678	1.6
221.11771	3.3
229.14363	12.3
239.06898	1.1
239.12852	2.4
251.07118	0.9
267.06503	3.4
268.07370	11.2
269.07843	1.9
283.09775	4.3
284.10248	1.1
291.19638	3.3
309.20789	2.5
312.06400	5.2
312.09674	1.3
327.04974	3.5
327.08755	19.3
327.12637	2.4
327.21768	100.0
328.09167	1.8
328.22006	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01246	1.6
65.09554	0.9
70.35191	3.2
71.01241	1.2
71.04893	1.6
73.02832	5.0
83.39434	0.9
85.02808	0.8
87.04398	1.0
96.95888	1.0
97.06464	2.1
98.03587	1.6
99.08022	2.3
112.05196	1.6
112.86206	0.8
113.09625	1.5
115.07547	2.9
125.09600	2.1
127.07588	4.3
127.11175	1.7
129.09111	34.3
130.09421	1.0
137.44991	0.7
141.09120	13.2
141.12720	1.1
155.10693	26.1
156.10977	0.8
163.11134	0.8
165.12810	1.1
171.10193	16.8
173.08136	1.1
179.10677	0.7
181.12201	1.4
183.13805	1.1
185.11769	47.9
186.12122	2.0
196.47093	0.7
197.11778	40.1
198.12126	2.1
201.11258	6.6
209.11766	8.9
210.12038	1.1
211.13510	1.1
227.12839	1.2
249.10020	0.8
273.18552	1.1
291.19684	14.9
292.20053	1.2
295.02530	0.8
309.20715	29.3
310.21124	2.3
327.21765	100.0
328.22125	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.45958	0.9
54.04672	1.0
57.03305	2.3
59.01244	4.2
70.99397	0.9
71.49547	1.2
73.02802	2.1
80.02541	1.6
81.03312	2.2
83.04891	6.7
84.02054	2.4
85.02820	1.6
88.49893	1.2
95.04889	1.8
96.95893	2.5
97.06433	1.6
99.08020	1.1
100.45972	0.9
101.03297	1.0
112.89671	1.2
113.09592	1.9
122.36861	1.0
123.14095	1.0
125.09598	2.1
127.07524	3.5
127.11208	1.4
129.09091	19.0
129.15981	0.9
129.98808	1.0
136.08617	1.0
141.09096	7.9
155.10680	5.5
157.08635	3.9
158.93774	1.0
163.11185	4.3
165.12747	3.0
165.36423	1.2
168.91324	2.7
171.10167	8.1
181.12276	1.4
183.01132	2.1
183.13683	1.4
185.11745	32.6
186.11986	1.3
191.10666	1.3
197.11754	35.6
198.12030	1.5
199.13364	1.6
201.11266	2.0
209.11761	91.1
210.12105	3.5
211.13353	2.1
227.12868	10.1
229.14444	1.2
239.16524	8.3
291.19672	12.9
292.19962	1.3
309.20676	16.9
310.20920	1.7
327.16052	3.1
327.21762	100.0
328.22037	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
58.00476	1.5
59.01254	2.6
63.19298	0.4
65.03788	0.3
69.03323	0.7
71.01249	0.6
71.04887	0.8
73.02821	1.4
74.98970	1.1
85.02826	0.9
88.06593	0.4
93.06949	0.6
95.04891	0.3
96.95892	4.6
97.06464	1.1
102.98446	0.4
107.08549	3.2
109.06439	0.4
119.08562	0.9
121.02890	0.4
123.00746	0.4
123.08036	0.5
125.09612	7.2
127.11179	9.5
135.04384	0.4
137.09618	2.2
139.11212	0.9
143.10742	0.5
149.02350	0.5
153.09106	0.5
155.10686	4.3
157.12230	0.9
165.09120	3.2
171.10184	12.8
172.10542	0.6
183.10222	1.3
183.13799	1.0
185.11768	0.9
189.73643	0.3
197.11775	1.4
197.38773	0.3
199.09683	2.7
201.11259	80.2
202.11612	3.6
209.11754	0.8
211.13321	1.9
229.14410	0.7
229.19548	0.5
239.16383	0.9
259.14517	0.4
261.18512	0.7
273.18582	2.4
291.19717	3.7
297.07611	0.8
297.20615	2.3
309.15100	0.7
309.20660	6.0
310.20972	0.7
312.06570	0.5
312.10205	0.9
327.04984	1.1
327.08780	1.8
327.21759	100.0
328.22098	9.9
328.26001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03328	2.2
59.01247	1.3
60.62983	0.3
61.98698	0.3
69.03321	1.1
71.01247	1.3
71.04875	0.7
71.57068	0.4
73.02831	0.5
81.03336	0.3
83.01254	0.3
83.04899	0.8
84.02042	0.5
85.02823	7.1
95.04913	0.7
96.95895	1.2
97.02826	0.9
97.06471	4.6
109.02856	0.3
123.08048	0.4
125.09618	1.4
127.11189	1.5
137.09622	1.1
155.10695	0.5
155.14326	0.5
165.12767	1.2
167.14320	1.0
171.10185	11.3
177.12798	1.1
181.12233	0.6
183.13835	8.7
184.14244	0.4
185.11794	1.4
193.12231	1.5
195.13832	0.5
197.11765	0.9
201.11195	0.4
209.11754	1.8
211.13342	21.1
212.13631	1.7
221.11797	3.3
223.17021	0.4
229.14397	12.0
230.14728	0.9
237.18430	0.5
239.12885	2.0
251.16510	0.7
265.17886	0.6
266.81564	0.3
273.18680	0.6
283.19025	0.7
291.19656	3.9
309.20724	1.6
327.21759	100.0
328.22055	7.9
345.77463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99914	0.4
56.77472	0.4
69.03304	0.6
70.72759	0.4
71.01272	0.8
73.39617	0.4
83.04893	1.1
85.02807	2.5
95.04915	0.5
97.06474	3.8
127.11163	0.8
137.09532	0.5
155.10518	0.5
163.11176	0.4
165.12643	0.5
167.14417	0.6
167.36105	0.4
171.10216	5.4
177.12746	0.7
183.12396	0.6
183.13809	3.1
185.11723	0.9
193.12247	0.8
203.10823	0.5
209.11763	1.0
211.13332	18.8
212.13719	1.2
221.11775	3.0
229.14406	10.2
229.16185	0.3
230.14717	0.8
239.12856	2.3
291.19638	3.2
291.95425	0.4
309.20593	0.8
327.21744	100.0
328.22076	8.7
328.25494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
58.00469	2.1
59.01252	4.7
66.94569	0.4
69.03305	0.5
71.07264	0.4
71.07607	0.8
73.02824	0.4
83.04889	0.6
85.93628	0.4
87.04390	0.6
90.52372	0.4
96.95893	0.4
97.06468	1.3
105.34985	0.5
109.06432	0.8
111.08041	7.3
127.07526	1.3
144.96655	0.4
153.09103	0.4
153.12823	1.0
158.94118	0.4
164.54282	0.4
169.12259	4.6
171.10175	0.9
176.33804	0.4
179.28600	0.4
181.12267	2.0
183.13864	0.7
183.18404	0.3
185.11688	0.9
193.12285	0.7
194.49399	0.5
195.13841	0.9
197.11761	38.3
198.12160	2.3
199.13327	6.7
200.13649	0.7
205.48717	0.4
209.11688	0.9
210.12239	0.4
211.13382	5.6
212.13611	0.4
221.11777	0.9
221.15285	0.6
227.12836	1.1
229.14444	0.8
239.12772	0.5
239.16461	6.8
240.16942	0.4
247.20555	0.5
272.78677	0.4
273.18591	0.5
276.02017	0.4
283.09918	0.4
291.19644	4.6
309.20639	2.9
327.21750	100.0
328.22083	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38542	0.7
57.03329	4.0
59.01254	6.2
67.05408	1.1
69.03325	0.9
71.04903	4.4
83.04899	2.1
85.02859	1.5
87.04405	7.6
95.04899	0.8
96.95891	6.3
97.06460	3.0
107.01257	1.1
107.08542	6.1
117.03345	1.5
121.02914	0.8
121.10114	1.7
123.04347	1.1
125.02348	1.4
125.09633	4.1
127.11184	3.0
137.02460	0.8
137.09610	6.8
149.02383	1.8
151.00273	3.0
151.62119	0.7
152.00661	1.1
155.10678	1.1
163.05878	0.8
165.09094	0.9
171.10187	59.0
172.10544	1.7
177.16467	1.0
183.10045	0.9
185.11790	3.0
197.11702	1.7
201.11261	21.9
202.11629	1.4
203.14362	0.8
211.13280	1.4
221.15433	38.5
222.15720	2.9
223.16928	1.6
233.15402	2.0
239.16490	45.3
240.16779	1.6
251.16521	9.9
258.04745	1.1
267.23431	1.0
269.04501	13.8
269.17569	3.2
270.04886	2.7
282.04633	1.5
283.05231	0.8
284.05624	1.4
285.05942	3.4
286.04349	2.8
291.19699	14.5
292.20102	1.2
309.05881	0.9
309.20724	33.6
310.21155	3.1
327.07047	6.4
327.21759	100.0
328.22073	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
58.00459	1.3
59.01248	5.1
69.03330	0.8
70.33644	0.7
70.34026	0.7
71.01268	0.7
71.04893	0.5
72.99182	0.4
73.02804	0.5
75.23442	0.4
78.36891	0.4
83.04879	1.1
85.02819	1.1
87.04373	1.0
89.02319	0.7
94.42569	0.4
96.95889	4.5
97.06455	2.2
98.38499	0.5
99.08018	0.4
109.06477	1.0
111.08043	8.4
123.08067	0.6
125.09576	0.5
126.90279	0.5
127.07545	1.6
129.09076	2.5
141.09142	1.2
153.09036	0.4
153.12720	0.8
155.10594	0.4
157.08620	0.5
163.11278	0.5
165.12720	0.5
167.10663	0.4
168.91345	0.9
169.12276	5.2
171.10197	1.5
179.10716	0.7
181.12206	1.7
183.01135	0.8
183.13835	1.2
185.11696	4.7
185.12961	0.5
193.12288	1.0
197.11757	42.8
198.12096	2.5
199.13365	5.0
209.11757	5.3
211.13351	5.6
221.11761	0.9
227.12813	1.1
229.14420	1.0
235.60783	0.4
263.19965	0.7
265.15280	0.4
273.18503	0.5
291.19690	3.5
292.20053	0.4
309.20670	4.2
322.69937	0.4
327.09003	1.5
327.21759	100.0
328.16110	0.5
328.22110	9.2
338.83215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.29219	0.9
57.03315	1.1
58.00462	1.9
59.01254	1.6
59.78330	0.7
70.68471	2.4
73.02795	3.2
85.02841	1.6
90.99287	0.8
95.70824	0.8
97.06468	2.2
103.52932	0.8
105.12679	0.9
137.09671	0.9
153.12743	1.8
155.14325	3.9
162.82271	0.9
168.91292	0.9
169.56514	0.8
171.10176	3.6
181.12334	1.0
183.13803	7.6
185.11629	0.8
199.13316	6.7
211.13327	6.4
227.12738	2.4
229.14403	100.0
230.14745	4.6
239.16486	1.3
269.17572	19.0
270.17996	1.7
291.19577	2.2
309.20657	11.3
327.11877	1.1
327.15881	2.8
327.21848	13.6
328.21997	1.9
340.38724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49166	0.4
52.01027	0.4
52.76767	0.4
57.03315	1.2
58.00463	1.0
59.01251	5.5
65.21115	0.4
69.03332	0.8
71.01249	3.9
71.04901	0.6
71.17961	0.9
73.02818	0.6
83.04914	1.2
86.41448	0.5
95.04887	0.8
96.95883	1.9
97.06462	1.4
99.08051	0.5
108.01967	0.4
109.06464	0.8
110.03621	1.0
111.08034	7.4
113.75104	0.4
123.08057	1.3
125.09608	1.1
127.07555	0.6
129.09073	0.5
137.09581	0.6
140.49657	0.5
141.12761	0.6
151.11169	0.5
153.12750	0.9
155.10681	1.0
169.12251	3.3
171.10158	3.1
177.12729	1.8
181.12230	1.0
185.11740	10.1
197.11760	29.1
198.12128	1.8
199.13298	3.4
201.11234	1.1
203.10802	0.6
209.11766	4.5
209.15413	0.6
211.13297	3.0
221.11746	4.2
227.12810	1.4
229.14401	1.0
239.12886	3.6
251.16467	1.1
257.13861	0.6
263.20343	0.7
291.19641	4.1
309.20694	4.8
327.21750	100.0
328.22116	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
58.00478	1.9
59.01250	11.9
62.75087	0.8
69.03343	1.1
70.60836	1.8
72.99161	0.7
73.87679	0.6
74.97137	0.7
77.50697	0.6
83.04892	0.8
87.46705	0.7
89.95236	0.7
96.95885	0.7
97.06469	1.6
98.19907	0.9
108.34155	0.8
111.08037	10.5
125.09624	2.3
127.11179	1.1
135.08057	1.0
137.09616	2.9
138.91301	0.8
165.09094	0.8
169.12270	6.6
171.10182	8.4
181.12305	2.4
197.11763	49.1
198.12164	2.6
199.13329	6.4
201.11246	7.3
211.13318	5.4
222.73619	0.7
227.12825	1.9
229.14418	1.3
239.16374	3.7
283.09854	2.1
283.25909	0.8
291.19638	4.8
297.08124	1.3
309.20764	4.2
327.08987	10.5
327.21765	100.0
328.09186	1.1
328.22083	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41598	0.2
54.70200	0.3
55.01764	0.3
57.03341	2.2
59.01244	0.9
62.99114	0.2
65.07184	0.2
67.70740	0.2
69.03328	1.5
69.53290	0.2
69.92512	1.4
71.01253	0.8
71.04893	0.3
73.02809	0.5
80.02551	0.4
81.03344	0.4
83.04899	1.1
85.02829	5.5
87.04386	0.8
95.04900	1.1
96.95877	0.8
97.02834	0.8
97.06477	5.8
104.97866	0.3
106.04184	0.3
107.04915	0.3
110.03627	0.4
111.08070	0.3
119.08556	0.3
123.08070	0.7
125.09623	1.4
127.11178	1.6
137.09612	1.2
139.11214	0.3
143.10719	0.2
155.10689	1.1
155.14355	0.6
163.11154	0.5
165.12746	1.4
167.10628	0.4
167.14336	0.7
171.10193	13.5
172.10536	0.7
177.12778	1.2
181.12267	0.4
183.10191	1.2
183.13817	4.4
184.14159	0.3
185.11723	1.8
193.12311	2.0
195.13843	0.4
195.16913	0.3
197.11743	1.2
199.13278	0.3
201.11252	1.2
203.10809	0.6
209.11771	2.2
211.13342	22.4
212.13690	1.9
221.11818	3.7
229.14417	13.3
229.16757	0.3
230.14824	0.7
239.12854	2.2
239.16519	0.8
247.20850	0.5
284.03287	1.2
285.03833	0.5
291.19681	4.6
292.20099	0.5
309.20682	1.9
327.21771	100.0
328.22110	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1708
Annotation	Erythramide
Peak:m/z	Relative Intensity
59.01252	2.8
66.12998	1.2
67.07204	1.3
70.07657	1.2
71.57495	2.1
85.02836	2.5
96.95893	9.2
97.06480	1.6
99.08051	1.4
113.09556	1.4
125.09657	2.0
127.11183	1.7
128.28165	1.4
129.09068	2.5
130.81412	1.6
136.33878	1.3
154.13200	1.3
155.10660	5.8
163.11105	1.5
171.10201	6.2
183.13831	1.8
185.11792	5.2
197.11650	3.8
201.11234	1.8
207.10298	1.7
209.11784	4.4
211.13298	3.4
213.11555	1.3
225.11182	2.2
229.14365	2.2
242.68576	1.4
269.21201	69.4
270.01382	1.4
270.21530	3.5
291.19669	3.1
309.20554	6.2
327.16977	100.0
327.21667	29.6
327.25345	7.3
328.17276	8.6
328.21582	2.1
328.25742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
57.74092	0.8
68.73333	0.6
69.41850	6.2
79.10737	0.7
93.03320	1.7
96.95893	1.7
109.02821	1.4
119.02638	0.7
121.02824	10.3
133.02690	0.7
135.04427	1.4
145.02827	0.8
147.04431	5.2
148.05168	1.1
158.03622	2.1
159.04410	1.4
163.03885	2.0
175.03917	12.0
176.04666	1.4
189.05499	1.0
189.82782	0.7
190.06235	2.8
191.07074	5.1
197.06036	1.3
203.06976	0.7
207.08179	0.9
209.05997	2.0
211.07524	1.4
213.05608	0.8
222.05228	2.2
222.07037	0.8
223.07529	3.5
225.05536	1.5
233.06021	2.9
235.07547	1.9
237.05525	2.2
237.39522	0.8
239.07072	2.9
241.05008	1.5
241.08688	1.7
249.05461	2.9
250.06255	2.1
251.07080	9.3
252.07660	1.0
253.05008	0.8
253.08562	1.0
254.05724	0.8
261.05563	8.4
262.06207	2.2
263.07129	1.6
264.04172	1.7
264.42953	0.7
267.06589	6.2
268.07437	3.1
269.08191	11.7
277.05176	0.8
278.05844	2.0
278.09470	0.9
279.06607	18.9
280.07083	3.4
282.09238	0.8
283.09808	6.2
293.08228	1.7
294.08951	12.3
295.06320	1.0
295.09262	1.6
296.06992	1.7
297.07675	67.1
298.08017	3.9
309.11301	21.2
310.11639	1.4
311.09055	3.9
312.10028	55.6
313.10318	4.1
327.12347	100.0
327.21512	2.2
328.12726	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.6
60.70378	0.3
65.47340	0.2
71.01222	0.3
71.09348	0.2
71.09705	0.4
71.58291	0.2
73.32820	0.2
79.05397	6.3
79.05865	0.4
81.02875	0.5
81.03329	5.9
81.70444	0.2
85.02774	0.2
95.06054	0.2
96.95866	0.2
109.86158	0.2
112.76943	0.2
117.77177	0.2
118.94070	0.4
121.70123	0.2
122.03567	0.3
123.04400	100.0
124.04743	2.6
147.04439	1.0
165.05487	0.2
327.05246	0.4
327.13596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01249	0.3
65.00200	0.4
71.58815	0.3
74.78960	0.1
77.03834	1.1
80.09953	0.1
80.96401	0.2
93.03337	2.8
95.01280	1.5
95.04892	2.1
96.95885	1.4
98.95470	0.1
101.02304	0.2
105.03356	0.7
107.01266	0.2
109.02843	0.3
119.04895	0.3
121.02846	16.4
122.03185	0.3
123.04400	1.1
129.03325	0.4
130.04178	0.3
132.02037	1.0
133.02841	0.1
134.03651	0.2
135.04427	0.4
137.85864	0.2
138.46796	0.1
141.15192	0.2
145.02835	0.3
145.06383	0.2
146.03636	1.7
147.04408	3.4
148.01552	0.6
149.02345	100.0
150.02675	3.0
153.05484	0.4
161.05991	0.3
163.03970	0.4
164.04700	15.7
165.05490	5.1
171.10187	0.3
175.03928	0.2
177.05542	0.2
179.07047	1.1
184.63200	0.1
201.11275	0.2
223.07521	0.2
225.14932	0.2
235.07579	0.6
238.96204	0.2
240.07820	0.3
241.08711	0.2
250.06554	0.1
251.07071	1.1
252.07703	0.3
253.08578	0.3
253.86882	0.2
263.07086	0.4
264.07901	0.6
265.08682	0.3
267.06577	0.4
268.07419	1.7
269.08112	1.6
273.18414	0.2
279.06589	0.6
280.07419	1.6
281.08087	1.0
283.09753	2.4
283.19135	0.4
284.10410	0.6
295.09720	0.4
297.07733	2.1
297.11053	0.3
298.07861	0.2
309.11304	0.2
311.09482	0.2
312.10022	28.8
313.10345	2.0
327.12363	27.2
327.21585	2.6
328.12735	2.4
328.22031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.79208	0.4
57.03065	0.4
57.10883	0.3
59.01249	1.9
66.52538	0.4
69.64970	2.3
71.01244	0.6
79.05395	5.9
81.03329	3.6
96.95858	0.4
123.04404	100.0
124.04749	3.1
135.04445	0.5
147.04431	0.9
149.92665	0.4
150.03191	0.4
165.05478	0.9
176.97568	0.4
234.93083	0.4
267.03116	0.5
273.34537	0.4
297.33627	0.4
327.05139	0.6
327.13431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.5
66.19228	1.5
67.08825	1.5
71.06280	4.1
93.13621	1.7
107.03487	3.5
111.79294	1.7
123.60629	1.7
134.04619	100.0
147.87628	1.6
148.08949	1.6
182.46896	1.7
287.90100	1.7
306.33603	1.7
325.93381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	6,7-Dimethoxy-3',4'-methylenedioxyflavanone
Peak:m/z	Relative Intensity
59.01242	1.8
70.78278	0.4
71.01247	0.7
71.52467	0.8
85.06423	0.4
87.04759	0.4
87.74799	0.4
91.05401	1.0
102.86343	0.5
113.05946	0.9
121.02840	100.0
122.03167	2.9
122.72585	0.5
125.19768	0.5
131.07008	1.2
135.04404	11.3
137.09576	0.7
139.97792	0.5
149.05841	0.4
152.06883	0.5
155.79729	0.4
168.91319	2.0
171.10167	2.3
183.13869	1.1
185.11726	0.7
189.22897	0.4
195.13789	0.8
197.11800	1.0
199.00658	0.5
211.13405	0.8
213.14882	6.7
229.14453	0.7
239.07103	0.6
256.35791	0.4
269.04480	0.4
273.12778	0.4
309.20587	0.5
327.08725	16.3
327.16196	2.2
327.21814	11.1
327.25241	0.6
328.09225	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	326.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
59.01242	1.4
61.63113	1.1
62.31127	1.0
63.02274	2.4
65.00206	4.7
65.99713	1.7
69.03326	1.0
70.11386	1.1
83.01249	4.6
83.51768	1.1
84.21412	1.0
93.03363	2.4
95.01276	2.8
96.95903	1.1
98.20542	2.5
107.01270	7.0
109.02846	2.5
117.03369	13.1
119.01305	1.0
119.04886	2.1
120.16880	1.0
122.02357	1.5
123.00760	3.3
124.01567	3.6
125.02338	12.5
132.04436	5.2
133.02838	5.4
136.03960	1.4
137.02347	15.8
140.03447	1.1
145.02892	2.1
147.00822	1.2
147.04457	2.0
149.02396	4.9
151.00285	16.7
152.00974	2.1
159.04422	1.1
161.02319	2.9
164.03441	25.0
165.01830	2.2
167.05023	1.3
169.01392	1.3
171.04463	1.9
171.10214	1.5
174.05493	2.8
175.03870	2.5
177.01866	2.1
178.99768	2.3
185.05991	2.0
187.03944	1.8
188.14862	1.3
189.05515	1.7
192.00607	1.1
196.05199	1.8
198.05437	2.0
199.03976	2.4
206.04523	2.9
211.03929	2.0
213.05527	2.5
214.24635	1.0
215.03506	1.5
227.03537	1.1
229.05084	1.8
232.02446	1.2
239.03561	1.5
240.04283	2.3
240.06581	2.8
241.04993	7.9
243.03033	1.2
253.05075	1.7
255.02768	1.5
257.04529	7.0
258.07779	1.4
259.06274	1.3
268.03763	17.0
269.01590	2.3
269.04535	43.8
270.04858	2.3
271.06009	8.0
281.04529	7.2
282.04272	1.3
282.07486	1.4
283.05267	1.4
284.05655	49.7
285.04007	62.9
286.04611	5.6
298.07306	9.5
308.05649	16.4
309.05811	1.2
326.06693	100.0
327.07053	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
59.01252	28.6
71.01255	0.8
77.50365	0.5
79.95643	1.7
81.03336	0.7
83.04913	0.8
97.06458	1.0
99.08050	0.7
99.92474	2.1
102.43833	0.6
113.09592	1.0
116.89588	0.5
119.04937	1.4
121.10137	2.3
121.88745	0.5
123.00565	1.4
125.09619	0.6
127.11177	0.6
128.04085	0.5
134.04602	0.7
137.09624	0.7
139.11192	17.3
140.11461	0.8
151.11159	3.7
153.09180	0.8
153.22333	0.5
155.10632	1.3
159.01439	1.1
163.11209	0.9
170.00345	1.6
171.10191	17.2
172.10545	0.8
177.12772	5.9
179.14336	0.7
183.01138	45.5
183.10207	3.1
184.01534	2.1
197.02698	10.7
198.03310	1.1
211.04288	0.8
216.00897	1.1
225.05890	0.6
230.02454	0.8
239.07390	0.9
243.19630	27.6
244.20030	1.8
265.21899	0.5
275.20154	6.2
293.21237	7.9
294.21631	0.7
298.98956	0.6
307.19247	1.2
307.22736	12.7
308.23123	1.4
324.21490	0.7
325.18454	100.0
325.23849	47.0
326.11945	1.3
326.18713	10.7
326.24152	4.5
349.01257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38146	1.4
52.61391	1.5
55.01777	1.6
57.03326	6.9
59.01252	31.4
59.50455	1.4
65.03835	3.5
68.99348	1.2
69.03326	9.5
69.27737	10.6
69.28155	4.4
71.01263	2.7
71.04894	14.5
73.02827	2.3
83.04909	10.1
85.02821	12.1
93.03310	2.1
95.04915	1.9
95.27097	1.4
96.95889	6.3
97.02831	2.6
97.06471	12.7
100.04575	1.4
106.04129	2.6
107.04877	1.6
109.06479	6.5
111.08049	1.7
113.02279	1.5
119.04917	2.9
121.06476	6.2
123.04366	1.6
123.08047	13.5
125.09607	5.5
127.07496	1.5
127.11207	1.3
133.06448	1.5
135.08070	5.0
141.09100	19.9
143.07074	1.6
149.09621	1.4
153.09097	2.7
155.10699	2.6
157.08607	4.4
163.03935	1.9
163.11226	1.8
169.08623	1.9
171.10190	31.2
173.08105	2.2
183.10162	3.3
185.11775	11.9
197.11794	11.2
201.11284	6.2
209.11752	12.4
211.13281	4.8
213.14998	2.0
221.15448	2.0
223.13365	5.3
235.13359	12.0
237.14871	3.1
244.24706	1.5
248.24290	1.7
249.15002	2.6
281.08469	5.2
289.18091	9.9
295.06372	3.2
307.19098	10.5
325.07315	16.8
325.20203	100.0
326.20544	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.54383	1.4
53.91760	1.1
57.03322	4.6
57.58847	1.4
59.01252	8.5
68.02760	1.3
69.03342	2.0
69.83801	1.2
70.01556	6.4
71.01257	3.0
71.04893	5.9
81.03345	3.7
83.04928	1.8
96.95904	6.1
97.06446	8.9
99.08040	7.1
101.02328	1.5
111.08038	2.0
121.02864	3.1
122.03667	7.3
125.02383	1.8
125.09636	5.1
126.03165	3.5
136.05234	3.0
137.09656	2.4
139.11227	2.7
165.12775	8.3
167.14323	58.6
168.14738	2.3
171.10179	1.9
175.99422	1.2
176.76938	1.3
179.14273	1.2
183.01279	2.3
193.15892	30.9
194.16382	1.5
207.17485	39.8
208.17934	1.6
209.11888	4.7
231.17485	3.1
233.15506	2.1
249.18575	100.0
250.18979	5.5
275.16516	19.0
281.21219	76.3
282.21756	5.0
289.17953	3.1
293.17578	34.0
294.18115	2.2
307.19153	88.3
308.19513	8.3
325.16623	3.4
325.20325	58.6
325.23859	5.5
326.20688	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	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03307	1.2
57.37707	0.4
59.01253	4.0
71.01243	1.1
71.04900	0.8
71.13943	1.1
73.02811	1.2
80.02567	2.7
81.03333	2.3
83.04902	8.0
84.02041	2.0
90.68742	0.4
95.04895	0.8
97.02827	1.5
97.06467	2.1
101.02301	0.8
109.06432	0.8
110.03659	0.5
112.05193	1.2
115.07548	7.6
121.02840	0.9
123.08056	0.5
125.05979	1.0
125.09602	3.5
127.07484	0.7
127.11179	1.7
135.04410	0.6
135.08061	1.4
137.09596	1.7
155.10689	8.2
163.05936	0.5
163.11214	7.4
165.12761	4.1
171.10158	0.9
172.52408	0.5
178.09912	6.9
179.10678	0.5
181.12306	2.5
183.01105	0.6
185.11845	0.7
191.10661	2.2
197.11778	1.6
207.10204	5.8
209.11778	99.6
210.12083	5.7
222.58554	0.5
225.11281	5.8
226.11575	0.7
227.12727	1.0
228.35858	0.5
236.10498	1.3
237.22363	0.5
245.19127	1.1
253.18141	1.0
263.20209	1.0
265.12692	0.6
279.19617	1.7
281.21320	1.1
289.18112	4.5
307.19147	100.0
308.19504	8.7
325.14383	0.7
325.20343	8.0
325.23975	0.5
326.20578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.1
59.01245	3.7
59.54824	1.3
70.64578	3.0
70.64916	1.5
71.00907	1.8
71.01249	8.6
71.04900	8.3
72.02023	1.9
74.25761	1.2
80.02552	2.1
81.03311	2.2
83.04889	10.2
84.02044	3.5
85.02820	2.1
87.04388	1.7
95.04897	4.3
97.06478	7.4
98.19898	1.5
99.04378	2.4
99.08038	3.2
106.04108	3.3
107.04899	1.7
109.06472	4.0
111.04396	2.3
111.08057	2.3
112.05157	1.9
112.96693	1.3
115.07536	2.5
121.06449	1.7
121.62844	1.5
123.04323	1.7
123.08059	5.3
125.09620	8.7
127.07554	18.6
135.08075	7.3
137.09662	1.7
139.07564	5.5
139.33318	1.4
141.09027	1.4
146.92621	1.3
153.09120	22.3
155.10663	5.5
163.11211	7.0
165.12758	3.9
171.10194	29.9
177.12567	1.7
178.09885	3.0
181.12238	2.3
185.11765	25.8
191.10686	1.7
197.11772	22.5
201.11290	5.1
207.10175	1.6
209.11774	89.9
210.12093	4.9
211.13330	2.5
233.83997	1.7
235.13303	3.0
237.14912	13.3
238.12135	6.7
239.16675	1.7
245.19048	4.0
256.13062	4.8
281.21155	2.8
289.18079	18.5
297.20856	1.5
307.19156	100.0
308.19400	8.1
325.20193	60.4
326.20563	4.0
340.04773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87639	0.8
55.01762	1.1
57.03323	7.8
59.01246	7.8
59.85843	0.8
69.03317	3.9
71.01246	2.0
71.04871	1.0
71.58347	1.5
74.11383	0.9
83.01229	1.3
83.04895	2.2
84.02070	2.1
85.02816	24.8
86.03204	0.8
95.04871	1.3
96.95876	2.5
97.02795	5.8
97.06446	6.0
99.04402	0.9
101.02323	1.1
109.06474	1.9
110.03632	0.8
111.04399	1.3
111.08025	1.0
114.03085	1.2
119.04908	3.2
120.48331	0.8
121.06468	2.0
123.08048	2.6
125.05939	0.9
125.09621	1.1
129.01823	1.1
141.09102	37.1
142.09435	1.7
157.08575	1.6
163.03955	1.8
163.11186	1.2
165.12762	3.1
169.08649	1.8
171.10156	2.3
175.57312	1.0
181.12242	2.9
191.10709	1.4
195.10120	1.2
197.11731	1.9
209.11757	10.9
213.14880	1.1
219.13936	2.2
227.12842	5.8
249.15070	1.3
252.19516	0.9
289.18097	3.6
307.19067	3.0
325.20172	100.0
326.20358	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.8
59.01252	0.9
59.02247	0.6
62.93760	0.6
65.63905	0.6
67.49926	0.7
70.72292	2.1
71.01248	2.2
71.04905	0.7
80.02560	1.5
81.03333	1.7
83.04896	6.1
84.02036	2.3
85.02828	0.9
95.04896	1.4
97.06466	1.3
99.08028	1.2
109.06493	1.1
115.07539	1.5
125.05984	1.2
125.09605	1.5
127.07545	6.1
135.08037	1.5
139.07526	1.6
155.10678	1.3
163.11240	5.7
165.12764	3.0
171.10191	2.1
178.09897	1.7
181.12225	1.6
183.39322	0.6
185.11786	6.6
191.10719	2.5
197.11800	5.7
207.10139	1.0
209.11775	100.0
210.12154	4.3
227.12846	6.8
230.06541	0.8
238.12152	3.2
245.19035	1.3
256.13080	1.0
265.07501	1.2
289.18134	3.7
289.97879	0.7
307.19153	33.8
308.19440	2.1
316.24969	0.7
325.16660	1.0
325.20212	14.2
326.20551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92779	0.5
59.01257	2.0
64.41327	0.5
73.02831	0.5
76.02587	0.4
83.04892	1.6
85.02782	0.5
85.06460	20.5
94.90686	0.4
96.93153	0.4
98.20547	1.1
111.04402	10.8
122.37378	0.4
125.09613	0.4
129.05467	100.0
130.05811	2.2
152.11447	0.4
183.13844	2.2
195.13776	3.5
209.11765	0.6
213.14903	15.5
214.15211	0.9
217.39500	0.4
305.60013	0.5
307.19052	1.1
325.18576	1.8
325.23834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.17039	1.2
57.03315	7.8
58.00469	2.2
59.01242	7.6
69.03316	4.7
71.01261	4.3
71.04874	6.5
78.57293	1.3
80.02572	1.4
83.04861	6.1
85.02832	1.5
85.06477	2.7
87.04396	2.0
91.05447	1.8
95.04913	3.5
97.02833	5.0
97.06446	4.4
104.42431	1.1
107.04932	1.3
109.06466	35.3
111.08010	2.2
113.05949	1.4
123.08042	2.6
125.05967	3.5
127.07534	3.6
130.48813	1.2
151.11163	2.4
153.12825	2.3
165.12785	1.6
167.10716	1.4
169.12239	7.2
171.10153	2.9
177.12675	1.5
179.10641	1.2
181.12257	5.6
183.10159	3.6
183.13800	2.7
184.28363	1.3
185.11771	2.6
193.12230	2.1
197.11749	57.2
198.12093	3.3
199.13297	8.3
209.11757	5.0
211.13329	34.8
213.11235	4.7
221.15401	1.4
223.13338	3.2
225.14882	2.5
227.12860	2.5
235.13326	4.4
236.81296	1.2
237.14946	4.5
249.14996	3.6
251.16402	3.3
265.07645	2.2
273.53546	1.2
289.18188	8.0
307.19144	5.9
325.20178	100.0
326.20493	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22803	1.0
57.03307	2.9
58.00464	1.8
59.01248	16.7
65.03842	1.4
69.03325	8.0
71.01243	4.0
71.04884	5.0
73.02811	1.7
81.03336	1.8
81.14802	1.1
83.04892	7.4
84.02048	2.2
85.02824	2.0
85.06481	1.1
93.03320	1.3
94.50087	1.3
95.04897	5.2
96.95875	1.2
97.02814	2.3
97.06463	33.0
98.20612	1.5
99.07985	1.2
107.04908	1.5
109.06458	4.0
111.04394	2.8
111.08051	5.1
115.07512	1.1
116.07079	5.4
121.06500	1.5
123.08053	2.8
125.09603	3.4
127.07552	7.2
135.08105	2.6
139.07509	1.6
147.11678	3.2
149.09612	3.0
153.09099	3.7
157.08553	3.7
163.11177	3.5
165.12733	5.3
167.10683	26.1
171.10199	12.1
173.13232	1.8
175.11127	1.7
179.10678	3.9
181.12242	4.6
185.11761	8.2
191.10680	7.8
193.12242	1.4
195.10162	5.6
197.11766	26.2
199.13301	1.9
201.11212	2.8
209.11761	75.9
210.12048	3.6
211.09790	1.8
211.13327	4.5
219.10135	2.2
220.10962	9.2
223.13353	3.2
225.11357	1.2
227.12773	6.1
227.18001	1.7
231.13815	1.3
235.13408	2.4
239.12793	1.2
245.19077	2.8
249.15001	2.9
256.12897	1.4
283.08572	1.5
289.18115	14.0
307.19141	41.3
308.19519	2.8
325.09650	8.9
325.20184	100.0
326.20413	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03315	4.1
58.00455	6.0
59.01248	25.5
64.76620	1.9
69.03331	2.7
71.01255	13.7
71.04889	2.4
72.99168	2.7
73.02788	2.9
83.04896	5.4
84.02049	2.1
89.02368	2.1
93.06971	2.6
95.04898	2.2
97.06445	3.4
109.06460	5.7
111.08035	40.6
121.06469	1.7
123.08057	12.5
125.09590	6.7
127.07568	3.1
127.11198	4.0
133.06480	2.6
134.04645	2.0
135.08041	6.8
137.09550	3.9
139.11232	2.9
151.11165	5.7
153.09106	7.7
155.10670	8.7
157.12164	2.2
163.11201	4.5
165.09215	2.8
167.10678	8.2
169.12239	5.8
170.81407	2.1
171.10167	55.9
181.12282	4.2
183.01143	3.4
183.10205	5.9
185.11751	37.5
191.10701	2.1
195.10222	8.4
197.11766	28.0
199.13382	12.6
201.11255	51.5
202.11607	1.9
207.10202	2.4
209.11731	10.7
213.11266	16.5
215.12769	3.4
225.14908	4.3
227.12811	56.4
228.13333	2.7
229.14435	7.7
237.14906	2.1
245.19086	6.0
265.18323	2.3
289.18094	16.4
307.19095	16.3
325.09979	2.8
325.14496	3.9
325.20197	100.0
326.20465	6.8
327.86148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
52.22908	1.4
57.03311	1.9
59.01257	10.7
63.96099	5.6
64.22355	1.6
64.24350	1.6
68.99572	1.6
70.03255	4.9
71.01247	2.9
73.02810	2.8
83.04912	2.4
96.95882	2.0
99.08028	1.8
115.07528	1.6
121.02847	5.5
122.03610	6.6
125.09602	4.0
136.05222	3.4
144.43840	1.5
151.11174	1.7
165.12692	2.7
167.14333	6.4
167.74341	1.4
168.04195	2.3
168.56558	1.8
171.10204	4.3
177.09431	3.6
183.01143	3.0
188.96220	1.6
193.15958	3.5
196.89221	1.5
207.17488	2.7
209.11848	2.2
231.17473	3.3
246.61496	1.9
249.18573	39.1
250.18872	2.5
275.16504	25.8
281.21201	5.8
293.17609	100.0
293.21103	6.8
294.17862	6.2
307.19138	7.9
307.22531	3.5
325.20148	76.4
325.23883	21.8
326.20593	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29713	0.2
59.01238	0.6
59.86540	0.2
61.88888	0.2
77.30324	0.2
79.95620	1.1
83.50351	0.2
98.19757	0.5
119.04897	1.1
150.90085	0.2
165.28006	0.2
170.00319	1.6
183.01126	53.5
183.58641	0.3
184.01743	2.0
197.02681	1.5
198.03548	0.4
206.11131	0.2
216.00880	0.8
225.05920	1.2
239.07394	0.7
253.08847	0.5
261.22275	0.4
267.10541	0.3
325.18390	100.0
326.18726	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50376	1.4
57.03327	9.3
58.00481	1.6
59.01252	7.5
60.45735	1.2
69.03312	4.2
69.61366	9.4
71.01247	3.3
71.04882	8.4
81.03362	1.7
83.04903	4.2
84.02055	1.5
87.04384	3.1
91.05412	1.5
95.04899	2.9
97.02820	3.2
97.06462	7.3
101.05991	1.4
107.04885	2.4
109.06474	26.8
111.08015	4.5
113.05971	1.9
123.08039	2.0
125.05937	1.9
125.09595	4.6
127.07524	3.3
127.11162	2.8
137.09636	2.4
149.09627	1.7
151.11185	2.2
153.09218	1.4
163.11232	1.6
167.09302	1.3
167.10681	3.4
169.12233	7.3
171.10208	3.9
181.12238	5.5
183.13797	1.8
191.65111	1.2
193.12289	4.0
195.13910	1.6
197.11758	46.1
198.12025	1.9
199.13280	3.9
201.11266	22.8
209.11833	1.7
211.09590	2.3
211.13339	28.6
213.11281	7.1
227.12785	3.2
235.13348	3.7
237.14905	21.7
239.12759	1.8
249.14922	3.2
272.01639	1.5
289.18060	18.2
307.19089	10.3
325.20172	100.0
326.20529	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54846	1.2
53.32187	1.2
59.01253	7.0
65.22806	1.3
71.01266	1.3
71.58793	2.1
71.96348	1.4
72.07871	1.4
74.98982	2.2
78.95811	3.1
83.04896	1.8
93.03357	3.7
96.95878	9.2
109.02848	1.4
115.03908	1.3
119.04909	8.1
128.83003	1.6
130.04181	1.5
134.03610	8.0
135.04427	3.8
147.04430	16.7
148.05186	2.8
149.00792	1.4
149.06029	3.5
165.52823	1.5
175.03929	100.0
176.04700	62.0
177.05388	5.6
189.05553	9.1
190.06270	25.9
191.07007	2.1
192.41138	1.3
204.04230	25.6
205.04538	1.5
208.03717	25.2
209.04039	1.6
209.11742	2.9
217.04996	17.7
218.05765	10.4
219.06584	63.5
220.06909	3.0
222.05305	30.8
231.06636	2.3
235.07677	2.3
249.15018	2.4
252.07899	3.9
263.07050	3.2
279.10272	3.5
280.07486	7.3
281.08182	35.2
282.08551	4.1
289.18076	9.0
292.07458	5.9
295.06122	2.5
295.09818	2.6
297.11240	3.9
307.09772	4.8
307.19098	3.5
325.03760	3.1
325.10809	86.6
325.20062	9.8
326.11182	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79775	0.4
59.01254	0.9
60.52929	0.3
61.72609	0.4
70.89870	0.9
73.63407	0.4
77.19180	0.4
83.04935	0.4
93.03359	1.5
96.95895	1.1
109.02853	0.7
117.03341	0.7
121.02842	3.6
125.02312	0.4
131.04967	0.6
135.04475	0.6
145.02905	0.8
146.03633	0.8
147.04477	0.4
149.02325	2.1
158.03758	0.5
159.04492	0.8
161.02405	0.5
162.03214	0.5
163.03922	0.9
167.08556	0.9
169.06374	0.4
171.10141	0.7
173.02357	1.1
174.02959	0.5
176.04729	1.0
181.06583	0.6
183.08083	1.2
186.03139	0.5
187.03975	1.0
188.04724	0.7
193.06461	1.8
195.04460	2.6
195.08073	2.6
196.05191	2.0
197.06033	2.1
198.02867	0.4
205.06586	0.9
207.04478	0.7
209.05975	2.2
209.11815	0.6
210.06769	0.8
211.03958	1.6
211.07590	3.9
212.04675	0.7
212.07973	0.5
219.04480	0.7
220.05280	1.1
221.05981	5.7
222.06798	1.8
223.03984	1.6
223.07562	2.9
224.04727	3.4
225.05519	2.0
233.05977	0.6
235.03781	0.5
236.04836	0.5
237.05524	11.7
238.06253	4.5
239.07101	9.1
248.04820	2.7
249.05540	9.6
250.06277	3.1
251.03423	3.5
251.07159	3.0
252.04175	0.9
252.07872	0.5
253.04907	0.8
254.05650	0.4
262.06302	1.0
265.05014	4.9
266.05835	5.5
267.06616	42.8
268.06866	2.3
276.04300	0.5
277.05035	4.0
278.05798	3.2
279.06586	3.4
280.07364	0.7
281.08228	3.1
282.08658	0.8
289.18073	0.8
293.04700	0.5
293.08188	1.1
294.05301	1.0
294.08951	1.6
295.06104	99.2
296.06451	7.2
307.19165	1.1
309.07669	3.8
310.08456	69.4
311.08762	5.3
325.10794	100.0
325.19934	1.9
326.11176	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29250	2.6
59.01244	16.9
63.33063	2.9
69.40373	17.8
69.40778	7.1
71.01249	7.4
73.02821	5.4
79.95601	7.8
87.00768	4.6
96.95894	34.8
98.20588	5.7
101.02299	4.6
103.00262	5.2
108.92187	2.7
109.02820	3.8
119.04889	4.5
120.14040	2.5
121.02843	100.0
134.03581	3.7
135.04411	22.7
147.04453	14.8
149.00806	6.0
161.02307	4.7
163.03922	6.3
175.03873	13.9
179.03326	3.1
193.04990	5.1
243.96587	2.7
261.11285	5.0
267.06570	5.7
277.04605	3.4
295.06134	8.2
303.08890	11.6
310.08292	4.4
325.10938	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
60.37144	0.5
62.19042	0.6
64.36213	0.5
67.47928	0.5
68.19779	0.6
69.87566	2.2
69.87967	1.0
96.95878	2.9
108.27007	0.5
119.04906	100.0
120.05235	4.4
137.04884	0.6
158.98903	0.6
159.00229	0.6
163.03903	80.2
164.04286	2.9
212.85822	0.6
264.56085	0.6
325.09418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
61.73961	0.2
63.34146	0.2
69.81728	1.4
89.27055	0.2
93.03322	0.5
96.95867	0.2
110.12194	0.2
115.60122	0.2
117.03364	0.3
119.04913	100.0
120.05241	3.5
138.59271	0.2
139.28595	0.2
145.02811	0.2
145.75058	0.2
163.03914	53.3
164.04225	2.1
202.12849	0.2
239.23982	0.2
294.47867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2588
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
55.15300	0.7
56.80641	0.5
59.01243	7.4
66.91476	0.5
71.01241	1.1
71.07554	1.4
85.02798	0.8
101.02367	0.9
116.92807	0.5
121.07474	0.5
155.14308	1.1
161.04391	0.8
165.12770	2.5
172.08861	0.6
223.16971	3.7
261.18536	0.5
279.26822	0.9
305.24850	3.6
323.25879	100.0
324.26212	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.9
66.09891	1.3
71.01254	2.4
71.57247	2.2
72.99163	1.8
78.95793	2.3
85.02821	6.1
87.00748	10.9
89.03852	3.0
92.02492	1.6
93.03363	2.1
94.30201	1.4
95.59843	1.6
103.00250	4.7
105.19127	1.5
112.98679	12.3
113.02325	5.4
117.03329	8.2
119.04894	9.4
134.03625	86.3
135.04349	5.3
136.04739	2.8
149.00882	1.8
149.05986	8.4
163.03883	5.1
176.03926	4.4
176.54074	2.6
177.04219	1.7
178.02623	4.1
178.79781	1.5
191.05537	2.1
193.04987	100.0
194.05411	3.0
228.12894	1.6
232.34586	1.6
265.05722	2.0
280.25934	1.5
325.07785	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	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.15097	0.8
59.01250	20.9
71.01238	4.7
85.02785	0.9
87.00743	1.1
89.02303	2.0
91.48199	0.8
96.95891	20.1
99.00765	1.3
101.02338	1.5
113.02313	2.6
137.05933	1.3
156.04131	0.9
161.04448	2.1
165.09109	1.5
165.12756	1.6
217.15869	1.2
261.22299	4.4
265.14761	24.0
266.15143	1.9
275.85471	0.9
305.21222	100.0
306.21527	8.1
323.10117	1.8
323.16891	2.9
323.22281	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
56.30927	2.4
59.01247	70.0
71.01252	6.4
71.04900	7.7
72.72763	2.2
78.28432	2.5
78.95778	2.5
85.02814	5.3
86.79005	2.2
89.02312	3.5
89.18465	2.1
95.45201	2.1
96.95905	3.7
97.06501	3.7
98.19762	5.7
101.02309	5.6
113.02338	5.5
119.08508	3.1
121.02833	6.9
121.10097	13.4
125.09615	8.5
137.09567	16.1
149.09712	5.6
161.04475	2.9
161.05864	2.6
165.01848	5.9
167.14326	2.3
171.10175	19.3
185.11771	19.6
194.07481	2.4
197.11794	2.5
221.96371	2.3
229.25603	3.2
265.18137	4.2
273.18622	5.0
291.19644	100.0
292.20035	4.9
305.21234	34.0
306.21591	3.7
323.12927	2.7
323.18781	6.5
323.22275	57.8
324.22641	3.2
343.04791	2.5
344.02042	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15097	0.8
59.01250	20.9
71.01238	4.7
85.02785	0.9
87.00743	1.1
89.02303	2.0
91.48199	0.8
96.95891	20.1
99.00765	1.3
101.02338	1.5
113.02313	2.6
137.05933	1.3
156.04131	0.9
161.04448	2.1
165.09109	1.5
165.12756	1.6
217.15869	1.2
261.22299	4.4
265.14761	24.0
266.15143	1.9
275.85471	0.9
305.21222	100.0
306.21527	8.1
323.10117	1.8
323.16891	2.9
323.22281	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62094	3.0
55.01734	7.7
57.03315	10.1
59.01250	78.1
60.19884	2.8
69.03294	3.3
69.34303	19.1
69.34732	9.9
71.01240	12.4
71.04893	22.6
80.02527	3.6
81.03336	13.6
83.01260	17.9
83.04887	16.4
84.02026	9.8
85.02822	9.2
87.00760	2.9
89.02301	3.7
93.03346	4.8
95.01284	3.5
95.04900	69.5
96.95880	8.1
97.02821	5.4
97.06465	15.2
98.20557	6.0
101.02303	5.8
106.04062	4.6
107.04894	5.6
108.02056	2.9
109.06460	9.7
111.04383	3.9
113.02312	10.2
113.05964	32.1
121.02825	12.2
121.06496	4.4
123.04402	11.4
123.08018	15.5
125.05965	3.3
125.09618	30.3
130.08603	6.4
133.06488	4.9
133.54008	3.6
135.08054	24.3
139.07564	2.8
142.02580	3.5
149.09550	5.6
151.07553	5.5
153.09158	4.3
161.04411	4.6
163.11191	9.7
165.01813	4.2
165.12776	3.4
171.10178	30.5
172.10605	3.4
175.11183	4.1
177.05409	3.0
181.12187	5.6
185.11743	22.1
189.12755	6.7
191.10616	3.5
197.11760	4.1
203.14343	10.6
205.10173	3.0
209.11768	90.7
210.12091	5.5
211.13327	9.4
221.11838	3.4
221.15289	4.0
223.13255	8.2
231.13828	6.4
237.14880	7.7
243.17456	9.2
247.13292	8.4
249.14850	4.6
265.14432	33.3
287.16635	15.4
305.17587	32.8
306.17950	4.2
323.18588	100.0
324.18747	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21533	2.3
51.22828	2.1
55.01761	2.5
57.03321	19.3
59.01251	79.1
60.01565	3.0
67.01755	2.5
69.03340	4.9
70.01788	11.7
71.01258	11.9
71.04893	22.5
73.02830	2.9
78.95755	3.8
81.03329	10.4
83.01257	13.6
83.04903	15.1
83.05344	2.5
84.02069	5.8
85.02812	12.4
89.02325	5.9
93.03338	4.2
95.01290	2.9
95.04896	39.8
96.95900	8.9
97.02831	3.2
97.06461	17.8
99.04416	5.0
101.02303	3.8
101.05956	7.7
107.04882	2.5
108.02048	3.4
109.06467	10.6
113.02314	7.6
113.05970	21.9
119.04901	2.6
121.02834	8.6
123.04417	8.0
123.08028	6.6
125.05977	4.6
125.09608	28.8
135.08069	18.5
136.48398	2.5
137.09618	3.3
149.09612	2.9
151.11154	3.4
153.09097	3.7
163.11185	9.2
165.01855	3.2
165.09184	3.7
165.12726	7.5
167.10669	4.7
171.10124	5.4
177.09113	3.3
177.12741	5.6
181.12169	6.4
185.11739	19.6
189.12753	6.0
191.10735	8.2
195.13855	3.2
203.10664	5.5
203.14331	6.4
205.15714	2.4
207.10207	4.3
209.11772	100.0
210.12050	4.4
211.13260	6.4
221.11807	5.9
221.15390	3.0
223.13161	2.4
231.13829	4.1
233.11832	4.1
237.14928	78.8
238.15260	4.8
243.17511	11.0
247.13327	8.1
249.14914	5.7
261.18616	3.0
265.14398	21.1
268.92667	2.3
287.16553	33.9
305.17535	47.3
306.17941	3.7
321.67276	2.5
323.09732	3.5
323.18619	37.4
324.18927	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	6.0
59.01248	66.3
65.03844	2.3
68.56510	1.8
69.03339	2.3
70.25603	1.9
70.38791	7.4
71.01255	9.1
71.04866	2.4
73.02817	2.9
74.98967	2.1
78.42673	1.8
80.02528	6.2
81.03325	2.9
83.04892	7.9
84.34056	2.0
84.35645	1.9
85.02814	5.7
89.02311	4.8
92.69806	1.9
95.04903	10.7
96.95879	5.6
97.02819	6.6
97.05859	3.9
97.06461	54.1
99.00722	2.0
101.02305	3.7
109.06467	37.4
113.02332	5.5
116.94221	2.2
121.02874	3.7
123.08031	9.6
125.09605	49.6
135.08047	23.5
161.04581	3.3
161.05972	31.0
163.11195	6.1
171.10107	3.1
181.12227	6.5
185.11685	3.5
197.11732	2.5
207.10187	25.2
207.13419	2.3
209.11740	4.7
217.15923	3.0
223.13396	15.4
225.11272	21.4
226.11748	2.2
229.51410	2.3
235.13383	3.3
243.17415	3.8
249.11081	3.8
261.14960	3.0
261.18613	3.6
263.51819	2.4
265.14365	3.6
267.11996	2.5
269.15405	3.0
277.18027	5.3
279.15997	68.9
280.16339	4.6
287.16571	22.3
288.16769	3.5
305.17575	100.0
306.17868	8.9
322.98981	2.7
323.09543	2.8
323.18619	12.5
323.21967	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.08034	1.5
59.74202	1.4
71.01246	4.8
71.52924	2.3
85.02815	2.2
89.02338	1.6
101.02316	3.6
101.05950	1.7
113.02326	3.0
137.31799	1.2
140.04218	1.2
142.08015	1.4
161.04439	4.2
176.73793	1.6
188.18964	1.3
220.32619	1.3
261.42270	1.4
263.11551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91700	0.6
55.35671	0.6
56.36599	0.6
59.01248	100.0
60.01580	0.7
71.01273	1.5
71.58482	0.9
83.01231	0.6
85.02814	1.4
96.95867	1.5
101.02332	2.0
113.02301	0.7
139.74553	0.7
161.04471	1.2
161.76425	0.7
193.44060	0.6
233.83722	0.7
263.15002	3.1
307.94711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03311	6.0
59.01248	66.3
65.03844	2.3
68.56510	1.8
69.03339	2.3
70.25603	1.9
70.38791	7.4
71.01255	9.1
71.04866	2.4
73.02817	2.9
74.98967	2.1
78.42673	1.8
80.02528	6.2
81.03325	2.9
83.04892	7.9
84.34056	2.0
84.35645	1.9
85.02814	5.7
89.02311	4.8
92.69806	1.9
95.04903	10.7
96.95879	5.6
97.02819	6.6
97.05859	3.9
97.06461	54.1
99.00722	2.0
101.02305	3.7
109.06467	37.4
113.02332	5.5
116.94221	2.2
121.02874	3.7
123.08031	9.6
125.09605	49.6
135.08047	23.5
161.04581	3.3
161.05972	31.0
163.11195	6.1
171.10107	3.1
181.12227	6.5
185.11685	3.5
197.11732	2.5
207.10187	25.2
207.13419	2.3
209.11740	4.7
217.15923	3.0
223.13396	15.4
225.11272	21.4
226.11748	2.2
229.51410	2.3
235.13383	3.3
243.17415	3.8
249.11081	3.8
261.14960	3.0
261.18613	3.6
263.51819	2.4
265.14365	3.6
267.11996	2.5
269.15405	3.0
277.18027	5.3
279.15997	68.9
280.16339	4.6
287.16571	22.3
288.16769	3.5
305.17575	100.0
306.17868	8.9
322.98981	2.7
323.09543	2.8
323.18619	12.5
323.21967	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	323.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.0
59.24909	1.9
70.92854	3.2
70.93190	3.8
71.01271	3.2
77.01588	1.8
78.95778	100.0
88.32504	2.3
88.86210	1.6
92.64545	1.6
96.96842	50.2
101.02317	2.5
111.01873	15.0
138.97870	5.4
146.09325	1.8
150.97890	3.7
209.54375	1.8
211.00114	16.6
280.02243	2.3
323.02853	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	323.0283
Annotation	UMP
Peak:m/z	Relative Intensity
59.01247	2.4
71.53203	0.8
71.57111	1.2
75.80066	0.7
78.95773	100.0
79.63297	1.0
90.37231	0.8
94.66536	0.8
96.96838	50.2
111.01885	10.3
135.04408	1.0
138.97942	4.2
150.97925	2.9
192.98981	1.7
211.00081	8.4
265.89590	0.8
280.02277	3.1
323.02841	29.3
324.02945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01238	4.8
70.56093	1.5
71.04896	3.6
71.58606	2.0
78.95779	2.4
79.10754	1.5
86.02353	2.2
113.09604	4.5
113.39041	1.6
195.13869	2.5
199.13205	2.4
223.16846	2.1
248.69130	1.7
251.20128	2.6
263.20139	27.9
264.20422	3.4
303.23303	33.8
304.23615	3.6
321.24332	100.0
322.24365	8.0
322.27673	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02851	1.8
59.01247	3.3
69.69769	0.2
71.01258	0.5
75.00771	0.2
75.93725	0.2
81.03330	0.4
85.02860	0.3
95.04894	0.7
96.95883	0.7
97.06456	0.5
105.54917	0.2
109.06467	0.7
113.02265	0.3
128.10706	7.8
130.08632	100.0
131.08981	2.3
165.12747	0.8
172.09770	0.3
178.03253	0.3
230.02663	0.3
230.89493	0.2
322.20218	30.1
323.18237	0.8
323.20609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	0.8
65.60519	0.3
70.05135	1.6
70.75031	0.4
71.01254	0.5
79.95610	0.4
89.02297	0.4
98.20444	0.4
98.61308	0.3
103.03896	1.3
151.87308	0.4
170.31940	0.3
181.43306	0.3
197.47455	0.4
277.18121	0.6
321.20697	53.6
322.21030	4.4
330.89969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	1.3
60.20637	1.2
71.01254	19.8
71.58021	1.9
72.99179	1.9
73.02821	5.7
83.01236	4.4
85.02824	11.5
87.00774	1.7
89.02330	4.9
95.01295	1.3
96.95872	2.2
99.00751	3.0
101.02329	14.5
113.02322	8.5
134.03638	4.1
149.05957	1.4
159.10155	4.7
161.04504	6.8
178.02597	2.0
193.04994	6.6
208.51945	1.5
279.14529	20.0
280.14880	1.8
321.15784	10.7
323.15402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1704
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03318	8.0
59.01250	32.5
61.98717	2.3
67.01766	1.8
69.03334	3.3
69.59300	5.0
69.59705	9.4
71.01241	4.1
71.04892	11.8
73.02808	3.1
78.98757	1.8
81.03329	7.1
83.04889	5.9
85.02781	2.2
93.03329	15.1
95.04894	68.4
96.95914	2.5
97.06448	11.5
104.48312	1.8
107.04889	14.3
109.06456	14.4
110.24963	2.3
111.04370	10.0
111.08063	2.5
121.02837	8.3
121.06453	6.6
122.03617	2.8
123.04382	5.7
123.08028	10.0
125.09608	60.8
125.10535	4.0
129.35645	1.8
133.06544	3.3
135.04419	8.4
136.05148	3.7
137.06033	3.0
149.05980	12.5
151.07555	100.0
152.07858	2.4
165.05466	9.2
167.07014	7.4
171.10176	17.4
178.06261	5.3
179.07689	2.2
185.11736	19.4
191.93355	1.9
205.12253	2.9
219.13942	2.6
221.11699	3.8
223.13306	6.2
237.11346	3.0
237.14670	2.4
247.13239	4.8
249.11429	2.8
263.12872	4.7
265.14404	33.3
266.14716	2.8
266.92661	3.2
277.18057	3.4
279.16147	3.2
303.16043	14.0
321.03900	2.1
321.07745	2.3
321.17126	46.5
321.20703	4.7
322.17474	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
56.34913	0.6
58.00467	1.8
59.01252	47.9
60.57568	0.7
70.78905	1.5
71.01255	20.6
72.99185	0.9
73.02818	1.9
83.01279	1.4
84.20883	0.7
85.02832	5.0
87.00744	1.9
89.02320	18.3
95.01257	1.8
98.33435	0.6
99.00790	0.7
101.02328	14.6
111.08018	0.9
113.02330	8.6
113.09610	29.5
119.03390	8.1
127.11221	0.7
141.09137	6.3
141.10123	1.0
141.27802	0.6
143.03418	0.8
143.10678	2.0
155.10651	2.6
159.10179	69.7
160.10522	1.5
180.68341	0.6
191.06932	0.6
201.11201	2.0
272.72675	0.6
321.15540	100.0
322.15817	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03307	1.0
58.00455	2.3
59.01246	58.5
69.03313	0.8
69.45673	6.4
71.01248	21.7
72.99184	2.4
73.02814	1.5
74.26366	0.7
83.01241	1.9
85.02826	7.1
87.00755	1.7
89.02314	19.4
95.01252	1.7
96.95879	1.8
99.51087	0.8
101.02320	14.3
111.07970	1.0
113.02319	7.7
113.08804	1.4
113.09605	29.4
117.44524	0.7
119.03367	7.1
127.11119	0.9
141.09105	5.8
143.10681	2.3
155.10654	2.1
159.10170	66.9
160.10515	1.4
161.04405	1.2
201.11234	1.9
270.20428	0.9
321.15506	100.0
322.15881	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74266	0.7
59.01249	100.0
60.01600	0.7
69.03331	0.9
69.44805	6.2
71.01262	2.4
73.02839	0.7
79.91235	0.7
82.80607	0.6
85.02840	1.0
87.00750	8.8
88.94868	0.9
89.02373	0.7
91.92110	0.8
96.95870	1.3
98.19792	1.0
101.02310	1.8
108.94168	0.7
113.02332	1.4
123.90158	0.7
161.04530	1.0
188.03444	0.7
261.13486	1.4
293.14005	1.1
309.80124	0.6
321.13428	6.4
322.13773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01592	0.8
65.61945	0.3
66.76942	0.2
67.42791	0.3
71.01254	2.9
85.02854	0.4
89.02309	4.0
96.95876	1.7
101.02348	1.3
113.02354	1.2
114.78055	0.3
119.03397	2.2
130.24843	0.3
145.02933	0.3
161.04549	0.4
179.05602	0.4
205.87868	0.3
293.11304	0.3
337.46313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.50602	7.9
71.01258	3.4
78.95765	1.0
85.02849	1.6
89.02316	3.4
96.95869	5.7
101.02307	2.5
119.03387	2.3
119.64754	0.9
122.05993	2.1
124.03899	1.0
125.02323	1.0
136.07574	4.3
153.28790	1.0
184.06113	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.76401	6.3
71.01247	3.2
85.02821	1.8
88.57371	0.8
89.02332	3.1
96.95876	1.5
98.20566	1.8
101.02309	2.3
101.66654	1.0
113.02350	2.5
118.91112	0.9
119.03344	1.5
159.10199	2.0
236.37430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25332	1.7
57.03304	2.5
58.00451	3.7
59.01251	96.7
65.49204	1.5
69.35468	16.7
71.01252	57.1
72.99177	7.1
73.02831	2.0
78.92889	1.4
80.96393	1.8
82.94916	1.8
83.01257	3.8
85.02824	12.5
87.00764	3.7
89.02316	54.0
90.76724	1.8
95.01263	4.5
96.95865	2.2
98.19759	3.3
101.02332	44.7
102.02639	1.6
111.82902	1.6
113.02322	20.3
113.09631	1.9
119.03388	25.4
119.54562	1.7
120.98495	1.6
141.09132	18.1
149.04478	2.2
159.10184	6.6
179.05577	3.1
321.15549	100.0
322.15942	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2273
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01237	1.0
68.73895	0.3
69.03325	12.4
70.90402	0.7
70.90760	0.6
71.04891	1.7
71.81357	0.3
89.15939	0.3
118.65349	0.3
125.09657	0.3
165.12756	0.7
167.10689	0.3
193.03545	0.3
275.23798	1.9
299.68906	0.3
301.21799	0.4
319.22748	100.0
320.23080	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	321.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.0
59.01250	21.9
67.40465	1.0
67.47139	0.9
71.01246	2.5
71.57188	1.6
73.02827	1.3
76.57838	1.0
80.86558	0.9
85.02804	1.5
89.66053	1.0
92.79471	1.0
95.04921	2.2
96.95891	100.0
98.95561	1.4
99.30828	1.1
118.45024	1.2
123.08070	7.9
149.09657	3.4
159.35902	1.1
163.07626	1.1
179.10765	1.6
223.09711	1.7
241.10793	9.9
297.09698	1.1
321.06491	42.1
321.14484	1.9
322.06821	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	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.54274	1.0
57.69284	1.0
58.00463	2.8
59.01250	66.1
60.01603	1.2
70.71559	3.8
71.01254	39.0
72.99170	3.8
73.02818	2.0
83.01263	1.5
85.02829	9.2
87.00735	2.5
89.02316	35.9
95.01254	4.0
96.95892	8.1
97.80235	1.2
101.02322	27.7
110.43692	1.0
113.02327	16.6
119.03381	14.6
120.64484	1.1
131.03378	1.4
139.07538	18.8
141.26953	1.2
157.08597	3.2
161.04474	1.1
187.10486	1.2
212.75827	1.1
221.46640	1.3
239.09152	2.2
261.38907	1.1
319.13962	100.0
320.14246	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06687	0.6
58.02845	8.7
59.01251	5.8
70.18301	1.1
70.18689	1.9
72.00780	5.6
72.99175	2.3
74.04073	0.6
82.06488	2.7
91.05393	8.2
91.82817	0.7
93.03354	0.7
96.95903	0.9
98.19838	0.8
99.01176	0.7
112.07546	3.2
118.06483	2.9
126.09151	1.9
129.10223	80.3
130.10487	1.6
134.38704	0.7
135.02872	2.3
135.04445	0.9
147.04407	28.4
153.10226	4.2
154.08640	11.3
164.07072	68.0
164.78117	0.7
165.07399	2.4
171.11293	61.2
172.11594	1.4
183.11316	0.9
192.00471	0.7
201.44463	0.6
207.02939	0.7
216.13818	0.8
233.16536	41.0
234.16820	1.3
275.17596	6.7
277.15570	3.1
319.16589	100.0
320.17023	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
57.03312	1.8
58.00467	1.0
59.01248	33.1
59.31662	0.5
69.51060	4.3
71.01255	21.2
72.99181	2.4
73.02813	2.6
73.52744	0.5
73.54551	0.5
75.00726	0.5
83.01237	1.6
84.02009	1.0
85.02831	4.9
87.00757	1.4
89.02319	14.4
95.01302	1.4
96.95893	0.9
97.02759	0.6
99.00768	0.7
101.02320	12.3
103.17567	0.5
111.08035	19.6
112.08355	1.0
113.02333	6.6
119.03397	6.2
131.03427	1.0
138.05498	1.4
139.07533	5.3
141.09154	0.8
153.09137	1.7
157.08604	67.1
158.08971	2.1
161.04413	0.8
183.44633	0.7
199.09705	2.4
231.06516	0.8
319.13968	100.0
320.14291	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01741	0.6
57.03312	1.8
58.00467	1.0
59.01248	33.1
59.31662	0.5
69.51060	4.3
71.01255	21.2
72.99181	2.4
73.02813	2.6
73.52744	0.5
73.54551	0.5
75.00726	0.5
83.01237	1.6
84.02009	1.0
85.02831	4.9
87.00757	1.4
89.02319	14.4
95.01302	1.4
96.95893	0.9
97.02759	0.6
99.00768	0.7
101.02320	12.3
103.17567	0.5
111.08035	19.6
112.08355	1.0
113.02333	6.6
119.03397	6.2
131.03427	1.0
138.05498	1.4
139.07533	5.3
141.09154	0.8
153.09137	1.7
157.08604	67.1
158.08971	2.1
161.04413	0.8
183.44633	0.7
199.09705	2.4
231.06516	0.8
319.13968	100.0
320.14291	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	319.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	5.8
58.70961	1.6
59.01222	3.9
69.85127	1.7
70.07649	8.8
74.09407	1.7
83.04884	4.3
90.19410	1.6
111.04408	17.9
118.62872	1.8
136.10100	1.5
163.07564	4.7
165.19560	1.8
171.11624	2.1
173.13266	15.6
175.07585	6.0
187.11189	1.7
189.12701	2.2
190.69136	2.0
199.11235	3.6
217.12270	100.0
218.12599	4.0
230.46902	1.9
241.08565	1.6
261.11301	34.9
262.11597	2.7
271.16245	1.9
275.08304	12.6
283.09564	5.1
318.13428	2.1
319.07162	65.3
319.13168	3.3
320.07458	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	318.1338
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
57.03308	2.9
58.02847	16.8
59.01227	2.2
60.99167	3.7
69.03305	1.9
71.01237	2.1
79.05418	2.4
79.95601	1.9
80.04925	38.4
83.04887	2.5
87.00735	5.8
96.95870	4.3
110.02328	1.8
111.04342	2.3
119.08523	3.9
123.04352	2.6
126.01855	5.4
132.08035	3.6
137.02347	1.9
145.10103	2.2
169.34901	1.6
171.11583	2.5
187.11206	1.6
189.12727	2.1
191.10762	2.3
212.14334	7.9
215.10663	4.7
217.12215	6.7
228.13931	1.8
230.15405	6.5
231.10103	2.3
233.11847	2.4
244.13400	3.6
247.13539	2.8
252.53304	1.6
256.13361	12.9
259.09763	2.1
261.11407	4.3
263.30402	1.5
274.14453	39.7
275.14880	3.5
277.10635	2.2
288.12473	9.0
318.10156	3.9
318.13419	100.0
319.11667	7.2
319.14069	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	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.98158	0.1
61.36772	0.2
69.63177	1.2
79.16750	0.2
84.59583	0.2
85.00017	0.2
92.92558	0.2
226.84494	0.2
300.76208	0.2
317.21179	100.0
318.21521	9.7
318.25250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1341
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
52.38340	0.4
57.03313	2.2
58.02847	53.0
59.01238	1.4
60.99160	1.8
62.81369	0.5
66.03340	1.2
69.03320	0.5
69.25551	5.4
71.01263	1.3
74.96038	0.5
79.05398	0.6
80.04926	23.7
81.05257	0.6
82.02858	1.0
83.04885	1.5
84.04430	0.7
85.02805	0.5
87.00745	5.6
91.39159	0.5
92.04921	0.8
95.04829	0.4
97.02802	0.8
97.93181	0.5
98.02361	2.2
104.04902	0.6
105.06945	0.5
106.06519	1.2
107.36074	0.5
109.06465	0.7
110.02363	0.8
111.04391	6.5
118.36193	0.5
119.08534	1.5
120.08086	1.0
121.02835	0.5
121.06482	0.6
123.04366	1.0
124.03914	0.6
126.01855	5.2
131.08560	0.4
132.08087	2.2
134.06024	0.5
135.08028	1.3
145.10126	0.7
148.05241	0.4
151.07678	0.5
159.08063	0.7
159.11674	0.7
161.06017	0.5
161.09596	0.8
163.07581	2.4
164.07014	0.6
169.10130	1.4
171.08009	0.6
171.11731	3.2
173.13271	5.6
175.07497	2.0
175.11232	1.1
176.07068	0.7
185.09613	1.1
186.12740	0.5
187.11237	2.4
188.10904	0.6
189.09039	0.8
189.12756	1.8
190.08673	0.7
191.10745	0.8
199.11153	1.0
200.14397	1.1
202.12210	0.9
203.10616	0.7
210.12749	1.0
212.10991	0.7
212.14384	7.2
213.09055	0.5
215.10719	13.0
216.10703	0.5
217.12279	33.3
228.13858	1.2
229.12305	0.5
230.11829	0.8
230.15457	5.1
231.10249	0.8
231.13750	1.0
232.13306	2.3
233.11766	1.8
244.13373	3.9
245.11774	1.1
246.11357	0.7
247.13370	2.5
256.13400	10.6
259.09631	0.8
261.11282	15.1
272.12857	0.9
274.14453	39.7
275.08267	2.7
275.15036	2.9
276.12323	0.7
277.10861	2.6
283.09485	1.0
288.12476	4.5
318.13419	100.0
319.07181	21.0
319.13657	8.0
325.25433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1969
Annotation	oscr#16
Peak:m/z	Relative Intensity
57.03314	1.4
57.97594	0.3
59.01251	100.0
60.01595	0.6
66.92033	0.4
69.03340	0.8
70.98773	0.9
71.01216	0.4
71.04897	2.9
73.06445	0.4
78.25556	0.3
79.95615	0.7
80.95937	0.4
80.96397	1.6
81.03336	0.7
83.04899	6.5
85.02808	2.0
94.97977	0.4
95.04899	3.0
96.95895	5.6
99.04421	0.6
99.08024	4.4
101.05964	8.5
102.06356	0.3
103.56920	0.3
104.31915	0.4
107.04948	0.4
109.06475	10.8
111.08089	0.5
112.39751	0.3
113.05970	1.3
113.09607	0.4
121.06520	0.8
129.09097	0.8
135.04451	0.4
135.08090	0.4
137.09612	6.3
139.07556	3.9
149.02382	0.3
155.10695	3.2
157.08577	0.7
161.02336	0.5
165.12753	0.9
183.13914	0.6
191.05618	0.5
208.50908	0.4
218.20451	0.3
221.15297	0.4
257.17578	1.2
299.18680	4.1
317.05557	1.7
317.19684	64.1
318.20007	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	317.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96827	0.3
57.03321	0.3
59.01247	0.6
63.96107	0.8
67.84490	0.3
69.03338	0.4
69.72646	0.7
69.73058	1.0
70.82973	0.3
71.01261	5.9
71.17632	0.3
72.74390	0.3
73.02814	1.5
75.16077	0.3
78.98461	4.9
79.95609	7.1
80.96394	55.9
81.03341	0.4
83.01236	0.5
85.02833	1.8
86.16090	0.3
86.78489	0.3
87.00753	1.9
94.97962	11.8
95.01289	0.3
96.95885	1.7
97.02819	1.1
98.20502	0.7
99.00755	0.5
101.02322	1.8
106.97992	2.5
109.02840	0.9
116.21418	0.3
120.99573	0.4
122.97481	2.6
125.02343	1.7
127.03900	0.6
134.97499	3.4
136.99033	1.0
146.97334	0.3
148.99048	4.6
151.03932	0.4
152.97394	0.4
152.98541	4.8
164.98549	8.6
167.00070	0.4
206.99649	1.9
225.00700	12.5
282.22028	0.4
301.05017	0.3
306.51309	0.3
317.05450	100.0
318.05801	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84105	0.9
55.59270	0.9
59.01239	3.8
64.95948	0.9
70.92255	1.9
70.92599	1.5
87.92403	1.7
92.91862	9.1
95.45573	1.0
95.95074	0.9
96.95893	1.1
103.91885	2.8
108.91361	2.8
113.55188	1.0
122.89323	8.1
123.94512	1.5
127.07526	1.9
133.02831	2.6
148.90895	6.2
181.12279	9.0
215.08792	0.9
217.98225	0.9
218.98709	2.5
249.11092	1.9
258.70157	0.9
269.00327	1.2
271.01880	6.7
273.03479	95.5
274.03760	5.6
287.01270	1.4
299.01349	2.8
317.02448	100.0
317.14136	6.1
317.17499	1.9
317.21146	2.5
318.02789	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	317.0301
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03299	3.1
58.42952	1.9
59.01247	4.6
61.39090	1.9
63.02259	5.5
63.26328	2.2
65.00182	18.7
67.01760	3.4
70.97709	2.8
70.98046	5.3
78.95753	2.8
79.47369	2.1
80.96344	5.2
81.03307	4.1
83.01263	13.2
85.99583	2.2
93.03315	2.5
95.01237	9.2
96.95882	23.2
97.02791	2.9
107.01269	19.3
109.02153	3.2
109.02834	45.4
110.03098	2.2
111.00000	2.9
111.00744	15.0
119.01238	3.9
121.02830	3.9
123.00714	7.4
124.01510	4.6
125.01579	2.5
125.02345	32.9
133.02846	24.2
135.00722	7.7
135.04417	5.6
135.45418	2.3
137.02348	12.0
139.00244	19.6
143.04938	2.5
145.02846	3.3
147.00722	2.3
149.02280	4.8
150.99141	2.9
151.00270	46.0
151.03865	3.6
152.00977	8.9
153.01839	21.4
159.04372	5.2
161.02312	8.7
163.00278	36.3
164.00970	5.8
165.01857	18.6
166.99667	3.5
171.04350	3.5
175.03868	8.0
177.01871	16.1
178.99771	14.7
181.01314	34.2
183.04384	3.3
185.02342	4.1
187.03926	4.0
189.05563	3.1
190.99756	18.9
191.03378	8.6
192.00540	3.1
193.01210	10.2
199.03867	10.5
199.05560	2.4
201.01770	3.3
201.05470	5.4
203.03366	11.2
205.04932	3.1
206.99240	11.6
207.02975	3.4
207.99915	5.3
211.03967	4.7
215.03290	5.0
217.04984	12.6
219.02888	4.4
225.46014	3.0
227.03477	14.8
229.04964	4.8
230.02089	3.1
231.02844	15.5
243.02864	9.6
245.04503	39.9
255.02966	14.8
256.03577	7.2
258.01575	2.8
271.02475	27.9
273.04144	13.0
284.03183	18.1
289.03329	8.3
299.01886	27.9
300.02362	5.6
317.02850	100.0
318.03189	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	315.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.7
59.01245	1.3
68.44233	0.2
71.20599	0.4
71.20921	0.5
78.95778	0.5
84.08084	0.2
92.88378	0.2
113.09612	4.5
141.09140	0.5
143.10692	1.8
144.96640	0.2
155.14307	2.4
171.13779	1.1
178.80826	0.3
183.13869	0.8
185.15332	0.3
199.13330	2.2
211.13326	0.4
229.14449	1.2
232.97519	0.7
239.23788	0.3
251.23691	0.4
253.25430	0.3
279.23279	2.1
295.22794	1.0
297.24332	10.8
298.24686	0.6
311.22278	0.2
313.23819	5.2
314.24286	0.3
315.25375	100.0
316.25726	7.8
336.34131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2536
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.83135	0.4
55.02060	0.5
58.00456	1.1
59.01246	6.5
69.48464	4.1
86.79443	0.4
88.58176	0.5
95.04887	2.1
119.24144	0.4
125.09592	0.9
127.11169	3.2
141.12733	5.3
143.10667	1.2
152.01004	0.5
153.05484	1.0
155.10686	0.7
157.12270	0.6
171.10196	2.3
171.13788	1.4
182.00273	0.6
182.02180	0.5
188.98422	0.6
201.11234	1.3
221.25316	0.5
232.97586	3.1
278.11435	1.1
279.23270	1.8
295.22757	0.7
297.24329	8.5
298.24664	0.6
313.23792	6.2
314.23993	0.5
315.25360	100.0
316.25674	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03327	1.7
58.00456	0.2
59.01244	1.1
70.61113	0.4
70.73138	0.2
71.04892	0.2
78.95770	0.3
83.04881	0.2
85.02824	0.4
87.04389	2.5
88.00900	0.2
93.69706	0.2
100.74276	0.2
113.43759	0.2
127.58864	0.1
209.19026	0.4
211.20653	1.1
227.20201	0.4
232.97537	0.7
237.18523	0.2
239.20123	0.5
239.23756	0.3
255.19643	1.2
262.85010	0.2
269.24878	0.5
279.23309	1.3
285.20615	0.4
287.07239	0.2
295.22784	0.9
297.24356	9.9
298.24658	0.7
313.23856	5.0
314.24207	0.4
315.25385	100.0
316.25751	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0508
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.62145	0.3
59.01252	1.4
61.14761	0.3
63.02221	0.6
65.00188	3.1
71.57749	0.5
83.01220	1.3
96.95895	2.0
107.01251	4.0
107.08989	0.3
111.00768	0.4
124.01517	2.6
132.01936	0.3
133.02766	0.4
134.03606	0.4
136.98677	0.8
148.01558	5.5
149.02348	1.5
149.99472	1.0
151.00266	8.5
152.01068	2.3
161.02396	0.4
164.00987	0.9
174.03075	0.6
177.01874	1.8
183.04405	0.3
187.03912	0.5
199.03932	1.0
200.04607	0.3
201.01886	0.7
206.02168	0.4
213.14568	0.3
214.02740	0.3
215.03484	2.0
216.04234	2.1
227.03357	1.8
228.04335	0.3
232.97423	0.5
237.14972	0.3
243.02945	4.0
244.03517	0.6
255.02818	0.5
256.03659	0.3
271.02457	4.4
272.03091	1.2
283.02478	0.6
294.29068	0.3
299.01926	3.3
300.02719	100.0
301.03067	6.8
315.05075	56.6
315.12613	0.5
316.05359	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
68.53506	5.8
71.57326	7.7
73.64604	5.4
101.28682	5.5
109.02842	14.7
123.04397	54.4
153.01839	11.1
153.05476	100.0
164.99431	6.0
194.68341	6.0
227.36313	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	315.051
Annotation	6a,7-Dihydroxymaackiain
Peak:m/z	Relative Intensity
57.79092	0.5
58.46220	0.6
59.01241	0.7
63.02262	1.6
65.00197	5.5
70.16230	1.9
71.44929	0.5
79.01773	0.8
81.95588	0.5
83.01269	1.1
91.01720	0.6
95.01260	3.4
104.99506	0.5
107.01266	3.0
108.02052	2.2
109.02885	0.9
109.99966	1.1
121.02827	1.7
123.00762	3.4
123.04411	1.3
124.01598	0.8
132.02046	2.7
133.02829	3.3
134.03644	3.0
136.01556	0.7
136.98712	7.0
137.02327	3.7
147.00784	1.1
147.04439	1.8
148.01564	1.6
149.99579	0.6
151.00272	4.6
151.03922	0.7
159.04379	0.7
161.02451	0.8
163.00290	2.3
163.03877	0.7
164.01074	1.3
165.01842	11.7
165.98999	0.9
169.01332	0.6
171.04410	0.7
172.05196	1.3
174.03027	0.9
176.01045	0.9
183.04471	1.5
184.05095	0.6
185.14220	0.6
186.03070	0.6
187.03922	1.4
188.04739	2.0
191.03505	0.8
192.00587	3.1
195.04425	0.7
197.11749	0.8
199.03925	2.3
200.04752	1.8
201.01807	2.6
202.02673	1.5
211.03978	3.0
212.04677	3.9
213.01859	0.9
214.02718	1.1
215.03438	1.4
216.04193	2.2
217.04791	0.6
226.02602	0.8
227.03468	4.3
228.04192	3.4
239.03366	0.8
243.02946	2.3
243.06587	1.1
244.03671	0.8
252.63448	0.6
254.02155	1.0
255.03009	9.3
256.03705	7.6
257.04352	1.1
259.06027	0.6
269.04315	0.6
271.02652	3.3
271.06027	6.5
272.03299	6.4
282.01620	1.3
283.02478	5.5
284.03259	40.4
285.03912	8.1
286.04630	0.8
287.05585	3.9
288.05801	0.7
297.03976	3.5
298.04691	1.7
299.01834	1.1
300.02734	54.1
301.03061	4.1
315.05093	100.0
315.21732	4.8
316.05457	6.9
332.56729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36429	0.4
58.00459	2.9
59.01253	3.8
70.68620	0.8
70.68980	1.0
71.01260	1.1
72.99162	0.7
74.24067	0.4
89.02314	0.7
92.63615	0.4
97.06478	1.1
99.08031	20.1
102.17133	0.4
107.09718	0.4
111.08032	1.1
121.02790	0.5
125.42416	0.5
127.07540	3.1
129.09100	20.7
130.09497	0.6
133.25421	0.5
151.03935	0.5
170.88226	0.7
170.90997	0.5
183.13818	38.1
184.14117	2.1
195.13779	4.4
212.67836	0.4
230.98062	0.8
241.20047	0.5
253.09256	0.5
254.85738	0.8
277.21725	3.2
295.22772	8.8
296.22937	0.8
311.21954	0.6
313.23822	100.0
313.62079	0.5
314.24133	8.4
315.82404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
58.00462	1.3
59.01253	3.0
65.78658	0.5
71.01242	0.9
71.37051	0.5
72.99139	0.7
83.50277	0.5
95.72357	0.5
102.41964	0.6
108.86700	0.5
118.28655	0.6
125.09634	6.1
127.11180	10.2
127.54103	0.6
137.09615	1.6
139.11186	1.5
155.10677	3.5
157.12263	0.9
165.09187	2.8
171.10158	9.0
183.10213	1.4
199.09637	3.1
201.11252	53.1
202.11562	2.0
205.05420	0.6
252.34874	0.6
277.21661	5.2
295.22818	5.0
311.72638	0.6
313.23828	100.0
314.13864	0.5
314.24191	7.6
337.89462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37339	0.6
59.01245	1.2
63.65731	0.5
71.06799	1.0
83.04897	0.6
95.04907	1.0
97.06463	8.7
99.08032	3.8
111.08020	0.5
124.70807	0.6
125.06001	3.5
127.07637	0.7
137.05957	1.3
137.21786	0.6
143.07039	27.9
144.07384	0.8
155.07043	1.9
167.14380	1.1
169.15912	5.8
173.08069	2.3
241.73596	0.6
249.22241	0.8
251.23619	0.8
277.21744	7.7
295.22830	7.3
313.23840	100.0
314.24185	11.0
321.65732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03327	2.6
58.00460	0.5
59.01240	2.3
70.64847	1.4
71.01261	1.0
71.65937	0.5
73.58238	0.4
89.02298	0.6
95.04856	0.6
98.19718	0.4
103.91903	0.5
111.08045	2.6
112.68158	0.4
113.09594	2.4
122.89285	1.1
125.09595	0.7
127.11160	1.2
139.07529	0.9
141.09128	5.9
141.12741	2.4
153.09132	2.6
153.12715	1.8
155.14331	7.0
157.08607	27.0
158.08914	0.9
171.10194	4.5
171.13812	1.4
187.09700	3.9
277.21686	5.8
295.22791	7.9
296.23071	0.7
311.22150	1.1
313.23834	100.0
314.24149	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.38339	0.3
57.03318	0.3
59.01246	2.6
61.53374	0.3
62.88047	0.3
67.64041	0.3
70.09946	0.6
70.10359	1.1
71.01234	0.5
72.99188	0.5
77.52240	0.3
79.44115	0.3
84.52591	0.3
101.02338	0.6
111.29591	0.3
113.02261	0.3
115.03897	0.3
121.02832	0.9
125.09631	0.7
127.11159	1.2
129.46837	0.3
139.11159	1.4
141.12718	0.5
153.09169	0.5
155.10698	3.5
157.12204	0.4
171.10167	5.5
174.08374	0.4
175.08560	0.4
184.35356	0.3
188.96977	0.4
201.11230	0.9
205.08580	0.5
207.09967	2.3
230.98062	0.7
245.19022	0.8
254.85597	0.4
267.23099	0.6
277.21829	0.6
295.22766	7.4
296.23138	0.6
311.22342	0.9
313.17838	3.7
313.23825	100.0
314.24167	7.8
330.57990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01236	1.7
66.06161	0.3
69.03332	0.4
69.84297	2.2
71.01250	0.8
78.01136	0.4
89.02315	0.6
93.03351	1.9
93.06987	0.9
96.66427	0.4
98.20521	0.6
101.02345	0.4
107.02066	0.3
113.05976	0.4
119.08569	0.9
121.02837	0.5
121.06508	0.5
121.10117	7.9
123.08096	0.5
127.48118	0.4
133.06473	0.4
139.11140	1.5
147.08025	1.8
161.09573	0.6
165.12854	0.5
175.07338	1.1
175.11201	0.6
179.10432	0.5
184.01474	0.7
185.00693	1.3
191.06758	0.8
193.08348	0.9
202.13736	0.4
205.08278	0.5
207.09967	7.9
209.07898	1.4
215.14365	0.4
217.15871	2.5
225.16406	0.8
227.17992	2.2
233.11508	0.6
243.10124	0.5
243.17410	2.2
245.19064	22.3
246.19496	2.0
270.12329	0.4
283.13248	1.0
293.15137	0.9
295.16782	2.0
298.15390	0.9
311.16293	2.3
313.17841	100.0
313.23834	3.0
314.18231	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	313.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	27.4
68.10471	3.7
71.01241	9.2
71.58848	5.5
72.99166	4.4
73.02807	15.8
96.95903	4.3
99.00750	74.9
105.14218	3.5
107.12770	3.7
117.01791	19.4
119.03399	5.2
121.02864	5.7
132.98001	4.0
145.54932	3.4
151.03877	3.9
183.13840	8.0
188.97018	4.3
195.13829	9.4
199.94650	4.2
213.14906	100.0
213.16986	5.2
230.98109	5.1
231.97833	4.9
232.25824	5.1
232.89514	3.6
254.85771	4.4
313.11340	4.7
313.17337	4.6
313.23712	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	313.093
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01763	0.8
57.03325	0.6
59.01251	1.7
69.38582	0.5
70.21074	1.0
70.21472	1.2
71.01254	14.4
71.09440	0.5
73.02827	4.5
83.01268	1.7
85.02828	7.4
87.00748	0.9
89.02328	1.2
92.88032	0.5
95.01250	0.9
96.95864	2.6
99.00751	1.8
101.02329	7.3
107.04910	100.0
108.05253	2.8
113.02335	5.9
137.79228	0.5
142.06120	0.5
143.03503	0.6
151.03929	8.7
154.01949	0.5
159.02913	2.1
161.04456	7.1
167.02464	0.5
193.16963	0.5
216.84564	0.5
313.09329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	3.1
59.01241	9.2
62.22403	1.8
71.01231	4.4
87.42366	1.9
89.71333	1.9
93.03340	3.0
93.13649	1.8
96.95889	3.1
98.20663	4.1
101.02315	3.6
106.04122	14.3
107.04901	8.5
108.02054	3.9
113.02342	2.7
117.13955	1.8
119.04913	8.2
123.04418	6.8
131.04958	4.2
133.02850	38.2
138.03099	2.9
147.04420	7.6
151.03908	30.6
161.06010	6.5
165.05486	42.7
175.03908	100.0
176.04295	5.9
188.22839	1.8
193.04971	59.2
194.05534	2.4
196.21851	2.0
205.05042	14.1
223.06006	5.8
313.07626	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.59729	2.6
58.00482	2.8
59.01234	9.2
64.23775	2.3
67.36595	2.5
71.01234	5.5
71.13536	7.2
93.03306	4.7
106.04127	14.2
107.04949	13.7
108.02074	5.0
119.04906	8.3
121.02825	4.0
123.04385	10.6
131.05014	2.8
133.02861	46.1
134.03241	2.7
147.04407	11.0
151.03932	24.8
161.05986	4.1
163.03960	3.8
165.05499	56.5
175.03935	100.0
176.04199	5.1
188.96558	2.8
193.05017	61.7
205.04977	11.6
223.06046	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	313.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	10.1
61.47353	1.4
71.01237	2.7
74.30730	1.3
74.98949	17.1
75.96084	2.2
85.02858	1.8
89.02290	1.7
91.02080	100.0
92.02045	2.1
93.00008	30.5
121.02829	1.8
150.26700	1.5
225.16945	1.7
229.35524	2.3
230.98053	3.3
297.04514	2.1
305.80237	1.4
313.11090	1.7
313.23920	7.6
313.27258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.0
59.00987	0.7
59.01252	8.0
69.03316	1.0
71.01245	1.2
71.04884	2.3
71.29465	1.1
83.04887	1.5
89.71091	0.5
93.06957	0.7
96.95885	0.8
111.08044	1.4
113.09586	1.8
127.11123	1.2
139.07532	0.8
139.90573	0.6
149.00801	0.6
157.08603	54.2
158.08965	2.3
168.91400	1.2
171.10159	1.3
183.01219	0.9
191.17918	0.7
203.10233	0.6
211.13460	0.6
214.06284	1.8
231.21060	0.9
235.16997	14.4
251.11192	1.1
253.18015	3.8
275.20126	10.4
293.21216	30.7
294.21487	2.8
311.22269	100.0
312.22574	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80008	0.1
59.01256	0.4
68.05798	0.1
71.21423	0.2
71.21776	0.3
77.03857	0.2
78.12795	0.1
93.03381	0.2
121.02843	100.0
122.03166	3.1
179.05154	0.2
180.05682	1.1
181.06514	4.5
182.06848	0.2
201.11237	0.2
225.05522	7.2
226.05940	0.4
239.94067	0.2
269.08148	0.3
285.62042	0.1
311.80548	0.2
312.22546	0.5
313.07169	13.8
313.23645	0.9
314.07568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17746	0.5
51.57739	0.5
53.81460	0.6
54.53193	0.5
59.01248	2.7
69.87846	0.9
69.88261	2.2
71.01241	1.2
89.02290	0.8
93.03327	0.8
101.02252	0.8
109.02800	0.7
113.02349	0.6
121.02812	1.6
121.10156	0.7
130.86497	0.6
132.02068	0.9
137.02429	0.5
159.59311	0.6
161.91107	0.5
171.10167	0.9
197.41339	0.6
207.09955	1.3
212.34172	0.6
245.19003	3.2
255.02971	86.7
256.03357	5.2
269.04575	0.7
270.05319	7.3
283.02487	34.0
284.02905	1.8
294.21375	1.1
295.22665	0.7
297.04041	1.8
298.04816	100.0
299.05127	6.1
309.94678	0.6
312.22449	2.0
313.07190	73.4
313.17813	14.9
313.23608	7.4
314.07541	4.6
314.18149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12735	0.5
57.03325	1.8
59.01248	3.9
70.19811	1.1
70.20203	1.5
83.04894	0.6
83.77541	0.5
85.98148	0.5
87.83218	0.7
97.02818	0.7
97.06470	1.5
98.20503	0.6
98.80350	0.6
99.08012	1.6
106.07465	0.5
113.09597	1.0
123.08111	0.9
125.09605	3.1
127.11212	1.5
129.13069	0.5
134.94740	0.6
137.63426	0.6
139.11165	4.0
141.12735	1.1
143.10724	0.6
147.21188	0.6
152.99391	0.8
153.09091	1.2
155.10730	1.0
155.14334	0.7
157.08611	0.6
167.10661	1.5
171.10190	8.1
181.12292	0.7
183.01091	1.8
183.10254	0.7
183.13835	0.9
185.11774	0.8
193.12267	2.3
197.02686	2.1
199.09656	0.8
199.13300	2.1
200.10443	0.9
211.13341	2.3
219.93555	0.7
249.22171	1.1
265.93875	0.7
267.23193	1.0
275.20157	0.8
289.61456	0.7
289.75778	0.6
293.21255	11.8
294.21494	1.2
311.17123	9.1
311.22256	100.0
312.17093	0.9
312.22638	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75961	0.3
57.03316	1.5
59.01258	4.7
62.66758	0.4
67.28484	0.4
69.03321	0.6
69.88117	2.2
71.01250	0.8
83.04897	0.8
87.00759	0.5
96.95878	0.9
98.20446	0.6
111.08015	0.5
123.07989	0.5
127.11208	0.4
139.11205	0.5
149.00798	0.6
151.11165	1.1
153.12715	0.9
155.10707	0.7
157.12267	1.5
169.12241	2.4
169.15880	1.1
197.11786	2.3
203.10036	0.4
211.13361	0.6
213.14896	0.6
237.14908	1.3
251.11455	0.5
263.20160	1.3
275.20157	2.5
293.21213	6.7
296.88269	0.4
309.20816	0.8
311.22284	100.0
312.22623	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
59.01242	4.9
70.45598	2.8
70.45997	2.2
71.01238	1.4
83.04900	2.1
121.10119	1.1
125.09621	3.6
127.11214	3.5
127.87348	1.2
139.11200	13.2
151.11176	1.5
153.12773	1.7
155.10648	2.4
157.08646	7.8
170.94147	1.3
171.10181	52.2
172.10506	1.6
183.10226	5.1
185.11806	6.2
200.02745	1.5
201.11177	5.6
211.13225	1.6
223.60056	1.2
272.94489	1.3
275.20105	4.2
288.78378	1.3
293.21280	17.8
311.16638	3.1
311.22278	100.0
312.22635	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48941	0.7
57.03323	1.6
59.07178	0.5
64.78065	0.6
67.01753	0.7
70.28522	2.1
73.83520	0.6
85.06457	0.9
97.06470	1.5
113.09599	1.5
125.09614	5.8
125.86935	0.7
139.11188	4.1
141.12732	1.2
149.09622	2.2
157.67664	0.6
167.14278	1.1
171.10188	5.1
185.11751	7.4
197.11763	1.5
201.11238	2.0
211.13330	44.4
212.13687	1.9
213.22731	0.7
293.21198	100.0
294.21545	7.3
308.25049	0.7
311.22241	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99116	0.8
56.15985	0.6
57.03326	1.5
59.01238	2.3
59.07215	0.6
69.92959	2.3
69.93368	1.5
71.01305	0.8
71.04887	1.0
83.04884	0.8
97.06446	1.7
99.08044	1.2
113.09631	4.3
121.10088	1.9
125.09599	3.2
127.11159	2.1
139.11188	19.0
140.11472	0.7
153.09062	0.8
154.50330	0.6
155.10690	1.9
163.11197	2.0
165.12703	1.0
167.10652	1.5
171.10178	35.6
172.10406	1.7
182.13081	1.1
183.10167	0.8
185.11775	3.5
193.12253	0.8
195.13939	1.0
197.11864	1.0
201.11279	2.3
211.13280	2.8
217.98848	0.8
249.22124	2.6
275.20261	1.5
293.21222	47.6
294.21603	3.0
311.22272	100.0
312.22656	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47062	0.6
54.02898	0.6
57.03312	2.2
59.01242	2.2
61.14898	0.6
71.14095	1.6
83.64619	0.6
93.65445	0.7
99.08018	2.0
111.08011	1.0
112.84650	0.7
113.09601	2.6
121.10105	1.0
125.09586	3.2
127.11185	6.1
129.09126	3.9
136.54749	0.7
137.09569	1.4
139.11166	10.8
153.09148	1.0
155.10683	1.9
167.10713	0.8
169.12218	1.4
171.10170	55.9
172.10539	1.7
181.12270	2.2
183.10162	3.6
183.13838	1.2
185.11737	10.0
193.12244	0.9
197.11769	4.9
199.13316	1.8
201.11235	9.7
211.13316	10.2
213.11281	0.8
240.79489	0.7
275.20145	4.2
293.21210	18.9
294.21585	1.5
311.22256	100.0
312.22552	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15534	1.1
50.55375	1.1
53.81764	1.0
57.03322	1.7
59.01246	3.2
63.11855	1.0
71.21133	2.1
73.00863	1.2
77.03683	1.2
83.04968	1.1
99.08038	2.2
111.08047	1.2
113.09616	2.4
117.87858	1.0
120.78223	1.0
121.10078	2.1
121.26555	1.0
121.68736	1.0
125.09628	2.7
127.11147	3.5
129.09142	4.1
139.11166	8.7
155.10741	1.7
167.10663	2.0
169.12250	2.2
169.65546	1.1
171.10176	36.6
181.12257	3.1
183.10165	2.3
183.13794	2.3
185.11815	6.8
193.12262	3.9
197.11795	6.5
199.13307	3.3
201.11247	4.7
211.13307	13.0
211.15106	1.2
237.57796	1.1
249.22183	1.8
275.20148	3.0
293.21234	28.2
294.21429	2.4
311.22278	100.0
312.22632	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30551	0.6
52.97766	0.7
56.90046	0.7
57.03302	1.1
58.00470	5.4
60.56015	0.6
63.04989	0.6
63.98207	0.6
68.98685	0.7
69.47652	0.5
69.47956	5.7
73.02813	1.7
74.66737	0.7
104.26746	0.6
106.77879	0.7
109.06438	1.1
121.10089	1.0
125.09619	3.9
127.07530	3.3
127.11175	7.6
137.09595	1.3
139.11206	1.5
155.10667	3.4
165.09140	4.1
171.10178	9.2
183.10149	1.2
183.13802	11.2
199.09668	3.1
201.11250	68.8
202.11594	2.9
213.14890	3.3
223.13228	1.2
241.14339	3.4
275.20163	6.0
293.21173	6.7
311.22247	100.0
312.22595	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
59.01237	2.1
59.78257	0.6
67.72539	0.6
69.03290	0.8
70.28352	1.2
70.28745	1.7
83.04896	1.2
97.02838	1.6
97.06445	1.6
99.08011	2.4
111.08023	0.8
113.09591	2.8
121.10111	2.2
121.87471	0.6
123.08054	0.7
125.09587	1.9
127.11169	2.6
129.09036	0.9
139.11182	8.8
143.07040	1.7
151.11122	0.9
155.10616	1.4
163.11176	0.9
165.12746	1.0
167.10614	0.9
171.10168	30.4
172.10468	1.3
173.08069	1.4
175.11147	1.0
181.12218	0.9
183.10167	1.0
183.13800	0.7
185.11690	4.0
193.12254	13.8
197.11746	0.9
199.13374	0.9
201.11314	2.9
211.13338	8.7
262.83493	0.7
275.20102	2.2
293.21237	21.7
294.21713	1.7
311.22253	100.0
312.22610	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	311.2227
Annotation	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
Peak:m/z	Relative Intensity
56.63219	0.5
59.01247	4.3
67.26624	0.5
69.03315	0.5
70.33698	1.0
70.34071	1.2
97.06459	13.2
135.33356	0.7
150.73920	0.6
155.10727	0.6
177.12781	0.7
179.26488	0.6
183.12349	1.1
183.13820	12.2
183.15385	1.1
184.14101	0.9
193.12119	0.9
195.13828	51.2
196.14229	2.7
211.13330	26.6
211.15402	0.9
212.13641	1.4
213.14880	25.0
214.15240	1.5
263.20117	16.2
264.20490	1.5
275.20172	1.1
277.69464	0.5
281.21152	4.6
293.21222	2.4
311.22250	100.0
312.22595	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01249	3.3
63.63125	0.5
67.21465	0.5
69.03349	0.6
69.94025	1.4
69.94436	1.2
71.04894	1.2
77.40055	0.5
81.03351	0.4
83.04919	1.6
97.06467	0.9
98.20455	0.8
111.08055	1.6
113.09639	0.6
123.08066	1.3
125.09570	0.7
135.11659	0.7
139.11201	2.0
141.12770	1.2
143.96507	0.5
145.58362	0.5
149.09631	2.1
151.11171	5.4
153.12767	2.2
157.08630	4.1
165.12668	0.5
168.11458	0.8
169.12308	2.1
171.10213	0.6
175.28865	0.5
177.12733	1.3
179.14334	1.1
181.12173	0.6
181.15947	1.0
185.11781	0.7
191.10988	0.5
195.10161	3.3
213.11287	1.8
244.81764	0.6
249.22157	3.6
275.20181	1.3
293.21216	100.0
294.21548	7.8
311.22260	83.1
312.22604	6.6
321.63440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30444	0.5
50.59263	0.6
57.03327	6.6
58.00463	0.7
59.01244	1.3
59.04885	0.7
71.04884	0.7
71.39619	0.5
75.54353	0.5
80.04584	0.6
85.02805	2.4
87.04385	16.7
98.20660	1.1
157.12759	0.6
157.56421	0.6
173.08163	0.6
182.05698	0.6
223.16974	42.9
224.17352	2.4
235.17007	4.0
253.18027	1.0
275.20111	4.5
291.19366	0.8
293.21207	11.1
294.21429	0.6
309.20663	1.2
311.22256	100.0
312.22614	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	311.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
70.57317	0.2
71.22134	0.6
79.01289	0.2
79.95583	1.1
84.55468	0.2
85.02797	0.2
98.31171	0.2
98.95462	1.2
102.01438	0.2
109.10194	0.2
118.32906	0.2
119.04886	1.2
159.58859	0.2
170.00340	1.7
183.01138	53.0
184.01642	2.1
197.02719	1.5
198.03363	0.2
211.04308	0.3
212.04704	0.3
216.00906	1.3
225.05901	0.6
230.02705	0.3
231.36612	0.3
239.07445	0.8
247.20657	0.5
291.06723	0.2
293.21240	0.5
311.16864	100.0
312.17224	6.6
312.20847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10066	0.6
57.03331	0.7
59.01251	100.0
60.01588	1.1
62.58147	0.6
70.09762	1.0
70.10158	1.8
71.01254	5.3
72.99191	2.0
73.02834	1.8
79.95641	1.2
83.01264	1.1
85.02824	3.1
87.00752	0.7
89.02325	1.1
96.95884	6.8
98.19904	0.8
99.00757	0.9
101.02332	4.0
102.99614	0.6
109.02828	2.9
113.02332	1.4
124.53295	0.5
134.03610	3.8
135.04478	3.2
136.01569	2.2
137.02379	1.2
149.00832	2.7
151.03891	3.2
161.04520	2.0
179.03464	2.1
182.89424	0.7
213.09227	0.9
218.69547	0.6
223.13440	0.7
231.10339	1.2
240.03275	0.6
269.10370	2.0
287.04907	0.7
293.10443	1.2
311.06021	1.6
311.11453	1.6
332.80447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Hydroxycoriatin
Peak:m/z	Relative Intensity
57.03321	10.4
58.00472	8.2
59.01229	9.7
59.98387	5.2
72.99168	3.7
73.02785	2.6
77.41959	2.3
83.04908	13.0
84.61253	2.9
84.92056	2.4
85.02851	2.8
87.00738	4.7
95.04913	5.4
96.95892	3.6
97.06446	3.3
98.19732	4.5
105.06994	13.0
107.04915	5.4
109.06460	9.8
111.04379	7.3
117.07002	3.3
121.06513	3.1
125.05966	4.2
135.04378	4.5
135.08055	6.8
149.05969	2.9
169.04965	4.2
171.10162	5.3
173.09734	4.5
175.11263	5.8
177.08968	4.1
179.03406	3.0
187.11197	13.3
193.12282	4.5
234.12202	3.1
249.11282	5.8
250.11992	12.0
263.09283	3.5
267.12360	3.4
268.13629	3.4
276.10010	4.0
278.11063	11.6
293.21118	5.8
311.11298	100.0
311.22214	24.2
312.11868	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Hydroxycoriatin
Peak:m/z	Relative Intensity
57.03324	11.3
58.00458	6.6
59.01240	7.2
59.98384	6.4
63.02807	2.0
64.28572	1.9
69.35885	18.9
73.02797	3.7
79.05398	2.4
83.04892	8.7
87.00755	5.7
95.04913	4.9
97.02789	3.4
99.04331	2.2
105.06972	5.9
107.04911	2.5
109.06477	5.9
111.04411	7.0
117.06986	2.7
119.08499	2.5
121.06437	2.3
123.04314	3.3
123.07986	2.3
125.05996	2.7
126.76076	1.7
133.06514	4.0
134.79901	1.9
135.04378	3.4
135.08052	12.5
139.03828	2.2
149.05959	5.5
153.29642	2.2
161.09691	2.2
169.04820	2.5
173.09637	3.4
175.11200	5.2
177.09215	2.3
179.07050	6.5
187.11220	13.0
191.10704	4.8
193.08588	2.8
205.12274	2.6
207.44247	2.0
216.11145	3.3
221.08128	2.4
223.09698	5.1
231.10138	3.4
233.11815	6.9
234.12111	2.5
249.11285	3.6
250.12065	23.6
252.68549	2.3
267.12378	7.0
268.13165	2.7
275.09308	3.1
276.09982	6.7
278.11246	6.5
294.10870	2.4
311.11346	100.0
312.11630	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	43.9
69.14416	2.5
69.69452	8.2
69.69878	10.1
71.01243	24.1
72.99181	5.2
73.02814	9.0
76.93087	2.4
85.02854	3.1
87.00741	6.2
89.02320	34.4
96.95902	8.5
99.00755	24.3
101.02312	18.8
101.31133	2.5
103.00265	2.8
107.04903	100.0
108.05221	3.3
113.02316	3.1
120.42177	2.6
131.03377	6.2
134.03615	3.6
135.04413	11.2
149.00819	11.9
149.04440	10.0
179.03340	7.4
179.63762	2.6
191.05527	7.5
231.10075	3.1
249.14893	2.7
267.12338	5.0
273.90897	2.5
311.11179	7.7
311.14917	4.4
311.18338	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03307	1.4
59.01249	100.0
69.37726	5.4
69.38140	2.7
71.01263	5.3
72.99182	1.5
73.02809	1.7
79.95606	1.4
83.04909	1.1
85.02818	3.4
87.00748	1.7
94.22918	0.8
96.95872	5.5
99.00759	1.1
101.02320	4.6
102.50010	0.8
109.06396	0.9
111.04382	4.4
113.02282	1.9
123.04345	1.4
134.03629	0.9
135.04439	4.1
139.03893	1.0
147.27354	1.0
149.00800	4.0
153.78351	0.9
159.20271	0.8
161.04436	3.3
173.09584	0.9
179.03461	2.9
189.56676	1.0
231.10141	3.6
269.10211	3.6
311.02060	1.0
311.05704	2.2
315.37698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0407
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
54.87070	4.1
59.01237	15.9
63.56514	5.2
65.94423	4.8
70.45469	4.4
71.01232	5.9
71.56989	4.3
71.97099	4.5
72.99165	13.2
87.00736	17.3
99.75030	5.2
135.04405	60.5
149.00813	100.0
149.02693	5.6
179.03433	49.7
187.11647	4.0
207.85052	4.5
227.57344	5.1
311.08011	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	311.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87070	4.1
59.01237	15.9
63.56514	5.2
65.94423	4.8
70.45469	4.4
71.01232	5.9
71.56989	4.3
71.97099	4.5
72.99165	13.2
87.00736	17.3
99.75030	5.2
135.04405	60.5
149.00813	100.0
149.02693	5.6
179.03433	49.7
187.11647	4.0
207.85052	4.5
227.57344	5.1
311.08011	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	311.0409
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
52.78445	1.2
59.01255	8.3
71.57757	1.5
71.66618	1.2
72.99184	13.8
87.00755	27.4
89.02269	1.2
96.95877	3.9
103.00256	6.1
105.01813	2.6
107.04897	2.3
108.60846	1.2
130.99727	2.0
134.03665	7.6
135.04420	88.4
136.04749	3.0
149.00826	100.0
150.01170	1.2
163.03978	1.6
165.03975	1.5
179.03426	71.6
180.03722	1.9
234.47336	1.1
311.11487	1.3
311.22372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40229	1.9
57.03315	4.1
57.85896	1.6
59.01241	14.5
60.01558	2.1
70.15253	10.0
71.01254	2.8
87.00725	3.8
97.02817	3.1
97.06438	5.4
109.44227	1.8
111.08015	5.5
112.08353	4.2
121.10069	3.0
125.09591	3.6
137.09595	10.4
138.09923	8.3
144.64134	2.1
152.99391	2.3
171.10188	18.8
172.10515	15.1
181.12129	2.4
183.13777	2.2
186.12105	2.8
187.88762	2.2
195.13759	4.1
195.78123	1.8
196.14110	2.8
197.11754	2.2
198.12117	4.7
211.13319	22.7
212.13707	22.5
215.32117	2.1
222.12056	1.9
244.14574	2.0
252.16803	7.0
263.20230	3.5
274.18961	3.4
275.19809	2.0
292.19980	100.0
293.20554	5.6
310.21063	34.9
311.22250	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15144	1.3
59.01242	3.4
67.73499	1.4
69.37497	12.5
74.63370	1.4
78.52867	1.7
96.95883	12.4
98.19794	3.1
99.71972	1.3
116.74010	1.7
119.91223	1.4
125.09608	2.9
140.52879	1.5
150.52063	1.8
151.03886	1.9
151.07518	4.1
152.08344	2.8
179.14325	8.6
209.15430	6.2
264.15631	1.3
265.17999	1.8
277.21704	41.3
278.21924	2.4
291.19617	1.9
309.17422	22.0
309.21124	4.2
309.24301	100.0
310.24533	8.5
333.79346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
56.01877	1.7
59.01239	5.4
64.22999	1.8
69.36475	4.3
69.36889	11.3
71.00379	1.8
79.95558	1.9
96.95888	15.6
98.14847	1.7
124.15334	1.8
151.03886	3.5
151.07559	4.8
151.11133	2.0
152.08324	3.7
156.43636	1.9
156.97250	1.6
205.71848	2.1
209.15483	8.6
265.18042	2.4
277.21719	100.0
278.21967	7.2
291.19489	3.0
309.17404	29.7
309.20901	3.4
309.24310	66.5
310.17368	3.8
310.24438	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	310.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	10.0
59.01250	4.1
59.98372	3.8
83.04897	10.1
95.04900	6.2
96.95905	5.1
105.07002	8.8
109.02791	6.0
111.04411	5.2
121.04466	4.1
123.04378	6.3
135.04381	5.3
135.08058	7.1
147.08031	4.7
149.06007	8.6
169.10117	10.4
175.07623	6.0
179.07036	5.1
187.11201	12.7
189.12836	8.3
191.10667	5.1
215.10681	31.9
229.64828	5.3
231.10175	5.0
233.11845	33.0
245.08319	4.2
249.11116	6.4
250.12073	11.5
255.25525	4.9
266.14447	4.8
276.09894	4.5
277.10809	100.0
278.11172	8.2
310.10559	74.7
310.13666	5.5
311.11337	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
59.01239	16.7
69.03303	3.4
69.32938	9.0
69.33369	14.6
71.01250	3.6
71.04883	4.0
80.02550	12.9
81.03286	6.9
83.04893	47.9
84.01628	2.1
84.02029	21.4
91.22431	2.5
95.04884	4.0
96.95850	3.9
97.06417	6.4
98.00723	2.5
99.08012	13.0
109.06476	3.9
111.07997	5.4
115.07464	7.5
116.17038	2.2
123.04401	2.8
125.09549	7.7
127.11096	6.8
137.09616	81.6
138.09903	4.7
139.11153	17.8
151.03819	9.3
151.07535	21.9
151.11163	5.4
152.08351	12.4
153.09137	12.9
155.10672	67.5
165.12675	2.7
166.91974	3.0
167.10519	4.2
171.10175	89.1
184.03607	2.3
193.10661	3.7
193.12248	33.9
195.13831	4.1
197.11702	3.0
205.26622	2.3
209.02684	2.4
209.15398	22.9
211.13196	9.8
223.16737	3.9
247.20461	9.0
252.09978	3.1
263.19925	10.4
265.17908	5.6
265.21814	5.5
265.73074	2.5
291.19638	95.5
292.19833	9.0
309.14771	12.6
309.16895	25.3
309.20499	100.0
310.17542	2.6
310.20911	6.3
329.66513	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57700	1.0
57.03320	4.4
59.01245	2.0
68.63736	0.9
69.03318	4.5
70.80116	1.6
70.80456	2.2
71.04902	2.5
80.00024	1.1
81.03329	1.2
83.04898	3.4
85.02806	1.7
85.06452	2.9
87.04420	1.2
95.04897	1.3
97.02826	33.5
97.06462	1.8
109.06461	2.8
116.60099	1.2
119.08515	1.4
125.09574	1.9
130.99071	1.1
135.07899	1.2
137.09615	9.2
165.12769	1.4
171.10164	14.0
177.12801	1.7
179.14288	2.4
181.12201	1.6
183.13811	4.4
195.13843	12.3
202.18373	1.0
209.11761	1.4
211.13319	1.4
221.11916	1.7
221.15398	9.7
222.15738	1.2
223.13322	4.3
223.16934	5.3
227.58528	1.1
229.19621	1.1
233.15446	6.8
239.12822	4.0
239.16469	3.0
247.20680	1.8
251.16493	17.4
273.18512	3.7
291.19656	49.7
292.19907	4.9
295.63608	1.0
309.20688	100.0
310.20984	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.41476	0.9
57.03315	1.9
57.78578	1.0
59.01265	1.9
67.01756	1.0
68.29488	1.0
68.93322	0.9
70.68460	2.8
75.37520	1.0
83.04920	1.3
95.04928	1.3
97.02852	2.8
97.06460	1.1
111.08038	3.6
121.10120	9.2
123.19673	0.9
125.09604	7.7
127.07565	1.3
129.05473	2.2
130.69896	0.9
137.07901	0.9
137.09625	6.4
155.06972	1.0
157.08678	1.5
167.14349	0.9
171.10168	11.4
181.12292	1.3
185.11720	9.5
195.13937	1.8
197.11763	4.3
209.11688	1.2
211.13319	58.7
212.13606	2.7
213.89893	0.9
225.14870	1.1
247.20618	1.0
251.16449	3.0
273.18585	1.4
291.19638	100.0
292.20013	7.4
309.17212	2.0
309.20679	19.0
310.21039	2.1
317.61856	1.1
318.90189	1.0
330.94006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.12050	1.6
53.23709	1.2
57.03312	5.0
59.01243	4.2
70.64405	3.3
70.64780	2.5
71.04520	2.7
71.04893	36.9
79.25219	1.5
83.04897	2.1
93.06897	1.3
95.04914	3.1
97.06464	11.8
97.84372	1.4
103.11732	1.4
105.19669	1.4
107.04910	1.3
109.06469	1.6
119.08540	2.9
121.10112	9.4
123.07993	2.6
125.09603	8.1
137.09631	37.8
157.12172	1.3
170.87967	1.4
171.10196	100.0
172.10556	4.4
181.12321	3.1
185.11755	14.0
207.13954	2.3
211.13301	2.6
211.66693	1.7
219.13925	4.4
233.15370	2.9
235.16948	3.8
237.14909	4.9
247.20740	1.9
251.16498	34.4
252.16829	2.2
273.18610	3.8
286.48798	1.7
291.19653	96.8
292.20007	7.7
309.20718	95.3
310.21109	7.2
330.46640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84186	1.6
57.00994	1.6
57.03313	3.4
59.01249	7.8
64.40069	1.5
69.03306	1.5
71.01299	2.1
71.04886	1.9
71.15253	4.5
81.03329	1.9
82.05444	1.7
83.01243	9.8
83.04900	5.6
86.52754	1.6
96.95878	1.8
97.02802	2.5
97.06494	3.0
98.03588	1.9
109.06444	1.9
111.08003	2.4
121.06542	2.3
123.04421	4.6
123.08045	3.3
125.09597	11.4
132.01093	1.6
137.09598	3.1
139.11183	12.8
142.02718	1.7
148.05106	3.1
151.03932	5.6
151.07527	11.3
152.08311	7.6
155.10684	4.1
163.11182	8.3
165.12697	13.2
167.10686	4.0
171.10143	8.0
176.98001	2.3
177.12988	1.5
179.14333	1.8
180.04167	1.6
181.12314	2.9
183.01118	2.2
184.07292	3.4
185.11714	6.4
191.10707	3.3
193.15871	6.9
197.11761	2.3
207.10274	2.1
209.11769	51.6
209.15314	17.1
210.12129	3.4
211.13309	4.0
247.20555	12.9
252.10062	1.9
265.18112	4.6
265.21698	4.6
273.18588	5.2
281.21109	2.6
291.19669	100.0
292.19870	7.9
309.15231	6.8
309.17044	18.7
309.20691	41.9
310.21228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59937	1.3
57.03299	1.7
58.93818	1.3
59.01247	2.7
70.10773	5.9
71.60019	1.3
79.95602	2.1
81.03308	2.0
83.04898	4.7
95.04892	2.3
95.95082	1.5
96.95894	20.8
97.06471	11.9
97.71997	1.2
99.00768	1.3
99.65223	1.3
111.08036	10.3
122.97453	1.4
147.11679	2.1
151.07533	2.8
163.11250	1.6
165.12766	100.0
166.13124	3.5
170.54037	1.4
183.13824	46.0
209.11768	4.7
209.15462	3.9
227.12891	2.8
237.51193	1.3
265.18024	1.4
265.21674	2.5
309.17435	26.0
309.20767	3.5
310.17892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82583	1.1
57.03320	2.6
59.01241	3.7
67.01746	1.7
69.58999	9.2
70.32784	1.4
71.04894	4.4
80.02551	10.0
81.03323	5.5
83.04898	31.3
84.02035	11.8
95.04913	1.4
97.06452	4.5
98.20511	2.8
99.08032	8.1
109.06439	2.0
113.09628	2.7
115.07505	5.1
119.08489	1.5
123.04398	3.0
123.08065	1.7
125.09595	6.2
127.11198	6.6
137.09613	49.1
138.10002	1.3
139.11160	8.5
148.05183	4.0
151.03976	1.5
151.07536	4.6
151.11130	4.6
152.08260	2.8
153.09087	7.5
155.10683	50.4
156.10989	1.7
160.60963	1.8
161.30762	1.3
162.03680	1.4
167.10715	3.7
167.14308	2.0
169.12195	2.8
171.10176	55.7
172.10457	1.4
180.04173	6.1
184.22050	1.3
193.12257	30.8
195.13719	1.5
209.11758	3.0
209.15361	4.5
211.13333	6.0
216.89957	1.3
223.16917	5.3
247.20650	7.5
263.20166	4.8
265.21667	7.2
268.32224	1.3
273.18628	2.4
281.21170	3.0
291.19662	100.0
292.19818	6.7
309.14825	8.4
309.17419	3.4
309.20654	73.1
310.21008	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.8
60.38347	1.1
70.29211	4.4
71.04879	3.2
73.41036	1.2
81.14867	1.2
84.81552	1.1
85.06539	1.4
97.06511	1.5
109.06458	1.7
111.08035	36.0
127.07549	1.7
151.11176	1.4
153.12741	2.1
169.12212	8.5
171.10210	2.0
181.12292	2.9
191.14395	1.4
197.11763	100.0
198.12103	5.4
199.13342	3.2
207.13802	1.4
209.15401	12.6
211.13312	10.0
223.17009	5.3
225.14851	2.9
227.12775	2.9
229.19589	1.4
233.15504	3.1
251.16451	8.5
251.43971	1.2
255.07945	1.4
263.20251	7.3
265.18109	3.2
273.18439	3.2
284.18503	1.1
287.98834	1.3
291.19653	21.2
292.20148	1.7
298.47705	1.4
309.20682	37.7
310.21124	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13717	1.4
55.14104	1.2
57.03320	3.5
58.00480	1.6
59.01254	5.8
69.03324	5.0
70.69900	2.9
70.70267	4.4
81.03337	1.6
83.04919	3.2
83.35800	1.7
99.35525	2.1
105.81548	1.6
111.08056	6.2
115.07484	2.0
119.08559	16.9
120.46685	1.5
123.04372	2.1
125.09619	7.4
127.07469	2.2
127.11201	3.5
135.08061	2.7
137.09633	34.2
139.11148	2.6
151.07504	2.3
151.11182	2.6
152.08337	2.2
153.09070	1.9
155.10635	3.3
158.19250	1.6
162.10452	3.9
163.11188	2.1
165.12827	2.5
167.10684	7.0
169.12292	2.4
171.10184	100.0
172.10599	4.0
177.12743	1.6
183.10187	6.5
183.13699	3.0
185.11754	22.8
195.10196	2.3
197.11827	14.2
201.11220	7.6
209.06136	1.6
209.15396	3.1
210.85194	1.6
211.13338	5.4
212.56944	1.8
213.11307	8.8
219.17532	2.4
225.14914	3.6
229.19522	2.2
247.20663	4.2
258.68512	1.8
263.20142	1.9
273.18616	7.2
281.17407	1.8
291.19650	77.3
292.19943	4.5
309.17075	10.3
309.20709	57.9
310.21054	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01245	2.6
69.03329	5.6
71.21639	3.2
79.74376	1.1
83.04897	3.8
85.02809	1.5
95.01270	2.8
97.02833	24.0
97.06441	2.2
99.00784	8.4
111.00786	1.3
111.08006	1.6
113.09612	3.9
119.08571	6.9
120.06919	1.2
120.14478	1.5
125.09623	4.1
127.11183	1.7
127.54417	1.3
137.08691	1.3
137.09639	17.0
151.03929	21.7
151.07555	33.1
152.08353	43.2
153.08794	2.4
153.12788	1.5
155.10661	1.7
163.11177	4.7
165.12749	3.7
171.10194	37.2
175.07533	1.6
179.14311	2.9
181.12288	2.5
184.07343	5.7
185.11832	6.7
190.09798	2.3
193.08653	2.9
193.12212	1.6
193.15921	1.5
195.10173	5.1
195.13873	4.1
197.11847	1.8
208.11011	6.1
209.15424	60.0
210.15778	3.7
211.13359	2.9
213.11264	2.4
215.15024	1.3
221.11836	2.8
221.15454	1.5
223.13466	3.1
247.17082	3.6
247.20705	6.0
249.90289	1.3
252.10039	11.7
265.18088	13.0
266.18362	1.3
273.18588	4.7
291.16357	4.2
291.19656	74.2
292.20099	4.5
309.17044	100.0
309.20706	94.7
310.17413	7.3
310.21017	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.9
58.71552	1.2
59.01244	4.3
65.60275	1.1
66.63983	1.0
69.03309	1.1
70.70228	3.6
71.04526	1.4
71.04897	24.0
83.04890	1.9
83.60195	1.0
93.03349	1.4
95.04896	2.5
97.06463	7.9
107.04882	2.1
109.06446	1.1
109.89974	1.0
119.08545	1.1
121.10158	5.8
123.08034	1.5
125.09599	5.1
127.11166	1.0
137.09622	20.3
171.10188	65.0
172.10507	2.0
183.13873	1.6
185.11768	10.2
195.13838	1.7
197.11786	2.3
207.13916	2.1
211.13377	2.2
219.13809	1.7
223.13426	3.0
233.15419	3.0
235.17020	4.2
237.14909	4.0
247.20676	2.7
251.16524	19.0
265.18231	2.1
273.18695	1.5
291.19662	81.2
292.20044	6.8
309.20709	100.0
310.21118	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.0
59.01235	12.2
68.86901	1.5
69.03307	3.6
70.67628	1.4
71.04891	4.9
71.38694	3.3
73.35270	1.6
83.04889	2.4
83.86594	1.6
97.06469	2.7
105.22614	1.2
107.08543	16.3
119.08543	22.3
121.10113	2.7
125.09602	3.9
127.11112	1.8
135.11746	2.7
137.09586	5.0
139.11166	1.7
141.12755	2.3
142.57668	1.8
149.24362	1.7
151.28920	1.6
155.10693	2.3
158.50714	1.3
171.10172	83.8
172.10582	2.9
173.08130	2.1
175.14775	3.1
183.10161	4.9
185.11757	5.7
197.11757	6.6
207.52440	1.5
217.19592	2.5
229.19566	16.5
247.17015	1.9
261.18579	20.6
262.18863	1.6
263.20258	2.6
273.18594	42.8
274.18921	4.2
279.19556	7.5
291.19662	54.2
292.19937	4.4
309.20685	100.0
310.20972	7.8
325.97012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.55726	2.1
59.01260	12.0
69.03336	4.1
71.04889	3.0
83.04894	6.1
96.25455	2.2
107.08532	15.6
111.08015	3.7
119.08565	20.1
125.09583	5.1
137.09605	6.4
155.10736	2.5
166.92047	2.2
171.10194	100.0
171.95255	2.2
172.10565	4.8
175.14809	2.4
183.10107	11.9
185.11751	5.7
195.10306	4.4
195.13873	2.3
197.11763	9.2
211.13509	2.5
217.19470	3.3
221.15436	46.6
228.82010	1.9
229.19652	11.2
239.16490	54.7
240.16862	3.3
261.18491	7.3
263.20297	2.3
273.18616	50.0
274.19040	5.2
279.19720	2.7
291.19659	78.3
292.19998	4.2
309.10504	3.1
309.20715	95.6
310.21100	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70752	1.9
57.03312	2.7
59.01231	3.2
59.39461	1.8
67.13365	1.6
69.03316	5.2
71.45342	3.5
83.04887	1.6
107.08549	1.9
108.05680	1.8
119.08544	23.9
121.10107	2.6
125.09645	8.8
127.11214	3.7
127.94326	1.8
135.08032	3.2
137.09613	30.2
139.11130	2.8
149.09605	1.8
151.20569	1.8
155.10657	4.2
157.08583	2.6
167.10635	5.3
171.10173	100.0
172.10509	5.1
183.10175	5.3
185.11774	25.6
197.11656	2.2
201.11259	8.8
213.11288	12.2
225.14725	1.9
229.19623	2.7
273.18542	9.9
291.19659	32.4
292.20062	1.8
309.17584	2.7
309.20694	64.3
310.21033	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90954	1.0
57.57865	1.1
58.00476	1.4
59.01232	1.5
69.03326	1.6
71.13970	2.3
71.14346	1.3
81.48381	1.1
83.04892	1.1
97.06455	1.8
109.06502	1.4
111.08035	30.8
119.08532	1.3
127.07524	2.4
137.09618	2.3
151.07495	1.0
151.11186	2.4
153.12726	2.2
154.78197	1.0
157.08678	1.3
167.69627	1.0
169.12222	8.8
171.10165	4.6
181.12265	2.7
183.13823	2.6
193.12123	1.6
194.33398	1.2
197.11754	100.0
198.12033	6.1
199.13281	3.4
206.26662	1.2
211.13327	11.0
215.34608	1.2
225.14787	1.6
227.12798	3.7
263.20117	7.3
265.18094	2.4
273.18594	2.1
291.19659	22.0
292.08377	1.7
292.20016	1.6
309.17490	1.8
309.20679	38.6
309.24280	2.3
310.21048	4.4
315.48883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21647	0.4
79.95604	8.7
79.96075	0.4
80.96371	0.9
94.97957	0.7
95.95097	2.0
96.95885	83.6
122.97466	3.2
161.11087	0.3
165.12747	0.6
193.45586	0.3
309.17386	100.0
310.17722	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.8
59.01255	7.2
65.18629	1.2
69.03322	1.7
69.47704	9.7
71.01260	3.9
75.55546	1.4
76.71115	1.3
80.02545	9.1
84.02057	3.0
95.04895	2.9
96.95891	2.5
97.06472	4.0
98.20575	2.5
99.08004	2.1
111.08080	1.7
123.04493	1.4
123.08051	17.7
125.09616	19.0
127.11198	7.3
137.09627	14.7
139.11232	6.9
141.09097	1.7
141.12772	2.8
151.03923	2.6
151.07607	6.3
151.11221	2.4
152.08330	4.1
153.09120	2.4
155.10684	44.6
167.10623	7.4
169.12225	1.4
171.10188	100.0
172.10576	3.6
185.11757	92.7
186.12088	4.0
193.15958	2.4
197.11925	1.6
209.15384	9.6
212.10478	3.5
247.20746	7.4
252.10083	1.5
263.20053	8.1
265.18018	1.8
265.21765	5.4
273.18555	1.9
281.21252	14.3
291.16379	2.2
291.19641	40.5
292.20059	3.7
309.12085	1.5
309.17053	12.2
309.20728	44.5
309.24295	2.9
310.17673	2.2
310.21140	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
71.58723	0.4
79.95608	9.6
80.96405	0.7
92.10185	0.2
94.97982	0.7
95.95103	2.3
96.95892	91.9
101.02328	0.3
122.97481	3.6
138.96938	0.4
140.90443	0.3
140.98486	0.3
151.03906	0.4
151.07503	0.8
152.08322	0.8
171.10236	0.5
197.11774	0.3
209.15359	1.6
263.25565	0.3
291.19754	0.6
293.08774	0.4
309.17407	100.0
310.17731	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	309.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
71.19145	0.9
72.42705	0.4
73.02879	0.4
74.50016	0.4
84.97794	0.4
96.95874	0.7
97.02847	0.4
116.78703	0.4
122.60268	0.3
137.09636	0.6
148.05197	48.7
149.05670	1.9
151.03951	0.7
151.07556	2.3
152.08339	1.2
165.05476	1.2
171.10165	1.2
179.01637	7.8
180.04193	100.0
181.04529	3.6
182.04623	0.5
183.01079	0.7
197.02719	0.7
197.11754	0.8
209.15392	3.3
251.16470	0.4
257.15576	0.6
265.18091	0.5
291.19656	2.0
309.14871	11.0
309.20743	2.9
310.15695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.00081	2.3
52.03447	2.0
55.97080	2.1
59.01256	10.3
71.01255	7.0
71.58501	3.5
121.02819	2.5
123.66243	2.0
124.63597	2.1
133.00943	2.3
161.04520	2.3
177.16318	2.4
199.83795	1.9
223.13341	2.6
231.21126	10.1
275.20148	100.0
276.20444	6.4
307.19305	5.5
307.22739	43.9
308.23114	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
56.89498	0.6
59.01246	0.9
63.23639	0.7
77.60400	0.7
98.19794	2.0
98.24069	0.7
102.46273	0.6
110.53788	0.7
117.35507	0.6
226.54672	0.7
276.47330	0.7
292.71808	0.7
293.43481	0.7
307.22772	100.0
308.23141	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51674	1.6
53.98676	1.9
55.01750	5.5
57.03310	4.4
59.01236	5.1
62.47105	1.8
65.03834	68.4
69.86983	8.5
69.87398	4.1
71.04894	40.2
96.10335	1.9
97.06470	71.7
97.37391	2.2
119.08572	15.7
120.65862	2.1
121.06483	100.0
123.08018	4.3
125.09609	41.2
137.09627	5.3
148.21338	2.2
185.11751	94.3
186.12131	3.0
192.25896	2.1
196.30606	2.3
209.11781	37.6
211.13338	37.9
212.13524	3.1
227.47945	1.9
233.15298	3.0
235.13364	97.3
236.13647	7.5
249.14912	2.8
289.18066	20.5
290.18384	1.9
307.19165	26.5
308.19464	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	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03308	7.2
59.01248	13.3
59.43556	2.0
64.49303	2.0
69.03329	4.7
71.01243	10.4
71.04864	1.9
71.17185	4.6
80.02558	1.8
83.04842	2.6
85.02812	2.5
89.02289	2.3
92.89995	2.1
95.04931	3.8
97.06461	16.3
109.06463	6.1
111.08023	8.9
121.02779	2.5
123.04374	2.2
125.09577	2.9
135.08151	2.1
141.09019	2.8
149.09602	4.5
151.11194	21.3
153.09114	3.8
153.12744	3.1
155.10660	11.5
161.04478	2.6
163.11142	5.6
165.12743	17.6
167.10704	5.2
169.12248	5.4
177.09120	1.9
177.12744	3.4
179.10672	6.6
181.12257	22.5
191.10686	9.1
191.14293	9.1
197.11847	2.2
205.12276	4.0
209.11758	39.0
211.13281	8.1
213.18628	1.7
217.15872	2.7
224.10381	2.1
227.81668	2.4
239.09213	3.4
245.19073	34.3
246.19286	2.3
263.20160	9.7
271.16937	3.9
279.19598	4.8
289.18100	51.5
290.18326	2.9
307.10519	3.1
307.19101	100.0
308.19434	6.0
320.53418	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.5
57.03318	6.0
59.01242	6.5
65.03832	66.4
66.04157	2.1
69.03331	3.3
71.01241	1.9
71.04888	40.7
71.21723	2.7
80.02551	1.6
80.40086	1.2
83.04893	5.2
85.02844	1.5
88.84240	1.3
93.03348	6.9
95.04897	2.2
96.95896	1.7
97.06462	69.2
109.06458	2.5
117.06989	6.6
119.08553	21.8
120.05699	1.8
121.06477	100.0
122.06796	2.6
123.08057	5.7
125.09601	46.7
133.06410	1.5
135.08051	34.4
137.09587	5.9
141.12730	2.4
167.82173	1.2
171.10156	24.0
185.11749	77.5
186.12138	2.2
209.11760	37.6
211.13326	33.0
212.13614	1.6
217.12329	1.8
235.13339	97.4
236.13666	5.6
245.19177	1.6
249.14890	4.3
271.17090	2.1
275.27667	1.4
279.19681	2.5
289.18091	36.8
290.18399	2.9
307.10300	3.3
307.19089	33.1
308.19492	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82943	0.5
59.01243	3.8
69.03324	0.9
69.85689	2.6
71.01250	1.1
71.04897	7.0
72.61719	0.6
80.02536	0.9
81.03319	2.1
83.04902	1.8
88.52703	0.6
95.04902	2.5
96.95884	0.6
97.02814	0.8
98.03587	2.3
98.20575	0.5
106.04108	1.5
107.04926	0.6
109.06482	15.2
111.04401	7.7
111.08054	1.8
123.08041	1.3
127.07545	3.2
135.08084	0.8
137.05991	0.7
137.09537	0.7
143.10675	2.3
145.06462	2.2
149.05983	1.1
149.09624	1.2
151.11151	0.8
167.10680	1.9
177.12666	0.7
179.10698	1.3
181.12294	0.7
195.13843	4.5
200.11659	0.5
233.15437	0.6
235.13287	2.1
245.19087	6.8
246.88557	0.6
249.14874	0.8
251.16479	1.7
258.36346	0.6
271.17023	1.3
273.15054	0.6
287.16495	2.2
289.18085	100.0
290.18460	6.8
307.10413	0.9
307.19131	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74203	2.4
57.03311	11.5
59.01244	19.2
62.07016	2.3
69.57579	16.4
71.01240	12.6
78.61996	2.7
80.02531	3.1
81.03304	2.5
83.04870	7.0
84.02039	2.5
85.02872	2.7
93.06973	4.5
95.04886	3.3
97.06470	20.6
106.04154	3.6
107.08479	2.5
109.06461	5.1
111.08019	13.6
121.02785	3.3
121.06473	10.2
121.78180	2.5
123.08036	4.4
125.09602	17.3
127.11144	4.0
135.08043	7.8
136.19948	2.6
137.09607	5.4
138.26904	2.3
151.11172	26.6
153.09129	12.3
155.10716	16.1
161.04536	3.7
163.11186	4.4
165.12770	24.8
167.10695	6.2
168.11546	2.7
169.12305	4.2
171.10167	21.4
177.12755	6.0
179.10706	11.6
181.12270	28.5
185.11771	37.7
191.10670	9.7
191.14337	9.6
205.12323	4.1
207.10217	2.6
209.11755	51.2
211.13341	7.6
211.61523	2.4
224.10437	4.3
239.09116	4.1
245.19075	42.4
261.18497	7.0
263.20197	18.2
271.17053	4.2
279.19653	8.4
289.18082	49.9
290.18552	4.1
307.10461	5.7
307.19113	100.0
307.22610	6.0
308.19351	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.46086	1.2
55.01742	1.2
57.03310	5.1
59.01244	10.5
67.01769	1.4
69.03323	2.1
71.01244	2.2
71.04899	1.1
79.95599	3.2
80.96366	1.6
81.03329	4.7
83.01248	4.7
83.04881	3.1
85.02764	1.4
89.02348	1.1
95.01248	1.6
95.04887	3.3
97.02823	6.1
97.06479	7.3
100.39384	1.1
109.02824	1.3
109.06477	2.5
111.07991	1.4
121.02867	2.0
121.06457	3.0
123.04386	9.6
123.08031	5.9
124.84575	1.2
125.06013	2.1
125.09591	13.6
125.10419	1.8
135.04330	1.4
135.08017	3.8
137.05898	1.2
137.09607	10.8
141.12794	2.2
142.02689	2.0
142.75893	1.2
149.05936	2.6
151.11176	2.0
161.04485	1.1
162.10258	1.8
163.07613	2.3
163.11203	15.4
165.12712	2.8
171.10117	2.3
179.10718	3.3
181.12247	4.8
185.11760	19.7
189.12845	1.6
191.10606	1.5
191.14334	17.0
203.14481	1.3
207.10201	7.9
209.11755	27.2
210.12096	2.0
217.15829	2.3
225.11259	8.5
245.19067	44.7
246.19376	2.1
263.16510	2.2
263.20087	2.1
271.16943	5.9
289.18073	100.0
290.18362	6.1
307.10483	2.3
307.19110	56.8
308.19235	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00025	1.2
57.01424	1.4
57.03311	5.3
57.09811	1.2
57.99776	1.2
59.01251	8.3
69.03335	2.9
71.01229	1.6
71.21687	2.4
71.22016	1.7
76.33536	1.4
78.95819	1.5
80.02567	2.6
81.03340	4.7
83.01266	5.8
83.04899	4.2
83.58944	1.6
88.76067	1.6
93.03352	2.6
95.04892	4.5
97.02836	6.5
97.06478	11.3
109.06468	3.1
121.06509	2.4
123.04453	9.6
123.08041	5.3
125.05991	1.8
125.09626	16.8
135.08052	4.3
137.09593	13.2
141.12695	2.8
142.02644	2.4
149.05975	3.4
149.09602	1.8
163.07516	1.5
163.11186	18.8
165.12779	3.7
167.10735	2.2
171.10194	2.1
177.12778	2.6
179.10652	3.0
181.12257	3.4
185.11754	23.1
191.10686	3.3
191.14352	18.0
197.11787	1.7
200.68533	1.6
207.10266	11.9
209.11780	35.0
210.12282	1.7
217.15839	2.1
225.11284	11.0
244.18990	1.6
245.19067	42.0
246.19337	3.2
263.20087	3.2
271.17038	4.6
279.19684	1.9
289.18106	100.0
290.18454	7.8
307.19153	54.0
308.19479	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.61641	1.1
55.01732	1.3
58.00465	1.5
59.01248	53.9
64.56767	1.0
64.98784	0.9
67.48298	0.9
69.54102	8.0
71.01253	26.6
72.99174	2.4
73.02822	2.7
77.44395	1.0
83.01286	2.5
85.02814	6.9
87.00773	1.4
88.77925	1.1
89.02316	27.0
95.01246	1.6
98.19877	1.5
99.08029	26.1
100.54362	1.1
101.02316	16.8
105.82141	1.0
113.02327	9.5
119.03372	9.5
127.07530	5.9
129.09074	3.3
131.03452	1.3
141.09077	2.9
143.03343	1.3
145.08607	80.7
145.65388	1.0
146.08914	2.2
160.26117	1.3
179.05656	1.3
187.09657	1.8
235.66563	1.1
307.13971	100.0
308.14291	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
59.85397	0.6
60.97383	0.6
63.50145	0.5
65.46989	0.5
69.59665	4.0
71.01253	0.7
74.53000	0.5
74.98943	4.5
87.73184	0.6
91.02079	2.7
93.00008	4.2
125.13197	0.5
149.00832	3.2
159.08397	6.8
161.06303	2.3
206.99669	1.7
209.01181	2.0
217.07188	0.9
223.02794	54.8
224.02789	3.9
225.00586	0.7
241.03874	2.1
289.07532	2.3
291.09097	100.0
292.09229	9.6
307.12131	2.0
307.15497	0.9
307.25717	0.7
309.10098	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36335	0.3
59.01230	0.4
61.42875	0.3
70.83520	0.9
74.98937	4.4
91.02094	2.5
93.00001	3.1
149.00868	2.2
159.08369	7.3
161.06297	1.9
192.98045	0.6
206.99654	1.5
209.01140	2.1
217.07138	0.9
223.02777	47.3
224.02843	3.3
241.03813	1.4
265.35455	0.3
289.07434	1.8
291.09085	100.0
292.09232	10.0
307.12289	3.1
309.10135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0978
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
59.01260	0.8
71.58549	0.5
71.58937	0.8
75.10284	0.6
78.95782	0.7
79.95601	1.2
96.95895	7.4
97.41879	0.5
121.02785	0.8
130.04170	1.2
133.02837	1.2
135.04404	0.9
135.24181	0.6
143.04897	0.9
157.17976	0.5
161.02357	1.6
162.03134	4.7
170.03636	0.9
171.04478	2.1
177.05441	5.7
179.03380	1.0
190.18283	0.6
207.08153	3.0
217.06491	0.8
219.08110	1.2
221.06126	0.9
234.06863	1.7
235.07611	12.3
236.08368	4.0
241.05122	1.3
245.06018	1.1
246.06807	1.1
247.07628	2.7
249.05530	2.9
261.05496	0.6
262.06354	0.9
263.07114	36.0
264.07779	7.9
267.06570	1.2
268.07397	0.8
274.06442	2.6
275.07138	2.4
290.05844	0.7
291.06638	22.7
292.07419	100.0
293.07819	8.7
307.09766	61.3
307.19211	0.9
308.10040	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.61011	2.3
56.61629	2.2
61.52274	2.3
63.82484	2.4
66.35992	2.1
70.59214	3.5
70.59573	6.0
75.89224	2.2
88.49220	2.2
98.20505	2.6
231.64838	2.4
252.98096	3.4
305.24844	100.0
306.25110	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	306.0762
Annotation	Glutathione
Peak:m/z	Relative Intensity
57.41526	1.9
58.02847	14.8
59.01246	2.4
59.09151	1.9
69.83853	12.8
71.01223	3.0
72.00772	2.3
74.02340	34.2
82.02846	4.8
84.04434	2.7
85.88046	2.2
86.02351	11.4
86.98950	2.3
87.00764	2.2
87.05526	12.3
89.02290	2.1
90.00046	4.6
96.95878	10.9
97.03932	2.1
98.19790	3.7
99.05527	28.1
101.07092	4.2
102.05471	2.8
109.03938	2.8
111.05520	2.7
112.03895	3.3
113.39635	2.3
116.01621	2.9
124.03917	3.8
125.03429	4.1
127.04989	7.4
128.03430	73.0
131.04533	2.9
135.04428	3.4
135.05510	6.3
137.06969	2.8
141.06589	6.3
143.04520	100.0
145.06046	3.8
146.04498	7.4
153.06604	7.0
160.00641	31.0
162.03125	2.4
166.09836	2.6
167.04527	7.1
170.03271	2.2
177.03287	15.2
179.03239	3.0
179.04573	22.9
185.05640	3.5
188.47853	1.9
194.77641	2.0
197.05554	5.0
198.08766	2.9
210.08772	24.1
226.78267	2.1
242.07886	3.7
250.01759	5.0
254.07765	25.5
272.08841	33.2
273.09030	2.5
288.06552	7.7
306.07584	42.6
306.15042	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
58.02851	2.1
59.01252	30.5
65.41621	1.4
68.18277	1.6
69.54781	3.8
69.55190	8.0
71.01257	3.8
71.04896	46.5
71.18092	1.5
72.99177	1.7
78.88088	1.7
81.03314	3.2
93.03333	4.2
95.04903	19.3
98.20539	2.1
103.06271	1.6
103.91909	2.1
106.04104	2.0
108.02076	2.3
109.06510	14.4
111.04420	4.1
121.06480	6.9
127.07498	2.3
132.05574	1.6
133.06334	1.6
135.08029	4.5
141.01608	11.1
146.86588	2.5
147.04329	2.6
147.08081	2.2
161.05988	3.2
165.09117	13.2
166.73035	1.5
168.13844	2.4
169.14252	1.8
189.12776	15.7
201.12740	1.8
205.15828	11.3
213.83609	1.9
233.11818	9.2
243.17445	12.9
249.14937	11.7
261.18539	1.8
269.15585	2.7
287.16556	79.9
288.16907	5.9
305.08087	4.8
305.17578	100.0
306.17938	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01748	1.8
57.03326	2.7
58.08076	0.9
59.01249	16.6
65.03819	3.4
69.03326	1.0
69.56156	1.0
70.31403	1.7
70.31789	1.7
71.01254	1.2
71.04886	9.5
72.23304	0.9
79.05401	13.0
83.04881	2.1
85.02808	2.0
85.42603	1.0
93.03330	2.3
95.04878	2.1
97.06467	13.8
106.04110	6.7
107.04900	3.7
109.06461	2.8
116.11772	1.1
117.06954	1.3
120.05690	5.7
121.06446	3.3
121.46110	1.1
123.08069	6.9
125.09612	15.4
133.06477	1.1
135.08051	100.0
136.08376	3.8
137.09636	1.7
141.01585	5.2
151.11140	2.1
152.91524	1.3
160.84160	1.2
161.05939	1.4
163.11163	1.1
169.08582	1.3
171.10123	1.7
183.10106	1.7
185.11749	3.1
189.12668	1.4
205.15944	7.5
207.10254	1.9
209.11731	1.6
216.82027	1.1
221.11781	2.8
243.17390	1.6
249.14929	49.2
250.15277	1.8
263.16467	2.6
269.15561	2.3
271.25931	1.0
287.16528	9.3
305.08127	3.3
305.17535	64.0
306.17880	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1606
Annotation	Creoside II
Peak:m/z	Relative Intensity
55.01756	6.8
57.03332	5.5
58.00459	3.5
59.01247	58.9
65.37652	0.7
69.03318	1.2
71.01250	100.0
71.57429	1.2
72.01589	1.7
72.99194	4.6
73.02816	25.3
73.03735	0.9
74.02342	3.2
75.00748	2.3
75.86830	0.7
81.17323	0.8
83.01247	12.9
84.02029	1.4
85.02818	40.8
85.99944	0.7
87.00763	3.2
89.02312	30.2
95.01255	7.7
96.95884	2.6
97.02837	1.4
99.00746	11.1
101.02319	65.9
102.02656	1.1
102.12554	1.0
111.00738	0.8
113.02329	38.3
116.03442	1.1
119.03374	13.8
120.99521	1.0
125.02337	2.4
125.09607	2.5
129.01828	1.4
131.03366	1.7
132.04480	1.1
143.03401	3.4
159.02919	7.1
161.04462	21.5
162.04745	0.9
169.39626	0.9
200.87041	0.8
201.11252	1.6
209.11676	1.2
305.10645	1.5
305.16144	9.9
305.19431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2281
Annotation	Samandarine
Peak:m/z	Relative Intensity
58.02850	0.9
59.01247	3.0
70.28869	1.3
85.50461	0.5
86.05984	40.4
130.04980	1.3
141.01588	1.2
142.87375	0.5
168.13835	1.5
181.19948	0.4
182.16292	0.4
262.21762	1.4
267.94455	0.7
287.16479	0.4
304.22797	100.0
305.23114	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	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	37.7
59.92351	0.4
69.70936	2.0
70.20810	0.4
74.92783	0.4
79.95601	1.9
96.95885	93.8
97.06469	0.7
98.20548	0.5
135.08076	0.6
147.08080	1.6
155.05800	0.4
165.09184	0.5
225.11272	21.5
226.01019	0.4
226.11711	0.6
270.74640	0.5
305.06989	100.0
306.07367	6.1
317.42166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1394
Annotation	Heleniamarin
Peak:m/z	Relative Intensity
51.70189	0.8
58.00195	0.7
58.00463	4.0
59.01018	0.7
59.01255	7.4
68.32890	0.8
69.03330	3.1
69.36815	6.1
69.37222	1.9
71.01243	2.3
73.02813	21.7
83.04890	3.4
84.02052	1.1
85.02831	4.2
85.99974	1.3
86.59148	0.9
87.00758	0.9
93.03306	0.9
95.03834	0.8
95.04897	1.7
96.95930	1.3
97.02822	1.1
97.06471	1.7
99.04399	1.3
107.04903	2.1
108.02014	0.8
109.02843	1.7
109.06450	2.4
110.03646	2.2
111.04379	2.0
121.02815	1.1
121.06500	1.2
123.04374	1.5
123.08037	1.9
124.01542	2.2
135.08052	1.2
137.02312	2.0
137.05940	1.2
137.09630	1.4
138.03101	1.1
139.03928	1.2
145.06459	0.9
147.08105	1.2
147.11670	1.2
149.05980	0.9
149.09598	1.2
151.07547	0.9
161.09781	0.8
165.05330	0.8
165.09158	1.4
173.09587	2.2
173.13290	1.1
175.07582	1.4
175.11211	2.5
177.12732	1.2
182.80867	0.8
187.11150	2.3
187.14746	1.3
199.11179	1.1
199.14844	2.2
201.12778	3.5
203.14352	4.0
205.12230	1.8
205.15900	2.6
213.05627	0.8
213.09198	2.2
213.12901	1.0
215.14333	5.3
217.12355	1.8
217.15869	4.9
225.12775	3.1
231.10315	1.1
231.13858	3.3
233.15405	10.3
243.13852	17.1
245.11891	1.2
259.13440	1.1
261.14917	34.3
262.15286	2.1
271.56879	0.8
273.07773	0.8
277.14441	8.3
287.12906	7.8
301.75894	1.0
302.27332	1.1
305.13919	100.0
305.77625	0.8
306.14307	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
52.37591	1.0
59.56407	1.1
65.16603	1.1
69.52161	9.7
87.05276	1.1
92.44486	1.1
140.07651	1.1
303.23285	100.0
304.23593	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11911	0.2
51.49406	0.3
54.23480	0.2
55.94416	0.2
58.02847	45.3
59.01251	1.0
59.03197	0.3
61.27667	0.2
71.57805	0.5
93.03333	0.3
117.84016	0.2
141.01587	0.6
151.11188	0.4
168.13846	100.0
169.14188	3.9
212.11029	0.2
212.12852	5.4
213.13156	0.3
290.11023	0.3
304.19171	0.9
305.08456	0.3
305.12051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.145
Annotation	Urechitol B
Peak:m/z	Relative Intensity
57.03308	4.6
59.01250	100.0
69.32047	1.5
70.58672	1.3
71.01232	1.4
71.04876	1.7
75.48064	1.2
83.04896	5.6
87.00728	2.5
95.04913	2.3
96.95882	2.9
97.06465	5.7
99.04391	13.8
107.04896	2.7
107.59485	1.7
109.06466	1.7
110.03581	2.4
113.30477	1.2
123.08038	7.9
125.05979	21.1
125.61516	1.3
135.74728	1.7
163.11220	5.2
165.09085	3.7
167.07033	7.1
181.12276	3.1
185.08115	26.0
186.08467	1.5
207.10237	2.2
223.13275	3.2
225.11269	21.8
241.14418	1.8
243.12352	23.5
244.12723	1.8
267.27399	1.7
285.13455	16.7
285.16385	2.0
303.14496	90.0
304.14926	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	303.2179
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
52.41247	0.1
53.24010	0.1
55.91066	0.1
57.03325	4.6
58.00470	0.5
59.01253	0.4
59.04888	0.2
69.03322	0.2
71.04893	0.2
71.58068	0.1
71.58500	0.2
72.99182	0.5
73.02798	0.3
84.02029	0.2
85.02820	1.4
86.03593	0.2
87.04395	10.1
88.04728	0.3
96.62727	0.1
96.95869	0.2
113.09598	0.6
167.14297	0.5
169.15898	6.1
170.16159	0.3
181.15933	1.7
195.13809	0.2
197.15404	11.3
198.15662	0.5
199.16968	0.5
221.19058	0.4
225.14964	0.2
225.18532	1.6
226.15678	0.2
227.16463	2.4
227.20062	0.4
228.16820	0.3
237.18535	0.5
239.20218	0.6
253.18149	0.4
255.19638	14.1
256.19977	0.8
257.21198	4.2
258.21597	0.3
285.20776	0.2
301.19992	0.4
303.21765	100.0
304.22107	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58443	0.8
52.69093	0.7
56.99677	0.7
59.01250	100.0
63.87597	0.7
64.38148	0.7
65.70731	0.8
70.60814	2.5
71.01253	10.8
73.02823	7.4
83.01266	1.3
85.02823	1.9
87.00731	0.8
89.02319	4.7
89.24554	0.8
96.95896	0.9
98.50383	0.8
98.89182	0.9
101.02334	5.5
113.02303	2.8
119.03421	1.3
131.03429	0.8
289.59821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1234
Annotation	Antibiotic LL-Z 1271alpha
Peak:m/z	Relative Intensity
58.00467	2.1
59.01244	9.2
63.97867	1.5
65.03829	1.9
67.01723	2.6
69.03315	5.5
70.52422	5.1
71.01240	3.5
72.99167	2.0
73.02802	6.8
79.05387	5.2
81.03342	3.7
83.01228	1.7
83.04893	15.6
85.02809	2.1
85.99949	1.9
86.23221	1.5
87.00733	3.1
93.03330	3.0
93.06976	7.4
94.12280	1.7
95.04903	7.8
97.02843	3.6
97.06472	2.7
99.04389	2.4
107.04898	6.2
107.33946	1.5
108.02111	2.2
109.02833	4.3
109.06457	3.4
111.00734	1.9
111.03627	2.0
111.04392	27.4
116.87290	1.5
121.02840	4.9
121.06458	5.6
122.03617	2.3
123.00741	3.5
123.04379	10.8
124.01557	14.3
125.02322	8.8
125.06030	4.0
133.06479	3.0
133.10115	3.5
135.04424	2.1
135.08032	5.2
136.01476	1.7
137.02327	5.2
137.05969	2.6
138.03094	6.0
139.02953	2.8
139.03911	30.7
145.10103	2.7
147.11673	1.6
149.05968	4.9
150.03151	1.8
151.03856	3.6
151.07507	6.0
153.05566	1.8
155.08574	1.8
157.06523	2.6
157.10088	2.5
161.05954	3.0
161.09589	1.7
163.07500	8.5
165.09071	4.9
169.10141	2.6
171.08025	2.4
171.11687	3.8
173.06032	1.9
173.09624	4.3
173.13293	2.3
175.03934	1.8
175.07539	2.1
175.11075	2.2
177.05460	2.4
177.09094	5.1
179.07021	1.9
185.09610	3.5
185.13264	2.0
187.07620	2.4
187.11134	3.9
189.09200	3.4
190.06233	1.8
191.07016	3.1
191.10696	2.1
197.09743	2.2
197.13251	4.9
199.11191	6.8
201.12753	7.2
203.10616	2.0
203.14406	8.2
213.09052	2.6
213.12715	11.3
215.10683	3.7
215.14336	9.7
217.12259	5.0
223.11145	2.6
225.09113	1.6
229.12309	4.5
231.13844	13.3
239.10631	1.9
241.12265	20.5
242.12642	2.3
243.10219	5.4
245.11597	2.2
257.11789	5.0
259.13351	43.1
260.13556	3.5
275.12906	4.3
285.11301	19.4
303.12350	100.0
304.12646	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	303.1237
Annotation	Antibiotic LL-Z 1271alpha
Peak:m/z	Relative Intensity
51.71334	1.7
57.03322	1.5
59.01254	7.1
59.91743	1.7
62.02584	1.6
69.03329	4.6
69.64832	4.5
69.65250	8.5
71.01250	2.2
73.02821	3.7
73.22523	1.6
75.66694	1.5
79.05393	4.0
81.03334	3.5
83.04894	9.5
85.02806	2.0
85.99911	2.2
93.06980	5.7
95.04897	6.2
97.02834	2.0
98.19878	3.1
105.06981	1.6
107.04941	3.1
109.02843	5.1
109.06479	2.4
111.00776	2.0
111.04411	22.5
119.08496	1.9
121.02831	4.2
121.06500	3.0
122.03666	2.0
123.00800	1.7
123.04411	7.8
124.01579	9.4
125.02328	6.1
131.08583	1.8
133.06467	2.3
133.10127	4.0
135.08031	2.5
136.01572	1.9
137.02339	3.5
138.03081	1.9
139.03905	25.1
145.06598	1.7
145.10068	2.1
147.08102	2.7
149.06033	1.8
151.03905	2.5
151.07581	4.5
154.91716	1.6
163.07561	8.1
165.09140	3.5
171.07921	2.1
171.11760	2.5
173.09599	2.4
173.13199	3.5
175.07471	2.4
175.11266	2.0
177.09120	2.4
179.07036	2.3
185.13321	1.7
189.05463	1.9
189.09152	4.5
191.07072	3.4
192.07741	1.7
197.13280	5.2
199.11287	8.1
201.09065	2.4
201.12799	4.2
201.68082	1.7
203.14388	4.3
213.12831	10.2
215.10759	3.0
215.14314	11.6
223.11259	3.0
226.10114	1.7
229.12366	4.9
231.13817	11.2
241.12337	14.8
243.10231	6.2
247.13443	2.6
257.11923	3.1
259.13367	34.0
270.08774	2.1
275.12894	5.8
285.11322	18.8
303.12378	100.0
304.12689	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	303.0873
Annotation	6-Methoxy-alpha-pyrufuran
Peak:m/z	Relative Intensity
50.20491	0.6
56.81524	0.6
59.01251	1.3
61.07267	0.7
63.83252	0.6
71.56740	0.6
71.57134	0.8
75.42583	0.7
83.49471	0.6
90.57694	0.6
91.01741	0.8
98.89854	0.6
106.03990	0.8
119.01290	1.1
135.00723	0.9
136.14008	0.5
163.00278	18.6
190.99780	100.0
192.00073	3.8
206.02136	45.1
207.02522	0.9
220.99501	0.8
227.03299	1.0
242.02411	0.8
242.05750	1.3
245.04576	1.0
257.07962	0.8
271.06067	1.9
303.08710	1.2
303.19666	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2385
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
59.01240	2.9
61.98719	2.3
71.58388	1.6
78.95756	3.7
84.76752	1.1
97.89458	1.0
123.00813	5.3
127.11162	8.7
138.03079	4.1
139.03841	1.3
143.09474	1.1
143.10556	1.5
155.10666	1.9
157.12143	1.9
171.10181	2.5
201.11214	1.9
211.78091	1.1
265.21872	1.8
283.22772	9.9
286.04489	1.3
299.22235	3.6
300.99771	6.0
301.02975	9.5
301.18176	86.6
301.23770	100.0
302.18567	6.9
302.24200	7.2
310.56186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99673	0.8
62.38070	0.7
69.33915	4.1
69.34341	2.2
87.92389	1.0
92.91875	6.7
98.20565	1.4
103.91900	1.3
108.91364	2.5
121.02837	0.7
122.89314	7.4
124.90836	0.7
127.07562	1.3
148.90863	2.7
159.04419	4.0
161.04741	1.0
161.05991	13.3
163.00266	1.4
170.88551	0.7
181.12256	4.8
190.99750	7.5
195.13773	0.6
201.05466	1.6
206.02115	4.1
211.13347	1.8
218.98743	2.0
228.04350	0.8
229.04991	9.0
234.09859	0.7
243.06647	2.4
244.07373	19.8
245.07764	1.5
255.02585	1.2
257.04013	1.9
259.05560	2.6
259.09692	10.8
260.09995	1.2
270.05597	0.7
271.01898	1.8
273.03497	48.8
274.03809	2.3
287.01685	0.7
288.06342	0.7
301.02927	3.9
303.04572	100.0
303.08636	13.1
303.19730	5.3
304.04813	5.6
304.08249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2385
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
58.00460	0.6
59.01238	1.0
61.98695	0.5
63.01545	0.2
71.04578	0.3
71.04899	3.0
78.95760	0.5
80.55159	0.2
99.04381	0.3
101.05962	2.4
101.94330	0.2
117.82392	0.2
123.00735	0.7
138.03151	0.5
143.50255	0.2
174.96872	0.3
181.15860	0.4
183.17499	1.8
199.16916	0.8
211.16963	0.9
212.36990	0.2
213.18498	0.3
217.00282	0.3
219.97502	0.2
225.22192	0.3
227.16493	1.9
237.26398	0.2
255.23164	0.3
257.17596	0.6
265.21722	1.2
281.21335	1.3
283.22784	11.2
284.23093	0.6
299.22299	5.2
300.99817	0.6
301.23825	100.0
302.24173	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03328	1.7
58.00471	0.3
59.01240	2.3
67.01740	0.4
67.65888	0.2
69.03319	1.8
70.45673	0.8
71.01257	0.7
71.04884	1.0
75.44528	0.3
83.04887	1.2
85.02817	0.9
93.82659	0.2
95.04901	1.2
96.95866	0.4
97.06464	5.9
98.06789	0.3
98.20531	0.3
99.08029	9.8
102.11255	0.2
109.06460	1.1
111.08019	0.5
115.07524	0.4
120.96589	0.3
123.00776	0.5
127.07549	0.6
127.11178	2.8
129.09079	1.1
135.08067	0.3
137.02261	0.2
137.09572	1.6
138.03194	0.3
139.07561	0.8
139.11176	5.8
143.07019	1.8
155.10666	6.3
161.02350	0.3
165.09061	0.8
171.10126	0.8
181.08661	1.0
183.10176	28.9
184.10591	1.6
185.11674	0.6
201.11250	14.4
202.11574	0.6
206.50990	0.3
265.18109	2.2
283.19168	0.6
286.05203	0.3
301.20169	100.0
302.17035	0.4
302.20523	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	301.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51374	2.2
59.01258	15.2
68.50790	2.3
69.45837	3.6
69.46242	16.8
72.46465	1.8
82.44584	2.5
88.22075	2.2
90.02439	2.1
115.66848	2.0
116.34567	2.4
123.00742	6.1
188.94113	2.4
203.17947	5.6
217.07195	5.4
257.22687	22.1
300.99927	7.8
301.16550	5.2
301.21701	100.0
302.21982	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	301.1657
Annotation	oscr#3
Peak:m/z	Relative Intensity
58.00533	0.6
59.01251	100.0
60.01587	0.8
69.31366	7.0
73.02814	13.0
81.58572	0.7
99.62350	0.7
106.06505	1.1
106.09265	0.7
108.04447	2.6
109.06488	0.9
113.23854	0.7
124.07580	2.1
136.07578	6.6
141.96951	0.7
168.06758	0.9
189.12863	1.2
207.13806	7.0
209.11655	0.8
225.14920	7.6
227.12823	24.2
228.13295	2.0
251.12781	3.4
257.12927	14.5
257.15640	0.7
269.13998	2.6
283.15503	14.6
284.16125	1.6
301.03601	0.8
301.16580	18.7
302.17188	0.8
303.36487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.79327	0.1
59.60499	0.1
59.96609	0.2
60.97381	0.7
62.56246	0.1
66.70171	0.1
67.45354	0.1
70.68919	0.1
71.58577	0.3
74.98965	0.5
75.96101	0.2
76.40460	0.2
91.02078	0.2
93.00031	0.4
118.95271	0.2
118.96195	0.3
120.97730	0.2
123.00759	0.5
134.99300	5.9
135.99266	0.3
136.97227	2.4
138.03148	0.4
141.07300	0.3
143.05302	0.3
150.98781	0.5
152.96704	0.4
159.08359	1.7
161.06316	6.7
162.06470	0.2
201.04083	0.7
203.05592	3.1
204.05760	0.3
205.03546	1.0
215.05623	0.8
217.07175	85.1
218.07318	5.5
228.78444	0.2
235.08249	0.7
261.06183	0.8
283.11969	0.4
283.15475	0.2
285.13480	35.5
286.13708	3.1
301.16602	100.0
302.16809	8.7
303.14380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
60.01585	0.8
73.02813	13.6
81.03297	0.7
83.04913	0.9
87.00742	0.7
96.95885	6.6
98.95448	0.6
109.06452	0.7
114.93115	0.5
115.00936	0.5
123.51428	0.5
135.04460	0.9
165.12761	1.0
167.10641	1.2
189.12781	1.1
191.10776	1.0
202.85403	0.6
207.13815	7.1
208.14041	0.5
209.11751	10.9
225.14879	8.0
227.12816	26.4
228.13210	1.4
251.12869	3.0
269.13962	2.2
283.15491	14.4
284.15689	1.2
301.11273	0.9
301.16522	20.0
301.19711	0.8
302.16833	1.3
313.79501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1597
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
50.27339	0.4
57.46395	0.4
69.29279	2.8
69.29698	1.9
78.74243	0.4
83.32940	0.4
123.00764	1.9
138.03114	0.9
149.33139	0.5
217.07156	2.2
254.42619	0.4
285.13474	1.2
286.13556	1.7
300.99957	1.9
301.15976	100.0
302.16330	9.2
302.49341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0926
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
51.09646	0.2
55.10582	0.3
71.28143	0.3
71.28468	0.4
93.03332	6.7
99.17734	0.3
102.31342	0.2
117.65108	0.3
121.02831	9.0
122.03197	0.4
138.03137	0.3
139.03902	100.0
140.04237	2.3
151.24127	0.3
165.01826	0.4
301.09314	1.8
314.98355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0348
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
50.23510	0.3
57.03313	1.4
58.62387	0.3
59.01241	0.7
62.98364	0.3
63.02261	2.8
65.00188	8.3
65.03803	0.4
67.01758	1.1
68.99674	1.3
69.03323	0.5
71.57375	0.4
72.99158	0.4
76.39441	0.3
81.03327	0.9
83.01254	7.7
85.02814	0.4
89.03857	0.5
90.03165	0.3
91.01756	0.8
91.88644	0.3
93.03326	7.4
95.00795	0.3
95.01263	3.7
96.99186	0.5
97.02819	0.3
99.00752	0.4
103.05371	0.4
105.03342	0.7
107.01264	12.2
107.04939	0.5
108.02052	1.1
109.02828	3.5
109.99937	0.4
111.00759	8.4
115.05402	0.6
117.03345	7.2
118.03691	0.3
119.01277	0.6
119.04912	1.8
121.02847	4.0
123.00771	2.2
123.04297	0.3
124.01555	1.5
125.02340	8.3
130.04117	0.7
131.04909	1.5
131.25246	0.3
133.02856	2.8
133.06425	0.4
135.00749	1.7
135.04404	2.7
136.01561	0.4
136.98711	0.5
137.02328	3.4
139.00256	8.4
139.03888	0.6
140.01057	0.3
141.01854	0.3
141.03302	0.3
141.06915	0.3
143.04939	2.3
145.02870	2.9
145.06488	0.6
146.03607	0.5
147.00725	0.8
147.04385	1.3
148.01498	0.5
149.02342	19.4
150.02632	0.5
151.00272	23.2
152.01064	3.5
153.01836	14.8
153.02859	0.2
154.02158	0.6
155.04872	0.8
156.05711	0.4
157.06482	1.1
158.03609	0.8
159.04420	5.6
161.02350	3.3
161.05978	0.6
163.00273	5.5
163.03882	1.3
164.01021	1.2
165.01855	1.6
167.04915	0.7
169.01308	1.2
169.02657	0.4
169.06494	0.5
171.04419	2.6
173.02335	0.6
173.05972	1.4
174.03127	0.4
175.00267	0.4
175.03891	1.3
176.01060	0.3
177.01817	2.6
177.05400	0.5
177.62650	0.3
178.99753	3.8
181.01334	15.2
182.02019	1.5
182.03625	0.8
183.04437	2.5
184.05205	0.4
185.02409	0.9
185.05972	2.1
186.03105	0.7
187.03915	4.6
188.04688	0.5
189.01793	1.4
189.05461	1.8
190.02658	0.8
191.03430	2.5
192.00533	1.6
193.01350	7.8
195.04469	0.5
198.03084	0.6
199.03949	1.5
199.05589	0.3
200.04762	0.5
201.01804	2.3
201.05507	7.4
202.02519	0.6
202.06041	0.4
203.03435	3.9
205.05000	0.7
206.99205	2.0
208.00053	2.3
209.00703	0.3
211.03954	3.6
213.01901	0.9
213.05536	1.8
214.02599	0.8
215.03433	5.9
216.04120	0.9
217.01367	1.4
217.04912	1.9
227.03438	3.3
229.01338	1.0
229.04974	5.2
230.02126	1.0
231.02951	5.8
233.04465	2.4
239.03418	3.7
240.04074	0.5
243.02989	2.1
245.04495	9.3
246.04871	0.6
255.00223	0.8
255.02939	15.8
256.03375	1.3
257.04532	8.8
258.01810	0.7
258.04874	0.9
259.02438	2.9
268.03751	1.3
269.04541	0.3
271.02414	0.5
271.77173	0.3
272.03223	2.9
273.04037	13.6
274.04340	0.7
283.02460	5.4
284.03052	2.4
300.02686	0.4
301.03500	100.0
301.20071	1.2
302.03879	7.0
323.58456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
59.01248	11.8
63.02266	2.3
65.00188	4.3
67.01765	0.6
69.15120	0.4
69.73920	1.6
69.74336	0.9
71.01267	0.6
73.02818	2.0
79.95638	0.5
83.01253	3.3
93.03326	1.6
95.01254	1.7
96.95885	1.5
105.03316	0.8
107.01258	6.2
107.04874	0.7
108.02057	0.9
109.02827	5.1
111.00769	1.8
117.03302	0.5
119.01268	2.1
119.04874	0.6
121.02830	3.8
123.00746	2.0
125.02368	2.1
132.02052	0.6
132.52190	0.3
133.02837	14.3
134.03064	0.4
135.00784	0.8
135.04407	2.5
136.98705	0.9
137.02339	7.6
139.00235	2.6
139.03908	0.5
143.04893	1.7
145.02808	1.1
145.06432	0.7
147.00786	2.6
147.04428	1.5
148.01512	1.1
149.02344	11.5
150.02713	0.4
151.00261	11.0
155.04874	0.6
157.06511	0.6
159.04387	1.7
161.02393	0.9
161.05966	0.8
162.05597	0.4
163.00374	1.9
164.00987	0.5
164.98190	0.6
165.01837	10.6
166.02127	0.5
166.99751	1.3
167.04970	0.6
169.01353	0.4
169.02757	0.4
170.03433	0.4
171.04391	1.8
175.03932	1.0
176.01059	0.9
177.01825	2.6
178.99800	0.7
183.04398	1.6
185.06004	1.2
187.03954	2.2
189.01840	1.6
189.05493	1.8
190.99763	1.2
191.03404	1.2
192.00563	2.6
193.01300	1.1
194.01550	0.4
197.02618	0.4
198.03139	0.4
199.03951	0.9
201.01892	1.1
201.05461	1.4
203.03401	1.3
207.13834	0.8
211.03922	2.9
211.13176	0.4
213.01843	0.5
213.05496	1.6
215.03404	2.8
225.14803	0.7
226.89749	0.5
227.03406	4.8
227.12849	2.5
229.04996	4.0
231.02956	0.6
233.04546	1.0
239.03519	1.9
240.04245	0.9
243.02951	0.6
245.04283	0.9
255.02956	19.1
256.03424	1.5
257.04526	15.8
257.12921	0.5
258.04959	0.9
259.02490	0.5
272.03116	0.6
273.03973	3.8
283.02451	20.1
283.15424	1.8
284.03082	3.6
301.03488	100.0
301.16550	2.2
302.03870	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.06041	0.4
57.03304	0.4
59.01031	0.4
59.01253	4.0
60.04594	0.4
62.42656	0.4
66.39509	0.5
68.56384	0.4
70.81978	1.1
93.96200	0.4
136.78384	0.4
138.05522	0.7
139.11081	0.6
141.12747	2.6
155.14296	0.5
166.15393	0.4
174.99144	1.4
217.00217	4.2
253.25331	2.2
266.97690	0.5
281.24789	2.7
284.03275	1.3
297.24164	1.2
299.05661	1.0
299.20633	14.1
299.25879	100.0
300.20496	1.4
300.26248	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2015
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
53.03220	0.2
59.01253	1.3
80.46173	0.2
80.76110	0.2
98.20565	0.4
111.42757	0.2
124.73600	0.2
127.12000	0.2
137.02304	0.3
138.05508	0.2
165.99774	0.2
166.06807	0.2
174.99181	0.4
217.00192	1.3
223.59474	0.2
229.19537	0.2
284.03308	0.3
291.62872	0.2
299.20142	100.0
300.20493	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.45701	0.3
59.01251	4.4
59.47799	0.3
61.90135	0.3
69.64364	1.5
71.52179	0.3
73.17783	0.2
73.97482	0.3
89.02296	0.3
123.00018	0.2
137.02353	0.4
138.05511	1.6
146.83501	0.3
174.99184	1.5
189.40977	0.3
191.07185	0.2
196.82414	0.2
212.47241	0.2
217.00237	5.3
251.23656	0.3
253.25359	4.1
256.03738	0.6
281.24960	1.5
284.03299	2.1
285.03461	0.3
297.24338	0.8
299.05600	1.2
299.25903	100.0
300.26257	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.165
Annotation	Miltipolone
Peak:m/z	Relative Intensity
59.01249	5.1
70.82001	0.9
77.17678	0.3
81.71865	0.3
92.99149	0.3
99.92484	0.4
109.75809	0.3
117.03343	14.0
117.04175	0.7
117.28271	0.3
119.04907	3.4
121.02837	3.8
123.04412	1.2
131.94510	0.4
133.02829	0.7
138.05495	0.8
139.26091	0.3
145.02849	68.0
146.03220	2.2
162.03102	1.2
163.03900	1.6
174.99161	1.3
185.77463	0.3
206.62006	0.3
217.00246	5.2
256.03842	0.4
281.23944	0.5
284.03262	1.9
298.24774	0.4
299.05624	2.0
299.16498	100.0
299.25232	6.8
300.16855	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1861
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.38672	0.5
51.40918	0.4
57.03326	2.5
59.01240	7.7
69.03307	1.4
69.33126	4.8
71.01240	1.4
71.04864	0.8
73.02810	0.8
75.00697	0.6
79.95644	0.5
81.03308	0.7
83.04878	2.0
84.02020	0.7
85.02810	4.2
86.28835	0.5
95.01240	0.7
95.04885	2.9
96.87735	0.5
96.95870	3.1
97.06460	12.8
98.19806	1.0
99.08041	5.2
109.06486	1.6
110.03566	0.6
121.06433	0.7
125.05981	0.8
125.09624	1.0
127.07539	0.6
127.11160	1.6
135.07971	1.3
137.02289	0.5
137.09608	2.3
138.05429	0.9
139.07559	1.1
139.11180	4.8
143.07039	8.2
147.08072	0.6
149.09615	4.1
155.10645	5.9
157.08612	1.3
159.83844	0.5
165.09064	2.3
165.12769	0.6
167.10722	0.9
167.83340	0.5
169.08545	0.7
174.99136	1.8
175.07535	0.7
181.08585	1.9
183.10179	27.6
184.10503	1.4
193.08649	2.8
201.11259	14.5
211.09712	1.7
217.00197	5.6
219.17474	0.7
256.03717	0.6
263.16455	3.6
281.17566	1.7
284.03207	1.8
299.18610	100.0
300.18890	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	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
52.19382	1.0
59.01231	1.6
60.24885	0.9
69.94283	5.2
71.01243	1.3
83.49898	0.9
85.02815	1.6
93.03329	55.0
94.03681	1.2
96.95871	1.3
97.21838	0.9
101.02319	1.6
104.10612	0.9
137.02335	100.0
138.02673	2.7
138.05487	7.5
195.44836	0.9
233.57382	1.3
299.07819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71169	0.2
53.41178	0.2
70.45192	1.0
81.03316	0.4
87.14758	0.3
100.52724	0.3
108.02042	0.8
109.02876	0.5
119.83265	0.3
129.66547	0.3
136.01537	2.2
137.02336	100.0
138.02661	2.9
150.54485	0.3
205.52304	0.3
281.66608	0.3
299.07742	7.0
300.07956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01245	1.3
70.82926	0.9
71.01135	2.0
71.01492	1.0
93.03330	6.0
97.54321	1.0
108.02053	1.0
119.85345	0.8
124.05327	0.8
136.01563	2.9
137.02344	100.0
138.02687	2.4
139.41071	0.9
140.12111	0.9
196.57573	1.0
217.52814	0.9
236.10609	1.0
247.28929	0.9
260.60269	1.0
262.97586	0.9
299.07901	6.5
299.25879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01296	0.9
63.02273	1.4
64.99969	0.2
65.00257	0.8
71.19331	0.5
83.01309	1.0
86.72246	0.2
87.47657	0.2
96.95944	0.9
107.01263	3.0
107.01923	0.2
109.02875	0.2
121.49026	0.2
123.00899	0.2
125.02338	0.3
125.69822	0.2
130.13994	0.2
132.02122	0.9
133.02914	0.9
134.03636	1.2
144.28801	0.3
148.01599	0.5
149.02440	0.3
149.99608	0.5
151.00278	3.5
151.01357	0.3
169.01381	0.5
174.03265	0.3
183.04501	0.7
187.03940	0.5
188.04721	0.3
197.02310	0.2
199.03949	1.0
200.04700	0.9
211.03915	1.2
212.04626	0.3
215.03392	0.3
216.04181	0.3
217.00253	0.4
227.03455	2.9
228.04135	0.4
231.12773	0.2
239.03505	0.6
243.02954	0.6
255.02986	2.0
256.03741	21.1
257.04080	0.9
267.03076	0.2
270.67593	0.2
271.02490	4.0
272.02841	0.3
283.02399	1.1
284.03259	100.0
285.03598	6.5
299.05588	72.2
300.02612	0.5
300.05917	4.5
300.11163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.20189	0.6
63.02275	1.1
65.00197	0.8
67.58678	0.5
71.03892	0.5
71.07745	1.5
87.49091	0.6
96.36479	0.5
107.01258	1.8
132.02092	0.8
151.00272	3.3
199.03996	0.7
211.03928	0.8
227.03458	2.5
255.02963	1.5
256.03735	28.8
257.04022	2.0
283.02527	0.9
284.03262	100.0
285.03629	5.9
299.05606	54.6
300.05884	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02272	5.1
65.00189	2.6
69.85399	0.6
71.58770	1.0
83.01261	0.6
89.00215	0.8
91.01756	0.8
96.95881	1.1
107.01268	3.8
109.02824	4.3
119.01210	0.9
119.04909	0.7
131.04868	0.6
133.02858	7.4
134.03226	0.5
135.00777	1.7
137.02272	0.5
143.04907	3.5
145.02827	1.6
147.00792	0.9
147.04401	1.7
149.02341	0.6
151.00291	2.7
155.04938	0.7
157.02844	2.7
159.04437	1.1
171.04420	7.8
173.02351	1.5
175.03931	3.2
182.03598	0.8
183.04430	0.9
187.03917	3.1
190.98917	0.5
197.02388	1.7
198.03120	2.2
199.03944	13.8
200.04434	0.6
201.01892	5.0
203.03403	1.3
211.03899	0.5
213.01749	0.9
214.02707	0.8
215.03433	5.5
217.78455	0.5
226.02670	3.4
227.03439	6.2
229.01430	0.5
242.02158	1.2
243.02969	6.7
250.95738	0.5
255.02983	1.5
271.02475	77.7
272.02802	6.1
282.01785	0.8
284.03079	1.0
292.23413	0.5
299.01971	100.0
299.25562	0.5
300.02347	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01249	3.3
70.33748	0.5
70.34155	0.7
71.01235	1.1
71.56541	0.3
77.57469	0.3
78.25580	0.3
83.04877	0.3
85.02824	0.4
89.02302	1.0
98.19834	0.4
101.02315	1.0
111.08048	0.8
113.02313	0.4
113.09583	0.6
119.03366	0.4
135.06500	0.4
157.08598	11.8
158.08984	0.4
169.12221	0.3
179.05482	0.4
183.01126	3.4
213.08827	0.3
217.24072	0.3
234.12592	0.3
254.14952	0.3
261.22177	0.6
279.23273	14.7
280.23691	1.1
295.22763	0.9
297.11795	1.0
297.15259	4.9
297.24319	100.0
298.24667	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01247	3.9
68.99683	0.3
71.01241	2.1
73.02803	0.4
78.05654	0.3
79.95607	0.8
85.02818	0.7
86.81139	0.3
89.02327	1.9
97.06480	0.4
101.02323	1.4
106.07663	0.4
113.02301	0.5
113.09612	1.0
119.03378	1.2
135.04471	0.4
135.06529	0.6
161.04550	0.5
165.12657	0.5
172.88380	0.3
174.54697	0.3
174.97871	0.3
179.05486	0.5
183.01123	17.0
183.13820	44.4
184.01892	2.8
184.14197	2.0
190.85625	0.3
197.02710	0.5
205.01549	0.3
216.00870	2.7
225.17767	0.3
278.62979	0.3
279.23273	6.2
280.23566	0.4
281.58603	0.4
297.15277	62.7
297.24310	100.0
298.15607	5.1
298.24631	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11880	0.4
58.11975	0.4
58.95922	0.4
59.00977	0.8
59.01247	8.1
60.19795	0.5
71.01248	3.1
71.57631	0.6
73.02815	1.0
85.02821	0.8
89.02300	3.3
101.02306	1.9
113.02328	1.6
119.03400	1.8
135.04407	0.5
135.06512	1.1
148.30052	0.5
154.87747	0.5
161.04431	0.6
179.05511	1.2
183.01155	7.9
184.01573	0.7
200.63356	0.5
215.00165	0.6
216.00943	0.7
251.23801	0.9
279.23386	1.1
295.22632	1.2
297.11942	2.4
297.15259	16.0
297.24335	100.0
298.15591	2.0
298.24643	8.1
304.47833	0.5
312.35565	0.4
319.13873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.32351	0.6
57.03310	0.7
57.22734	0.5
59.01254	4.6
70.64360	1.4
71.01244	2.6
85.02785	0.7
89.02304	2.5
101.02299	1.7
110.54914	0.6
113.02321	1.1
119.03410	0.9
125.09640	1.4
132.15356	0.5
135.06494	0.9
141.12749	1.1
146.71837	0.6
155.10652	0.7
169.20833	0.7
171.10207	1.0
176.48053	0.6
179.05557	0.6
183.01108	7.7
184.01729	0.6
210.69981	0.7
253.25369	1.6
279.23108	1.4
297.11914	1.8
297.15253	13.0
297.24335	100.0
298.15680	1.0
298.24722	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	297.2432
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.06245	0.7
52.18684	0.6
58.04555	0.6
59.01249	9.3
62.31318	0.6
71.01247	3.9
71.58808	1.1
81.88626	0.6
89.02314	4.7
101.02325	2.3
109.25609	0.7
113.02320	1.8
116.35564	0.7
119.03355	2.0
127.11169	1.8
135.04346	0.8
135.06502	1.8
148.17334	0.6
161.04546	1.7
171.10185	8.4
179.05533	0.9
183.01129	9.3
190.20250	0.7
279.23355	10.1
280.23520	1.0
286.73810	0.8
297.11877	2.7
297.15253	17.6
297.24338	100.0
298.15625	1.3
298.24646	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.45232	2.4
54.16374	1.9
58.00469	2.8
59.01252	100.0
69.64079	2.3
70.41138	6.4
71.01254	62.5
72.99166	5.6
73.02820	4.7
81.03335	2.3
83.01254	3.7
85.02820	18.5
87.00737	3.6
89.02312	78.1
95.01273	4.3
101.02321	40.4
113.02334	22.1
119.02583	2.8
119.03385	30.7
135.06526	20.7
143.03415	4.6
149.04497	2.6
161.04453	21.7
170.80284	2.0
179.05510	27.4
237.09714	3.3
297.11880	39.2
297.17099	2.4
297.24365	8.6
315.05807	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.07666	0.5
59.01249	7.8
70.68333	0.8
70.68673	0.8
71.01249	3.4
73.02817	0.7
85.02824	0.9
88.44957	0.5
89.02319	3.7
101.02316	1.8
113.02329	0.9
116.25591	0.5
119.03383	1.5
130.76433	0.5
135.06519	1.0
136.87947	0.5
161.04431	0.8
169.12192	1.3
170.12512	0.5
179.05516	0.7
183.01134	8.2
183.13823	12.8
184.14232	0.6
208.75713	0.5
216.00945	0.5
267.23245	6.8
279.23254	8.9
295.22729	1.0
297.11847	2.6
297.15250	14.0
297.24332	100.0
298.15558	1.7
298.24652	8.6
298.27884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00004	0.4
57.03328	1.0
58.33467	0.4
59.01246	0.8
71.06847	0.9
78.23595	0.4
89.89753	0.5
98.95460	1.4
103.28218	0.4
111.07957	0.4
113.09595	1.5
127.11186	0.8
127.44576	0.4
146.74640	0.5
154.80336	0.5
165.12753	1.8
171.10077	0.6
194.48511	0.4
196.81340	0.4
209.01184	0.4
239.66209	0.4
251.23807	0.9
277.21710	1.0
295.22763	100.0
296.23077	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27306	0.7
57.03303	1.0
59.01253	4.5
69.34396	7.8
83.96139	0.8
96.95882	2.7
98.70485	0.7
98.95467	9.9
98.96164	1.3
99.08022	0.9
121.10129	0.8
125.09615	1.4
139.11182	1.0
140.57208	0.9
141.12720	1.2
155.14336	2.1
171.10172	53.4
172.10507	2.1
183.10164	2.8
187.83893	0.8
195.13847	0.9
204.20824	0.7
247.82605	0.7
277.21701	59.1
278.22208	4.6
295.17944	6.3
295.22748	100.0
296.23096	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.0
59.76580	0.6
63.82948	0.7
69.24769	8.4
71.01248	1.0
83.04893	0.7
96.95853	1.4
98.19746	1.4
101.02309	0.7
111.08023	3.1
112.39079	0.7
113.09577	3.0
135.11676	1.2
157.08600	55.1
158.08890	1.6
195.13832	8.4
196.14229	1.2
209.15393	2.5
233.22696	0.8
277.21698	54.4
278.22034	4.3
295.06198	0.8
295.22757	100.0
296.23117	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.51186	0.4
57.03322	0.6
59.01243	1.9
70.24116	0.4
71.07837	1.1
77.34576	0.5
78.16385	0.5
113.09600	2.6
118.98215	0.5
137.15839	0.5
152.80125	0.5
164.03804	0.5
177.12634	0.6
179.14343	0.9
195.13847	19.9
196.14203	1.0
201.89761	0.5
262.81171	0.6
277.21735	18.3
277.24802	0.9
278.22104	1.2
295.22778	100.0
296.23108	7.7
297.91074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.87087	0.4
57.03315	0.7
59.01256	2.1
66.84358	0.4
67.03165	0.5
69.03318	0.4
70.54156	1.5
71.01261	0.5
73.45704	0.4
122.01290	0.4
125.09592	0.9
126.74417	0.4
127.11207	1.0
141.12727	0.9
155.10614	0.8
158.45099	0.5
171.10182	31.4
172.10477	1.2
183.10167	4.9
195.13814	3.2
233.22559	0.4
259.20746	0.5
277.21698	39.6
278.22021	3.6
292.52594	0.5
295.22769	100.0
296.23169	7.4
305.77563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03312	1.2
59.01258	3.4
63.28565	0.5
71.01238	0.8
71.29377	0.8
83.04887	1.0
96.95905	1.1
98.95431	1.1
111.08047	5.7
113.02323	0.6
127.11165	2.1
161.04439	0.8
165.12752	3.2
251.23830	1.8
277.21619	1.1
295.22775	100.0
296.23099	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	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
69.57473	3.5
72.72223	0.4
93.08051	0.6
109.06466	0.6
152.64973	0.6
178.09010	0.5
227.63109	0.5
243.46819	0.4
265.21735	2.4
277.21729	4.9
293.21185	0.8
295.22769	100.0
296.23062	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.52525	1.0
53.23917	1.2
57.03336	1.9
58.38210	1.0
59.01249	12.5
70.89377	2.7
71.01254	2.5
72.53783	1.0
73.02814	1.4
79.95621	1.4
85.02782	1.3
85.85537	1.0
89.02315	2.4
96.95858	2.6
101.02321	2.0
113.02388	1.0
115.79949	1.1
129.05464	1.9
133.04950	2.4
161.04510	1.7
171.10178	45.2
172.10553	2.9
173.10710	2.1
181.69862	1.2
215.10660	2.1
231.31947	1.2
253.09218	1.6
277.21707	61.9
278.22128	5.7
294.21036	1.1
295.22742	100.0
296.23047	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26652	0.7
57.03325	1.0
59.01249	6.6
69.66971	1.3
69.67382	3.3
71.01255	1.6
79.95608	0.9
81.32744	0.7
85.02827	0.8
89.02323	0.8
96.95899	6.1
97.98111	0.7
98.19815	1.6
98.95473	17.9
98.96302	3.6
99.08035	0.7
101.02320	1.0
110.14774	0.7
113.09605	2.6
149.21916	0.8
179.14363	1.3
183.13809	2.7
195.13847	27.7
196.14133	1.4
251.05887	0.7
253.08968	0.9
267.23392	0.8
277.21704	27.2
278.22159	1.2
295.17792	13.8
295.22772	100.0
296.23111	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
69.57473	3.5
72.72223	0.4
93.08051	0.6
109.06466	0.6
152.64973	0.6
178.09010	0.5
227.63109	0.5
243.46819	0.4
265.21735	2.4
277.21729	4.9
293.21185	0.8
295.22769	100.0
296.23062	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	295.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93229	0.3
59.01255	17.9
59.47970	0.3
69.63618	2.1
69.64045	0.8
71.01243	0.6
78.95774	0.4
80.96426	0.8
96.95913	2.2
99.92484	0.4
100.02271	0.3
101.02350	0.4
107.01314	0.4
113.02308	0.4
114.59193	0.3
127.86657	0.4
143.04948	1.1
151.00256	0.7
181.12341	0.4
183.13837	16.5
184.14133	0.6
195.13841	17.1
196.14137	0.9
201.01962	0.5
213.14915	100.0
214.15279	4.8
215.10753	1.0
223.13100	1.6
235.13135	2.6
235.46719	0.4
237.11157	0.6
247.36227	0.4
252.15892	0.4
253.12950	1.0
265.13043	0.5
267.12115	2.0
275.57376	0.4
279.12097	1.7
283.14114	0.7
295.06210	4.0
295.14801	7.6
296.14478	0.8
299.94827	0.5
305.10547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1184
Annotation	Amotin
Peak:m/z	Relative Intensity
55.22029	0.3
57.03317	1.6
58.00465	5.0
59.01247	10.0
60.60982	0.3
60.99160	0.3
69.03323	0.7
71.01241	2.0
71.04893	0.4
71.57899	0.6
72.99173	3.9
73.02814	3.8
76.78467	0.3
79.05407	0.4
79.95609	0.8
80.96396	0.5
83.01275	0.3
83.04892	0.9
84.02023	0.7
85.02814	1.6
87.00749	14.2
87.04395	1.1
89.02312	0.7
93.03319	0.9
95.04883	1.2
96.95879	1.8
97.02826	0.9
101.02312	1.0
103.00246	28.5
105.06967	3.0
107.04887	1.8
109.06489	1.5
109.60271	0.4
111.04397	1.2
112.76672	0.3
113.02316	0.4
113.06001	0.3
119.03398	0.6
119.04897	1.1
119.08556	2.5
121.06480	0.6
123.04399	0.6
125.02337	0.5
125.05975	1.1
132.06598	0.6
133.06487	0.4
135.04393	0.6
135.08064	0.7
137.09557	0.6
143.08539	0.4
145.10080	0.6
147.08026	0.4
147.11682	0.9
149.09618	0.4
151.03940	0.8
153.05481	0.5
157.10129	0.6
159.08080	0.5
159.11725	0.9
161.04465	0.6
161.09576	0.4
163.03885	1.2
163.07645	0.5
167.03328	0.3
169.04942	1.0
171.08055	0.9
171.11707	1.1
173.09612	2.1
174.10004	0.3
175.03906	0.4
175.07683	0.4
175.11186	7.4
177.12773	1.0
185.09644	1.0
187.11232	2.4
189.12793	3.1
191.10713	4.1
193.12247	0.9
197.04375	0.3
197.08112	0.6
201.09184	0.6
203.10704	2.0
205.12276	3.4
206.12746	0.4
207.13896	0.9
215.10681	1.6
219.10193	0.9
221.11778	6.0
222.11923	0.4
233.11813	2.3
234.11925	0.3
244.11073	0.3
247.09642	1.5
249.11305	2.8
251.12842	15.9
252.13292	1.0
254.44612	0.3
265.10760	2.3
277.10867	0.6
294.81403	0.3
295.11844	100.0
296.12201	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23088	1.8
57.67792	2.0
58.50327	1.8
59.01245	10.3
71.53140	2.5
71.53487	2.7
79.95604	25.6
80.96394	18.6
88.88188	1.9
89.02350	3.0
95.95160	2.3
96.95882	100.0
101.29662	2.0
110.18084	2.0
131.07036	2.9
133.05023	2.1
134.04610	26.0
135.74335	1.9
136.99046	2.0
163.03941	3.6
171.08099	5.8
173.09613	15.5
187.11182	3.3
215.10712	44.4
295.06421	32.5
295.12643	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	295.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22029	0.3
57.03317	1.6
58.00465	5.0
59.01247	10.0
60.60982	0.3
60.99160	0.3
69.03323	0.7
71.01241	2.0
71.04893	0.4
71.57899	0.6
72.99173	3.9
73.02814	3.8
76.78467	0.3
79.05407	0.4
79.95609	0.8
80.96396	0.5
83.01275	0.3
83.04892	0.9
84.02023	0.7
85.02814	1.6
87.00749	14.2
87.04395	1.1
89.02312	0.7
93.03319	0.9
95.04883	1.2
96.95879	1.8
97.02826	0.9
101.02312	1.0
103.00246	28.5
105.06967	3.0
107.04887	1.8
109.06489	1.5
109.60271	0.4
111.04397	1.2
112.76672	0.3
113.02316	0.4
113.06001	0.3
119.03398	0.6
119.04897	1.1
119.08556	2.5
121.06480	0.6
123.04399	0.6
125.02337	0.5
125.05975	1.1
132.06598	0.6
133.06487	0.4
135.04393	0.6
135.08064	0.7
137.09557	0.6
143.08539	0.4
145.10080	0.6
147.08026	0.4
147.11682	0.9
149.09618	0.4
151.03940	0.8
153.05481	0.5
157.10129	0.6
159.08080	0.5
159.11725	0.9
161.04465	0.6
161.09576	0.4
163.03885	1.2
163.07645	0.5
167.03328	0.3
169.04942	1.0
171.08055	0.9
171.11707	1.1
173.09612	2.1
174.10004	0.3
175.03906	0.4
175.07683	0.4
175.11186	7.4
177.12773	1.0
185.09644	1.0
187.11232	2.4
189.12793	3.1
191.10713	4.1
193.12247	0.9
197.04375	0.3
197.08112	0.6
201.09184	0.6
203.10704	2.0
205.12276	3.4
206.12746	0.4
207.13896	0.9
215.10681	1.6
219.10193	0.9
221.11778	6.0
222.11923	0.4
233.11813	2.3
234.11925	0.3
244.11073	0.3
247.09642	1.5
249.11305	2.8
251.12842	15.9
252.13292	1.0
254.44612	0.3
265.10760	2.3
277.10867	0.6
294.81403	0.3
295.11844	100.0
296.12201	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
51.18476	0.6
56.80506	0.5
59.01254	6.4
66.91341	0.7
69.48263	0.6
69.90656	3.3
70.41464	0.6
72.99176	1.6
79.95618	4.6
80.96398	3.5
84.99138	0.6
87.00742	9.8
96.95882	11.2
103.00237	3.4
110.23150	0.6
112.98681	7.4
119.04912	70.6
120.05263	2.3
148.91171	0.6
149.00807	11.0
163.03914	100.0
164.04219	3.7
171.08022	1.5
173.09712	1.5
198.66423	0.6
215.10689	5.5
247.60483	0.7
253.41377	0.7
295.06537	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	295.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08221	2.6
59.01246	9.7
71.12804	6.1
72.99179	2.7
83.60563	2.3
84.06933	2.9
87.00751	8.1
89.02362	3.4
96.48988	2.5
96.95885	5.3
112.98676	8.5
115.00220	2.9
119.04911	68.9
149.00789	7.1
163.03915	100.0
164.04239	3.7
215.10698	4.1
295.06610	4.9
295.10101	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	295.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.3
71.01240	4.4
71.35101	1.6
72.99162	3.6
75.00732	1.4
79.95612	2.9
80.96386	2.5
86.03183	1.2
87.00755	9.1
89.02299	4.1
96.95911	7.8
97.47477	1.2
97.75936	1.1
101.02299	2.1
103.00257	3.2
107.08675	1.2
112.98721	8.5
113.02298	1.7
119.04916	70.9
120.05234	2.0
146.86580	1.3
149.00797	9.6
159.85950	1.3
163.03912	100.0
164.04254	3.1
173.09650	2.0
215.10735	4.9
295.06467	3.5
295.10342	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	294.2074
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
50.86914	0.8
57.03312	2.6
59.01252	6.0
61.98695	2.9
66.03344	1.2
68.02404	9.4
68.04921	4.7
71.01238	1.7
71.04880	1.5
71.17960	2.3
78.95773	2.7
79.95607	1.4
84.04412	2.4
89.02296	1.4
94.02830	4.7
96.95877	3.6
98.20499	1.0
101.02300	2.0
110.06006	2.6
122.06001	2.8
133.04939	1.6
138.09142	1.8
153.12753	7.8
155.14366	1.9
169.15881	5.7
179.14311	1.4
181.15889	5.5
194.15282	1.6
195.17479	17.2
204.17502	2.9
215.10712	1.4
221.15027	1.2
222.18568	93.5
223.18930	5.7
232.20688	1.1
237.10764	1.4
250.21732	100.0
250.38083	0.9
250.88548	0.9
251.22041	6.9
294.20758	67.1
295.06674	1.7
295.10016	1.0
295.21088	3.5
305.53317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01928	0.4
57.03319	0.8
59.01252	3.7
60.84998	0.4
61.98677	0.4
67.06149	0.5
68.02412	4.1
69.52241	2.0
69.52668	1.3
71.01266	2.2
71.04923	0.5
78.95780	0.5
81.03328	0.9
85.06446	0.5
89.02315	1.0
92.52341	0.5
95.55354	0.4
97.06476	0.5
98.19732	0.7
99.00775	0.5
101.02331	0.6
103.91912	0.4
113.09542	0.4
115.03867	1.1
121.10114	2.6
123.08059	0.5
125.09602	1.0
126.16029	0.4
131.03394	0.7
149.09569	0.6
161.04337	0.6
171.10196	5.0
181.11821	0.4
181.15895	0.5
185.11807	1.4
191.14343	0.6
192.11450	0.8
193.15984	1.1
195.13860	2.0
205.12212	0.9
220.14658	2.7
221.15442	6.7
222.15857	0.5
223.13376	1.3
225.14874	0.5
235.16908	0.7
236.10492	3.5
249.22151	1.0
256.13055	0.7
273.00211	0.5
275.20129	9.1
276.20337	0.6
293.08841	1.5
293.21216	100.0
294.21503	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84251	0.6
55.33627	0.6
57.65956	0.6
59.01241	2.6
66.47509	0.8
70.61003	2.5
71.01249	0.9
91.60686	0.7
112.92020	0.7
127.07520	0.7
231.21205	1.7
234.01794	0.7
237.18463	1.0
249.22156	0.9
263.20181	16.8
264.20502	1.5
265.21576	1.1
275.20154	41.1
276.20529	4.2
291.19727	0.9
293.21231	100.0
294.21597	8.6
298.68106	0.7
310.52655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51493	1.2
56.55785	1.1
57.03312	1.5
59.01244	4.8
68.02396	1.2
71.01243	1.6
71.04890	5.5
71.06809	3.4
83.04910	1.6
96.70891	1.3
108.65502	1.1
152.63707	1.2
161.19279	1.3
177.16386	2.0
182.44617	1.3
191.17993	1.7
202.54730	1.5
209.15320	2.6
220.14603	2.3
221.15388	3.0
223.16939	7.7
225.99829	1.5
231.21147	3.8
235.16983	44.3
236.10445	2.3
254.30269	1.3
275.20132	46.4
276.20474	4.2
281.15582	1.3
293.08838	16.4
293.21219	100.0
294.21606	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.2
59.01249	3.8
68.02412	3.7
69.03326	0.5
69.91351	0.4
71.01241	1.9
72.99165	0.4
78.95764	1.2
83.04891	0.5
85.02837	0.6
89.02301	1.0
89.31431	0.3
101.02284	0.4
106.89162	0.4
107.71713	0.4
111.07986	1.3
113.09581	1.3
123.08031	0.7
131.03380	0.6
135.04317	0.4
136.08801	1.8
139.37943	0.4
151.11165	0.5
161.04466	0.5
166.90907	0.8
167.10680	0.7
171.10141	1.0
177.09064	0.8
179.14328	1.3
185.11778	0.9
192.11423	1.1
193.15929	2.8
195.13828	13.3
196.14400	0.7
205.12238	1.2
205.15961	0.9
210.89981	0.9
211.13309	0.8
219.02924	0.5
220.14629	3.4
221.15428	6.3
222.15639	0.5
223.13358	10.1
224.13840	0.9
228.13617	1.1
236.10495	5.7
239.12798	0.5
249.18517	1.2
249.22235	0.7
256.13162	2.9
265.21838	1.0
267.38458	0.5
275.20148	8.8
276.20477	0.5
293.08823	1.0
293.21207	100.0
294.21518	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.7
59.01246	6.3
59.41031	0.6
61.98710	0.9
68.02403	6.3
69.03335	0.9
70.74152	1.1
71.01247	4.6
73.02826	0.8
75.72422	0.6
76.67416	0.5
78.95753	1.5
85.02831	0.6
89.02312	1.6
93.57408	0.6
96.95908	1.3
97.06467	0.9
109.06464	1.0
113.09602	20.3
121.02839	0.9
125.09582	1.2
127.07577	0.7
135.11725	0.8
138.61096	0.6
139.11172	1.5
149.09631	1.1
151.07530	0.6
152.91655	2.5
153.09071	0.7
161.04439	1.1
166.55487	0.5
166.90956	3.5
167.10663	2.1
177.09113	1.5
177.12762	0.9
179.10690	2.1
183.13910	0.7
185.11758	0.8
192.11487	1.8
193.15826	0.7
194.92708	2.1
195.13843	2.8
205.12314	1.8
207.13930	0.7
210.89969	2.5
211.13223	0.8
219.02940	0.7
220.14610	11.9
221.15395	22.9
222.15761	1.4
232.87357	0.8
236.10492	15.6
237.10982	1.2
249.22128	1.8
271.96017	0.7
275.20026	2.0
293.08783	1.8
293.14066	3.2
293.21191	100.0
294.21448	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
59.01239	0.6
68.02401	1.1
71.01250	1.0
79.95590	2.8
83.04903	0.8
85.77448	0.4
95.95101	0.7
96.95886	100.0
101.02332	0.4
109.06452	0.5
111.08038	3.5
123.32256	0.3
127.11172	1.4
139.11182	0.4
163.11195	0.7
171.10173	5.7
183.10199	1.2
193.15811	0.4
214.37312	0.4
215.82904	0.3
220.14606	0.6
221.15373	1.5
236.10568	0.5
238.40985	0.4
249.22227	0.5
274.25107	0.4
275.20212	0.9
293.17917	75.5
293.21228	49.1
294.18228	5.8
294.21600	3.1
296.71533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21326	1.0
57.03335	5.0
57.03568	1.1
59.01239	5.2
60.39617	1.0
66.93565	1.1
69.32909	2.0
69.33324	8.5
103.83080	0.9
106.74502	1.0
113.09615	16.9
121.10126	17.5
125.09571	1.5
139.11165	2.3
171.10179	36.0
172.10527	1.9
174.09517	1.0
179.10695	2.0
183.10098	1.5
185.11777	2.3
195.13853	3.1
231.21136	2.5
235.17049	1.7
249.22240	1.5
272.24854	1.0
275.20151	41.4
276.20480	2.8
293.21219	100.0
294.21518	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71872	0.5
57.03315	0.5
59.83855	0.5
70.02483	2.1
70.02892	0.9
86.38213	0.5
97.06486	0.6
113.07328	0.5
125.09612	4.0
141.12794	1.1
149.09602	0.9
185.11746	9.0
197.11772	2.7
249.22174	1.0
275.20117	1.1
278.49518	0.6
293.21210	100.0
294.21567	8.7
308.84622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41198	0.8
57.03312	1.8
59.01255	4.1
63.16029	0.7
68.02410	5.3
69.65397	0.7
71.01243	2.3
71.57838	1.2
73.02825	0.7
87.00726	0.9
89.02296	1.3
96.95892	16.7
111.08013	1.5
113.09640	1.1
121.10118	1.9
123.07981	1.0
125.09619	3.8
131.03410	0.8
141.12688	1.4
143.21156	0.8
149.09605	1.9
161.04424	1.2
171.10146	2.0
185.11757	7.3
186.12074	0.7
192.11349	0.9
197.11705	3.0
205.12372	1.2
205.21915	0.8
219.99287	0.8
220.14702	4.0
221.15392	6.9
236.10463	5.5
275.20270	4.1
293.08673	2.0
293.17886	12.1
293.21173	100.0
294.21484	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01243	5.4
61.98673	0.8
68.02406	7.2
71.01234	2.8
71.58688	1.5
73.02816	0.7
75.04950	0.7
78.95778	1.0
87.00768	0.8
89.02303	1.3
103.97841	0.6
104.64520	0.7
105.51043	0.7
123.07949	1.1
131.03386	1.0
136.08752	0.6
139.11221	0.9
151.11179	2.0
152.91708	1.1
153.09172	1.0
153.12709	0.9
161.04456	0.8
166.90952	2.1
169.12199	3.0
192.11377	1.1
193.15889	2.5
194.92712	1.6
197.11754	37.4
198.12029	2.2
210.34552	0.7
210.89943	2.3
213.14738	0.7
220.14586	3.2
221.15373	8.2
231.21127	1.5
236.10469	5.9
249.18524	0.9
271.76352	0.7
275.20135	18.7
276.20483	1.9
293.17731	3.1
293.21194	100.0
294.21481	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88065	0.8
57.03319	0.7
59.01247	0.8
69.27288	1.1
69.27467	1.2
69.27880	6.5
69.28185	0.8
80.77331	0.8
95.73032	0.8
96.67938	0.8
128.64476	0.8
141.21556	0.8
179.14288	1.3
195.13835	15.1
196.14427	2.0
205.12421	1.4
211.23976	0.8
223.13348	12.8
228.13475	2.0
256.13159	4.5
275.20135	11.0
276.01047	0.8
293.21234	100.0
294.21646	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	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07010	0.2
51.20358	0.2
59.01247	0.4
68.02414	0.3
69.93851	0.7
69.94259	0.5
71.01238	0.3
79.95604	2.2
90.04973	0.2
95.95136	0.8
96.95889	100.0
103.84207	0.3
107.29176	0.2
149.60924	0.2
220.14664	0.3
221.15459	0.8
236.10474	0.4
293.17926	71.9
294.18185	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	293.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03600	0.3
57.40655	0.3
61.90002	0.3
68.02377	0.3
72.20728	0.3
79.95602	2.2
93.59856	0.3
95.95140	0.6
96.95885	100.0
97.66508	0.3
100.37434	0.3
100.50243	0.3
138.38924	0.3
200.70897	0.3
221.15326	0.4
236.10533	0.6
284.93073	0.3
293.17914	76.4
294.18234	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31948	1.1
59.01240	3.3
61.10753	1.3
63.24739	1.1
70.44804	4.2
77.73566	1.0
115.88965	1.0
121.10116	51.9
121.50017	1.1
122.10452	1.8
125.09615	1.9
157.20984	1.1
171.10184	80.2
172.10515	4.1
177.16263	1.8
183.13852	2.0
185.11711	4.9
197.11806	1.9
231.21123	6.7
275.20132	100.0
276.20514	8.8
293.21210	66.7
294.21616	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Discosiolide
Peak:m/z	Relative Intensity
52.36146	0.4
55.01740	0.5
59.01245	2.9
61.98677	0.8
68.02400	4.9
71.01251	2.9
71.58351	0.6
71.58723	0.7
73.02835	0.5
75.03566	0.5
78.95772	0.7
79.95653	0.5
85.02818	0.6
89.02319	1.3
96.95912	0.8
98.61581	0.5
99.00754	3.8
109.06441	0.5
112.88054	0.5
131.03346	0.6
135.11685	0.6
136.08832	45.8
137.09122	1.2
152.91634	1.6
157.08575	1.4
161.04434	0.8
166.90999	3.7
177.09148	3.1
183.13834	4.3
192.11472	29.2
193.12070	1.9
193.15895	100.0
194.16217	5.0
194.92725	1.3
205.12367	0.8
210.90005	3.3
211.13290	1.4
220.14589	4.8
221.15413	9.8
221.18799	0.5
232.87189	0.6
236.10509	7.2
249.18562	30.6
250.18950	2.5
275.20032	3.0
284.41522	0.5
293.08789	1.5
293.17566	39.8
293.21173	18.2
294.17908	3.2
294.21625	1.6
298.54987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51962	0.2
56.10569	0.2
56.45473	0.2
59.01256	0.4
68.02409	1.0
70.45591	0.8
71.01250	8.5
78.95765	0.5
98.20480	0.2
101.02328	0.2
101.38785	0.2
127.07549	0.6
148.05193	1.2
151.07582	0.7
152.91588	0.2
164.08340	1.4
166.90967	0.8
177.09117	5.6
178.09485	0.3
181.07178	0.2
190.09964	0.3
190.54106	0.2
192.11488	6.5
193.11969	0.8
194.92789	0.3
195.13879	0.3
205.12282	6.9
206.12685	0.5
207.13802	1.8
210.89859	0.3
217.08614	0.4
218.09435	2.3
220.14635	48.3
221.15410	100.0
222.13710	0.4
222.15770	6.6
231.02852	0.2
235.13359	1.3
236.10497	73.0
237.10898	4.1
253.14604	0.4
275.20184	0.4
293.08981	0.3
293.14233	0.4
293.17578	7.8
293.21204	2.9
294.17810	0.6
294.21307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
56.67104	1.3
58.40422	1.5
59.01245	8.2
59.80128	1.3
68.02405	10.2
68.45264	1.5
69.03344	1.7
69.55551	1.4
69.55883	9.7
71.01225	3.4
72.99173	5.0
78.95768	2.2
79.05421	2.1
83.04896	1.8
87.00756	5.8
89.02276	2.0
91.05408	3.8
96.95945	2.9
97.06466	1.9
109.02824	5.6
111.04400	10.3
112.98712	1.7
119.08559	4.8
121.02825	2.5
121.06480	1.6
123.04391	4.7
133.02837	4.9
134.03635	33.2
135.04414	26.8
136.04811	2.1
137.02316	6.1
137.05965	2.8
139.00258	4.1
151.03876	4.5
152.91698	1.7
157.10184	2.6
159.04350	2.0
161.02328	9.8
163.03909	9.6
166.91016	1.4
171.11613	2.0
173.02315	2.5
173.13284	20.2
178.02649	11.3
179.03485	10.5
179.04834	2.0
187.11305	2.4
191.03415	5.9
199.11191	8.7
205.15991	1.9
217.12270	59.3
218.12636	4.9
219.02914	20.7
221.11722	2.0
221.15317	2.5
231.02911	1.7
231.13860	3.7
249.14919	100.0
250.15332	7.5
261.11285	2.6
275.09348	2.3
275.13019	5.6
275.51398	2.0
293.03009	11.7
293.10471	5.7
293.13937	84.5
293.17197	3.2
293.21014	2.8
294.14227	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
58.00463	1.3
59.01247	38.6
59.56598	0.5
68.02404	1.1
70.88497	1.3
71.01249	20.3
72.99178	2.2
73.02820	1.6
83.01239	1.9
84.92216	0.6
85.02825	5.2
85.06458	19.7
87.00749	4.0
88.67049	0.6
89.02309	18.8
94.59994	0.5
95.01264	1.4
96.95867	2.5
99.00760	1.0
99.08059	0.7
101.02317	14.2
106.12460	0.6
113.02323	8.3
113.05997	4.0
115.07543	3.0
119.03381	8.1
127.07533	1.3
131.07025	70.5
132.07364	2.4
156.39037	0.5
157.06445	0.6
161.04500	0.6
173.08096	1.5
179.05412	0.9
187.07571	1.3
194.99382	0.7
205.08841	1.1
219.02866	0.8
231.10181	0.7
253.49382	0.6
267.69424	0.6
293.12408	100.0
294.12793	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31178	0.9
55.54184	1.1
57.77077	1.2
58.00440	1.7
59.01250	34.9
60.40891	1.0
63.60817	0.9
67.96435	1.0
68.02405	5.1
69.26488	9.1
69.26895	2.1
71.01247	22.5
72.99186	2.4
73.02823	1.3
83.01221	1.7
85.02824	3.8
85.06459	12.1
87.00754	2.8
89.02315	21.8
91.44671	1.2
96.95898	1.4
98.19750	2.5
101.02326	12.4
113.02303	7.7
113.05962	4.2
115.07536	2.0
119.03369	7.7
127.07523	1.6
128.03441	1.4
131.07028	58.8
132.07375	1.3
148.93066	1.1
163.03847	1.3
164.07129	1.6
165.44240	1.3
173.08073	1.6
179.05551	1.3
196.64096	1.2
217.72343	1.1
219.02866	1.5
219.80725	1.2
258.81250	1.2
293.12411	100.0
294.12747	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96392	0.6
54.28973	0.6
54.94380	0.9
55.01748	0.9
57.03321	1.1
59.01251	14.4
67.01752	0.8
68.02404	3.0
69.03323	1.2
70.92348	1.8
71.01264	5.3
72.99178	14.6
73.02818	36.0
75.00728	1.1
81.03328	1.0
83.01270	1.0
83.04854	1.0
85.02825	7.2
89.02291	1.1
93.03350	0.7
93.47666	0.6
95.04873	1.0
96.95887	1.4
97.02843	0.8
97.28263	0.7
99.00742	1.1
101.02322	64.5
102.02657	1.2
103.00249	96.3
107.04887	1.0
111.04402	1.9
113.02320	6.2
114.54637	0.7
119.04931	1.1
119.08548	1.5
120.05695	10.8
121.06489	8.7
123.04408	1.3
129.01860	1.2
133.06503	1.0
134.03654	1.3
135.04420	2.9
135.08054	100.0
136.08411	2.8
139.00258	0.8
143.08546	1.4
145.06473	1.0
147.08058	11.4
147.09129	0.8
148.05199	1.5
157.06522	0.9
159.08028	0.8
161.02318	1.1
161.04480	1.5
161.09633	5.0
163.03899	1.9
163.07565	12.6
170.07257	0.7
171.08052	14.5
173.05977	2.1
173.09619	4.5
174.06653	0.7
175.07527	1.6
185.09642	6.2
186.06726	0.9
187.07614	1.3
189.09129	8.4
191.03375	0.7
193.08749	0.9
198.06754	0.8
201.09161	1.6
203.10727	3.0
210.91383	0.7
213.09161	24.0
214.09502	1.1
219.02991	2.5
229.08775	1.3
231.10205	8.3
247.09703	1.4
249.11340	2.2
274.70169	0.7
275.09332	1.4
293.03168	2.2
293.10300	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	293.1032
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
55.01765	1.1
55.93295	0.6
57.03320	2.0
58.00458	0.9
58.02821	0.6
58.42865	0.6
59.01250	15.1
60.01600	0.6
68.02407	1.8
69.03311	1.5
71.01247	5.0
71.57338	0.6
71.57721	1.0
72.99180	13.7
73.02817	35.7
75.00734	1.1
81.03343	1.4
83.01270	1.2
84.04438	0.5
85.02825	7.7
87.00735	1.3
88.75982	0.5
89.02290	0.9
95.01279	0.9
95.04894	1.0
96.95868	1.7
97.06460	1.0
101.02322	67.6
102.02676	1.3
103.00248	100.0
104.00561	1.2
107.04906	1.9
109.02841	4.7
113.02325	4.8
117.61679	0.6
119.04876	1.0
119.08549	1.1
120.05705	10.1
121.06480	8.4
123.04418	1.4
128.03418	0.9
129.01842	0.8
133.02849	1.3
134.03635	27.5
135.04459	8.0
135.08051	98.0
136.01532	2.1
136.08430	2.9
137.02362	3.1
138.02699	0.7
143.08566	0.9
145.06514	0.6
146.05986	0.9
147.08054	9.5
148.05193	1.6
151.03908	3.0
154.43602	0.6
159.04422	1.3
159.07990	1.0
161.02373	1.1
161.04512	0.7
161.05836	0.8
161.09630	7.4
162.05542	0.9
163.03897	1.5
163.07545	12.0
164.03450	0.7
171.08063	13.6
172.05228	0.6
173.05981	1.9
173.09647	4.4
175.07584	2.2
177.01889	1.5
178.02625	5.2
179.03357	2.0
185.09666	7.1
187.03938	0.8
187.07596	2.3
189.09123	7.1
190.05054	0.9
190.09456	0.8
191.07100	1.0
198.06795	1.4
201.09134	2.5
202.09624	0.7
203.10757	3.7
206.04689	1.0
208.42636	0.6
209.28206	0.6
213.09152	26.1
214.09462	1.2
216.07768	0.7
219.02951	2.9
229.08723	2.0
231.10234	11.5
232.10709	1.2
247.09723	2.1
249.11290	2.3
257.08365	0.6
275.09250	3.0
283.26846	0.6
293.03198	1.5
293.10373	24.3
293.21219	0.6
294.10626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30805	1.1
57.03305	2.6
59.01253	19.4
65.48604	1.1
68.02412	3.3
69.19910	1.3
69.90394	2.1
69.90810	4.6
71.01254	6.7
72.99173	10.0
73.02818	37.6
75.00752	1.6
80.96399	3.1
81.03310	1.5
85.02834	8.1
87.00766	2.8
95.01292	1.4
96.95912	2.6
97.02837	1.8
97.06508	1.6
101.02321	56.3
103.00250	78.7
107.83281	1.4
108.02019	1.5
109.02841	15.1
111.04414	4.5
113.02341	5.4
119.04973	1.3
120.05702	10.1
121.06473	5.6
128.03412	1.8
133.02859	2.2
134.03635	38.9
135.04439	14.6
135.08054	100.0
136.01556	5.0
136.08395	3.2
137.02332	6.5
139.00253	1.4
139.03894	2.3
147.08060	7.9
149.06018	1.3
151.03906	7.3
161.02309	2.4
161.09634	6.1
163.03860	1.8
163.07549	12.3
171.08093	13.4
172.08455	1.2
173.05998	1.8
173.09598	4.3
175.07587	3.0
177.01819	2.6
178.02589	5.9
179.03369	3.1
185.09630	3.6
187.07632	2.7
189.09109	5.6
190.05054	1.9
191.03392	2.5
198.07068	1.1
199.48972	1.3
203.10646	3.4
206.04428	2.3
213.09146	18.3
219.02896	6.1
221.07973	1.4
229.08725	2.0
231.10162	12.3
232.10486	1.5
245.08145	1.9
247.09720	2.2
249.11386	2.7
275.09186	4.7
293.03018	3.6
293.10312	22.2
294.10999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.12234	0.6
58.02845	1.2
59.01249	7.2
68.02407	16.8
70.37418	1.6
71.01243	2.0
71.04173	0.5
71.04878	1.7
77.97023	0.5
78.95778	1.0
79.95612	1.2
88.67898	0.6
94.02580	0.6
96.95908	0.6
97.06474	0.9
103.91881	0.7
108.04413	0.7
125.09641	0.6
131.96823	0.5
152.91689	2.0
156.13838	100.0
157.14171	3.9
161.02296	0.6
161.04446	1.0
166.90984	6.0
185.11705	1.1
191.95636	0.6
192.11475	1.0
194.92776	1.7
200.12854	5.9
207.96732	0.7
210.89973	5.0
212.93724	0.7
220.14621	4.5
221.15416	10.0
234.15640	1.3
236.10471	6.7
248.21039	0.7
250.88531	0.9
274.18933	1.4
292.19998	16.5
293.08792	1.8
293.17755	2.0
293.21176	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	293.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89323	1.3
59.01235	3.9
68.02400	3.2
68.99681	5.7
69.03316	1.6
69.03695	1.3
69.92383	6.4
71.01245	2.1
72.99174	4.2
77.11524	1.4
79.95625	1.5
87.00752	8.4
87.42751	1.4
95.42567	1.4
96.95900	3.3
96.99190	3.1
99.00777	1.4
101.02339	2.2
107.04879	2.0
107.28899	1.3
109.02829	23.9
111.00783	2.3
112.98672	4.7
118.19702	1.3
119.04903	1.7
121.02859	3.1
123.04349	1.6
133.02855	10.2
134.03661	1.8
135.04430	37.0
137.02327	11.8
139.00282	21.3
142.26895	1.4
145.02841	5.3
147.04410	5.4
149.02332	1.4
151.03903	2.2
159.04414	7.9
161.02342	32.2
163.03915	45.4
164.04225	1.4
173.02448	7.2
177.05479	5.8
179.03378	4.1
187.03983	6.4
187.07567	5.6
191.03438	29.5
201.01752	1.6
203.03322	1.8
203.10773	1.9
219.02937	100.0
220.03284	3.8
226.84433	1.3
231.02959	17.6
231.10236	4.7
240.58199	1.5
275.01932	5.9
275.09372	7.3
293.03021	58.6
294.03491	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	291.2328
Annotation	Hydroxysteroid
Peak:m/z	Relative Intensity
57.03314	2.5
58.00459	7.6
59.01241	7.9
68.02406	27.0
68.90496	1.6
69.03329	3.4
69.43149	4.2
69.43555	11.0
71.01248	4.9
73.02818	39.1
79.95614	6.0
80.02531	1.7
83.04894	3.7
84.02041	6.5
85.02810	2.7
85.06474	2.0
95.04916	2.2
96.95892	2.3
97.06474	6.5
99.08009	2.3
111.08024	4.2
113.09573	2.0
121.02847	7.6
121.10103	5.0
125.05959	3.6
125.09612	2.9
134.07661	2.3
139.07516	5.6
139.11166	2.2
151.11162	2.2
155.14330	2.2
165.12747	5.3
185.11757	4.8
187.61159	2.0
209.04504	4.5
244.79770	2.0
247.20702	4.5
255.21185	4.0
261.22177	4.0
263.23807	12.0
273.22208	27.6
274.22327	2.3
291.04059	2.0
291.16440	3.3
291.19653	87.3
291.23267	100.0
292.19977	9.0
292.23700	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65018	0.5
58.02859	0.7
59.01243	4.4
68.02403	20.1
69.88613	1.8
69.89040	1.5
71.01253	2.3
74.12113	0.5
78.95773	1.4
79.95628	0.9
85.02830	0.7
89.02293	0.8
98.19807	1.0
104.34634	0.5
108.66118	0.7
112.92706	0.6
113.02258	0.6
117.05537	0.5
117.56612	0.5
124.12487	0.6
152.91656	1.9
156.13844	100.0
157.14206	4.0
161.04430	0.7
166.90984	3.8
172.95367	0.9
177.09135	0.6
194.92793	1.8
200.12863	6.3
205.12239	0.7
210.89923	3.2
211.96262	0.6
212.93855	0.6
220.14642	4.8
221.15417	9.1
232.87502	1.1
236.10487	7.8
292.19928	3.5
293.03110	1.0
293.08844	0.7
293.17694	2.6
293.21201	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	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.56794	0.4
57.03329	2.1
59.01251	6.8
68.02410	8.6
69.03309	1.0
70.84904	0.8
70.85224	0.5
71.01249	0.5
71.04891	1.6
75.00718	0.4
80.02527	0.4
80.40558	0.4
81.03323	0.6
83.04906	1.2
85.06470	0.5
93.03361	0.6
96.95911	0.7
97.06466	1.2
107.04932	0.4
107.08555	0.6
109.06480	2.2
111.08090	0.9
119.04889	0.7
121.02851	3.0
121.10117	0.8
122.03194	0.5
125.09620	9.2
135.08066	1.0
137.09612	2.3
139.07468	0.4
147.63658	0.4
151.11194	2.2
153.09084	1.1
153.12764	1.3
155.10614	0.6
156.13855	22.7
163.11188	2.4
165.09137	1.2
165.12782	1.0
177.12755	0.7
179.14493	0.4
181.12276	3.6
193.15945	0.4
197.11810	1.1
200.12851	0.8
208.93102	0.5
209.04507	1.5
219.17497	0.4
229.19579	1.0
233.15417	0.9
247.20645	6.0
263.19897	1.0
273.18637	3.4
291.19662	100.0
292.19983	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64635	1.4
57.03298	2.1
59.01250	14.5
68.02405	36.7
71.01239	1.9
71.04865	2.1
95.04892	4.1
97.06479	14.6
107.04903	1.4
111.08011	5.0
113.09599	3.1
121.02836	11.6
121.10146	4.0
122.80512	1.5
125.09622	1.3
143.07030	22.7
144.31564	1.6
147.11688	23.5
149.13213	3.2
152.08026	1.5
157.08577	7.6
169.08603	2.1
171.10210	1.6
175.14908	2.2
185.11694	4.1
195.13742	2.3
208.93054	4.0
209.04507	6.9
229.19569	7.9
247.20679	3.2
254.85478	2.1
273.18594	16.4
274.18848	2.1
282.53482	2.1
291.19641	100.0
292.19946	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.13210	0.3
52.24409	0.3
59.01235	0.6
68.02406	1.8
70.60016	1.5
73.02818	59.2
74.03141	0.6
75.29933	0.4
79.86739	0.4
110.91277	0.4
118.26077	0.4
121.02827	0.8
259.69791	0.5
291.19653	100.0
292.19992	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	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.22111	0.3
56.78445	0.4
57.03310	1.4
57.79170	0.3
59.01245	5.0
65.37616	0.3
66.42113	0.3
68.02403	7.3
69.03329	0.4
71.01272	0.5
71.04902	0.6
71.14305	0.9
83.04893	0.9
93.06958	0.5
95.04884	1.0
96.95874	0.5
97.06456	0.9
109.06496	0.7
111.08029	10.6
112.08377	0.4
113.09613	0.8
119.04918	0.5
121.02821	2.7
121.10101	4.1
123.07978	0.4
125.09595	2.4
135.04454	0.4
135.11703	0.6
137.09608	0.7
141.12685	0.4
149.09587	0.5
163.11124	0.4
167.10677	1.3
177.12758	1.7
179.10684	1.4
185.11737	4.1
195.13853	6.7
196.14197	0.4
197.11787	0.9
203.14482	0.4
207.96576	0.4
208.92996	0.7
209.04459	1.3
209.11809	0.4
247.20627	2.5
263.20197	0.6
273.18564	1.4
280.97043	0.4
291.09106	2.6
291.19641	100.0
292.09094	0.4
292.19968	8.2
312.09409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
58.88609	0.5
65.43073	0.5
67.05407	0.7
71.06579	1.5
71.45220	0.5
83.04858	0.7
93.06976	1.5
95.04913	0.6
97.06458	2.1
119.08562	0.5
121.09265	1.0
121.10120	17.4
121.10989	1.0
122.10453	0.6
123.08041	1.8
125.09608	8.5
139.95242	0.5
141.12784	1.5
165.12770	0.6
171.10075	0.8
185.11751	16.9
197.11746	5.0
209.11789	1.7
211.13307	1.7
223.13406	0.8
247.20694	1.0
273.18619	1.1
291.19650	100.0
292.19955	9.2
310.47522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.01923	0.3
59.01233	1.2
68.02415	1.7
69.25887	2.4
69.26291	0.6
71.01224	0.4
80.02546	0.3
80.96344	0.3
95.04897	0.6
97.06448	0.8
106.04083	0.3
116.27489	0.3
119.04897	0.5
121.02831	0.6
123.08070	0.4
125.05991	0.6
148.08818	1.1
150.10361	1.0
151.11177	0.7
163.11208	1.0
165.12750	19.8
166.13104	1.0
175.11157	0.8
176.11952	0.8
177.12701	0.5
179.14253	0.4
191.14291	0.9
193.12245	2.8
194.12852	0.3
209.04500	0.4
217.15894	0.6
221.11931	0.4
229.19521	0.9
245.19064	0.6
247.20615	10.1
248.20969	0.9
273.18579	7.1
273.21378	0.6
274.18845	0.5
291.19635	100.0
292.19983	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.03906	2.9
53.14222	2.1
57.24778	2.4
59.01230	9.8
68.02399	21.8
71.01260	2.6
71.57169	5.6
73.02785	4.3
83.50768	2.9
97.06464	77.7
97.07098	3.9
99.07983	2.6
114.49889	2.5
121.02779	6.2
171.10170	7.9
171.56422	3.4
183.13892	3.4
193.12259	24.4
209.04477	4.2
211.13344	50.3
212.13670	3.6
263.19971	3.0
273.18671	5.1
291.19656	100.0
292.20023	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10300	0.5
55.01756	0.9
57.03310	0.6
59.01250	5.9
68.02411	7.4
69.03304	0.8
70.26410	0.5
71.01277	0.9
71.04892	31.1
71.52931	0.9
72.05213	0.8
79.95612	0.8
83.04887	0.9
97.05873	0.9
97.06473	10.8
121.02863	2.5
121.10097	0.9
123.08044	0.9
124.29381	0.5
133.06468	0.9
148.74124	0.5
157.12267	0.5
163.14795	1.0
175.14807	0.8
181.12250	1.7
190.09894	0.5
193.12248	0.6
195.13850	1.4
207.13867	3.1
208.93065	0.7
209.04437	1.7
213.14679	0.5
217.15825	0.7
219.13846	3.5
233.15356	1.0
235.16963	3.1
236.17160	0.5
247.16943	0.9
247.20677	3.1
273.18549	1.9
273.36823	0.5
291.19659	100.0
292.16693	0.8
292.20047	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.81314	0.5
59.01253	1.2
69.65066	2.2
71.04899	0.5
77.30660	0.4
88.36529	0.4
109.38942	0.5
109.62064	0.4
150.73259	0.4
182.26863	0.4
229.15915	4.1
230.16302	0.7
257.15442	8.1
258.15680	0.8
289.18091	100.0
290.18469	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	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90628	0.7
59.01245	0.8
63.25764	0.6
68.02422	4.1
78.19844	0.6
80.90495	0.6
85.02834	1.6
85.34290	0.6
93.03326	0.6
96.95897	2.0
98.24475	0.6
115.43052	0.6
117.03348	2.9
119.04920	100.0
120.05276	3.2
145.02855	6.8
163.03925	90.0
164.04247	3.8
175.02734	0.8
176.03401	1.0
192.34283	0.6
199.72243	0.6
202.47748	0.8
211.84306	0.6
247.84135	0.8
273.07852	1.1
291.08746	8.8
298.96542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1654
Annotation	oscr#14
Peak:m/z	Relative Intensity
50.06079	0.6
55.01742	1.6
57.03316	9.2
59.01249	100.0
60.01593	0.9
68.99686	1.4
71.01248	1.6
71.04903	0.9
71.58083	0.8
81.03337	1.0
83.01240	2.4
83.04896	5.3
84.02039	4.8
85.02820	76.2
86.03163	1.0
87.00750	1.3
91.05397	0.9
93.03326	0.6
96.95903	0.9
97.06477	1.1
99.00805	0.6
99.08044	1.2
101.05921	0.7
102.14285	0.6
109.02820	0.7
109.06466	2.7
111.04398	4.5
111.34628	0.6
127.07496	0.7
127.84912	0.6
129.09114	1.2
135.04408	3.1
179.03397	2.0
179.06955	0.6
191.14345	1.5
198.62144	0.6
209.15541	0.9
245.04474	0.7
271.15564	3.2
274.07730	0.6
285.66284	0.7
289.16553	62.2
290.16925	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	289.0719
Annotation	Altenusin
Peak:m/z	Relative Intensity
57.03313	0.5
59.01240	2.8
63.46742	0.7
69.94345	3.2
71.01226	0.7
72.99156	0.9
73.98181	0.6
96.95883	1.4
98.20515	1.1
131.22672	0.5
142.13026	0.6
146.03596	0.7
152.43860	0.7
153.12814	0.9
158.03586	1.0
159.04431	3.3
160.05229	5.6
161.06009	6.7
171.65662	0.6
172.05260	0.6
173.06020	0.7
174.03102	0.9
185.06113	0.8
187.03957	1.3
188.04549	0.9
197.11778	0.7
200.04747	0.7
201.05461	2.1
211.03886	1.3
212.04704	5.5
213.05495	2.8
215.12830	2.4
227.03452	0.8
227.07095	2.5
228.04214	4.0
229.05008	20.5
230.05785	44.5
231.06104	1.8
243.06596	1.9
244.06888	0.9
245.08153	100.0
246.08508	5.9
271.06082	7.4
289.07181	71.2
289.18076	5.2
290.07553	4.5
294.97485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.52787	0.3
59.01245	5.5
62.34200	0.3
70.86576	0.8
81.03316	1.3
92.04941	1.4
93.03342	1.7
95.01321	0.3
99.64619	0.2
99.92455	0.4
107.03655	0.5
108.02020	0.6
108.04434	4.9
109.02827	5.5
109.04778	0.3
121.02882	0.5
121.56674	0.3
124.01498	0.5
133.72351	0.3
134.02365	38.9
135.03174	9.6
136.03934	38.9
137.02322	1.4
137.04268	0.8
148.03943	1.0
149.04698	1.0
168.13867	0.4
176.03436	4.3
177.04173	0.6
181.03699	0.4
190.04993	0.3
204.06564	0.5
227.97263	0.3
271.03143	0.3
288.16028	100.0
289.16275	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
53.69000	0.2
54.31976	0.1
56.28211	0.2
57.03333	0.2
58.63424	0.1
58.87908	0.2
59.01255	2.1
69.43923	1.3
70.53364	0.1
70.75448	0.2
76.51624	0.1
95.04897	0.2
96.24573	0.1
96.95905	0.2
97.06487	0.3
99.08028	1.4
109.06458	0.5
111.08086	0.3
113.09582	0.3
123.08020	0.3
125.02318	0.3
127.11152	0.4
129.09079	0.5
139.11169	0.3
141.12747	1.9
155.14264	0.5
184.02942	0.1
185.11658	0.2
198.74898	0.1
211.20575	0.4
213.14899	0.4
223.20589	0.3
239.20143	0.4
241.21645	1.2
243.17496	1.1
251.19968	0.2
257.00940	0.3
267.19824	0.2
269.18298	0.2
269.21222	3.2
270.21429	0.4
285.20691	1.7
287.05322	0.5
287.07626	0.6
287.16748	3.1
287.22256	100.0
288.22610	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	287.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14077	0.6
59.01246	7.0
60.48016	0.5
61.01679	0.5
66.13168	0.6
70.86402	0.9
70.86737	1.2
70.97951	0.5
74.96941	0.5
78.95750	2.7
93.50193	0.6
96.95871	2.4
113.09605	3.9
117.06882	0.5
118.99075	0.5
125.09583	1.0
127.11183	2.9
141.09045	0.9
143.10680	2.6
155.10667	1.7
166.72362	0.5
166.95387	0.5
171.10156	1.3
180.92203	0.5
201.11259	1.1
240.74599	0.5
251.20122	1.2
267.19675	0.9
269.21219	8.5
270.21439	0.7
283.18863	0.5
285.20697	4.7
287.22272	100.0
288.22601	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	287.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.2
58.00462	0.2
59.01250	1.5
59.81665	0.2
69.59538	0.4
69.59946	1.0
78.95773	0.3
85.02838	0.4
86.03584	0.2
87.04398	2.4
96.95894	0.5
98.89327	0.2
124.11892	0.2
158.09602	0.2
168.91342	0.1
181.15892	0.3
183.17494	1.0
199.16989	0.8
211.16957	0.9
211.20647	0.4
221.42673	0.2
223.20650	0.2
227.16476	2.9
227.97276	0.2
228.16829	0.2
241.21779	0.5
251.20110	1.6
255.19707	0.2
257.17523	0.5
267.19684	1.4
269.21231	9.5
270.21643	0.8
283.19119	0.8
285.20734	8.6
286.20978	0.5
287.22278	100.0
288.22629	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03077	0.2
57.03325	2.1
58.00469	0.3
59.01258	1.1
67.52309	0.2
70.29874	0.5
78.28813	0.2
78.95769	0.3
85.02813	0.4
87.04390	3.0
98.19917	0.2
124.59348	0.1
181.15948	0.2
183.17491	1.5
186.51433	0.2
199.16949	0.6
211.17024	0.8
211.20647	0.3
213.18483	0.2
227.16508	1.7
239.20033	0.3
241.21591	0.3
250.96385	0.1
251.20129	1.5
255.19592	0.2
257.17529	0.4
267.19720	1.2
269.21216	12.0
270.21561	0.8
283.19168	0.5
285.20718	5.1
286.21042	0.3
287.22244	100.0
288.22607	8.4
291.47714	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01247	100.0
60.01581	0.6
64.32037	0.5
71.13454	0.8
71.13804	1.2
96.95855	0.6
99.04395	1.8
135.04463	0.6
165.12849	1.0
167.10663	1.0
173.15758	0.5
174.11708	0.5
189.12836	0.5
207.13835	2.4
209.11746	7.5
225.14864	6.5
227.12823	48.2
228.13196	2.6
251.12798	1.8
269.13919	14.3
270.14090	0.6
287.14975	75.9
288.15302	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10748	0.3
51.71536	0.3
53.44329	0.3
57.03322	1.0
59.01249	100.0
59.60670	0.3
60.01588	0.8
60.99195	0.3
69.59073	2.5
73.02834	0.4
77.10851	0.3
80.44313	0.3
96.95820	0.4
97.06428	0.6
99.04391	2.3
111.08013	0.4
112.61117	0.3
165.12682	1.6
167.10670	0.8
169.41611	0.3
207.13858	3.7
209.11778	8.0
210.12160	0.5
225.14935	7.0
227.12836	61.7
228.13135	3.1
251.12804	2.4
269.13919	18.6
270.14365	1.1
287.14987	94.3
288.15323	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.15148	0.3
59.01239	1.4
59.34145	0.3
61.98680	0.3
64.70999	0.3
70.02847	0.8
70.51144	0.3
70.71809	0.3
70.80424	0.7
74.05971	2.1
78.95755	0.9
111.00035	0.3
117.06998	0.9
118.04990	1.5
167.41779	0.3
201.49232	0.3
221.99257	0.3
226.92622	0.4
229.66022	0.3
240.23308	3.7
242.21216	1.6
247.88814	0.3
256.90878	0.3
268.22781	1.0
284.81235	0.3
286.23859	100.0
287.16660	0.3
287.24261	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Swertinin
Peak:m/z	Relative Intensity
54.37485	0.4
56.15639	0.5
59.01260	1.9
59.50336	0.4
60.71373	0.4
69.48265	3.9
151.11163	1.4
158.03600	3.3
158.09105	0.5
159.04416	15.7
160.05096	1.4
161.02333	1.5
167.04926	0.8
172.05190	6.4
174.03130	1.4
182.03702	2.3
183.04433	7.3
184.05232	5.4
198.03087	1.2
199.03900	3.9
200.04694	4.1
204.04207	1.8
210.03168	3.8
211.03941	36.9
212.04265	2.3
213.11266	0.5
215.03267	0.6
215.06995	0.5
216.32187	0.5
226.02646	1.5
227.01692	0.8
227.03435	42.4
228.04208	89.0
229.04575	5.4
235.82440	0.6
241.04942	1.4
241.56987	0.5
243.06570	100.0
244.06900	6.3
246.97142	0.5
255.12364	1.1
264.75888	0.5
269.04709	0.8
287.05579	22.5
287.14871	0.6
288.05997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.15
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.97365	0.2
57.03321	0.9
59.01249	100.0
60.01587	0.6
60.99179	0.6
63.32861	0.2
96.95855	0.3
97.06482	0.7
99.04391	2.4
109.06464	0.7
151.87062	0.3
165.12781	1.9
167.10655	0.6
183.13795	0.4
189.12865	0.3
207.13858	2.7
208.14165	0.3
209.11755	7.7
225.14903	5.3
226.15282	0.4
227.12834	43.9
228.13213	1.9
251.12849	1.0
269.13953	13.4
270.14322	0.7
287.14990	64.1
288.15363	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	285.207
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
59.01254	9.7
62.58123	0.7
70.74215	2.4
74.05958	0.8
78.95767	3.0
82.08392	0.7
83.04900	0.9
95.04890	0.7
97.06440	8.2
97.49999	0.7
99.08050	4.4
111.08040	0.9
113.09584	1.3
115.49294	0.7
123.04389	3.3
125.05950	3.4
127.07539	0.9
133.02859	1.0
137.05989	2.0
139.11192	1.7
141.12732	6.4
143.07039	30.0
143.10703	0.9
144.07410	1.2
145.00604	0.7
152.91713	1.9
155.07033	2.0
173.08128	3.0
174.99113	1.9
202.98619	5.1
203.02248	2.2
217.00238	1.8
221.18922	0.9
223.20659	1.1
226.11064	0.8
240.23273	1.4
241.13513	1.2
249.18581	6.8
250.18840	0.7
267.19635	8.9
274.60904	0.9
285.04099	3.9
285.20715	100.0
285.27206	2.4
286.21005	7.1
286.23849	38.8
286.26996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.13852	0.4
53.82281	0.3
57.03319	1.5
59.01253	3.8
61.64029	0.3
61.98687	0.4
71.04888	0.4
71.58131	0.5
78.95775	3.3
96.95889	1.4
97.06455	1.3
99.08021	0.4
109.06454	0.8
111.08065	0.5
113.09634	0.5
123.04397	1.4
133.02814	0.4
139.11162	1.7
141.12753	0.8
152.91692	0.9
155.14297	2.6
160.97575	0.5
167.14368	0.6
169.15837	0.7
174.99110	0.9
186.95480	0.5
202.98643	1.8
203.02258	0.7
211.13377	0.4
211.20609	0.5
217.00456	0.7
221.19084	1.2
239.20033	1.4
256.88223	0.5
265.18085	0.7
267.19608	1.2
285.04053	1.2
285.20691	100.0
286.21033	8.6
286.24216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1131
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
55.01762	1.5
59.01236	1.8
65.03837	1.5
69.03318	1.2
71.01240	1.1
71.34558	2.0
79.05384	5.5
81.03329	3.6
83.01253	13.4
83.04858	1.3
91.05381	1.3
93.03329	2.9
95.04896	7.3
97.02833	1.2
104.22916	1.1
105.06954	1.6
107.04900	2.1
108.02043	3.9
109.02836	13.8
111.04385	1.2
117.06980	2.4
119.04914	1.1
121.02863	9.9
121.06474	1.3
122.03512	1.1
123.04409	21.5
125.05933	1.2
133.06491	1.5
135.04391	3.0
135.08029	3.4
137.05940	3.1
145.02579	0.9
145.06427	1.1
145.10103	1.2
147.04326	1.4
147.08089	1.9
149.05959	2.2
149.57521	0.9
157.06488	1.5
157.10146	2.6
160.05186	2.0
161.05974	7.5
163.07571	18.9
164.07791	1.2
169.10048	2.1
171.08075	1.4
171.11722	3.6
173.05992	3.6
175.07474	1.9
177.09142	2.2
181.10097	1.7
183.08041	2.4
185.09648	3.1
187.07573	1.9
189.09134	6.4
195.11729	2.1
197.09601	3.8
197.13290	8.2
199.11235	2.1
201.09094	4.0
208.08875	1.4
211.07594	2.0
211.11191	2.8
213.05574	1.0
213.09140	3.4
213.12772	7.8
214.09444	1.0
215.10606	1.4
223.11258	5.0
225.09167	3.0
226.10065	4.6
239.10757	3.1
241.08643	2.9
241.12294	41.3
242.12102	4.4
255.10512	1.0
257.11755	6.2
267.10300	2.8
269.08090	1.2
270.09119	5.4
285.11307	100.0
286.11472	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	285.0405
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.11749	0.9
58.89843	1.0
62.01324	0.9
62.50624	0.9
63.85631	0.9
65.00187	3.5
70.29773	3.1
70.30199	1.6
79.47306	0.9
83.01262	2.0
84.66090	1.0
91.31203	1.1
93.03336	4.3
95.01260	2.3
107.01263	3.6
112.28886	1.0
117.03347	5.4
119.01233	1.1
119.04894	2.2
121.02851	1.3
123.00761	1.8
125.02316	1.0
133.02841	15.6
137.02364	2.9
139.00262	1.1
145.02805	1.7
147.00839	1.1
149.02347	2.9
151.00278	7.5
163.00281	2.7
165.01848	9.9
169.06453	1.3
171.04388	3.3
175.03918	4.0
185.05951	1.7
187.03937	1.7
192.00616	1.1
193.75732	1.1
195.04434	1.2
199.03871	3.0
201.01807	1.3
213.05479	4.5
217.05049	2.3
227.03532	1.0
239.03471	2.7
241.05074	6.4
257.04514	6.2
267.02914	3.2
268.03796	8.1
284.26669	1.2
285.04041	100.0
286.04388	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01252	2.9
63.02258	1.1
65.00195	3.0
71.01241	0.4
78.95769	2.0
83.01256	1.5
96.95860	0.4
97.06490	0.3
103.91898	0.3
105.03339	0.5
107.01270	4.8
115.53467	0.3
121.02853	1.2
123.04408	0.8
132.02052	0.5
133.02853	29.5
134.03197	1.2
145.02805	0.3
149.02341	3.6
150.99118	0.5
151.00279	8.5
152.91675	0.6
169.01401	0.3
171.04443	0.7
173.05870	0.3
174.99191	0.8
175.03931	4.7
176.04329	0.5
183.89163	0.3
185.05992	0.3
186.85503	0.4
189.05568	0.6
197.05972	0.8
198.03134	0.6
199.03937	3.9
201.01920	1.6
202.92751	0.3
202.96916	0.3
202.98643	1.6
203.02296	1.0
213.05498	0.7
215.03416	0.6
217.00209	0.5
217.05028	2.1
223.03981	0.4
229.89812	0.3
239.03532	0.4
241.05054	1.8
243.03038	1.3
257.03995	1.0
267.02954	0.4
284.26718	2.4
285.04041	100.0
285.20648	3.1
285.27036	0.8
286.04413	7.1
295.17722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01248	1.0
63.02259	0.8
65.00198	3.1
71.17780	0.5
71.18127	0.3
75.00768	0.3
80.50274	0.2
83.01257	1.6
96.95881	0.3
105.03342	0.9
105.65123	0.2
107.00528	0.3
107.01268	5.2
121.02856	1.1
123.60635	0.2
127.01785	0.2
132.02005	0.5
133.02847	29.3
134.03214	1.1
143.04942	0.3
147.04453	0.3
149.02351	3.6
149.52138	0.2
151.00275	9.1
152.00587	0.3
169.06429	0.4
170.03616	0.3
171.04414	0.9
175.03918	5.7
185.06029	0.5
189.05524	0.3
197.06036	0.6
198.03130	0.8
199.03951	4.1
201.01869	2.3
211.03932	0.5
213.05504	0.9
215.03377	0.7
217.05022	2.6
218.05289	0.4
223.03928	0.7
229.05063	0.5
241.05014	1.9
243.02904	0.7
257.04468	0.6
261.66711	0.2
267.02893	0.5
284.26727	0.7
285.04041	100.0
286.04391	7.1
286.06815	0.1
295.68954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.04
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46354	0.1
63.02271	1.0
65.00192	2.7
66.04331	0.1
70.78125	0.3
70.78465	0.2
73.02795	0.2
75.37171	0.2
80.78108	0.1
83.01256	1.9
93.03338	0.4
96.95900	0.2
101.05218	0.1
105.03358	0.8
107.01271	5.4
108.52512	0.2
121.02850	1.1
132.02040	0.4
133.02850	28.5
134.03181	0.9
135.97813	0.2
143.04880	0.2
149.02353	3.5
151.00276	8.4
152.00618	0.2
157.06573	0.2
167.04906	0.2
169.01311	0.3
169.06482	0.2
171.04387	0.8
173.02446	0.2
175.03926	5.2
177.01846	0.2
183.04521	0.3
185.05986	0.6
187.03831	0.2
189.05502	0.4
197.06013	0.5
198.03154	1.0
199.03958	4.3
200.04271	0.2
201.01910	1.9
211.03960	0.3
212.04747	0.3
213.05550	0.9
215.03502	0.7
217.04997	2.5
223.04007	0.5
229.05000	0.5
239.03474	0.3
241.05045	1.5
243.02928	1.1
257.04532	0.7
267.03076	0.6
284.26764	0.3
285.04037	100.0
286.04404	6.6
286.07022	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.223
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
59.01240	1.4
64.45892	0.3
69.29848	1.1
69.30265	2.3
73.44151	0.3
74.02341	100.0
75.02692	0.4
78.95768	0.4
84.04427	1.1
114.04494	0.4
123.04399	0.5
123.10350	0.3
133.02852	0.7
184.80711	0.3
188.39708	0.3
190.02824	0.4
202.02760	0.6
238.21754	0.4
240.23305	3.4
247.91216	0.3
284.22318	42.8
284.26773	14.0
285.04037	3.2
285.24268	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	283.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
55.07238	0.6
58.99475	23.1
59.01248	8.4
62.45594	0.6
70.87971	1.3
71.01260	11.9
72.99177	0.9
73.02824	2.4
74.98985	0.9
75.00742	0.9
76.76300	0.6
83.01265	1.2
85.02814	5.4
87.00746	11.7
87.85378	0.6
89.02323	5.2
95.01273	1.0
96.95857	0.8
101.02316	6.2
102.98475	100.0
103.98844	1.0
113.02335	4.1
115.93658	0.6
119.03374	1.6
122.56954	0.6
141.28090	0.6
143.03409	0.8
159.02864	0.6
161.04462	5.5
177.63788	0.6
179.05463	1.2
191.51552	0.6
196.67210	0.6
205.07161	1.1
249.06145	5.2
255.02914	0.7
283.04941	19.0
283.11981	0.7
283.26434	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	283.0613
Annotation	Acacetin
Peak:m/z	Relative Intensity
59.01256	3.6
59.01532	0.3
63.01960	0.2
63.02258	1.2
65.00185	1.1
68.85012	0.2
69.94801	0.7
71.01263	0.5
71.51965	0.2
72.60107	0.2
83.01257	1.1
85.02855	0.2
89.02322	0.4
97.02852	0.4
101.02328	0.5
107.01270	2.0
113.02332	0.3
117.03339	5.8
117.59628	0.2
121.02848	0.4
121.04948	0.2
148.01570	1.6
149.99486	0.7
151.00267	3.0
156.05717	0.2
158.03709	0.2
160.83589	0.2
161.04475	0.2
165.01845	0.9
167.04985	0.2
169.01355	0.6
171.04451	1.0
172.05148	0.9
178.48253	0.2
184.05235	0.4
195.04465	0.4
196.05186	0.6
199.03967	0.5
200.04758	0.8
200.94450	0.3
201.02499	2.1
202.02615	0.3
204.17014	0.2
211.03920	2.3
212.04694	0.8
217.64426	0.2
224.04739	0.3
239.03452	4.2
240.04222	4.9
241.04552	0.3
241.63036	0.2
255.02983	0.7
265.18118	0.3
267.02975	2.8
268.03757	100.0
269.04111	7.0
283.06107	82.1
283.19211	0.9
283.26395	19.1
284.06458	6.2
284.26752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42099	1.1
59.01260	2.2
69.09618	1.1
71.46201	2.6
77.02319	1.2
82.49033	1.1
89.97494	1.0
101.02273	1.3
107.03506	3.9
108.01943	2.0
126.02991	9.8
133.01447	29.9
150.04117	100.0
164.55040	1.3
282.08432	28.5
283.08969	1.2
283.26398	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	283.0248
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
50.18429	0.1
52.56465	0.2
59.01252	3.7
63.02267	3.8
65.00185	1.6
70.29708	0.8
71.01266	0.5
83.01262	1.2
85.02824	0.2
89.02324	0.3
91.01778	0.2
93.03336	0.2
101.02338	0.3
103.01820	0.2
107.01274	3.6
113.02342	0.2
115.05433	0.3
117.03371	0.6
119.01320	0.2
121.02845	0.2
121.05037	0.2
129.05014	0.1
131.04947	0.3
135.00729	0.2
139.05441	0.7
141.03345	0.6
143.04921	0.8
145.02869	0.8
145.06485	0.3
147.00790	1.0
147.04448	0.2
148.01593	0.5
151.00287	2.6
154.04102	0.3
155.04932	1.4
157.02931	0.2
157.44939	0.2
159.04430	1.5
167.04970	0.7
167.09061	0.2
169.01343	0.6
169.02861	0.6
171.04430	0.7
173.05974	0.3
182.03662	1.4
183.04448	3.8
185.02365	1.7
187.03917	0.7
189.01921	0.2
193.02849	0.2
195.13829	0.3
199.03964	1.1
200.94461	0.3
201.02464	1.4
211.03937	1.0
213.01816	0.4
227.03436	2.2
239.03404	0.2
240.04192	0.2
242.02126	0.3
255.02968	100.0
256.03412	7.5
268.03766	0.3
283.02472	36.8
283.19226	0.7
283.26413	14.2
284.03079	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2484
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
70.01128	1.1
70.01532	0.6
78.46161	0.3
83.70016	0.4
106.27357	0.4
136.64488	0.3
143.72763	0.4
222.56406	0.3
241.98276	0.4
281.24835	100.0
282.25153	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01750	1.3
57.03327	15.1
59.01253	10.1
60.31994	1.1
65.03836	2.6
69.54468	9.3
71.01287	1.3
71.04858	1.2
83.04895	15.5
85.02811	2.8
87.00754	19.9
88.13417	1.1
93.03358	2.2
95.04890	5.1
96.95926	1.7
98.19810	2.5
107.04934	1.4
109.02860	1.6
111.04403	8.8
111.08026	5.2
113.05942	1.4
119.08525	2.6
121.06471	9.0
122.03613	1.6
123.08054	33.3
124.05251	3.2
124.08393	1.6
129.07001	2.2
137.05971	2.3
137.09618	4.3
138.03130	1.4
138.06757	1.5
139.07561	5.0
143.08592	1.3
145.10190	5.7
151.07614	5.6
153.09113	5.6
165.12939	1.1
169.08699	2.9
169.10139	5.7
171.11716	37.8
172.12053	1.8
175.11140	1.3
185.09605	2.4
189.12759	12.6
201.12779	13.9
207.13919	8.3
219.13829	8.2
237.14923	59.1
238.15282	3.9
281.13934	100.0
282.14178	6.8
289.32465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
57.03320	2.4
59.01249	33.9
69.72015	5.8
69.72443	5.0
71.01252	7.2
83.04891	2.2
85.02800	2.5
95.04909	4.7
96.95892	6.4
97.06463	1.8
111.48024	1.7
111.48798	1.7
113.05951	2.8
125.05983	33.1
137.09680	2.2
149.13281	12.3
163.07629	2.1
175.11205	13.3
193.12271	100.0
194.12627	5.1
195.10124	2.0
196.36662	1.6
219.10225	3.7
221.71172	2.1
237.11263	60.6
237.14885	2.3
238.11670	3.9
239.12852	2.4
281.10339	57.7
281.13354	3.3
282.10632	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
64.20200	0.6
70.34498	0.5
70.59987	0.6
70.82236	1.7
90.95902	0.6
90.98125	0.6
104.24746	0.5
107.44639	0.6
127.05795	0.6
177.78186	0.6
239.39777	0.6
241.92836	0.6
279.23285	100.0
280.23593	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01256	0.7
59.63540	0.1
65.78403	0.1
69.57208	0.1
70.76123	0.3
70.76492	0.3
71.01234	0.1
76.16677	0.1
83.04920	0.2
83.29992	0.1
87.34620	0.2
92.98305	0.1
115.97114	0.1
165.87444	0.1
169.96785	0.1
261.22153	0.4
276.56473	0.1
279.23276	100.0
280.23602	8.1
280.26764	0.3
298.76584	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20827	0.2
54.21175	0.3
59.01238	1.2
71.01230	0.4
96.22363	0.3
96.95882	9.8
97.56462	0.2
98.19730	0.5
101.02306	0.3
179.77449	0.3
180.41360	0.2
229.44876	0.3
234.73618	0.3
261.22519	0.2
267.22873	0.2
279.16660	6.8
279.23267	100.0
280.16763	0.5
280.23599	8.6
285.62015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.84543	1.6
57.03320	86.1
59.01244	4.6
68.30839	1.6
69.03333	2.5
71.01237	3.2
71.58041	2.9
73.02798	2.3
95.04906	2.1
96.95879	5.4
97.06528	2.0
109.06468	6.5
111.04371	2.3
121.06428	2.7
121.10103	7.9
123.08018	2.6
125.05997	4.2
137.09650	3.2
137.88518	2.1
147.08044	2.8
173.13310	4.2
175.11200	9.6
189.12793	2.0
191.14343	19.8
192.14497	2.5
217.12279	9.5
219.02940	2.6
219.09956	2.4
234.05289	4.0
235.13338	100.0
236.13707	6.0
261.11267	3.0
279.09283	2.7
279.12360	64.6
279.23221	10.4
280.12695	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1234
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
50.94506	0.6
51.60781	0.6
57.03324	4.4
59.01238	2.2
69.03305	1.1
69.26659	7.9
71.01250	9.7
71.04881	1.3
73.02819	0.8
83.04895	6.1
85.02818	1.8
87.00745	100.0
89.02319	1.2
96.95862	1.5
97.02805	0.8
97.06458	1.1
105.06969	0.9
106.13700	0.7
109.06475	2.1
111.04366	0.9
119.04904	1.0
119.08533	9.8
121.06469	2.4
129.07286	1.0
135.07970	0.9
135.71890	0.7
137.05940	2.1
137.09633	1.3
139.07545	1.1
146.54848	0.7
153.05499	0.8
161.09566	0.8
163.07626	0.8
171.11693	0.9
173.09586	1.7
173.13266	2.0
175.11157	1.7
187.11278	1.6
189.12766	15.3
191.10655	4.5
191.14323	2.9
199.11133	0.9
205.12331	3.8
215.10515	0.7
217.12248	9.7
218.12526	0.8
233.11725	4.1
235.13347	26.1
248.83633	0.8
261.11292	6.5
279.12350	98.9
279.23059	5.4
280.12686	6.4
304.92255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02589	0.7
56.03023	0.8
57.03318	4.9
59.01241	1.6
69.30711	8.1
71.01253	8.6
79.17427	0.7
83.04900	4.8
84.11585	0.9
85.02827	1.3
87.00748	100.0
88.01073	1.3
89.02302	1.4
96.95890	2.0
97.02850	1.2
98.20506	1.6
99.04374	1.1
109.06472	1.9
110.00117	0.8
112.04232	0.7
119.08553	8.0
121.06467	2.1
137.06046	1.7
137.09651	1.8
139.07660	1.0
147.11674	1.2
153.05522	1.0
173.09625	1.5
173.13220	2.6
175.11241	1.1
187.11235	1.2
189.09132	1.3
189.12753	16.7
190.13083	1.4
191.10677	4.6
191.14345	1.9
199.11211	1.2
205.12320	3.2
215.10706	1.2
217.12273	12.5
233.11707	4.5
235.13353	26.9
236.13591	1.1
261.11252	6.7
279.12360	98.7
279.23303	4.3
280.12775	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	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.19952	1.2
59.01241	5.5
59.03394	1.2
62.55998	1.2
70.10332	1.1
82.38406	1.2
98.19791	3.9
98.42355	1.2
277.18204	8.3
277.21689	100.0
278.21994	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27943	0.5
57.03317	4.1
59.01255	0.8
59.52679	0.5
69.03316	0.7
71.01246	8.9
71.04881	1.0
73.58665	0.5
74.59169	0.5
79.05404	0.6
83.04886	4.3
87.00743	95.7
88.01085	1.1
89.02314	1.4
97.02810	0.8
105.06989	1.1
109.06457	1.2
119.04961	0.6
119.08546	8.5
121.06450	1.4
124.73714	0.5
135.08000	0.6
137.05963	0.6
137.09621	1.5
147.11688	0.8
153.05472	0.8
171.11653	1.1
173.09616	2.2
173.13258	2.8
175.11174	1.1
187.11226	1.0
189.09026	0.6
189.12753	18.1
190.13110	1.0
191.10690	4.7
191.14310	2.4
192.56067	0.5
199.11200	1.5
199.55377	0.5
215.10602	1.0
217.12291	9.9
217.14230	1.1
218.12579	0.8
233.11774	4.0
235.13341	27.2
236.13675	2.0
261.11249	5.5
279.12347	100.0
280.12680	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
60.53825	0.2
71.01228	0.6
72.31800	0.2
83.04865	0.3
127.07562	0.3
201.09819	0.2
233.22673	0.4
259.20596	0.5
275.20129	0.4
277.21707	100.0
278.18948	0.4
278.22043	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70400	0.2
59.01255	2.5
69.44615	0.2
71.01246	0.6
79.95619	0.3
89.87774	0.2
95.07555	0.2
99.82874	0.2
103.24734	0.2
104.31673	0.2
105.61490	0.2
113.06000	0.2
127.07517	0.3
130.12102	0.2
142.56560	0.2
194.92732	0.3
205.15927	0.4
229.70541	0.2
233.22720	0.3
233.64987	0.2
259.20621	0.7
275.20068	0.5
276.63358	0.2
277.21707	100.0
278.22049	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01241	1.3
69.51641	0.5
69.51807	0.8
69.52231	3.2
98.19886	0.8
183.16075	0.5
196.12160	0.5
243.01784	0.5
277.21704	100.0
278.22006	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	277.1444
Annotation	Acrostalidic acid
Peak:m/z	Relative Intensity
54.43575	0.6
56.47765	0.5
57.03306	1.4
58.00465	8.4
59.01239	3.4
67.01760	2.6
71.01236	5.1
72.86855	0.6
72.99165	0.7
73.02814	27.9
74.03123	0.6
76.66979	0.6
79.05399	9.9
80.05711	0.8
83.01285	0.7
83.04449	0.6
83.04857	3.2
84.02027	2.2
85.02809	2.3
85.06486	0.7
87.04364	1.5
89.46284	0.7
89.52751	0.6
95.01248	0.8
95.04890	0.8
97.02817	2.1
99.04335	1.6
101.81960	0.6
109.02834	0.8
109.06499	0.8
110.03610	22.5
111.00840	0.7
111.04403	15.7
119.04789	0.7
121.06453	1.1
123.00752	0.8
123.04383	1.6
123.08048	0.8
134.03627	1.4
135.04393	0.9
135.08049	3.2
137.09587	1.0
139.07516	0.8
141.01817	1.6
142.08243	0.6
146.08054	0.8
147.08002	0.7
147.11671	3.2
149.06021	0.6
149.09602	1.2
153.09096	0.9
159.08041	0.6
160.08771	0.7
161.09573	0.8
163.11159	0.7
165.09131	0.7
171.11635	0.6
173.13307	0.9
175.11230	1.1
175.14812	0.8
177.12827	1.0
187.14853	0.8
189.12811	1.2
194.92796	0.8
197.13303	0.8
199.11148	0.8
203.10692	3.1
203.14313	3.0
205.15898	7.7
215.10983	0.8
215.14343	11.2
216.14731	0.7
217.12244	1.1
219.13857	2.7
231.13947	0.8
233.11745	1.5
233.15411	35.0
234.15823	2.1
249.14905	3.5
257.90274	0.6
259.13339	4.3
277.14413	100.0
277.21494	2.1
278.14740	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	277.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21156	2.1
58.79034	2.1
59.01249	100.0
60.12846	2.1
62.07702	2.4
62.73497	1.9
69.70918	12.1
69.71326	3.4
71.01254	9.8
72.01585	2.3
73.02805	4.0
73.51560	2.5
85.02834	6.2
87.00773	6.1
96.95887	4.0
98.20512	4.6
101.02335	7.5
108.04401	4.6
119.04910	4.3
131.07011	2.5
135.08044	2.3
145.02820	4.9
147.04424	7.3
161.04442	3.1
174.17398	2.3
175.03880	5.0
192.85484	2.2
203.03409	10.3
215.03285	2.6
232.90793	2.5
233.11766	2.3
235.11850	9.2
263.39828	2.5
264.31128	2.1
277.03543	5.6
277.21671	7.5
287.75970	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1078
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
57.03305	2.9
60.99163	4.6
66.93015	1.2
69.03308	3.8
71.57648	1.8
73.50817	1.1
74.50008	1.2
79.05380	2.5
83.04881	5.2
93.06918	1.1
95.04900	2.4
95.92097	1.3
97.02716	1.1
106.04134	1.2
107.04846	2.3
111.04401	19.5
111.29832	1.1
114.92443	1.1
119.08529	1.7
121.06475	5.7
123.04415	8.0
131.08487	1.2
133.06503	2.7
133.10117	2.1
135.08055	6.2
147.11729	1.2
153.05437	1.1
155.08592	1.7
159.08005	1.5
161.09622	1.8
169.10187	7.7
171.11696	20.6
172.11987	1.8
173.09595	2.0
183.70424	1.3
185.09608	3.3
187.11169	12.0
189.12738	20.2
190.13042	1.5
191.10663	1.3
203.03419	1.2
205.12268	3.8
212.32748	1.5
212.34712	1.3
213.09184	3.0
215.10701	45.6
216.10986	3.3
231.10187	1.6
233.11763	79.9
234.12079	6.1
259.09641	4.2
277.10773	100.0
277.21628	3.5
278.11139	7.8
278.13898	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	277.1229
Annotation	Pantetheine
Peak:m/z	Relative Intensity
50.57253	0.3
51.77352	0.3
53.23465	0.4
58.02847	3.4
59.01263	0.5
62.48746	0.4
70.02856	13.5
70.87272	0.9
71.01256	0.6
71.04894	22.0
72.00791	0.8
72.05250	0.5
87.05519	8.0
96.95882	0.9
97.03990	0.7
99.04401	8.0
113.07054	0.4
115.05031	2.0
116.07072	3.4
129.05479	1.5
130.03229	10.2
146.08136	100.0
147.05894	4.6
147.08476	2.8
147.90883	0.3
150.23407	0.4
156.09711	0.3
175.03967	0.4
189.72705	0.3
201.29500	0.3
203.03456	0.6
204.72110	0.4
217.11893	24.3
218.12193	0.9
243.13495	0.6
244.74503	0.4
251.78758	0.4
277.12277	34.5
278.12527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
56.01392	1.5
57.03314	4.9
60.99171	5.1
69.03323	4.0
79.05397	2.7
82.99299	1.4
83.04902	6.7
84.96017	1.4
95.04882	2.2
97.02877	1.5
97.06466	1.5
107.04897	1.5
109.06477	3.1
111.03758	1.8
111.04418	13.3
121.06438	7.4
123.04378	3.3
133.06487	4.5
135.08099	7.8
136.03903	1.3
145.06480	1.6
147.08017	2.0
149.05998	1.5
155.08563	1.6
156.45015	1.5
159.08037	2.9
164.69710	1.3
167.08507	2.7
169.10178	7.9
171.11705	28.7
185.09599	1.9
187.11197	16.7
189.12794	19.4
213.09195	1.7
215.10719	46.3
216.11082	3.5
231.10217	4.1
233.11813	89.4
234.12244	7.0
259.09872	2.1
277.10797	100.0
278.11081	8.4
278.13840	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	277.0717
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
54.15086	0.6
55.19707	0.5
59.01234	1.4
62.31353	0.5
65.43068	0.5
69.87912	2.3
69.88338	1.3
71.01263	4.1
87.00753	1.3
96.95870	1.4
109.02834	1.0
130.04146	1.5
130.06477	1.0
135.04408	0.7
145.06560	0.8
146.03598	2.6
146.08090	1.2
147.04391	2.8
148.05151	1.8
159.04463	0.9
160.05183	1.1
161.04701	1.0
161.05978	9.7
162.06714	2.2
163.07533	1.1
172.05203	6.3
173.05927	2.2
174.05391	0.8
175.03909	2.1
175.07536	0.6
177.09097	2.5
187.07541	4.1
188.04753	0.8
189.05508	3.3
189.09134	2.4
189.12846	0.6
190.02646	0.9
190.06314	4.8
194.60104	0.6
199.03908	2.7
200.04732	6.0
201.05363	1.3
203.03410	2.7
203.07188	0.7
205.08624	14.8
215.07068	14.6
215.10468	0.7
216.04146	0.6
216.07481	0.7
217.05022	4.6
218.05786	11.4
227.03513	0.8
231.06561	1.1
233.08148	100.0
234.08449	5.4
244.03696	1.8
259.06082	7.3
277.07172	52.7
277.10590	5.6
277.21735	2.8
278.07416	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	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41996	0.8
69.66222	4.9
77.02032	0.8
78.95779	42.3
89.02351	1.0
96.96843	100.0
98.19877	1.8
179.14737	0.9
252.37602	0.9
277.21619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.1
60.04045	0.4
68.97990	0.4
69.32749	3.9
71.01244	1.0
78.30637	0.4
83.04902	1.2
91.11902	0.4
116.13730	0.4
116.92715	1.1
127.11193	0.4
142.22794	0.4
149.97845	0.4
163.07616	0.4
175.02808	0.5
177.16370	2.9
191.10777	0.6
192.95755	2.5
203.17865	0.5
231.21124	10.2
232.21321	0.7
257.19153	1.2
273.18594	0.8
275.20126	100.0
276.20441	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.76025	1.1
55.97271	1.0
59.01255	8.0
62.33077	1.1
71.01247	1.8
97.16830	0.9
97.76611	0.9
98.20563	2.4
116.92709	1.8
129.05319	1.2
133.01221	1.1
169.47490	1.1
177.16330	2.0
231.21126	10.1
264.68683	1.0
275.20142	100.0
276.20483	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
58.00472	1.6
59.01249	2.4
63.78806	0.3
69.03313	1.5
69.62128	0.3
69.87576	1.8
71.01250	1.9
71.04889	4.9
72.87992	0.3
73.02827	2.3
76.85992	0.3
83.04929	0.3
85.02789	0.3
85.06448	1.2
87.04372	1.3
96.95921	0.5
97.06477	1.1
98.19746	0.4
99.08034	16.4
100.08345	0.6
106.79760	0.3
107.49875	0.3
109.06460	0.8
111.08040	2.7
113.09614	0.7
115.03920	1.4
115.51981	0.3
117.03348	0.9
123.08060	0.7
127.06602	0.4
127.07548	7.4
128.08331	0.4
129.09111	17.1
130.09389	0.5
133.02780	0.4
134.03632	1.5
135.04443	1.9
139.07539	0.5
139.11209	3.4
141.09183	1.9
143.10695	1.9
157.08647	0.3
157.12201	0.7
159.10196	0.6
162.03140	1.1
177.16382	0.4
191.55283	0.3
193.15939	1.1
195.17490	0.8
201.14836	0.4
211.16969	4.0
212.17285	0.5
213.18562	0.6
229.18033	1.4
231.13789	0.4
239.16510	0.7
248.07088	0.3
255.15790	0.5
257.17557	10.6
258.17847	1.2
273.17023	2.3
275.09497	1.8
275.18622	100.0
276.18979	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	275.1287
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
50.95769	1.0
55.01755	1.8
57.03312	1.8
58.00466	6.8
59.01240	2.2
69.03320	2.7
69.38071	6.0
69.38496	4.8
71.01241	6.8
73.02809	9.3
79.05392	4.7
81.03329	3.6
83.04884	10.9
84.02020	2.7
85.02828	2.1
93.03311	2.0
93.06951	3.0
95.04881	4.0
97.02824	4.7
97.06428	1.7
99.04398	3.1
107.04897	2.1
108.02052	1.6
109.02802	3.0
109.06415	1.7
110.03602	4.3
111.04399	37.5
111.08034	1.9
119.08569	1.8
121.06464	6.1
122.03606	4.3
123.04393	8.5
123.08002	2.1
125.05990	2.3
131.08527	1.2
133.06474	2.7
133.10133	2.0
134.03578	2.2
135.04405	1.7
135.08047	3.3
137.06010	3.0
137.09636	1.6
139.07545	3.9
145.10178	1.3
147.08061	3.9
147.11685	3.3
149.05989	2.0
149.09641	9.2
151.07539	4.2
159.08038	1.3
161.09610	3.5
163.07555	11.1
165.09113	64.2
166.09497	2.8
171.07877	1.5
171.11746	2.5
173.09637	2.2
173.13235	10.2
175.07492	1.9
175.11244	2.5
177.09155	2.4
185.09633	2.3
185.13277	4.1
187.11205	2.5
188.08379	1.2
189.09142	5.7
189.12779	1.4
195.11790	2.3
197.09688	1.2
198.10445	1.9
201.09192	2.8
201.12753	5.0
202.09908	1.7
203.10777	2.4
203.14342	37.8
204.14639	3.2
211.11185	2.4
213.12790	29.7
214.13077	1.5
215.10707	3.4
216.11461	1.8
217.12265	6.0
219.13995	1.4
229.12309	4.3
231.13847	42.7
232.14079	3.9
247.13396	20.4
248.13783	1.7
257.11777	13.6
258.12369	1.2
267.67365	1.2
275.12872	100.0
276.13211	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	275.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86275	1.3
58.02841	3.2
67.01743	3.7
69.03309	5.5
69.46534	11.9
71.01250	4.6
73.02820	12.2
89.98236	1.5
93.00775	1.3
95.01266	11.6
95.04902	1.6
96.95897	3.5
97.02826	2.3
98.44805	1.3
103.00203	1.3
105.03326	2.8
107.04893	5.4
108.14048	1.2
113.02318	8.0
113.05949	12.0
119.04906	2.7
121.06499	2.2
123.04368	1.8
129.07016	1.6
133.02838	5.3
134.03659	7.9
135.04384	5.0
135.08029	2.8
136.07547	1.9
139.00256	2.3
140.42651	1.3
141.01817	2.4
143.08557	4.8
144.04424	4.7
144.05650	1.4
145.06467	6.1
146.02383	7.4
146.03462	1.5
147.03178	2.5
147.08011	6.0
149.05956	1.5
153.06917	1.7
155.08539	4.5
156.05566	1.4
157.06488	8.1
157.10059	2.4
158.07246	5.3
159.03172	2.5
159.04408	3.2
159.08012	1.4
160.03888	4.4
162.05562	3.3
169.06502	1.7
169.10124	3.2
170.06001	1.5
170.07274	5.7
171.05663	2.0
171.08060	37.0
172.03903	10.5
172.05232	5.4
172.08456	1.2
173.06012	6.5
173.09618	32.8
174.06685	3.5
175.07559	3.6
178.02686	1.5
183.04352	1.4
183.08092	10.0
184.08777	3.2
185.06044	4.2
185.08029	2.9
185.09622	47.4
186.06734	3.6
186.09984	3.2
187.03853	2.1
187.07556	16.3
187.11206	4.7
188.08394	1.5
189.06653	9.8
195.08076	43.9
196.08330	3.3
197.05951	3.5
198.06798	15.1
199.07382	3.9
201.05476	2.0
201.09138	9.8
201.11118	3.2
202.06247	4.5
203.10770	7.2
211.07542	1.9
212.08357	3.2
213.09142	100.0
214.09526	6.5
215.04897	1.5
215.07047	7.9
216.07863	10.8
227.07011	1.9
231.07669	7.9
231.10153	47.0
232.10474	3.3
257.08167	6.0
275.06570	3.9
275.09235	40.1
275.18640	1.9
276.09351	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	275.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.1
65.00169	1.4
66.34253	1.6
67.01768	1.9
67.13461	1.4
69.03323	5.8
71.01248	4.4
72.99186	2.0
73.02816	11.2
79.95618	1.7
80.24178	1.5
95.01268	13.3
96.95904	7.1
97.02874	2.7
103.00246	2.7
105.40343	1.3
107.04898	4.6
111.00751	2.1
111.04427	3.1
113.02351	8.2
113.05970	48.0
117.03505	1.6
129.06999	1.7
135.04414	2.9
135.08101	1.6
143.08556	3.1
144.05731	1.5
145.06522	4.3
147.08049	4.9
155.08574	6.1
157.06519	7.4
157.10118	2.2
158.07254	2.3
159.04358	2.6
159.08073	1.5
164.48746	1.4
169.06477	2.5
169.10149	5.6
170.07294	7.5
171.08075	33.2
172.05219	3.7
173.06053	4.5
173.09659	33.8
175.07559	2.0
183.08099	9.1
184.08809	2.5
185.02469	1.6
185.06105	3.8
185.08012	3.1
185.09648	42.4
186.06767	3.2
186.10176	2.0
187.07629	8.1
187.11137	2.5
195.08092	47.3
196.08455	3.3
197.05980	4.1
198.06792	17.0
199.07532	3.1
201.09135	9.8
201.10783	1.6
203.10742	5.8
211.07727	2.6
213.09163	100.0
214.09451	5.8
215.07103	8.0
216.07855	14.0
231.10239	39.9
232.10516	4.8
257.08221	10.0
275.09274	19.3
276.09607	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	273.2072
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
57.40431	0.8
58.00462	1.6
59.01247	2.9
60.20776	0.8
65.80832	0.7
69.86962	4.9
71.01241	1.5
71.04885	13.1
83.04896	1.2
87.04362	2.0
91.37737	0.9
98.15063	0.9
98.19877	1.6
99.16595	0.8
101.05949	11.0
136.86444	0.8
142.99080	0.8
146.32190	0.8
155.07036	0.9
155.14319	20.6
183.14011	0.8
185.15381	3.5
192.31732	1.0
194.86395	1.0
197.19038	1.9
209.19046	1.0
227.20076	8.1
255.19582	7.4
271.19266	1.3
273.07666	1.1
273.20718	100.0
274.21130	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	274.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	10.8
71.58203	5.1
77.36156	4.7
80.04926	9.9
80.30389	4.1
87.00668	4.2
93.26105	4.2
96.95831	5.1
111.04375	11.0
117.03336	6.3
122.05983	6.6
133.06529	5.5
134.03603	42.7
135.04349	5.7
136.33168	3.9
145.02890	5.9
151.79779	5.6
161.02342	16.6
162.03049	19.8
171.91856	4.7
176.01031	8.2
177.09122	12.6
178.02606	9.5
185.09627	6.7
187.07585	10.6
187.11214	47.6
188.10698	5.6
189.09050	6.0
190.02386	4.3
191.03062	10.5
201.01898	9.0
202.02303	20.6
203.10767	5.1
215.03473	10.9
216.03802	20.6
217.04549	9.6
229.08839	5.5
230.11809	87.0
231.10202	41.5
231.12195	7.3
245.08176	7.1
246.08492	90.1
274.08014	100.0
274.10867	90.2
274.14194	12.4
275.09235	47.7
275.78482	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2072
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
54.50851	0.8
57.03327	1.4
59.01231	1.8
71.01255	1.4
71.57304	1.1
73.02824	1.7
87.04379	1.4
96.95892	1.2
97.65136	1.0
133.03433	1.0
183.17407	1.4
255.19623	12.3
256.19662	1.2
257.17386	1.1
271.19083	3.9
273.20700	100.0
274.21027	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	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22689	0.5
55.01737	0.4
55.23437	0.4
57.03314	2.1
58.00462	1.7
59.01254	23.0
69.03329	0.6
69.60117	0.4
71.01254	18.5
71.04892	6.1
73.02814	5.2
78.95803	0.5
81.03316	1.9
83.04894	6.0
85.06464	0.9
87.64980	0.4
95.04903	1.8
96.95921	0.8
97.02840	1.7
97.06467	0.8
99.04403	1.2
99.08031	6.7
101.05964	7.0
110.03601	0.7
110.98398	0.7
111.04413	3.4
111.08040	2.3
113.05965	3.4
113.09576	3.1
115.03903	8.5
125.06004	0.9
125.09599	0.8
127.07542	2.0
127.11193	4.0
129.05476	4.4
129.09108	10.2
137.05962	0.6
137.09610	1.9
139.11194	9.7
141.09122	1.9
143.07001	0.6
145.04991	4.2
155.07051	1.6
155.10681	5.1
157.12224	1.2
165.12747	1.4
171.98837	0.4
175.14787	3.9
181.12253	1.6
182.12581	0.6
183.13913	0.7
193.15884	3.5
197.44452	0.6
201.14905	6.8
237.14951	2.5
245.36568	0.5
255.16002	17.8
256.16333	1.1
273.03995	1.1
273.17075	100.0
274.17438	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	273.0768
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
56.31649	0.5
59.01250	3.4
59.93362	0.4
69.86405	2.7
71.04904	0.4
89.03810	2.5
98.20498	0.6
104.02530	0.7
118.04123	2.0
130.04030	1.0
133.02869	0.6
134.03609	0.8
145.02853	0.8
148.01559	4.6
160.01572	0.9
160.05157	0.6
161.02353	11.2
162.03130	2.2
173.02335	2.1
174.03140	4.2
175.03751	0.6
176.01053	11.3
177.01378	0.9
187.03940	1.3
188.04695	0.8
189.01857	5.2
190.02628	15.5
190.04335	0.9
191.03195	0.8
198.03059	0.8
201.01862	29.6
202.02629	10.4
203.03043	0.6
205.01367	0.6
211.03932	0.8
213.14847	0.8
215.03436	21.8
216.00728	4.5
216.04190	15.7
217.01094	0.6
217.04646	1.3
222.01649	1.9
227.07115	1.0
229.04962	2.3
244.03676	0.6
244.07423	0.5
245.08150	100.0
246.08511	6.5
255.06551	0.8
273.07672	81.1
273.17117	1.7
274.08020	7.0
274.10776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29263	0.8
54.54248	0.6
56.57161	0.8
56.71553	0.8
57.03311	3.7
59.01249	23.9
69.03316	1.1
71.01249	13.9
71.04886	8.4
71.58133	1.0
76.41965	0.7
81.03349	0.7
83.04895	5.5
95.04902	1.0
99.04358	0.8
99.08034	13.4
101.05929	2.4
108.97797	0.7
109.06464	4.5
110.70231	0.7
111.04382	2.4
111.08042	16.2
113.09481	0.7
123.04396	0.8
127.07515	2.5
129.09094	7.7
137.05963	3.8
139.11205	2.7
141.09096	1.3
155.07045	25.7
155.08328	1.3
162.06528	0.7
165.12749	3.2
173.08089	3.9
177.12682	0.8
181.12344	1.2
193.15892	2.0
199.50322	0.8
201.14876	4.1
237.14911	6.4
238.15181	0.8
245.08318	0.7
255.11438	1.2
255.16014	7.3
273.04086	1.2
273.07678	2.1
273.17047	100.0
274.17386	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	273.038
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
50.42205	0.3
67.52242	0.3
70.03857	1.2
71.01239	0.6
72.99174	0.7
77.28459	0.3
78.95771	71.0
79.95573	0.5
80.96395	0.4
85.02808	0.9
87.00723	0.5
94.97966	0.4
96.95867	1.0
96.96830	6.4
98.02293	0.4
110.98407	42.0
111.98682	0.4
113.02303	0.7
113.38679	0.4
115.84801	0.4
128.03400	1.2
132.59123	0.4
145.06068	0.6
157.01338	0.3
168.82820	0.3
197.75940	0.4
201.08762	0.6
202.97934	0.3
227.00330	0.4
241.01140	12.2
273.03781	100.0
274.04172	4.0
274.10480	0.5
288.69415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
62.17015	0.3
70.70234	0.4
70.70570	0.5
71.01258	0.6
72.99168	0.6
78.95777	92.7
80.96365	0.3
85.02824	0.8
87.00735	0.4
96.95908	2.3
96.96835	8.6
98.02315	0.3
98.95515	0.3
110.98416	67.8
111.98776	0.3
113.02297	0.6
114.23320	0.3
128.03395	0.6
145.06129	0.4
157.01274	0.6
166.74614	0.3
193.03467	1.0
223.00081	0.4
241.01154	20.0
242.01498	0.4
254.99222	0.5
260.56198	0.3
272.82941	0.6
273.03802	100.0
274.04245	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.02741	0.2
57.44877	0.1
66.96124	0.2
69.73702	1.1
73.24018	0.2
97.12580	0.1
107.44482	0.2
109.02852	0.2
113.59571	0.2
125.02322	0.2
125.09619	0.6
127.11178	4.1
128.11613	0.2
141.12730	0.6
161.28925	0.2
222.41306	0.2
225.22220	2.5
253.21689	2.3
269.21246	1.0
271.22778	100.0
272.23120	7.1
272.26099	0.4
294.22519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03324	7.2
59.01255	0.5
62.56811	0.5
69.93664	0.5
70.74029	1.7
71.04889	5.3
73.02814	1.3
80.02545	0.9
83.04897	0.7
84.02045	5.3
108.02067	0.7
109.02860	0.8
125.02343	1.7
197.18982	2.5
199.09853	0.5
223.20677	0.9
225.22189	34.0
226.22546	2.2
235.20615	7.8
236.20926	0.6
253.21704	13.2
254.22179	0.6
269.21210	4.7
271.22772	100.0
272.23120	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01229	0.7
64.48057	0.6
69.95150	4.2
80.41874	0.6
83.04896	0.7
98.19833	0.9
101.24259	0.7
125.02308	1.3
132.57956	0.6
197.19028	1.3
221.19205	1.3
223.20648	3.8
225.22191	64.7
226.22554	4.2
253.21814	1.2
271.22778	100.0
272.23154	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	273.034
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
64.94078	0.4
69.71990	3.0
70.84684	0.5
71.75894	0.5
79.95595	2.8
89.24787	0.4
96.95892	5.9
98.20457	0.8
104.32292	0.5
168.89148	0.6
193.07642	100.0
194.07964	6.5
209.07150	1.6
273.03391	93.0
274.03702	5.8
280.17285	0.6
286.88361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.70129	0.3
51.94392	0.2
53.76106	0.2
55.52161	0.2
58.63803	0.2
59.01255	0.4
71.29882	0.3
73.27890	0.2
108.02055	0.7
109.02766	0.6
125.02339	0.7
134.91170	0.2
150.90796	0.3
186.33975	0.2
225.22186	3.6
226.22542	0.4
253.21741	1.5
269.21243	1.1
271.22772	100.0
272.23120	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
59.01250	1.4
69.26714	8.0
83.04891	0.9
87.00771	1.1
106.69265	0.7
108.02026	1.6
109.02859	1.8
125.02336	2.2
188.85234	1.6
209.19041	59.0
210.19414	3.0
215.91832	0.8
227.20128	1.7
244.50247	0.8
253.18054	39.2
254.18340	1.8
271.19141	100.0
271.22495	3.9
272.19547	6.6
284.51703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.2
59.01271	0.3
69.47311	1.7
81.26103	0.2
82.85535	0.3
83.04903	0.3
97.06458	0.7
99.08028	6.4
106.42809	0.2
113.09617	0.6
125.02335	0.6
145.52097	0.2
153.12831	0.2
155.14330	4.7
156.14630	0.3
169.15878	0.8
225.22166	7.6
226.22502	0.6
235.20685	0.5
240.27992	0.2
251.20168	0.3
253.21713	1.2
269.21115	1.4
271.22769	100.0
272.23099	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.5
59.01245	26.0
67.01751	0.7
67.15537	0.5
69.03326	2.7
71.01250	18.4
71.04882	5.9
81.03329	2.0
83.04886	5.9
84.02023	0.6
85.02150	0.5
85.02821	2.0
85.06422	0.5
87.00739	0.6
87.04388	0.9
93.03300	2.8
95.04915	1.6
97.02820	1.1
97.06449	3.1
99.08025	4.0
101.05963	0.6
109.02802	1.3
109.06483	5.9
110.03646	1.0
111.04398	13.7
111.08041	14.0
112.08306	0.5
113.05959	0.8
115.03872	7.5
119.04912	0.7
119.65617	0.5
121.06483	3.7
121.10103	2.6
123.04382	2.1
125.05978	1.1
127.07558	3.1
129.05450	1.4
129.09111	1.1
130.08615	1.9
133.02841	1.4
134.03624	4.9
135.04387	0.9
137.05980	3.9
139.07527	5.9
141.05450	0.6
142.09467	0.5
143.06830	0.6
149.05984	3.4
153.05440	0.8
155.07034	28.4
155.10629	1.9
156.07402	1.1
163.11168	1.3
165.05484	0.8
173.04398	0.9
173.08127	3.9
179.03403	0.7
181.12225	1.4
183.06519	0.9
185.16498	1.0
191.05507	1.3
191.14337	2.9
215.05565	1.3
217.03284	0.5
227.07036	0.9
227.17754	0.6
235.13351	5.8
253.14395	8.2
271.02652	1.2
271.15479	100.0
272.03189	0.7
272.15811	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
57.21504	0.8
58.00463	7.6
59.00599	0.8
59.01250	20.3
69.03323	2.3
69.45001	1.8
69.45405	5.4
69.58631	0.7
71.01252	2.0
72.99184	2.3
73.02815	5.4
78.95774	3.3
81.03313	1.2
83.01238	2.3
83.04908	4.4
84.02052	1.2
91.10161	0.8
95.04913	1.4
96.96840	3.4
97.06470	16.9
98.11063	0.7
99.08015	1.2
106.04115	1.3
109.06477	4.9
111.04453	0.9
111.08041	49.7
112.08353	1.1
113.05972	11.6
114.06350	1.0
119.04906	1.8
121.06451	5.7
123.08051	0.9
125.05942	2.6
127.07552	6.8
135.08064	14.9
137.05992	6.8
137.09624	1.1
139.07542	20.9
141.05473	12.1
143.07059	5.1
155.07040	30.2
168.70847	0.9
173.08142	1.9
173.13278	9.1
191.14365	4.2
229.88423	0.7
253.14388	7.9
271.02420	2.0
271.15497	100.0
271.22812	3.4
272.10562	2.5
272.15894	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40248	1.5
58.02839	2.8
58.69093	1.3
58.71853	1.5
59.01243	4.1
69.26828	15.8
70.74064	1.3
75.00746	10.8
75.42961	1.5
76.33352	1.4
78.31806	1.4
83.01203	1.4
83.04929	2.8
91.81464	1.3
92.95882	1.5
95.36909	1.4
98.47369	1.3
100.18729	1.2
108.02052	3.3
109.02867	3.1
117.48975	1.4
125.02354	3.9
125.09644	2.4
153.12828	1.5
164.83603	1.7
166.24323	1.4
171.10199	6.7
172.10544	6.2
183.13815	19.7
195.13824	13.8
197.11935	3.0
197.13757	4.4
198.12196	4.2
198.14957	6.2
199.03899	1.6
199.13362	1.8
209.11848	3.9
211.13446	5.3
212.13794	1.7
213.14899	94.6
214.15279	5.4
223.15337	3.9
227.03496	3.2
228.04279	8.8
228.16014	58.7
229.14397	23.0
229.16418	2.8
236.12941	1.8
240.12509	1.8
241.12811	5.5
242.14055	2.4
253.12662	8.2
253.16370	3.2
254.14139	2.8
255.03018	9.2
256.03748	41.6
257.04239	3.0
271.03122	2.3
271.06259	50.9
271.10886	100.0
271.17346	83.1
271.22919	5.5
272.06525	4.3
272.11490	4.1
272.15018	76.1
272.17493	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	270.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97350	0.4
58.02833	1.8
59.01257	0.6
70.80841	0.6
70.81176	1.2
81.69844	0.5
82.02850	1.3
83.04897	0.7
106.92315	0.4
114.39587	0.5
125.09615	3.2
127.11188	0.5
169.12247	1.1
171.10170	10.7
172.10524	0.9
178.35876	0.5
180.13783	0.6
181.12346	0.6
183.13786	1.3
195.13812	2.1
196.09804	1.1
196.13353	5.5
197.11699	6.2
198.14925	2.1
207.06046	0.5
209.11716	2.3
209.15465	1.0
210.14949	1.1
211.13304	1.6
211.44635	0.5
213.14865	7.0
222.11427	2.3
222.14920	4.6
223.13385	1.4
223.15402	0.5
225.14949	0.9
227.12910	0.6
228.04271	0.6
228.15965	2.1
234.11227	1.1
234.14954	0.6
235.13309	0.5
240.12372	10.3
240.14967	0.7
240.15930	1.0
241.14507	0.8
252.12370	11.6
252.16034	4.5
256.03775	3.6
270.13583	9.1
270.17072	100.0
271.06195	4.6
271.10873	6.1
271.17493	7.0
271.22461	0.5
272.35138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01237	0.6
63.02265	10.5
65.00191	17.8
69.56832	1.1
69.57256	1.6
71.14225	0.3
81.03318	0.4
83.01254	10.5
87.04404	1.8
89.63299	0.3
93.03329	14.0
94.03683	0.5
106.41769	0.4
107.01266	27.1
108.99239	0.4
109.02848	0.9
117.03342	0.5
118.77205	0.4
119.04911	74.5
120.05260	2.0
121.02852	0.7
125.02347	1.1
143.04944	1.1
145.02888	1.3
151.00272	68.6
152.00577	1.7
161.05898	0.8
165.01868	3.0
165.09102	0.5
169.01347	5.6
177.01851	9.2
185.06029	1.4
187.03922	2.4
227.06999	1.4
229.05043	0.5
256.07269	0.7
271.06104	100.0
271.15482	2.0
272.06439	7.4
284.65750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20055	0.6
57.53067	0.6
58.02838	1.8
59.01245	1.0
60.39868	0.6
69.03325	0.6
69.61784	4.2
71.66576	0.6
74.02336	3.5
75.00737	1.5
83.04874	0.7
121.97281	0.7
125.09620	1.4
141.35733	0.7
143.57117	0.7
169.12178	1.0
171.10179	12.1
195.13803	1.0
196.13329	6.1
197.11716	6.4
198.14943	1.6
209.15289	0.7
210.14925	1.2
211.13278	2.1
213.14937	1.3
222.14890	4.0
223.13368	1.2
228.15964	2.5
234.14896	1.4
240.12332	2.6
240.16106	1.3
243.09789	0.7
252.12334	3.8
252.16104	4.1
270.17087	100.0
271.17426	6.8
283.00668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.26968	0.6
59.01242	1.7
59.98087	0.8
61.36311	0.7
62.96262	1.5
70.72305	0.9
71.01254	1.1
71.57468	0.8
74.36916	0.7
83.04911	0.8
88.31924	0.9
90.97000	1.1
107.01281	1.1
111.00815	0.8
117.03351	1.7
157.08617	7.4
164.93002	2.7
166.90971	2.9
167.95833	0.7
182.94121	1.1
184.91989	1.8
186.85486	2.1
186.95534	3.9
187.00993	0.8
208.91975	1.7
226.93135	5.2
251.20122	9.5
252.20490	0.8
267.19693	1.0
269.04547	6.0
269.21201	100.0
269.24600	4.7
270.04990	1.1
270.21582	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03320	0.4
59.01238	0.5
64.95396	0.2
69.41405	0.6
69.41833	1.7
78.39507	0.2
80.70756	0.3
88.05725	0.2
95.04887	0.4
97.06485	2.2
99.08038	6.5
113.09641	0.4
117.03361	0.6
125.05973	1.0
143.07050	12.6
144.07449	0.4
149.02391	0.3
151.00256	0.4
153.12749	1.4
155.14284	0.3
188.10506	0.3
223.20715	1.6
225.22160	0.5
226.73396	0.2
226.93185	0.3
233.18959	0.3
251.20140	11.0
251.22758	0.6
252.20473	0.8
260.76260	0.3
267.19647	1.0
269.04639	3.3
269.21219	100.0
270.21573	7.6
270.24530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03299	0.4
58.53256	0.2
59.01233	0.5
61.90738	0.2
68.81335	0.2
69.03322	0.4
70.82404	0.5
71.04893	0.3
77.28289	0.2
84.02908	0.3
103.86798	0.4
107.01256	0.5
114.81571	0.2
117.03330	1.5
136.53014	0.3
149.02307	0.5
151.00259	0.6
161.02007	0.3
164.93111	0.4
166.90950	0.3
183.17438	0.8
186.95583	0.9
196.64522	0.3
201.05527	0.3
211.16904	1.5
218.16461	0.3
225.05455	0.3
225.22169	0.4
226.93167	0.6
227.16447	2.3
251.20149	5.5
256.83688	0.3
267.19647	0.8
269.04550	7.4
269.21213	100.0
270.04990	0.9
270.21548	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	269.212
Annotation	16-Hydroxyhexadecensaure
Peak:m/z	Relative Intensity
59.01239	2.1
62.24139	0.5
62.96267	1.6
65.00163	0.6
71.01251	0.6
72.79436	0.6
73.02814	0.7
85.02802	0.9
86.49402	0.5
90.97011	1.5
101.02324	0.8
101.56811	0.5
102.67375	0.5
107.01283	0.6
117.03355	2.3
121.02878	0.7
132.98030	1.3
149.02344	0.6
151.00229	0.8
162.83893	0.5
164.93011	1.3
166.90930	2.0
184.91954	0.9
186.85559	1.1
186.95538	5.6
208.92072	0.8
221.19055	0.7
226.93045	2.5
239.20120	17.1
240.20375	0.9
240.65674	0.5
251.20151	9.2
267.19644	0.9
269.04553	8.8
269.21207	100.0
270.04840	1.1
270.21545	7.8
280.93643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38781	0.9
57.03304	1.9
59.01249	100.0
60.01569	1.2
60.99147	0.7
61.37722	0.7
67.70583	0.8
68.92183	0.8
69.21704	0.9
69.53396	1.7
69.53715	7.3
75.13465	0.8
96.95901	4.2
98.20532	1.3
99.04394	3.0
100.62982	1.0
117.03358	1.3
119.28467	0.9
127.18118	0.8
129.12067	1.0
130.38634	0.8
147.36951	0.8
148.17737	0.9
165.12750	6.3
166.90958	1.3
177.78143	0.9
186.95540	3.1
189.12796	0.9
199.78641	0.9
207.13852	17.1
208.14172	1.3
209.11754	20.7
219.06734	1.0
225.14922	10.0
225.22087	1.1
226.93117	1.8
251.12851	9.6
251.16730	1.3
251.20171	1.1
269.04520	3.9
269.13934	76.1
269.17441	4.1
269.21210	16.5
269.24826	3.4
270.14285	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76928	1.0
57.03318	5.4
59.01248	100.0
61.31697	1.0
65.01331	1.0
71.01268	1.6
71.04842	1.4
73.02834	1.0
79.95609	0.9
83.04895	3.8
85.02785	1.0
87.00731	4.9
95.04922	1.2
96.95876	4.3
97.06432	1.7
99.04342	1.7
111.08002	1.3
115.11823	0.8
115.55342	1.1
132.04420	1.2
136.03885	1.1
162.83746	1.2
163.11232	1.6
165.12747	23.6
181.12248	4.6
186.95467	1.4
191.10696	1.4
195.13844	1.9
207.13832	15.4
209.11752	33.9
210.12117	2.1
225.14891	20.1
226.15282	1.4
226.93050	1.5
227.82513	0.9
239.16435	1.5
241.14380	1.3
251.12878	8.5
251.16565	2.3
269.04669	4.6
269.13934	81.3
269.17462	8.1
269.21225	15.5
269.24731	3.8
270.14307	3.1
270.21524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1294
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
57.03283	0.5
59.01235	1.7
62.96275	2.2
71.01246	0.9
71.38551	1.3
74.31683	0.6
77.15735	0.5
90.96999	1.7
96.95886	1.3
99.00727	0.6
101.02308	0.7
117.03352	1.6
120.04407	2.2
121.02833	0.7
121.98782	0.5
122.89318	0.7
132.98079	1.5
136.07613	0.9
151.00323	0.8
152.91682	1.2
159.01404	0.7
162.74431	0.6
162.83821	1.0
164.93050	1.1
166.90953	1.4
178.27084	0.6
182.94031	0.6
184.91985	1.3
186.85535	2.4
186.95537	8.2
187.01004	0.7
208.91901	1.2
211.08620	3.8
211.13248	1.1
225.10225	5.5
226.12450	1.3
226.93219	2.8
239.08240	4.1
241.13409	2.7
251.11951	0.7
253.09789	2.6
254.10576	13.3
269.04669	6.9
269.12933	100.0
269.21176	11.7
269.24741	3.0
270.04938	0.8
270.13254	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.7
55.95173	0.9
57.03315	6.2
58.00457	1.9
59.01248	42.6
59.13999	1.3
69.03314	1.4
71.01250	100.0
72.01560	1.4
72.99165	5.0
73.02816	34.3
75.00735	1.7
83.01254	18.7
84.01581	1.0
85.02820	48.6
85.99975	1.1
87.00753	3.4
89.02316	4.0
93.10196	1.0
95.01266	6.5
96.95896	3.9
97.02815	3.1
98.20535	2.7
99.00751	14.9
99.04365	0.9
101.02316	72.3
107.04939	2.0
113.02325	39.2
117.03276	1.2
125.02290	2.0
129.01830	2.9
135.04405	1.0
143.03403	3.2
151.33046	0.9
152.87497	0.9
159.02917	7.9
161.04457	27.0
205.03435	1.7
225.14902	1.6
269.04504	1.8
269.10226	7.0
269.13046	2.2
269.17432	1.7
269.21179	11.5
269.24283	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68064	0.3
57.28241	0.3
59.01239	0.8
61.84677	0.3
62.82792	0.3
63.02260	1.5
65.00193	4.2
67.48010	0.3
69.57700	0.7
69.58118	2.0
69.60764	0.3
71.01236	0.3
79.24519	0.3
81.03346	0.3
83.01254	1.9
84.39561	0.3
93.03307	0.5
96.95908	1.1
97.90628	0.3
100.69307	0.3
105.03334	1.2
107.01273	7.2
109.02847	0.5
109.06515	1.4
117.03346	27.4
118.03686	0.5
121.02828	1.7
149.02339	9.2
150.02696	0.4
151.00276	11.1
152.00696	0.4
153.01862	0.5
153.05476	0.3
159.04457	2.4
169.01312	0.4
169.06512	0.5
180.05675	0.7
181.06503	1.9
183.04437	1.8
185.02460	0.5
196.05309	0.4
197.05963	0.9
201.05482	2.4
213.05515	0.4
224.04716	0.5
225.05527	3.9
227.03531	1.9
241.05013	0.5
269.04550	100.0
269.21219	2.1
269.24649	0.5
270.04898	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.2
59.01251	2.2
63.02267	3.7
64.02606	0.1
65.00190	2.7
69.76572	0.9
79.01779	0.2
81.03362	0.3
83.01249	1.1
83.04907	0.2
85.48835	0.1
87.00768	0.2
88.97346	0.1
89.00191	0.2
93.03356	0.8
95.01202	0.1
96.95888	0.6
105.03333	0.7
107.01273	5.2
108.01553	0.1
109.02840	3.3
117.03350	17.4
118.03671	0.6
121.02822	1.0
123.04375	0.2
131.04961	0.2
135.04405	0.8
141.03343	0.3
147.00879	0.1
147.04414	1.0
148.01591	0.1
149.02351	5.6
149.03558	0.3
150.02711	0.2
151.00275	5.9
151.01509	0.3
155.04951	0.2
157.06497	0.4
158.03590	0.3
159.04433	5.7
160.04710	0.2
161.02350	1.1
165.12761	0.5
169.01361	0.2
169.06448	0.6
171.04485	0.3
173.05917	0.2
180.05762	0.5
181.06506	1.2
182.03654	0.2
183.04440	1.8
185.02348	0.3
195.04396	0.2
196.05159	0.4
197.06046	1.1
199.03993	0.2
201.05508	1.4
202.05801	0.2
207.13976	0.7
209.11795	1.0
213.05524	0.3
221.91365	0.1
224.04778	0.4
225.05527	3.0
225.14923	0.4
226.05853	0.3
227.03423	1.1
228.03851	0.1
241.04961	0.3
245.04698	0.1
251.12903	0.3
269.04550	100.0
269.13898	3.1
269.21225	1.1
270.04886	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01236	0.2
59.33189	0.1
63.00969	0.1
63.02266	1.4
65.00196	3.8
69.92171	0.5
71.46163	0.1
79.01744	0.1
81.03342	0.3
83.01247	1.8
87.04383	0.2
93.03339	0.5
95.04919	0.2
96.95874	0.3
98.20447	0.2
104.93217	0.1
105.03355	1.2
107.01268	6.4
117.03345	23.5
118.03699	0.8
120.41187	0.1
121.02853	1.7
139.03990	0.1
141.03337	0.2
149.02348	9.3
150.02734	0.5
151.00275	10.8
152.00591	0.3
155.04874	0.2
157.06470	0.3
159.04419	2.0
161.02353	0.2
169.01288	0.4
169.06505	0.6
180.05754	0.5
181.06517	1.4
182.03577	0.3
183.04449	1.4
184.04849	0.1
185.02348	0.5
186.95560	0.4
192.38350	0.1
196.05153	0.2
197.06070	0.6
199.03978	0.2
201.05515	2.1
213.05531	0.2
222.52879	0.1
224.04718	0.4
225.05519	3.9
225.14850	0.3
226.05887	0.3
226.93150	0.2
227.03462	2.0
241.05074	0.4
269.04541	100.0
269.17596	0.8
269.21222	1.7
269.24585	0.3
270.04883	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
53.53345	0.3
59.01247	1.6
63.59724	0.3
70.01036	1.6
70.01439	0.6
71.01247	0.8
75.93740	0.3
78.77366	0.3
81.95213	0.5
85.02840	0.4
89.02336	0.4
93.57330	0.4
96.95890	4.0
97.95821	0.6
98.95470	25.0
98.96287	3.8
101.02284	0.4
103.39777	0.3
118.63263	0.3
124.30134	0.3
181.15952	1.8
197.16385	0.4
207.17503	2.1
223.20618	1.7
249.18665	0.7
249.77759	0.4
267.14700	18.7
267.19647	100.0
268.14972	1.2
268.19943	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	2.8
59.01245	2.2
59.98394	1.5
60.56343	0.9
69.03333	5.5
69.71921	4.2
69.72328	1.6
71.01249	1.8
73.02818	1.8
81.06960	1.0
82.38105	0.8
83.04889	2.6
85.02824	1.6
95.04874	1.4
97.06492	0.9
99.04396	1.1
113.05940	2.1
119.08518	1.5
135.11711	3.1
137.09625	1.4
153.09103	12.8
174.24123	1.0
179.10683	33.4
180.11058	1.3
240.89781	1.0
249.14990	4.3
267.02930	3.9
267.15994	100.0
268.16403	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	267.1601
Annotation	Arteincultone
Peak:m/z	Relative Intensity
56.32905	0.3
57.03318	4.5
59.01248	1.0
60.26416	0.3
69.03345	0.6
70.46297	0.9
71.01244	0.6
83.04890	2.6
85.02827	0.3
85.06458	0.5
89.02327	0.4
93.28910	0.3
95.04924	0.5
97.06447	1.8
101.02332	0.8
101.18321	0.3
109.06481	0.9
113.59608	0.3
121.02875	0.4
121.10133	1.5
123.08038	1.2
131.04842	0.3
134.04694	0.3
135.08046	3.1
137.09631	0.6
160.84155	0.6
161.04526	0.4
179.14345	1.2
187.14865	1.1
189.12766	0.7
195.17505	0.5
205.15907	52.3
206.16231	3.3
207.13852	1.0
221.15421	1.5
223.16969	13.6
223.56685	0.3
224.17284	0.8
225.05626	0.3
231.13797	0.7
249.14905	4.0
267.15991	100.0
268.16306	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	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17174	0.4
51.84512	0.4
52.86708	0.3
57.03317	0.8
59.01234	1.5
67.44815	0.4
69.32433	1.7
69.32861	2.2
71.01249	0.7
83.70583	0.3
85.02831	0.4
89.02312	0.7
94.55373	0.4
96.95890	0.6
97.06479	0.4
98.95460	1.6
101.02330	0.6
113.02356	0.7
113.48829	0.4
121.02840	0.6
123.08054	2.5
125.09616	4.2
141.12746	1.0
161.04393	0.6
167.10686	0.4
176.97792	0.4
202.61772	0.3
209.04413	0.4
215.51373	0.4
223.20639	2.0
223.24329	0.4
262.60513	0.4
267.19653	100.0
268.19983	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	267.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	9.0
59.01235	8.2
60.78296	2.2
61.75466	2.2
71.01247	34.2
71.04887	2.4
72.99193	2.5
89.02306	2.4
96.95893	5.9
98.19753	5.3
122.58327	1.9
148.19572	2.0
160.84001	2.3
167.14256	3.9
168.02005	2.0
175.14853	2.5
181.15872	6.5
185.11705	3.1
193.15904	92.8
194.16194	6.7
195.50560	2.1
205.15985	3.4
207.13982	2.1
209.15443	4.3
216.85687	2.4
220.55571	2.3
223.17012	20.2
237.14897	3.8
239.16531	3.1
249.14969	5.3
267.06604	3.0
267.13000	3.3
267.16006	100.0
268.16156	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	2.8
59.01245	2.2
59.98394	1.5
60.56343	0.9
69.03333	5.5
69.71921	4.2
69.72328	1.6
71.01249	1.8
73.02818	1.8
81.06960	1.0
82.38105	0.8
83.04889	2.6
85.02824	1.6
95.04874	1.4
97.06492	0.9
99.04396	1.1
113.05940	2.1
119.08518	1.5
135.11711	3.1
137.09625	1.4
153.09103	12.8
174.24123	1.0
179.10683	33.4
180.11058	1.3
240.89781	1.0
249.14990	4.3
267.02930	3.9
267.15994	100.0
268.16403	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.217
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01245	2.0
67.79621	1.1
70.88072	3.4
79.86246	1.1
96.95881	28.8
104.75068	1.2
145.94652	1.2
147.64798	1.4
156.73480	1.2
206.19267	1.0
211.26297	1.2
254.30042	1.1
258.15402	1.3
265.14828	21.6
265.21707	100.0
266.15192	1.4
266.22061	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	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
56.78468	0.6
70.77982	1.9
73.02785	0.5
92.02407	1.8
107.03528	5.1
108.65709	0.6
128.93376	0.6
134.04614	100.0
135.05023	1.5
208.33856	0.6
215.31572	0.5
266.08936	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	267.0661
Annotation	Dorstegin
Peak:m/z	Relative Intensity
53.67845	0.9
55.25388	0.9
59.01243	4.2
63.38157	0.9
69.17918	0.7
70.27048	0.8
71.01243	3.1
71.56789	1.4
71.57208	1.2
71.57584	1.0
73.02802	1.3
75.42533	0.8
76.47481	0.8
78.91090	0.7
85.02800	2.3
87.49151	1.0
89.02321	1.8
101.02331	1.2
113.02310	1.6
114.35019	0.9
121.02834	3.9
160.05478	1.0
161.04419	1.6
161.07419	0.9
197.06001	100.0
198.06361	5.2
209.04410	2.1
223.07553	5.4
267.06601	31.5
267.16006	1.9
267.19489	2.7
267.22922	0.9
268.06958	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
53.02254	0.6
54.23743	0.5
57.03310	0.8
59.01239	4.8
70.28461	0.6
70.95510	1.3
70.95896	1.2
71.01241	1.0
78.95754	1.4
80.02566	0.6
81.03325	1.3
82.82310	0.5
89.02332	0.5
95.04900	0.8
96.89198	0.5
96.95869	1.4
97.06458	5.1
101.02306	0.9
106.04993	0.6
111.75840	0.5
113.09562	0.8
121.10114	15.1
125.05981	0.7
134.04582	1.5
143.07040	25.2
149.09622	2.6
149.13336	0.6
151.11159	1.0
153.12752	1.5
157.08633	0.8
158.93820	1.0
165.12761	1.4
167.10651	0.7
191.14201	1.3
197.11726	1.2
203.17989	3.9
219.21906	0.6
220.74207	0.6
221.19046	4.4
247.16980	18.7
248.17296	1.3
265.18060	100.0
266.18393	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01241	3.4
69.78232	0.5
70.24037	0.5
71.01247	1.5
71.14108	1.1
73.02831	1.4
96.95935	0.6
101.05916	0.5
103.91413	0.5
107.81361	0.5
115.99889	0.7
127.07403	0.6
155.76852	0.6
172.28587	0.6
191.17863	0.6
219.21100	0.8
263.20135	100.0
264.20477	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28838	2.1
79.95593	1.9
95.04107	0.2
95.94555	0.2
95.95114	0.5
96.95886	100.0
97.95802	0.3
114.37380	0.2
115.29752	0.3
121.75062	0.2
132.39671	0.3
157.26994	0.2
202.61240	0.2
212.90579	0.2
265.14767	74.7
266.15094	4.8
288.20755	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	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54218	0.2
52.48131	0.2
54.30570	0.2
63.13729	0.2
67.87216	0.2
71.14745	0.6
79.95592	2.1
82.85749	0.2
94.09575	0.2
95.44480	0.2
95.95119	0.7
96.95882	100.0
97.95789	0.4
124.48167	0.2
153.86703	0.3
155.13283	0.3
171.31415	0.3
249.03072	0.2
265.14752	78.1
266.15082	5.3
272.81491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02296	0.2
59.01252	0.4
61.29128	0.3
67.31641	0.3
68.85602	0.2
70.64616	0.4
70.64944	0.6
79.95596	2.0
87.21544	0.3
95.95090	0.5
96.95891	100.0
125.95607	0.3
206.22331	0.3
254.27448	0.3
265.14777	79.1
266.15091	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	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81256	0.6
52.68231	0.7
55.01749	1.6
56.61795	0.7
58.03829	0.6
59.01257	0.7
69.48923	4.7
73.02816	100.0
74.03142	0.9
79.05394	0.9
92.16982	0.6
103.66127	0.6
117.01820	0.9
139.07567	4.5
174.49724	0.6
183.06560	1.6
201.12778	2.2
217.12451	1.0
219.13840	49.9
220.14160	2.9
245.11732	3.9
263.12860	78.3
264.13184	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17760	0.7
55.01762	1.7
57.03286	0.8
59.01245	3.5
65.93613	0.8
69.93409	4.2
71.01240	1.8
73.02822	97.5
74.03178	1.1
79.05407	0.8
79.95605	1.2
90.50089	0.8
93.06982	1.0
96.95900	3.7
98.20467	1.3
117.01816	0.9
121.06536	1.1
137.09631	2.4
139.07539	4.1
145.10110	1.2
153.09084	1.3
157.76253	0.9
181.08688	5.5
185.54573	0.8
201.12759	2.7
219.13866	70.4
220.03738	1.4
220.14163	3.6
235.06099	2.0
245.11758	4.0
263.12888	100.0
264.13269	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90980	0.7
59.01253	100.0
60.01605	1.0
68.22077	0.6
69.56398	0.7
71.01241	1.0
73.02817	4.0
76.80558	0.6
87.86099	0.8
96.95924	1.8
98.19661	1.5
101.02315	1.1
112.48175	0.6
113.02327	0.9
123.72882	0.7
219.13890	3.1
263.12796	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78627	0.8
59.01250	100.0
60.01581	1.3
71.37329	1.7
96.95869	2.0
101.02335	1.9
107.46392	1.1
138.23949	1.0
194.92133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52255	0.5
55.01759	2.7
56.06172	0.5
59.01241	1.8
60.65088	0.6
61.05313	0.6
68.89624	0.8
71.13398	0.6
73.02818	100.0
74.03158	1.3
79.05424	1.0
85.07465	0.5
85.32874	0.5
85.93646	0.8
124.57754	0.6
139.07556	4.3
144.42526	0.5
150.32497	0.7
183.06371	0.9
192.28468	0.6
201.12828	1.8
217.12279	1.0
219.13866	48.2
220.14230	3.1
245.11798	4.5
247.97075	0.6
251.51691	0.7
263.12878	75.2
264.13193	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
56.12835	0.6
57.32343	0.5
59.01239	0.7
62.33952	0.6
62.96896	0.6
67.47517	0.6
70.22720	2.1
71.01265	0.7
73.02820	100.0
74.03152	1.3
79.05395	0.9
96.95916	1.0
139.07558	6.0
145.10129	1.0
173.13322	0.7
175.14880	0.8
176.35620	0.6
181.76616	0.6
183.06528	1.6
201.12798	2.5
219.13858	50.8
220.14209	4.2
245.11769	6.3
263.12881	88.1
264.13226	5.9
283.74918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41254	1.4
55.01754	1.9
56.08429	1.4
56.76533	1.3
57.03325	4.5
59.01239	4.2
67.01763	2.0
71.01242	5.4
71.38995	2.4
83.04907	3.5
85.02840	2.0
96.95870	3.6
97.02840	11.0
97.06495	2.6
102.16234	1.4
105.06946	3.0
107.04925	3.0
108.05703	5.1
109.02834	6.9
109.06485	3.7
111.04406	15.5
112.24923	1.9
113.05983	9.1
119.08546	5.1
121.06500	3.6
122.03645	12.7
123.04417	1.6
123.08049	8.6
124.05167	1.5
125.05978	15.0
125.09611	1.7
135.08057	2.2
136.05186	16.3
137.05972	6.0
138.06778	18.0
139.07559	34.4
148.05232	8.3
149.05968	3.7
151.07562	77.5
152.04684	8.5
152.08345	40.2
153.09131	12.1
159.11705	4.8
161.09644	8.6
163.07574	14.2
163.11156	1.6
167.07027	5.0
171.08026	2.0
185.09760	2.5
186.10329	2.0
188.08330	3.4
189.09109	6.6
189.12648	1.8
201.12791	31.5
202.13039	2.8
203.10727	25.3
204.11497	67.5
205.11813	3.4
219.13857	100.0
220.14217	5.0
263.12909	14.4
264.12888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.93297	0.7
55.01746	3.1
55.04721	0.7
57.03326	1.9
58.00467	5.6
58.35164	0.8
59.01250	100.0
60.01587	1.1
70.02859	1.4
71.01252	77.9
71.57784	1.0
72.01590	1.9
72.04441	0.9
72.99180	7.3
73.02812	5.4
74.02341	12.9
83.01250	4.0
85.02824	18.1
85.03339	1.0
87.00745	3.5
89.02315	70.4
90.02658	1.7
90.52765	0.8
90.62934	0.7
95.01265	4.7
98.02348	3.5
99.00745	1.9
101.02322	41.0
102.02637	0.8
111.04440	1.4
113.02330	29.6
116.03430	8.0
119.03383	22.9
125.09606	1.1
128.03441	1.1
131.03482	1.5
132.04451	3.9
143.03424	2.1
144.04500	1.5
149.04465	1.4
159.02904	1.2
161.04488	5.4
161.05716	1.2
173.13283	1.5
179.05496	0.9
201.06607	1.5
201.11197	1.6
210.31874	0.9
217.12291	3.8
219.07671	1.1
243.12511	1.2
261.08682	3.3
261.11169	2.7
261.13504	6.9
262.09366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40801	1.1
61.46617	1.1
70.45946	4.2
71.01247	1.7
79.05403	1.7
83.04905	2.4
89.08189	1.1
96.26962	1.1
97.02818	2.0
99.04398	1.7
103.19736	1.1
103.91914	1.2
111.04398	15.4
117.06965	4.0
119.08525	2.3
121.02844	1.6
122.03616	1.4
123.04380	1.5
125.09612	1.5
131.08501	1.7
135.08095	1.4
150.41182	1.1
151.07553	1.5
157.10107	1.5
161.05846	1.2
163.07576	5.0
163.26378	1.2
171.11717	2.5
173.13281	29.1
174.13652	1.6
175.07539	2.6
175.11186	2.7
177.05464	1.7
187.11267	1.4
189.09023	1.8
189.12785	1.6
196.66977	1.1
199.11191	10.2
200.11469	1.7
217.05026	2.1
217.12288	100.0
218.12628	5.8
220.68466	1.2
233.04556	1.5
243.10304	1.3
261.03937	4.6
261.11310	79.2
262.11728	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	261.1131
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
52.26347	3.6
59.01241	7.8
69.72548	20.8
78.71175	3.7
82.06228	3.9
83.04884	6.8
85.44330	3.9
87.00771	7.2
96.95892	5.2
98.20531	6.1
103.84589	4.3
103.91897	18.0
106.61537	4.9
111.04394	42.9
116.92760	10.9
118.94062	4.9
119.07578	4.0
123.04395	4.5
125.09660	6.2
132.08163	4.0
136.93944	20.4
151.07509	4.3
163.07481	9.6
171.11740	6.7
173.13269	29.9
175.07599	19.0
178.95081	30.0
178.97672	9.1
189.09129	4.4
192.95786	5.3
199.11218	7.4
217.12270	100.0
261.02902	4.1
261.11313	35.0
262.11566	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33284	9.0
69.33701	3.3
73.02818	1.5
83.04902	6.5
97.02839	1.9
98.19819	2.6
101.61762	1.3
111.04401	54.0
112.04726	1.5
117.06953	2.2
122.03660	2.1
123.04450	2.5
130.37389	1.2
138.04616	1.4
151.07571	8.4
163.07553	11.3
173.13274	25.6
174.06712	1.6
174.13655	2.0
175.07585	14.9
175.11151	2.6
187.11250	1.5
189.09146	3.0
189.12787	3.4
199.11220	8.5
200.11707	1.3
215.10764	1.5
217.12276	100.0
218.12636	8.2
243.10237	2.0
261.11307	31.5
262.11618	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	261.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82960	0.6
59.00769	0.5
69.03346	0.7
69.50717	0.5
69.51044	1.5
69.51445	3.4
71.01243	0.7
73.02822	1.3
81.91007	0.5
83.04893	8.3
95.04884	1.6
97.02837	2.3
98.19805	1.4
99.04421	1.2
102.90682	0.6
105.06966	0.8
107.04898	0.6
107.08493	0.6
111.04394	49.6
112.04758	1.5
117.06989	1.8
119.08582	0.8
121.02899	0.7
121.06461	1.1
122.03619	3.1
123.04381	2.3
131.08591	1.1
133.06502	1.1
135.04413	0.8
135.08051	2.2
143.08498	0.9
145.10098	1.1
147.04398	0.9
147.08052	3.2
148.05168	2.3
149.05980	0.8
151.07549	6.8
157.10138	2.3
160.05247	1.2
161.06024	0.6
163.07536	10.7
164.07903	0.8
171.11682	2.4
173.06009	1.0
173.13257	24.3
174.13567	1.2
175.07555	14.5
175.11174	2.2
176.07782	1.1
187.11209	0.8
189.09058	2.9
189.12750	3.8
199.11215	7.0
201.09140	1.2
202.09924	1.6
215.10635	1.0
217.12259	100.0
218.12575	7.4
230.49338	0.6
243.10196	1.4
261.11267	34.0
262.11627	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	261.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23197	3.8
67.01765	4.1
71.42207	3.6
79.05405	3.2
83.04893	21.4
89.00370	3.5
89.18955	4.2
111.03712	6.3
111.04403	73.5
111.40528	4.0
113.96362	3.5
147.08061	9.6
148.05127	6.1
151.07579	9.7
160.05212	5.3
163.07529	15.5
173.13261	26.9
175.07556	33.8
189.12814	5.2
199.11235	7.9
202.09845	5.1
217.12257	100.0
218.12608	7.0
229.32623	5.4
261.11292	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.0
58.02845	9.3
59.01253	14.9
60.71321	0.9
70.02850	9.8
71.01247	8.4
71.58074	1.2
72.04408	3.7
74.02343	100.0
82.23095	0.8
84.04415	4.5
85.02836	2.7
86.02340	6.5
89.02324	5.3
92.04939	2.3
94.95222	0.9
97.13841	0.9
98.02354	28.8
101.02319	3.6
110.02367	1.6
111.04425	1.2
113.02335	2.0
116.03423	53.2
117.03735	1.7
118.02834	1.2
119.03392	1.5
128.03432	12.3
130.06453	1.6
131.03644	9.2
132.04449	44.3
133.04730	1.5
144.04436	13.4
146.06046	1.6
150.95375	0.9
157.07617	6.1
158.06013	9.3
173.07126	2.1
173.13300	1.3
175.08673	8.8
185.00885	0.9
199.08755	4.4
201.06648	10.3
201.11255	2.2
215.08168	2.0
217.09833	3.5
217.12308	5.4
217.14189	1.1
219.07661	11.5
232.34026	1.0
243.07666	2.5
261.08801	38.3
261.13245	1.7
261.17065	1.0
262.09064	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	261.0879
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
57.03293	1.0
58.02845	9.3
59.01253	14.9
60.71321	0.9
70.02850	9.8
71.01247	8.4
71.58074	1.2
72.04408	3.7
74.02343	100.0
82.23095	0.8
84.04415	4.5
85.02836	2.7
86.02340	6.5
89.02324	5.3
92.04939	2.3
94.95222	0.9
97.13841	0.9
98.02354	28.8
101.02319	3.6
110.02367	1.6
111.04425	1.2
113.02335	2.0
116.03423	53.2
117.03735	1.7
118.02834	1.2
119.03392	1.5
128.03432	12.3
130.06453	1.6
131.03644	9.2
132.04449	44.3
133.04730	1.5
144.04436	13.4
146.06046	1.6
150.95375	0.9
157.07617	6.1
158.06013	9.3
173.07126	2.1
173.13300	1.3
175.08673	8.8
185.00885	0.9
199.08755	4.4
201.06648	10.3
201.11255	2.2
215.08168	2.0
217.09833	3.5
217.12308	5.4
217.14189	1.1
219.07661	11.5
232.34026	1.0
243.07666	2.5
261.08801	38.3
261.13245	1.7
261.17065	1.0
262.09064	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0221
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
56.92087	0.6
71.01266	0.8
71.56921	1.2
78.95770	100.0
79.95625	1.0
96.95930	8.3
96.96834	63.7
102.05482	0.8
115.77141	0.6
119.04913	0.9
128.03467	1.4
130.08607	1.9
135.04399	1.3
138.97919	5.1
144.35252	0.6
168.99022	1.2
197.09662	1.2
199.00069	1.4
225.61757	0.6
241.01138	5.1
241.11932	0.7
255.07935	0.6
259.02219	36.0
259.13025	2.6
260.02408	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	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	5.2
69.53812	19.8
72.73515	2.4
78.95770	5.5
79.95602	7.8
83.04897	7.3
84.02038	2.7
84.21059	2.6
96.95873	24.5
96.96838	3.1
101.02354	2.9
154.78741	2.5
163.11189	5.1
165.12779	2.9
197.09628	2.6
209.11761	100.0
210.12091	6.3
227.12823	8.3
259.01514	4.5
259.09628	3.1
259.19296	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	257.2121
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.01775	0.6
59.01244	0.8
71.50452	0.5
71.58649	1.0
78.14874	0.5
83.04893	0.8
83.60039	0.6
97.42929	0.6
129.62877	0.6
138.06570	0.6
162.34161	0.6
183.17554	1.0
207.17450	1.0
209.19040	3.9
211.20618	64.9
212.20987	4.5
219.84509	1.0
221.84238	1.6
239.20088	1.5
255.19556	0.9
257.21210	100.0
258.21576	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	259.0221
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
59.01251	0.8
69.93825	3.2
72.36252	0.5
77.58640	0.6
78.95773	100.0
80.25911	0.7
80.96278	0.6
96.95870	2.7
96.96837	58.6
117.72011	0.6
130.08650	2.1
138.97899	3.8
168.98976	1.5
197.09718	0.8
199.00104	2.3
212.73843	0.6
241.01144	4.3
241.11862	0.9
259.02219	36.0
259.12830	0.6
260.02521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1757
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.06872	0.3
57.15579	0.3
59.01249	1.1
69.54203	2.3
71.01258	2.0
73.02819	30.4
74.03152	0.4
76.54443	0.3
79.95625	0.8
83.02420	0.3
83.04900	0.6
96.95902	2.4
98.19829	0.5
99.00706	0.3
105.18639	0.3
115.85999	0.3
181.12111	0.3
183.13829	41.4
184.14171	2.7
195.13824	4.6
196.14111	0.4
213.14899	0.6
221.15421	3.4
239.16484	12.1
240.16838	0.7
255.16016	1.3
257.08173	1.3
257.17560	100.0
258.17905	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	257.1756
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03320	4.1
58.00465	1.4
59.01247	28.9
63.21215	0.6
69.03340	0.8
69.32986	6.2
71.01251	22.8
71.04889	9.8
73.02815	21.5
73.06458	0.6
79.95599	2.0
81.03338	2.2
83.04884	7.3
85.02808	1.4
85.06461	1.0
85.23895	0.6
86.30169	0.7
96.95891	6.7
97.02824	7.7
99.00800	0.7
99.04411	2.7
101.05956	16.6
115.03914	3.3
116.92735	1.0
123.59026	0.7
125.02301	0.6
127.03896	1.7
132.66914	0.6
139.11153	1.8
141.12741	1.7
145.04955	12.1
146.05298	0.7
167.14288	1.9
170.54756	0.7
174.99120	0.9
179.14401	0.9
183.13800	1.0
193.15935	1.3
195.07977	1.1
195.17455	2.5
203.97293	1.2
219.84467	0.8
221.15407	1.3
221.84178	2.4
239.16467	19.4
240.16872	1.4
257.08215	1.7
257.17551	100.0
257.21033	4.3
257.23755	3.5
258.17908	8.2
272.73074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1914
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.89675	0.2
57.98895	0.2
70.59761	0.6
70.99121	0.2
72.04423	0.7
73.67901	0.2
74.02343	100.0
75.02687	1.1
81.93050	0.2
84.04418	1.1
102.88875	0.2
141.74216	0.2
168.69972	0.2
182.43826	0.3
184.50250	0.3
194.16370	0.2
196.81543	0.3
210.18546	0.7
212.20137	4.3
213.20583	0.3
219.84435	2.5
224.49707	0.2
255.59064	0.3
256.19174	41.6
256.23438	13.6
257.19534	2.7
257.23782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.1
56.68587	1.3
57.03320	8.3
59.01248	26.9
69.03321	3.8
70.49248	1.5
71.01259	2.0
71.04885	17.6
71.58932	1.4
73.02815	3.1
73.89236	1.5
79.95606	4.3
81.03302	1.6
83.04894	5.8
85.06517	1.3
92.20837	1.2
93.58284	1.4
95.04881	3.1
96.95877	15.3
97.02831	3.7
97.06465	14.9
99.00749	17.5
105.14224	1.4
109.06462	2.1
110.03604	1.5
116.92731	1.5
123.08043	8.2
125.09603	100.0
126.09963	2.8
151.11072	1.4
153.09125	6.1
153.12743	3.2
160.01556	2.3
161.09706	1.7
163.11197	18.7
169.08638	1.8
172.05193	1.5
174.99223	1.7
179.10623	3.1
181.12256	54.9
182.12596	3.0
183.13777	2.0
187.07617	2.3
189.00183	1.3
207.10197	32.9
208.10542	2.8
211.13322	1.7
213.09161	2.9
213.14888	2.5
219.84488	3.0
221.84232	3.5
225.11264	73.2
226.11642	4.5
239.12909	1.8
257.08136	9.5
257.13876	39.8
257.17328	10.4
257.23883	6.2
258.14236	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	255.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00829	0.3
57.45575	0.3
59.01249	100.0
60.01584	1.3
70.87804	0.9
92.34021	0.3
93.72092	0.3
105.97625	0.3
133.37628	0.4
134.53967	0.3
138.09056	0.3
151.56204	0.3
172.87973	0.4
183.13890	1.1
194.92719	0.6
195.13831	27.0
196.14137	1.6
213.14897	9.7
214.15315	0.6
255.16054	0.6
255.23233	7.8
256.23605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
56.42216	9.0
59.01242	35.4
70.90714	23.4
70.91091	22.2
83.21563	12.1
84.27570	10.0
97.19579	12.3
100.75134	9.7
155.37125	10.6
160.64984	10.7
211.41898	11.9
248.01686	11.1
253.21693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.94873	2.6
57.03313	9.1
58.00454	6.4
59.01252	71.1
59.98268	2.9
69.03328	11.4
69.47725	10.1
69.48154	14.8
71.01237	7.4
73.02810	4.2
83.04899	6.8
89.02316	5.4
90.84747	2.9
95.04841	3.8
97.06456	20.7
98.19800	6.1
101.02308	5.4
109.06453	10.8
111.08042	82.5
113.02355	3.4
113.05959	3.5
119.04901	3.0
121.06453	6.0
123.08053	4.9
125.05963	5.1
127.07538	4.9
127.08853	3.0
132.84212	2.6
135.08026	9.7
137.05948	3.4
137.09569	4.0
139.07576	6.2
141.05476	100.0
141.06580	5.6
142.05836	5.4
143.07089	13.9
150.43236	3.3
155.07036	16.1
156.07353	3.1
161.04356	3.0
171.06586	4.7
173.13319	16.1
191.14368	22.3
199.59111	2.7
207.13834	7.6
235.13353	21.1
253.14412	53.0
254.14583	3.0
267.65686	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	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.16521	1.6
57.03329	2.0
57.26884	1.4
57.80560	1.5
59.01252	100.0
66.22098	1.8
69.37486	15.5
70.64869	1.6
71.01252	20.8
72.99197	2.1
73.02809	2.3
74.62352	1.5
84.98842	1.5
85.02847	3.3
87.00729	4.1
89.02315	15.7
93.06973	1.9
93.91689	1.6
95.01290	1.7
97.02840	1.8
99.00806	1.8
101.02329	15.0
113.02332	7.7
115.25571	1.5
119.03400	3.0
152.85727	1.5
160.61932	1.9
161.04466	10.1
171.10162	6.0
179.05600	2.1
193.07091	10.5
204.01421	1.9
222.65506	1.6
235.13307	2.0
253.04991	2.2
253.09209	20.2
253.14412	8.4
253.21686	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	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01748	3.2
57.03316	2.6
58.00464	4.5
59.01249	100.0
60.01575	1.3
66.46538	0.8
68.51088	0.9
71.01252	64.0
71.57344	1.1
72.01582	1.3
72.99181	5.6
73.02821	7.0
83.01251	6.6
85.02831	13.5
87.00750	7.7
89.02315	58.6
91.03886	3.6
95.01257	5.0
97.02822	1.4
99.00742	3.0
101.02320	64.2
102.02652	1.8
113.02326	29.0
114.02670	0.8
119.03387	14.2
125.02359	1.5
131.03378	2.0
143.03387	5.2
149.04451	2.3
161.04472	25.3
162.04816	1.1
179.05537	8.9
193.07024	1.2
253.09262	75.5
253.18086	1.4
253.21718	3.7
254.09756	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01244	4.0
71.01277	0.7
71.58330	0.7
76.95844	0.4
83.04903	0.9
103.82468	0.5
119.47233	0.5
131.13416	0.5
154.24138	0.6
154.82358	0.5
177.16615	0.6
205.12469	0.5
205.15906	6.1
205.19533	1.4
206.16328	0.7
231.17525	0.9
247.17101	0.8
249.14964	8.7
249.18578	100.0
250.14484	16.0
250.18828	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01245	2.6
59.01651	0.4
70.74129	0.7
71.01244	0.6
83.04902	0.5
85.02841	0.4
88.87582	0.5
97.19624	0.4
104.56063	0.5
133.87045	0.4
142.46725	0.5
174.95676	0.4
183.83887	0.4
229.81059	0.4
233.19073	1.3
251.20140	100.0
252.20518	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	253.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	4.6
59.00946	1.7
59.01249	31.7
71.01243	6.3
71.28326	1.6
87.39878	1.1
89.02310	3.9
93.03313	4.2
95.04892	2.9
96.95881	2.4
101.02308	5.0
106.04120	24.3
107.04916	11.3
108.02039	12.4
113.02316	1.7
117.03337	2.3
119.04911	19.1
121.02837	14.5
123.04396	27.3
124.04716	1.7
130.04109	1.6
131.04874	4.0
132.02036	2.5
133.02847	100.0
134.03136	6.4
135.04388	2.4
138.03120	3.7
145.02916	2.8
147.04419	22.8
149.06024	1.7
151.03912	11.6
156.23035	1.4
161.04489	2.5
161.05962	7.4
162.49135	1.1
163.03920	2.7
165.05475	69.8
166.05774	4.3
173.37440	1.2
175.03915	85.3
176.04280	4.1
188.74429	1.1
193.04985	50.0
193.06795	2.1
194.05382	1.8
205.04941	7.6
209.04526	2.0
226.07129	1.3
249.29788	1.3
253.06987	2.7
253.09126	3.8
253.14453	1.9
253.21643	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	249.1493
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
59.01238	0.6
63.61406	0.4
65.63651	0.4
71.01228	0.5
71.13587	0.5
71.14127	0.9
73.02810	0.6
84.83160	0.4
98.39123	0.5
99.16135	0.4
108.95265	0.5
189.12769	1.9
205.15916	59.4
206.16298	4.4
219.02928	0.5
234.05328	0.6
248.57953	0.6
249.14941	100.0
250.14484	37.8
267.11191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.42010	1.2
57.03320	1.9
59.01250	14.3
61.98685	1.5
66.50127	1.4
69.03322	38.3
71.14751	3.2
74.75629	1.4
83.04893	3.8
95.04881	3.3
96.69211	1.4
96.95879	1.9
97.06452	2.6
103.91924	3.7
111.00777	1.5
119.04916	2.4
130.94243	5.0
133.02901	1.7
134.07260	1.7
139.55705	1.4
143.26672	1.3
145.96611	2.3
147.94572	1.9
149.09630	1.7
149.13313	3.0
165.95584	4.5
167.10672	4.3
168.88982	2.8
171.10199	1.5
184.50291	3.5
187.14850	3.5
189.95645	1.9
193.12221	7.3
205.12296	9.1
205.15929	12.9
207.96745	5.5
220.14621	1.6
221.15387	18.3
231.13847	32.6
232.14220	3.8
248.58104	3.9
249.07755	4.7
249.10974	2.7
249.14929	100.0
250.10994	1.6
250.14960	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	249.1162
Annotation	CHEBI:83078
Peak:m/z	Relative Intensity
59.01241	1.6
61.98697	0.8
70.10664	0.9
70.11057	1.3
79.95572	2.7
87.87022	0.4
88.84543	0.4
95.95112	1.5
96.95883	100.0
97.25072	0.5
103.91889	0.7
130.94273	1.0
147.04408	0.5
147.94568	0.7
160.02182	0.5
165.95619	1.1
168.88882	1.1
191.01978	0.6
205.08798	0.5
205.15913	1.5
207.96638	1.6
227.61046	0.4
248.58023	0.5
249.11618	64.4
249.14825	7.5
250.11925	4.5
250.14609	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1128
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
50.16359	0.8
51.76399	0.7
57.03321	25.2
58.00451	1.8
59.01252	2.4
59.51629	0.8
69.03336	5.6
69.55125	5.8
71.01264	0.8
72.99172	0.9
73.02824	0.9
79.05403	2.4
79.73769	0.7
80.02528	1.0
81.03330	13.8
81.06961	0.7
83.04887	5.3
85.02825	2.0
93.03332	5.1
93.06962	2.7
95.04880	5.6
97.02801	3.9
97.06474	0.8
105.06950	2.1
106.04132	1.3
107.04906	5.1
109.06468	8.0
111.04392	4.5
113.01462	0.7
117.06969	1.6
119.04929	1.0
120.05694	2.1
121.06446	2.0
123.04414	2.9
123.08040	5.0
123.52678	0.7
125.05962	2.4
130.94231	1.1
131.04883	0.8
133.06470	4.7
135.08046	35.7
136.08405	1.4
137.05966	2.5
147.04477	0.8
147.08047	6.8
151.07538	2.7
153.09087	1.3
155.03369	1.7
159.08046	1.0
161.09636	2.7
163.07578	0.8
163.11237	1.9
165.95566	0.8
169.04977	2.9
169.10126	1.6
173.09579	1.0
175.11269	1.0
177.09085	1.7
177.12775	1.8
179.07042	7.2
185.09718	1.6
187.11220	12.7
191.07056	2.2
198.40456	0.9
200.29659	0.9
205.12277	18.6
205.16057	1.3
206.12535	1.3
207.96802	1.2
221.11906	0.8
231.10168	5.8
249.11282	100.0
249.14966	8.2
250.11610	9.0
250.14499	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	249.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22935	0.4
59.01255	2.3
61.98691	0.6
69.03321	0.7
71.01254	0.7
71.04883	3.6
71.37056	0.8
73.22948	0.4
78.88377	0.5
79.95604	1.0
80.02539	5.4
80.76308	0.4
81.03329	0.6
84.02034	16.2
85.02810	0.7
93.03352	0.9
95.04903	1.3
96.95920	0.6
97.02837	0.9
103.91960	0.9
117.07053	0.5
121.02683	0.9
123.04435	0.6
125.09641	1.4
127.59453	0.5
130.94290	1.9
133.02895	0.6
141.09134	4.0
145.96664	0.5
147.94531	1.2
151.07512	0.5
151.11235	1.5
153.12764	5.4
162.10493	0.6
163.11160	4.2
164.11719	0.5
165.08911	0.8
165.95607	1.5
175.11172	0.5
177.01843	0.5
177.05351	0.5
179.10706	4.2
180.11464	0.9
181.08376	1.2
181.12241	1.5
182.13039	1.3
189.95612	0.8
191.06845	0.7
191.10490	1.1
193.08469	2.5
193.12035	2.5
201.08896	1.5
203.06877	0.6
203.10445	3.5
204.04266	0.6
205.08571	1.0
205.12099	1.8
205.15891	0.9
207.10025	0.7
207.96704	2.0
209.07916	1.5
209.11781	2.3
213.08922	0.6
217.08374	0.7
219.10019	5.3
221.11584	13.0
222.11903	0.9
225.07434	0.8
227.09038	0.7
231.09978	41.6
232.10294	2.6
235.09476	2.3
237.11082	1.7
247.09486	4.0
248.09923	1.0
249.11079	100.0
249.15181	4.2
250.11423	7.5
250.14522	2.7
265.10553	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
58.11683	0.1
59.01231	0.2
63.21947	0.1
86.26436	0.1
89.02322	0.2
91.04398	0.1
100.34897	0.1
121.02846	0.1
147.79424	0.1
165.01787	0.2
174.99098	0.1
184.00081	0.4
186.95453	0.2
191.42766	0.1
192.86957	0.1
202.75946	0.1
204.15204	0.1
205.15883	0.4
220.16998	0.9
230.67755	0.1
231.13908	0.7
247.02505	0.4
247.16994	100.0
248.07956	0.4
248.17339	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	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.5
69.03338	1.4
70.86097	1.2
71.01237	1.5
71.58132	1.0
101.02341	1.3
103.27770	1.1
103.91920	3.8
116.35377	1.1
117.66522	1.2
121.76467	1.1
127.07534	4.4
130.94249	6.0
145.96675	2.4
147.94562	3.1
165.95645	5.7
167.06778	3.0
175.03989	1.6
179.06944	1.2
179.10686	2.5
181.12250	21.7
182.12566	1.3
189.95601	2.8
195.06706	1.3
199.07408	1.6
201.08842	2.2
203.10442	8.7
204.04236	1.6
205.08510	1.6
205.15930	1.5
206.16492	1.1
207.96713	6.6
217.08382	3.0
219.10002	6.0
221.11557	7.0
223.13100	50.6
224.13380	3.1
233.07874	6.3
235.09473	11.1
237.11024	16.8
238.11278	1.2
241.14198	2.4
249.11067	68.7
249.14864	17.4
250.11375	5.6
250.14526	6.6
251.09068	1.2
265.10571	12.7
266.10541	1.1
267.12128	100.0
268.12537	8.7
269.12543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1337
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
58.19389	1.2
59.01243	4.8
63.17227	1.2
71.58225	1.4
72.99155	3.2
81.03314	4.1
83.04905	1.5
97.06460	3.3
111.08110	1.3
119.08540	2.9
121.02831	3.1
121.06482	13.6
121.10097	2.3
128.99765	1.2
134.03482	1.2
137.09615	98.4
138.09953	4.9
147.08052	43.5
148.08376	2.1
165.01819	1.3
174.99121	2.9
186.95509	4.4
187.11217	12.8
187.65871	1.2
191.55902	1.6
203.14334	72.1
204.14648	5.7
205.00162	1.7
247.09489	3.2
247.13350	100.0
248.13737	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	42.7
60.01585	0.8
65.14932	0.4
66.55630	0.3
71.58153	0.6
74.02338	0.6
78.95762	2.5
96.95864	1.0
96.96903	0.5
127.11187	5.2
138.39708	0.4
139.11140	1.9
152.99475	1.6
155.10638	2.4
157.12244	19.6
158.12605	0.8
171.00520	0.6
173.82950	0.4
185.11746	15.6
186.12096	0.9
191.03365	0.4
203.12811	100.0
204.13148	5.6
215.11113	0.4
233.18781	0.4
233.67882	0.4
245.04355	2.0
245.08151	0.7
245.11588	0.7
245.13858	4.4
246.14803	1.0
257.24329	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	245.1389
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
56.45791	0.7
57.03314	1.7
71.04880	1.3
71.38500	1.3
78.95782	1.6
83.04889	1.2
97.06445	1.5
97.07484	0.7
108.25245	0.7
111.08075	4.5
123.46451	0.7
127.36102	0.7
137.37672	0.7
137.64836	0.7
152.12807	0.8
152.99521	1.7
155.14250	1.5
163.11096	1.0
165.12752	20.3
166.13103	0.9
181.12364	1.0
183.12154	1.0
183.13820	19.6
184.14128	1.4
192.61375	0.8
201.14905	11.4
202.15184	0.8
209.11760	13.1
210.12173	1.1
225.11253	1.5
227.12830	55.4
228.13159	4.8
234.77405	0.7
245.13896	100.0
246.14204	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.8
66.25829	1.2
70.23846	3.0
70.24256	2.5
71.01234	1.6
71.04877	5.0
73.02806	3.6
80.49715	1.1
83.22236	1.2
99.04388	1.7
101.05956	1.3
118.75241	1.0
123.08007	1.4
125.09597	7.4
127.11173	3.7
141.09100	3.3
141.12750	1.4
153.09119	2.0
155.10660	2.1
165.12686	3.2
169.12283	1.4
171.10170	13.0
172.10591	1.6
183.13882	1.4
185.11705	2.5
190.54413	1.1
191.10703	1.6
192.11060	1.1
197.11766	5.5
199.13298	1.3
201.11275	5.8
209.11795	13.4
210.12115	2.0
213.11240	4.1
215.12820	74.6
216.13115	5.2
217.08810	1.3
227.12822	100.0
228.13147	6.8
245.08199	1.4
245.13788	17.2
245.15878	2.9
246.14708	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.6
59.01223	1.8
59.93300	1.2
70.80460	3.1
71.04883	4.0
73.02844	1.6
78.95767	3.2
83.04896	1.5
97.06464	2.5
99.04372	1.3
100.61421	1.3
110.93639	1.1
123.08041	1.3
125.05972	1.4
125.09595	7.4
127.11152	3.1
141.09151	2.7
143.10626	1.3
152.99457	2.0
153.09129	1.6
158.52829	1.1
164.35588	1.4
165.12718	3.6
171.00517	1.4
171.10155	13.2
174.99153	1.3
179.10526	1.9
185.11871	1.5
191.10695	1.2
197.11713	6.5
201.11182	4.5
204.53993	1.3
209.11777	15.1
213.11305	3.4
215.12827	69.8
216.13138	4.1
227.12831	100.0
228.13155	9.0
245.04323	2.8
245.08293	2.0
245.11703	2.8
245.13899	15.6
246.14607	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	243.1961
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
53.86217	0.3
55.07241	0.3
59.01249	100.0
60.01584	1.3
66.67080	0.2
69.94872	1.7
106.98280	0.3
122.25084	0.3
153.27531	0.3
169.44536	0.3
183.08028	0.6
187.33194	0.4
197.18976	0.8
199.11238	0.6
243.19612	31.9
244.19930	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01245	5.7
63.34346	0.7
64.08762	0.7
69.90736	3.6
71.01253	2.2
72.99176	4.2
78.95773	100.0
82.52365	0.7
89.02319	2.6
96.60505	0.8
96.95901	1.6
96.96821	6.8
98.20521	1.6
101.02306	5.2
102.74460	0.7
117.06577	0.9
119.03387	4.1
150.97870	0.9
152.95879	2.4
152.99481	71.7
160.84375	0.7
170.96915	5.5
171.00545	31.0
209.06491	1.4
222.65826	0.8
245.04283	70.1
246.04675	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	24.5
63.80157	0.9
69.47751	7.3
70.02848	16.5
72.00776	4.6
72.04414	4.0
72.40758	0.9
74.02341	100.0
75.02694	0.9
78.95754	2.2
96.95963	1.0
98.02350	25.9
111.03134	1.2
116.03426	23.3
116.04932	35.3
116.05753	2.0
116.78182	0.8
117.05221	1.3
120.87530	0.8
130.06503	4.1
142.06508	7.9
159.09149	6.4
160.09430	0.9
183.09200	1.7
184.07620	1.9
186.05518	2.7
188.90607	0.8
191.42552	0.9
201.10298	7.2
203.08186	82.4
204.08565	5.5
245.09274	60.6
246.09587	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	245.0928
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
50.88205	0.5
57.52965	0.6
58.02845	24.6
58.23255	0.4
64.24786	0.5
69.67966	3.6
70.02848	15.9
72.00768	4.7
72.04414	4.3
74.02339	100.0
75.02671	1.2
78.95813	0.5
80.69609	0.5
98.02351	23.3
102.19170	0.5
116.03420	32.4
116.04929	32.6
117.03782	0.8
117.05266	1.1
130.06512	5.1
142.06517	7.7
149.44402	0.5
156.08209	0.7
159.09175	6.3
160.02473	1.0
173.09615	0.6
182.59015	0.5
183.09203	2.3
185.62270	0.5
186.05478	1.1
201.10246	10.4
203.08186	93.0
204.08513	5.8
245.09267	84.5
246.09557	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	243.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.4
61.54763	0.5
68.73248	0.6
71.58760	0.7
76.88549	0.7
79.95578	0.6
82.02846	0.9
95.08810	0.7
96.41956	0.5
106.14026	0.5
108.02096	0.7
110.02336	3.4
140.89514	0.6
152.03496	0.7
159.47385	0.6
172.05196	1.2
181.12331	0.5
183.08066	2.8
183.13943	0.5
199.11256	5.6
199.13060	1.0
200.05661	1.0
211.13338	4.7
225.14926	0.9
227.02385	2.4
243.06470	1.4
243.10373	2.0
243.15981	100.0
243.93689	0.6
244.16341	8.3
255.91586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1961
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
50.91980	0.6
56.52874	0.7
57.03310	0.7
59.01241	2.0
66.03371	0.9
66.37965	0.7
68.88244	0.9
69.35192	0.7
69.57703	5.5
72.99165	0.7
82.02815	0.8
88.70985	0.6
110.02367	5.3
127.24662	0.7
147.26443	0.7
152.03392	0.8
156.84711	0.9
162.83792	1.0
169.15926	1.0
172.05257	1.3
181.15894	1.1
183.08095	2.7
195.17410	4.0
197.19052	70.2
198.19377	6.0
199.11258	5.5
200.05664	2.2
200.11649	1.0
225.11150	0.9
225.18532	2.4
243.06445	1.5
243.10179	1.4
243.19623	100.0
244.19958	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06881	1.3
57.03328	4.4
58.58229	1.3
59.01252	94.8
65.01327	1.6
71.58472	1.9
72.99195	2.0
73.02821	4.9
81.84961	1.4
82.02830	1.7
96.95860	2.8
99.52753	1.3
103.53038	1.3
105.40173	1.6
110.02323	1.9
119.22508	1.4
129.05528	1.7
135.04384	3.0
137.09612	2.3
139.11186	48.0
163.11189	2.3
163.17105	1.3
165.09137	3.1
176.03957	2.1
181.12263	34.4
182.12593	2.5
183.10191	67.4
184.10582	6.2
199.11395	3.1
199.13316	27.7
201.11288	6.4
207.10217	1.7
225.11287	20.2
226.11560	1.9
243.02702	2.2
243.12350	100.0
244.12679	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.89888	0.5
57.03304	0.6
59.01234	1.1
63.49674	0.5
68.26118	0.5
69.32274	3.2
69.32697	1.8
71.04886	2.4
83.04872	0.6
97.02824	3.2
97.06455	1.5
99.00752	15.6
109.06451	0.9
110.02398	0.7
110.03629	1.1
123.08019	1.0
125.09589	4.3
133.03938	0.5
135.08012	0.8
138.09760	0.6
142.02625	1.6
153.12747	0.6
155.14294	1.9
163.11206	5.1
168.62694	0.5
171.10214	0.8
172.05182	1.1
181.12262	16.5
182.12677	0.6
183.08070	1.9
197.11760	1.3
199.11227	4.6
199.13319	17.3
200.13780	1.4
204.14566	0.6
207.10193	30.5
208.10529	2.1
210.58461	0.5
222.03296	0.5
225.11263	60.1
226.11606	4.5
243.12335	100.0
244.12643	7.7
244.14964	0.8
255.42928	0.6
256.71667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
52.57742	0.4
56.87310	0.4
59.01229	0.4
59.11130	0.4
69.87001	1.5
69.87414	0.8
70.63351	0.4
110.02342	0.8
140.66977	0.4
152.03485	0.5
153.12791	0.4
155.12239	0.4
156.72119	0.4
178.13998	0.4
181.15903	39.3
182.16290	2.9
183.08057	1.7
199.11163	1.4
199.16980	0.7
225.14914	47.4
226.15283	4.2
243.15987	100.0
244.16328	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03315	3.8
57.14332	0.8
57.79647	0.8
59.01250	72.7
60.01600	0.8
65.01296	1.0
66.16882	0.8
69.54099	6.3
71.04881	1.4
73.02810	4.8
82.02843	0.8
85.02782	1.1
95.04930	1.2
99.00733	2.0
110.02325	1.1
113.06034	0.9
129.05368	1.0
135.12617	0.8
139.11185	39.3
140.11566	1.2
145.05074	0.8
163.11205	2.5
165.09122	2.3
173.04688	0.8
181.12257	28.7
182.12585	1.3
183.10188	55.0
183.13779	1.8
184.10507	3.0
199.11252	2.6
199.13309	31.5
200.05571	0.9
200.13658	1.3
207.10225	6.3
218.87173	0.9
225.11295	30.1
226.11688	2.3
243.06915	2.0
243.12334	100.0
243.15839	5.8
244.12608	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46014	1.4
55.13023	1.1
57.03310	4.3
57.58860	1.1
59.01248	72.7
65.01299	1.6
65.99693	1.3
71.04871	1.5
71.58045	1.8
73.02808	5.6
91.02914	1.3
110.02389	1.7
129.88023	1.2
137.09621	2.0
139.11177	36.0
163.11244	1.8
165.09070	2.0
166.23187	1.6
172.05168	4.5
181.12262	28.2
182.12514	1.8
183.08118	6.1
183.10173	56.7
184.10518	3.9
199.11209	17.3
199.13318	20.7
200.11552	1.8
207.10339	1.6
225.11259	21.5
243.10440	5.3
243.12346	100.0
244.08424	1.5
244.12650	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37572	0.9
57.03326	2.3
58.94866	0.9
59.01249	67.9
60.01586	1.1
64.64881	0.8
65.01315	0.8
68.01276	0.8
69.03319	2.6
69.65037	5.4
71.01277	1.3
72.99181	10.4
85.06466	3.1
107.08533	4.5
110.02326	1.8
121.10137	2.2
125.09600	2.3
129.15198	1.0
137.09552	1.6
139.11188	4.2
155.10663	4.5
158.64655	0.9
160.04944	0.9
171.10216	1.0
172.05247	2.2
181.12225	2.4
183.08214	3.2
183.10187	64.5
184.10526	4.4
198.06277	0.9
199.09665	1.3
199.11203	7.2
199.13078	1.5
201.11252	100.0
202.11598	5.7
207.10112	2.1
225.09315	1.1
225.11194	5.6
237.96391	0.9
243.02802	1.2
243.06497	0.9
243.10161	2.6
243.12337	11.5
243.15997	2.2
244.08362	1.0
244.12680	1.2
246.05432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.03285	1.0
55.01744	1.0
57.03305	1.0
59.01240	2.2
69.47468	0.8
70.30395	3.4
71.01253	1.7
71.04899	4.6
83.04897	2.0
97.02830	7.2
97.03783	0.9
97.06463	3.0
99.00755	26.6
109.06438	1.2
110.03624	3.6
123.08075	1.1
125.09637	8.4
127.11180	1.8
135.08015	1.1
136.05142	1.2
140.72838	0.8
142.02612	3.5
153.12733	1.5
155.14305	2.7
161.09506	0.9
163.11192	11.1
169.92874	1.1
181.12260	30.7
182.12595	2.4
183.08034	1.4
184.26608	0.9
197.11803	2.0
199.11293	2.5
199.13322	24.5
200.13760	1.2
207.10204	59.3
208.10571	5.1
225.11273	100.0
226.11681	7.0
243.12346	89.0
244.12715	6.7
244.14854	1.2
257.95868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
51.81744	0.7
59.01240	1.5
66.03359	15.5
67.90398	0.7
68.01291	3.2
68.19814	0.6
69.85410	2.6
70.02828	0.9
71.01254	1.7
79.01766	0.9
81.19965	0.6
82.02854	32.9
83.01260	1.3
83.03196	0.9
84.04419	1.0
94.02863	4.2
95.01230	0.6
96.00797	0.9
96.04430	1.7
97.98908	0.6
105.29797	0.6
108.04453	2.5
110.02365	100.0
111.01898	6.2
111.02697	2.1
117.01844	1.7
117.41779	0.7
120.04424	0.8
122.02377	10.0
124.03929	2.6
125.59582	0.7
132.02888	1.1
138.05481	0.7
140.03445	11.8
152.03452	17.1
153.02951	8.4
182.04491	0.8
200.05591	39.8
201.05901	1.8
243.06200	27.9
244.06415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.5
66.03357	0.9
69.23721	5.4
75.07241	0.5
82.02864	0.8
82.06488	2.4
83.04878	0.5
85.06453	1.1
86.36990	0.6
87.00737	0.8
89.81651	0.5
93.03327	0.5
97.94878	0.5
100.07547	1.7
101.05962	0.9
110.02351	2.1
133.02794	0.7
135.04428	0.9
170.15411	15.1
171.15758	0.9
172.05199	2.3
176.03920	0.5
181.15878	0.6
183.08046	3.8
198.09981	1.6
198.14917	100.0
199.11211	6.2
199.15201	8.2
200.05617	0.8
225.15005	0.7
226.02614	2.0
227.02536	0.6
227.06700	1.2
242.08829	0.9
242.13844	3.5
242.17751	2.0
242.22244	0.8
243.06496	1.2
243.10092	1.9
243.12321	0.8
243.15912	1.7
243.19641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.4
70.95472	0.7
70.95789	0.6
97.06462	1.2
99.08027	5.7
112.95023	0.5
113.09620	2.6
125.09599	2.4
182.07251	1.0
184.00107	3.5
195.17444	1.9
197.09669	4.5
198.10101	0.6
205.15860	0.6
223.16959	1.4
226.06316	3.3
239.16473	1.9
241.07011	1.6
241.08733	2.1
241.18045	100.0
242.18388	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	241.1805
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.26719	0.2
59.01246	1.7
61.98671	0.3
67.73342	0.2
70.28144	0.7
70.28539	0.4
83.02382	0.5
94.71101	0.2
99.22428	0.2
137.76456	0.2
165.12762	2.5
168.88907	0.4
182.07228	0.6
184.00139	1.0
193.15865	0.4
197.09647	3.2
197.15433	0.4
198.09946	0.4
199.13414	0.3
211.16974	20.7
212.17352	1.6
223.16994	14.6
224.17358	1.4
226.06349	2.0
239.16495	0.7
241.09035	1.7
241.18053	100.0
242.09047	0.3
242.18394	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	241.1077
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03310	1.5
59.01258	1.3
65.01322	0.5
69.03327	3.8
71.01234	0.8
71.04892	4.8
71.58060	0.9
72.99153	0.5
83.02368	0.7
83.04885	1.5
95.19079	0.5
97.06497	0.9
123.08102	1.0
125.09608	1.7
127.74091	0.5
141.91577	0.5
151.11176	1.1
153.12740	3.1
161.09637	1.7
171.24551	0.6
179.10695	7.8
182.07318	1.1
190.37257	0.5
197.11755	100.0
198.12083	8.2
223.09636	2.6
226.06308	2.8
241.08748	3.1
241.10776	73.0
241.21765	1.8
242.11107	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0955
Annotation	Musclide B
Peak:m/z	Relative Intensity
59.01247	4.4
62.62012	0.2
70.03565	1.0
79.95588	3.2
87.00751	1.1
95.95084	1.4
96.95887	70.6
161.04433	0.6
179.05513	3.0
211.07559	0.4
221.08504	1.4
239.09535	100.0
240.07492	0.4
240.09886	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	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.61034	0.5
55.10456	0.7
56.24157	0.7
57.03329	5.7
59.01251	100.0
60.01591	1.9
64.85046	0.7
67.05400	0.6
70.98888	1.6
71.04882	0.8
73.02847	1.0
83.04908	1.4
96.95891	1.2
97.06490	0.8
99.04397	3.0
109.06450	0.7
119.08552	4.4
135.08104	0.9
137.09622	7.5
161.09732	1.1
163.07588	2.0
179.10681	3.7
181.08633	18.4
182.08923	1.0
184.98677	0.6
191.10416	0.9
197.09955	1.6
197.11758	36.8
198.12195	2.0
223.09784	1.3
226.06364	2.9
241.08569	1.6
241.10788	14.3
241.14505	1.2
241.18051	0.9
242.11075	0.7
244.35638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.4
59.96591	0.5
62.20767	0.2
66.91474	0.3
70.58726	0.3
70.59067	0.7
71.01248	0.3
74.98943	9.7
75.96085	0.5
85.02822	0.3
87.00745	1.4
91.02084	10.0
92.02017	0.3
93.00007	7.4
93.73402	0.2
96.95863	0.3
99.00729	0.2
117.01804	0.3
140.44086	0.2
149.00868	4.1
150.00882	0.2
161.04451	1.6
176.40904	0.3
179.05548	5.8
206.99643	2.1
207.99866	0.3
211.07584	1.0
223.02788	100.0
224.02835	12.3
224.96931	0.3
226.33917	0.2
239.07263	4.5
239.12759	0.5
241.03886	3.1
242.04265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34249	1.5
50.36644	1.7
58.99471	10.1
59.01249	100.0
60.01570	2.4
61.34284	1.6
62.33781	1.8
69.08331	1.7
69.50551	2.3
69.50957	12.0
71.01248	7.0
73.02848	2.1
74.98952	2.7
75.92873	1.6
82.76318	1.9
85.02821	5.5
87.00749	18.9
89.02297	4.7
96.95888	2.4
99.00774	2.9
101.02307	4.9
112.20560	1.5
117.01841	3.7
125.02345	3.3
149.04431	2.3
161.04460	16.0
165.03938	2.5
169.90472	1.8
179.05530	42.9
207.40855	1.5
211.19934	1.8
239.07426	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	237.1492
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
52.83386	1.4
54.15955	1.4
59.01250	100.0
61.41999	1.6
61.98706	2.6
68.01293	2.3
68.02388	2.1
69.03328	20.1
70.14715	6.3
70.15122	2.9
71.01250	6.2
72.99173	1.6
73.02818	3.2
75.00755	1.7
76.01150	1.6
78.10989	1.6
78.95768	9.1
83.04939	1.6
85.02820	5.9
96.95880	3.1
97.06464	40.4
98.06849	2.3
98.19881	3.1
101.02319	6.4
105.50540	1.8
116.92734	4.5
121.02856	2.1
121.10112	6.5
122.03619	4.8
123.00764	5.4
123.08044	40.4
124.08348	2.2
129.23837	1.9
139.07536	5.7
147.11697	8.9
150.93295	1.6
161.04369	2.7
167.07022	4.8
172.06165	3.2
175.14830	6.9
178.09938	3.2
179.10692	33.1
179.52777	1.5
180.07828	4.5
182.28014	1.5
193.08664	3.1
193.12312	2.8
193.16077	2.0
209.94890	2.4
210.07726	1.9
219.13806	6.7
236.97319	2.1
237.11298	2.8
237.14912	91.1
238.05000	2.7
238.15198	10.2
242.92509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
57.03320	5.0
58.32129	1.1
59.01250	36.6
61.98696	2.7
71.01254	5.0
71.58514	1.1
72.99178	1.5
73.02830	1.8
75.00756	1.1
78.91750	1.2
78.95773	3.8
79.95608	2.3
83.04899	1.4
85.02811	3.4
96.95886	100.0
101.02316	4.8
104.64806	1.2
106.04040	1.5
106.90125	1.1
107.04904	1.1
109.06440	2.8
111.04416	1.4
111.08029	3.1
111.28837	1.1
113.02313	3.6
115.36472	1.1
116.92728	3.3
118.02879	1.3
123.08054	3.1
125.09604	5.2
129.59299	1.2
136.98462	1.2
154.90494	1.4
177.09079	1.2
178.09496	2.0
179.10712	5.6
179.95279	1.1
187.53174	1.2
193.01248	1.2
193.11951	2.1
193.15872	3.7
219.13829	2.6
237.11563	68.7
237.14888	28.6
238.11807	4.8
238.15218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25833	0.2
59.01252	2.2
61.98698	0.7
62.48507	0.2
64.74202	0.2
70.02166	0.4
70.02581	0.7
71.01230	0.3
83.98162	0.2
85.02827	0.2
96.95875	0.4
121.06439	0.2
134.03639	0.6
135.04431	0.4
136.05170	0.6
140.26743	0.2
148.05197	9.4
149.05780	0.4
149.09622	1.3
151.07607	0.2
157.15298	0.2
162.06717	0.5
163.07571	0.3
172.27679	0.2
175.04063	0.2
175.07588	0.4
175.38887	0.2
176.08359	0.7
177.09126	45.5
178.09467	2.9
179.10721	0.3
180.07899	0.3
189.09105	0.2
190.09903	1.9
191.10699	0.7
192.11482	31.9
193.11873	3.2
201.09091	0.9
203.07080	0.6
206.09528	0.3
208.14279	0.2
217.08658	3.6
218.09418	9.2
219.09830	0.6
224.10622	0.3
228.11009	0.2
228.80418	0.2
236.10497	100.0
237.10863	9.7
237.14824	0.3
241.56589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1491
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03038	1.0
57.03319	17.5
57.26220	0.5
58.03648	0.6
59.01247	20.4
61.98687	2.1
63.84702	0.5
65.02076	0.5
69.03311	0.7
69.44206	4.3
71.01253	2.9
72.99203	0.7
73.02814	0.8
78.95774	2.8
83.01258	0.7
83.04899	3.1
85.02830	1.5
96.95892	1.2
97.06424	0.8
98.19794	1.2
101.02330	2.0
101.10703	0.6
101.77027	0.5
109.06476	1.5
109.97921	0.6
113.02282	1.3
114.33549	0.5
116.92714	1.1
122.03571	0.7
123.08057	1.3
125.09612	0.7
134.18248	0.5
135.04437	0.7
135.11691	0.6
149.09621	0.6
150.93361	0.7
152.06888	0.7
154.90527	0.7
154.99510	0.7
167.10693	2.8
177.12787	1.2
178.95059	1.0
179.10672	5.9
193.15886	4.2
194.98065	0.7
195.13846	4.2
219.13832	1.4
237.14912	100.0
238.15256	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	235.17
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
55.52623	0.2
59.01252	11.7
60.01605	0.3
61.01659	0.3
61.98692	0.6
61.99194	0.2
66.03362	0.3
68.02419	0.4
70.97227	0.5
71.01254	1.1
83.04900	0.8
85.02831	0.3
85.80629	0.2
86.23920	0.3
94.02876	1.3
97.06523	0.3
101.02361	0.4
104.17445	0.2
148.05220	0.3
148.93805	0.3
151.11292	0.3
161.19484	0.2
163.14853	0.6
164.03448	0.3
166.83868	0.2
177.09155	0.3
191.17975	2.1
207.13905	0.4
207.95207	0.6
217.06166	0.9
217.15923	1.5
233.15445	1.6
234.15793	0.3
235.17004	100.0
236.10583	0.5
236.17329	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	235.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67736	2.3
54.01143	2.3
54.12313	2.7
55.01756	10.7
57.03322	16.3
58.00461	3.2
59.01249	56.5
68.12112	2.8
69.03314	2.8
69.59191	15.3
71.01247	79.5
72.99174	5.6
73.02813	34.4
75.00691	2.9
83.01249	25.6
85.02815	52.0
85.99997	2.8
87.00723	3.0
89.02303	5.5
95.01244	5.7
96.95874	2.9
98.19747	2.4
99.00763	12.7
101.02320	100.0
111.00739	4.9
113.02325	33.7
118.88637	2.0
159.02850	5.0
161.04497	12.2
169.04887	2.1
174.18175	2.2
191.14326	3.9
235.06409	3.1
235.09476	4.2
235.11693	11.3
235.13794	18.2
241.36304	2.2
251.94818	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	233.1542
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01249	2.5
70.81301	0.4
70.81622	0.1
143.63324	0.1
176.36787	0.2
217.12273	0.7
233.15425	100.0
234.15773	10.2
250.11940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1495
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.05074	0.2
59.00946	0.5
59.01246	9.1
60.01567	0.9
62.94935	0.2
67.96034	0.3
68.02386	0.2
68.41361	0.2
69.87478	0.5
69.87885	1.1
70.02714	0.2
70.97592	0.2
71.01237	0.3
80.98914	0.2
94.02868	0.4
98.19876	0.4
101.41544	0.2
151.07640	0.3
179.07159	0.5
189.98820	0.4
207.13776	0.8
218.11813	2.0
218.99602	0.3
219.12317	0.3
233.97951	0.3
234.14944	100.0
235.15295	9.8
251.11588	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	235.0243
Annotation	Methylspinazaline
Peak:m/z	Relative Intensity
50.44352	0.2
50.85605	0.2
55.91918	0.2
59.01247	3.9
61.98700	0.4
63.02269	3.5
65.00186	1.8
65.03831	0.4
65.99719	0.3
80.02541	1.4
80.87447	0.3
92.02497	0.4
94.02863	0.4
95.01258	1.7
95.10556	0.3
96.95853	0.3
97.02792	0.5
98.19774	0.9
104.02544	1.0
107.01287	1.5
108.02052	5.8
119.01287	0.3
121.02836	0.8
123.00793	0.3
124.01516	0.5
125.02319	1.0
127.00261	0.4
130.99309	0.3
131.01266	0.8
132.02080	2.6
135.00763	1.0
135.04390	0.4
147.00772	0.4
147.08047	2.0
148.01569	5.4
149.02347	0.4
151.00240	1.2
155.93158	0.3
161.02309	0.4
169.01257	0.4
175.00235	0.5
176.01059	34.7
177.01378	1.9
180.00572	0.6
181.05038	0.4
191.03410	1.2
191.07048	1.2
191.10631	0.3
192.00406	0.3
193.01378	0.5
202.99792	0.7
207.02975	0.3
207.13763	0.6
217.06105	0.4
235.02425	100.0
235.13249	1.4
236.02788	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	233.0943
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
59.01248	7.7
69.50459	0.4
71.37814	0.7
78.95773	100.0
93.78566	0.4
96.96835	77.0
121.51307	0.4
147.02570	0.4
171.60405	0.4
232.97491	0.5
233.09435	57.1
233.15424	6.0
234.09770	3.7
234.15617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21885	0.4
59.01249	12.4
60.97372	0.6
70.65028	1.2
74.98941	6.9
74.99347	0.6
81.25472	0.4
83.18892	0.3
86.93690	0.4
91.02097	0.9
93.00009	3.8
94.63749	0.4
105.10853	0.3
118.96105	0.7
134.99277	8.1
135.99307	0.5
136.97192	2.8
148.62761	0.4
149.00858	76.6
150.00835	4.0
150.98799	0.6
152.96695	0.4
159.08409	2.2
161.06303	5.3
165.20634	0.4
188.98448	0.9
201.74382	0.4
205.67247	0.4
214.10074	0.3
215.05551	1.2
217.07155	97.8
218.07285	11.1
233.10297	100.0
234.10448	10.0
235.08199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1594
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03319	1.9
58.18248	0.3
69.39558	1.6
69.39984	1.0
106.49057	0.3
116.63031	0.3
127.11161	2.2
134.03670	0.4
136.59593	0.3
145.04004	0.4
155.14333	0.8
171.10182	4.9
183.13846	0.6
185.15378	0.6
187.11162	1.4
195.13818	0.6
213.12918	0.4
213.14882	3.8
229.14413	3.2
230.14754	0.3
231.15964	100.0
231.62833	0.3
232.16315	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	231.1598
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
54.93584	0.2
57.03335	1.2
57.03553	0.2
59.01232	0.2
62.72601	0.2
69.51706	1.2
69.52133	0.6
99.68115	0.2
102.52759	0.2
121.78622	0.2
122.50592	0.2
125.20132	0.2
127.11182	2.2
128.11501	0.2
128.59682	0.2
155.14288	0.9
167.14336	0.5
171.10188	4.1
183.13812	0.6
185.15411	0.3
195.13806	0.5
211.13481	0.3
213.14893	4.5
214.15286	0.3
229.14436	2.9
231.15967	100.0
232.16315	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	230.1395
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
55.95198	0.6
56.99237	0.5
59.01251	6.8
59.40025	0.5
69.50885	2.3
69.51309	2.1
71.01268	0.6
71.04893	21.1
75.46132	0.6
98.19813	1.0
99.04400	1.1
99.92511	0.6
101.05986	0.6
114.09134	4.3
121.86928	0.7
130.08641	32.6
131.09003	1.3
158.08176	0.8
168.13869	1.6
184.13348	0.9
184.17883	0.8
186.14928	14.9
186.98904	0.7
187.15314	0.8
210.22104	0.6
230.13940	100.0
231.03058	0.8
231.06680	0.9
231.14275	7.6
231.17653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1022
Annotation	Drupanin
Peak:m/z	Relative Intensity
57.03320	3.7
59.01247	6.7
65.99705	1.0
68.99660	0.7
69.03316	3.2
70.72321	2.2
73.02809	3.3
79.05386	1.1
83.01270	5.4
85.02812	3.2
93.03310	0.9
95.01278	1.0
95.04872	1.2
97.02825	1.0
107.04884	4.0
109.06480	3.5
111.04415	1.2
119.04900	1.3
119.08524	1.8
121.06453	4.5
121.76888	0.6
122.03590	1.6
123.04413	0.9
129.06995	4.6
130.04147	0.7
131.04871	1.2
133.06467	2.7
135.04384	1.5
135.08032	3.4
136.05087	0.8
143.08542	1.4
144.05673	1.5
145.02940	0.8
145.06476	5.5
146.03622	2.2
147.04324	0.9
147.08040	12.2
148.05064	1.7
148.08342	0.8
149.05977	0.9
155.08542	0.8
157.06458	2.2
158.07080	0.8
159.04431	1.9
159.08055	2.6
160.05132	1.0
161.05994	3.5
161.09607	11.7
162.06647	1.2
163.07564	0.8
169.06494	1.0
170.07271	2.9
171.08060	60.4
172.05246	3.4
172.08394	4.5
173.02350	1.5
173.05989	25.2
173.09596	8.2
174.06578	4.0
183.08037	3.0
184.08594	0.7
185.06024	1.7
185.09633	7.6
186.06725	1.4
187.03947	1.2
187.07559	11.6
187.11140	3.3
188.04691	11.2
188.08284	6.1
189.05260	1.5
189.09131	18.3
190.09471	1.6
191.03471	1.2
195.08148	1.0
196.08537	0.9
197.06017	0.9
198.06789	7.7
199.07518	1.9
201.05496	2.3
201.09111	4.5
202.09853	0.9
203.10661	6.0
213.09143	100.0
214.09499	9.3
215.07016	2.9
216.07944	3.5
231.10213	56.0
232.10687	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	229.1805
Annotation	O-11
Peak:m/z	Relative Intensity
51.97916	0.2
56.91646	0.2
59.01249	0.3
65.38820	0.2
66.54103	0.2
69.38226	0.6
69.38652	1.2
71.01267	0.3
79.86814	0.2
96.76797	0.2
115.49055	0.2
155.14322	0.3
158.17293	0.2
173.70399	0.2
181.15919	0.3
183.17455	4.5
184.17767	0.6
187.13390	0.2
201.47130	0.2
211.13493	0.3
211.16986	2.1
218.80807	0.2
227.16508	0.9
229.14363	3.7
229.18044	100.0
230.18390	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	229.1438
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03321	1.5
59.01242	0.4
60.07499	0.2
65.01310	0.4
69.00745	0.2
69.40345	0.3
70.72974	0.2
70.73330	0.7
71.04900	0.5
80.02505	0.2
83.04894	0.6
84.02032	0.5
85.02821	0.8
96.95889	0.3
97.06453	0.4
106.03973	0.3
122.76498	0.2
123.08054	0.3
125.09597	2.6
127.11177	4.5
132.14816	0.2
145.04024	0.3
147.04384	0.3
155.10748	0.2
155.14331	2.0
165.12732	0.7
167.14348	1.8
171.10179	4.2
183.13849	0.9
185.06004	0.3
185.11638	0.3
185.15410	0.3
193.12245	0.4
199.13481	0.3
201.11224	0.4
201.14832	0.3
209.11755	2.6
211.13359	7.0
212.13632	0.6
227.12823	0.3
229.14394	100.0
230.14713	7.6
230.24471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1805
Annotation	13-Hydroxytridecanoic acid
Peak:m/z	Relative Intensity
59.01252	100.0
60.01591	1.4
69.37651	5.5
72.96704	0.6
77.71774	0.5
104.28329	0.7
137.26341	0.5
173.58601	0.5
183.17532	1.1
217.39178	0.5
229.02516	1.1
229.14702	3.1
229.18045	27.3
230.15326	0.7
230.18378	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	229.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01234	1.3
65.99747	0.7
70.13143	3.2
80.40865	0.7
83.04871	0.7
88.38807	0.6
120.05672	0.6
125.09605	2.9
127.11187	4.4
132.05557	0.6
155.10690	4.4
155.14297	1.4
163.11156	0.7
165.12747	1.3
167.14305	2.6
171.10176	3.5
181.12340	3.0
183.13838	1.5
189.29555	0.6
193.12279	0.8
199.13347	5.3
201.11229	1.4
202.31195	0.6
209.11772	2.5
211.13388	11.9
212.13550	1.2
229.14398	100.0
230.14729	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03316	0.9
67.01759	0.3
69.03315	0.3
70.50822	0.9
71.04897	0.4
83.04902	0.7
84.02037	0.3
85.02818	0.8
87.35986	0.3
88.67011	0.3
97.06461	0.5
111.38768	0.3
115.44921	0.3
124.84306	0.3
125.09613	2.3
125.99944	0.3
127.11172	3.9
140.04666	0.3
143.10684	0.3
145.02776	0.3
154.86778	0.3
155.14323	1.1
165.12743	0.7
167.14317	2.4
171.10196	3.9
183.13857	1.9
193.12335	1.0
194.12648	0.3
209.11752	2.9
211.13336	9.4
212.13707	0.8
229.14406	100.0
230.14761	8.9
241.02109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03325	1.5
59.01241	0.5
65.01305	0.5
65.99734	0.6
71.01252	0.4
71.04871	0.8
71.75558	0.3
77.36642	0.2
78.01476	0.2
79.24196	0.2
80.02493	0.2
82.93029	0.2
83.04894	0.7
84.02045	0.4
85.02822	1.1
91.02886	0.4
95.04842	0.2
96.95865	0.2
97.06464	0.8
106.03977	0.6
120.05568	0.3
125.09608	2.8
127.11176	3.6
129.09091	0.4
132.05598	0.4
133.03976	0.4
134.03479	0.2
155.14317	1.9
160.05049	0.5
165.12737	0.5
167.14334	1.5
171.03001	0.2
171.10162	4.2
176.04512	0.3
183.13795	1.1
187.06023	0.5
187.11253	0.5
201.14943	0.5
209.11781	3.1
210.12213	0.3
211.13370	6.9
212.13702	0.4
229.14403	100.0
230.14748	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
61.77218	0.4
61.93377	0.4
65.01300	0.9
65.99709	0.6
69.03318	0.4
70.91282	0.5
70.91610	0.8
76.23204	0.4
78.12833	0.4
81.03330	0.7
81.29838	0.4
82.04029	0.5
83.04874	0.9
84.51147	0.4
91.02879	0.6
100.53711	0.4
109.06441	0.5
111.08048	3.3
113.09594	1.5
133.03952	0.5
133.05086	0.5
134.03468	0.4
139.07507	0.5
157.08603	31.1
158.08974	1.9
160.05074	0.7
163.11197	1.9
167.10658	0.4
167.14288	0.8
181.12257	33.5
182.12592	2.2
185.05920	0.4
185.11542	0.5
187.06180	0.5
193.12259	3.0
197.11708	0.4
199.13333	22.4
200.13741	1.7
202.06033	0.4
203.52061	0.4
206.14513	0.4
209.11781	0.8
211.13339	42.3
212.13728	3.5
215.18663	0.4
229.14404	100.0
230.14771	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01764	0.1
57.03326	1.7
59.01243	0.2
69.03339	0.1
71.04891	0.7
71.58288	0.1
71.58652	0.1
74.43208	0.1
80.02564	0.1
81.03374	0.1
83.04900	0.8
84.02039	0.5
85.02831	0.9
85.06480	0.1
89.22153	0.1
95.04945	0.1
97.06475	0.5
114.10040	0.1
123.08072	0.2
125.08721	0.2
125.09621	3.4
126.09988	0.2
127.11188	5.2
128.11533	0.2
143.10712	0.2
153.12840	0.2
155.14336	2.0
156.14763	0.1
163.11165	0.2
165.12781	0.9
166.13100	0.1
167.10793	0.2
167.14323	2.0
168.14664	0.2
171.10191	4.6
172.10516	0.3
183.13817	1.2
185.15430	0.2
193.12260	0.2
199.13362	0.2
201.11250	0.6
201.14871	0.4
209.11777	3.1
210.12090	0.3
211.13348	8.0
212.13734	0.7
227.12912	0.4
229.14420	100.0
230.14754	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.4
59.01250	4.7
63.11312	0.3
64.52534	0.3
65.01318	0.7
65.99723	0.3
66.00845	0.4
71.58151	0.5
83.04878	0.7
106.03968	0.4
107.80595	0.3
119.02391	0.4
120.05543	0.3
121.05095	0.4
127.11168	0.7
149.13231	0.8
153.12671	0.4
155.10655	0.4
155.14337	0.8
163.11209	0.6
167.10677	0.3
167.14320	1.1
169.12256	13.1
170.12561	0.6
173.04587	0.3
175.11194	0.6
181.12254	7.1
182.12610	0.5
183.13892	1.4
187.06126	0.3
193.12273	8.1
194.12578	0.6
199.13307	4.0
203.05634	0.4
205.64911	0.3
209.11687	0.5
211.13362	16.9
212.13725	1.2
213.12292	0.3
214.06255	0.3
227.12883	1.2
229.14398	100.0
230.14752	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	229.1439
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.81033	0.5
55.39347	0.4
57.03313	1.3
59.01234	0.8
60.19931	0.4
65.88757	0.5
71.04879	0.6
71.58627	0.7
73.28160	0.5
77.80027	0.5
83.04900	0.9
88.52467	0.4
96.94340	0.4
125.09593	2.1
127.11169	3.9
139.11160	0.5
155.10657	4.4
155.14290	1.1
163.11082	0.6
165.12744	0.8
167.14304	1.7
171.10204	3.7
181.12234	3.7
183.10129	0.9
183.13805	1.4
193.12234	1.4
196.36441	0.5
197.11821	0.5
199.13315	8.3
201.11285	1.3
209.11751	2.5
211.13326	10.9
212.13689	1.1
229.14384	100.0
230.12582	1.0
230.14719	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29299	0.2
57.03321	1.6
57.54889	0.1
59.01251	1.3
70.36446	0.1
71.04874	1.2
71.07154	0.2
71.07487	0.2
83.04881	0.4
84.02031	0.6
85.02811	1.0
95.00624	0.2
97.06470	0.7
101.05933	0.2
113.09699	0.2
123.08016	0.5
123.34620	0.1
125.09600	4.7
126.09953	0.2
127.10258	0.3
127.11171	5.2
128.11497	0.4
141.12755	0.3
153.12775	0.2
155.14323	2.1
155.73756	0.1
156.14664	0.2
160.05058	0.2
165.12729	0.8
167.14302	1.9
168.63519	0.2
171.10150	0.6
178.47842	0.2
183.13815	0.8
185.15353	0.4
205.67953	0.2
209.11771	2.0
210.11935	0.2
211.13315	3.6
212.13655	0.3
229.14394	100.0
230.14726	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.46103	0.2
57.03324	0.3
58.00465	1.4
59.01242	1.0
63.69674	0.2
63.99612	0.2
64.58738	0.2
69.42909	0.8
69.43340	0.8
71.01236	0.6
73.02807	0.2
78.91751	0.2
85.02847	0.2
89.18370	0.2
98.20451	0.4
113.04685	0.2
127.11224	0.2
139.11191	0.2
145.29498	0.2
151.90134	0.2
153.12730	1.9
155.14311	5.8
156.14619	0.4
165.12776	0.4
167.14345	0.9
170.88292	1.3
175.29759	0.2
181.12299	0.4
183.13812	7.5
183.17372	0.3
184.14145	0.5
185.15332	0.4
187.13373	0.2
188.89403	0.3
193.12184	0.2
199.11458	0.3
199.13327	5.0
200.13744	0.3
209.11789	0.4
211.13318	5.4
212.13670	0.5
227.12808	3.2
228.13226	0.3
229.14398	100.0
229.18059	6.7
230.14735	8.1
230.18413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1649
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
59.01231	0.5
60.15051	0.4
71.06596	0.7
71.06947	0.4
100.89683	0.4
104.55099	0.4
123.91998	0.4
165.12735	0.5
181.15947	0.8
183.13885	0.9
183.17514	0.9
208.93434	0.4
209.11752	1.0
209.15382	2.2
227.16481	100.0
227.20163	3.1
228.16830	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03326	0.6
59.01241	1.1
59.52135	0.4
71.01241	1.2
71.58221	0.4
77.01372	0.3
83.04899	0.5
89.23023	0.3
99.07981	0.4
129.05452	2.4
139.11189	0.5
165.12738	0.5
167.14331	28.7
168.14668	1.8
170.71815	0.4
170.88260	0.7
172.05200	0.7
185.05896	0.4
185.15318	0.9
211.13341	18.5
212.13731	1.7
229.02625	0.7
229.14403	100.0
230.14729	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	227.1648
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
54.83278	0.2
56.35006	0.2
57.03312	0.2
58.00459	0.6
59.01251	0.6
64.36433	0.2
69.86920	0.2
69.96588	1.3
71.01257	0.4
80.94965	0.2
83.04905	0.6
97.06489	0.4
99.92442	0.4
111.08060	0.4
123.91911	0.3
132.05711	0.2
141.86635	0.3
146.10770	0.2
163.11163	0.4
165.12804	1.1
179.14313	0.4
181.12241	0.5
183.13828	2.9
184.00099	0.5
184.14076	0.3
185.89291	0.3
185.92036	0.3
197.15375	1.7
199.13321	3.9
200.13591	0.3
208.93456	0.3
209.11758	4.7
209.15353	2.4
210.12166	0.6
212.06790	0.3
225.14891	1.0
227.13150	10.1
227.16461	100.0
227.20137	3.6
228.13184	0.7
228.16801	8.8
228.20410	0.5
244.51939	0.2
249.08081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33677	0.5
57.03325	0.9
58.61022	0.5
59.01235	1.1
65.01286	0.7
69.03320	0.5
69.30534	0.5
70.88178	1.4
71.04889	1.2
71.80465	0.4
72.45544	0.4
72.80415	0.6
80.02538	2.1
81.03321	1.9
83.01218	0.4
83.04895	7.0
84.02042	3.0
86.69412	0.5
95.04905	1.5
96.95885	0.8
97.06439	0.8
99.92456	0.8
123.08028	0.5
125.05965	0.7
125.09593	0.6
130.03963	0.5
130.08647	2.9
135.08026	1.1
137.09599	0.6
139.11249	0.6
153.12671	0.5
163.11163	5.7
165.12743	6.5
167.90877	0.5
168.87616	0.5
181.12280	1.0
183.13826	10.6
185.89244	1.0
191.10692	1.4
199.13304	1.8
209.11763	100.0
210.12105	8.4
223.57156	0.4
227.03445	0.7
227.07043	0.8
227.09109	0.8
227.12814	12.0
227.16467	2.2
227.20094	6.2
228.13216	1.3
228.16029	1.4
228.20538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.82628	0.2
55.01759	0.4
57.34103	0.2
59.01247	0.4
61.91797	0.2
70.64431	0.4
70.64767	0.2
71.01222	0.1
71.04900	0.6
79.62444	0.1
80.02554	2.1
81.03333	1.6
83.01262	0.5
83.04898	8.0
84.02035	3.0
84.05237	0.4
93.03304	0.2
95.04916	1.2
109.06456	0.4
111.08025	0.2
125.05959	0.7
125.09597	0.4
135.08052	1.2
147.11656	0.3
148.98305	0.2
153.12733	0.3
163.11205	5.6
164.11566	0.5
165.11365	0.2
165.12766	4.5
166.13109	0.3
181.12233	1.0
183.13843	0.6
191.10725	1.5
192.10999	0.2
209.11774	100.0
210.12117	8.2
227.12822	2.7
227.20204	0.9
228.13100	0.2
245.18832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17484	0.3
55.01753	0.4
56.92493	0.3
57.03313	0.4
69.93623	1.5
71.04887	0.6
80.02530	2.2
81.03334	1.7
83.01246	0.5
83.04894	8.1
84.02027	4.3
95.04900	1.1
97.06438	0.5
98.19783	0.4
104.66146	0.3
109.06474	0.4
111.08051	0.3
125.06005	0.6
135.08017	1.0
142.90996	0.3
147.11676	0.6
163.11200	6.0
164.11505	0.6
165.12733	4.4
166.13084	0.4
181.12325	0.7
183.13788	1.0
191.10709	1.7
199.13272	0.4
209.11757	100.0
210.12102	9.2
227.12863	3.6
228.13057	0.5
243.24408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.3
60.63519	0.5
65.01328	0.9
71.04899	0.9
71.12312	1.2
80.02551	1.6
81.03345	1.2
83.04897	7.3
84.02042	4.2
88.04638	0.5
91.02872	0.6
95.04876	0.8
97.02819	1.1
106.04025	0.8
109.50518	0.5
125.05961	1.1
125.09579	0.7
135.08051	0.9
155.08142	0.6
159.06738	0.6
163.11182	5.1
165.12759	4.4
173.04605	0.7
181.12248	0.9
183.13840	1.4
191.10709	1.4
200.04395	0.8
201.07716	0.6
209.11760	100.0
210.12074	8.0
218.93774	0.5
227.07330	0.6
227.09169	0.9
227.12820	6.3
227.16461	1.9
227.20119	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	227.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35623	0.3
53.51011	0.3
57.03315	0.9
59.01246	0.7
65.01309	0.8
65.99706	0.5
67.95014	0.3
71.04871	1.3
71.57747	0.5
78.98736	0.4
80.02553	1.8
80.80155	0.4
81.03329	1.4
83.01223	0.3
83.04897	7.1
83.88464	0.3
84.02043	3.7
84.05225	0.4
85.02846	0.4
87.04380	0.7
93.03352	0.4
95.04897	1.4
96.95882	0.9
97.06487	0.4
106.04000	0.7
109.06493	0.5
111.08010	0.5
125.05924	1.2
125.09609	1.2
131.03429	0.4
132.05553	0.6
135.08055	1.3
139.11183	0.4
153.12790	0.4
157.05045	0.5
158.03508	0.5
163.11188	6.0
164.11617	0.4
165.12770	5.4
181.12248	0.8
183.08083	0.4
183.13858	1.7
186.11368	0.7
191.10692	1.5
199.07570	0.5
199.13313	1.3
201.07800	0.8
209.11763	100.0
210.12126	9.2
218.86372	0.3
225.66562	0.3
227.07010	1.2
227.09204	0.9
227.12823	6.4
227.16441	0.8
227.20081	4.3
228.09047	0.4
228.12941	0.7
246.58583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01230	0.9
65.01305	0.5
65.99709	0.4
66.10136	0.3
69.03304	0.3
71.04888	0.4
71.57981	0.5
80.02545	2.1
81.03321	1.5
83.02349	0.3
83.04893	7.0
84.02038	3.2
91.02904	0.4
92.02368	0.3
93.03342	0.4
95.04897	1.0
96.95898	0.5
97.06448	1.2
99.08029	0.8
106.03986	0.6
109.06461	0.7
122.03528	0.4
125.05962	1.1
125.09616	0.5
126.16755	0.3
127.07557	0.6
129.09113	1.3
130.03961	0.5
132.05528	0.3
134.03462	0.4
135.08037	0.6
139.07416	0.3
139.11162	2.0
141.09065	0.4
147.11687	0.4
157.05109	0.6
163.11200	5.6
164.11504	0.4
165.12755	4.0
174.06610	0.5
181.12233	1.1
183.13817	0.8
185.20270	0.3
191.10706	1.0
191.14261	0.3
195.80441	0.3
199.13380	1.0
201.07883	0.6
209.11758	100.0
210.12091	8.1
227.07198	0.6
227.09215	0.7
227.12849	4.0
227.16389	1.0
227.20036	1.9
228.08867	0.7
228.13118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01258	0.3
69.03339	0.4
98.19703	0.3
102.99901	0.2
111.08043	1.0
113.84566	0.2
141.37823	0.2
156.13835	0.5
163.11288	0.2
165.12770	19.6
166.13126	1.1
181.12244	0.3
183.13831	100.0
184.14372	6.6
191.10822	0.2
209.11789	2.2
210.12170	0.2
227.12842	16.9
227.16473	0.4
227.20126	1.0
228.13263	1.7
229.89430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.7
57.03323	2.8
59.01250	4.4
65.01321	0.7
69.51499	0.5
71.01246	1.2
71.04893	7.2
71.57467	0.7
73.02799	1.2
78.95728	0.5
79.03123	0.6
80.02531	1.8
81.03305	2.4
83.01254	0.6
83.04891	10.3
83.77699	0.5
84.02032	3.3
86.66682	0.5
95.04887	1.5
97.06454	2.1
99.04399	1.0
99.08020	2.1
101.05929	0.6
103.31004	0.5
106.03983	1.0
109.06519	0.7
111.07981	0.7
113.03529	0.5
125.05922	1.5
125.09590	3.0
128.06995	0.6
130.08583	1.6
135.08067	1.4
137.02420	0.6
137.09596	0.7
139.11183	1.0
141.09041	1.2
153.09087	1.4
153.12730	2.3
155.14229	0.5
163.11180	6.1
165.12791	7.0
181.12253	1.9
183.13815	10.5
184.14085	0.6
186.35916	0.5
191.10706	2.1
197.11758	1.7
199.07719	0.7
199.13350	2.2
209.11761	100.0
210.12094	8.6
227.06989	2.4
227.09184	1.2
227.12831	46.2
227.16132	3.4
227.20105	6.7
228.13188	4.1
228.15659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01251	0.9
65.01314	0.9
65.99717	0.3
71.01241	0.4
71.04887	0.7
71.56908	0.3
71.67326	0.3
80.02542	0.3
81.03312	0.4
83.04900	1.9
84.02022	0.8
91.02916	0.4
95.04904	0.3
96.95906	0.3
97.06477	1.9
99.92449	0.4
106.03967	0.5
111.08048	4.1
130.04041	0.4
132.05583	0.6
133.02768	0.3
134.03476	0.3
139.11183	0.4
146.93765	0.4
147.11717	0.4
157.05045	0.4
159.06648	0.3
163.11183	0.8
163.17072	0.3
165.12758	23.7
166.13106	2.0
174.06639	0.3
181.12231	0.5
183.13826	28.9
184.14172	2.0
184.91998	0.3
185.08252	0.4
185.13275	0.4
191.10567	0.3
201.07727	0.6
208.93242	0.3
209.11763	16.3
209.30453	0.3
210.12082	0.8
227.12831	100.0
227.16484	2.5
227.20068	4.0
228.08823	0.5
228.13164	8.3
228.15544	0.6
228.20369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
59.01237	9.6
65.01314	4.7
66.71682	4.1
69.03342	4.6
71.04892	42.4
72.04422	3.3
83.04903	29.3
96.95910	5.4
97.06422	7.3
98.95480	4.8
99.08070	5.7
101.05968	13.3
110.76666	3.4
117.60117	4.5
121.10145	6.0
125.09563	4.2
133.10141	35.4
135.11688	100.0
136.12053	9.4
137.09677	4.7
140.76917	4.0
153.12762	15.5
158.03510	3.9
165.12758	8.6
179.10683	15.8
183.13828	14.2
209.11746	36.6
213.07993	4.6
227.07127	4.8
227.09261	5.4
227.12827	75.4
227.16299	6.9
227.20149	16.1
228.13383	6.2
228.15991	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.1
59.31382	1.0
65.01292	2.1
65.99704	1.4
69.03310	0.8
69.84156	4.9
73.02790	1.0
80.02544	1.3
81.03349	2.1
83.04897	8.9
84.02042	3.6
88.85421	0.7
91.02898	1.5
95.04874	1.1
97.06483	1.1
98.19886	1.7
99.58703	0.8
99.82305	0.9
101.05925	0.8
107.91141	0.9
119.47514	0.8
125.05903	1.0
128.33005	0.9
131.03517	1.3
132.05533	1.6
133.10129	3.3
135.08051	1.0
135.11685	5.6
143.03615	0.9
147.11655	1.0
153.12764	1.2
157.05109	1.4
158.03481	1.4
163.11218	5.1
165.12726	4.5
181.12202	1.5
183.08199	1.1
183.10091	0.9
183.13849	2.3
191.10789	1.4
199.13382	1.1
201.07785	2.5
209.11763	100.0
210.12115	7.8
227.07126	2.4
227.09302	1.1
227.12827	14.0
227.16441	2.0
227.20155	6.0
228.08836	1.7
228.13106	1.5
240.59232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56499	0.4
59.01248	6.9
61.98730	0.4
62.56323	0.5
63.30077	0.5
65.01305	0.5
66.00816	0.8
66.09116	0.4
68.99691	0.5
69.03294	0.6
70.64730	0.8
70.65070	0.6
81.03320	0.7
81.07646	0.4
83.02345	0.8
83.04884	1.2
93.03329	0.6
95.04881	0.5
96.95850	0.7
97.02824	0.6
97.06499	0.6
99.00716	0.6
101.02299	1.1
102.30463	0.4
106.04007	0.6
109.06461	0.7
115.72531	0.4
121.02776	0.4
121.92157	2.1
123.90042	0.6
128.06831	0.4
135.08031	0.5
135.11847	0.5
136.24606	0.5
137.02303	0.7
141.91165	0.8
151.03833	1.0
152.08298	2.1
152.91721	0.5
157.05060	0.7
163.11176	1.2
163.14807	1.0
165.01772	1.1
165.91078	0.7
166.87195	0.5
169.12239	0.6
179.14238	0.7
181.12219	2.7
181.15874	0.9
183.92236	1.7
189.12744	0.8
195.02942	1.5
195.13818	9.7
196.14165	0.8
197.15358	5.4
198.07802	0.9
199.06296	0.6
206.05226	0.4
207.10191	1.5
207.13826	25.0
208.14169	1.7
210.05255	0.7
225.07645	1.3
225.11258	3.0
225.14890	100.0
226.06218	0.7
226.15228	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	225.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
59.01249	12.6
68.99651	1.6
69.41171	7.8
83.02424	1.2
83.04879	2.4
93.03339	1.8
95.04900	1.0
96.95869	2.7
97.06480	0.8
98.95467	1.9
101.02295	2.4
109.06472	2.1
111.04363	1.1
121.92192	2.8
123.04391	1.1
126.90419	0.8
137.02315	1.7
137.09579	1.3
141.91161	1.5
151.03914	2.2
152.08315	4.4
163.11192	1.9
163.14841	3.0
165.01799	1.7
165.91074	1.3
169.12334	1.0
177.12624	1.1
179.05577	1.1
180.04218	1.4
181.12195	2.4
181.15828	1.1
182.98259	0.9
183.06665	1.1
183.92169	3.3
185.07120	1.1
189.12820	1.5
195.02907	2.0
195.13828	21.8
196.14148	2.0
196.34860	0.9
197.15421	3.5
198.07770	1.8
207.10165	3.1
207.13828	64.7
208.14162	5.8
210.05199	1.4
210.12549	1.5
224.90469	1.3
225.07573	1.8
225.11261	8.8
225.14894	100.0
226.06381	1.9
226.15187	8.9
244.24751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1127
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.40355	0.6
59.01248	100.0
60.01594	1.1
71.44484	0.7
71.44841	0.8
75.00735	0.9
84.72348	0.4
85.77931	0.5
95.04928	0.7
96.95886	1.3
97.06474	3.5
135.08046	1.9
136.64284	0.7
147.08073	2.8
163.11238	0.8
165.09126	1.3
169.41029	0.5
181.12437	0.7
222.34467	0.5
225.11267	30.5
226.11594	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	225.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26884	0.4
55.25499	0.3
57.03317	0.6
58.26424	0.3
59.01249	3.9
65.01326	0.6
65.37269	0.3
65.99718	0.5
66.00850	0.6
69.03331	0.5
71.04893	0.5
71.12370	1.0
81.03344	0.8
83.04900	1.2
87.00758	0.5
88.89643	0.4
93.03366	1.1
96.95901	1.7
97.02834	11.4
97.06470	0.5
99.00763	3.8
101.02336	0.8
106.04006	0.7
109.02831	0.5
109.06477	5.1
110.03617	4.0
111.04408	0.8
121.06496	0.8
121.92121	0.5
123.04428	1.2
125.09607	1.8
127.03873	0.4
130.03940	0.5
135.08058	1.9
136.05199	2.9
137.02315	0.8
142.02631	6.4
145.10130	0.6
152.08348	1.5
153.09090	0.4
156.05527	0.4
157.05113	0.6
161.09642	1.0
163.11208	13.5
164.11513	1.0
171.06680	0.6
172.05066	0.6
179.10645	0.9
180.04251	0.6
181.12268	33.4
182.12726	2.6
183.06651	0.6
185.07089	0.5
189.09050	0.7
195.02875	0.8
197.11778	2.2
198.07782	1.1
199.06145	0.7
207.10204	73.4
208.10559	6.4
210.05222	0.5
210.69493	0.4
225.11270	100.0
225.14897	2.5
226.11623	8.4
230.60611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47807	0.6
55.75232	0.6
57.03315	0.7
59.01248	9.0
59.15619	0.5
68.10478	0.5
71.58809	1.3
83.04903	2.3
93.03332	1.0
95.04913	0.8
95.06414	0.5
96.95867	0.7
97.06502	0.7
99.45882	0.5
101.02262	1.1
105.06485	0.6
106.04053	1.1
108.94967	0.5
109.06480	2.2
110.85889	0.7
114.87962	0.6
136.01527	0.7
145.10101	2.4
152.08350	1.3
163.11192	13.4
164.11421	0.9
171.06779	0.8
181.12253	100.0
182.12556	8.2
188.24258	0.6
189.09105	1.0
196.59105	0.6
198.07817	1.1
199.06224	1.2
203.83752	0.6
207.10217	4.5
225.05522	1.4
225.11266	28.1
225.14607	3.3
226.11600	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03321	1.4
58.46301	0.5
59.01249	7.7
61.98721	0.7
64.15572	0.6
69.03326	8.1
70.42504	2.4
70.43797	0.5
71.01257	1.1
71.04895	2.6
81.03339	0.9
83.04879	1.1
85.02802	0.9
85.06466	1.2
93.03323	1.2
95.04904	1.6
97.06511	0.9
101.02341	0.9
106.04051	0.6
109.06503	1.4
109.14313	0.5
121.02793	0.8
125.09643	1.2
135.04411	0.6
135.11638	0.8
141.09096	0.8
149.00890	1.1
149.02351	1.0
149.09619	2.0
150.24216	0.6
151.03893	1.7
160.10542	0.6
161.13261	0.8
166.06282	4.5
167.10696	9.7
168.11003	0.7
177.09338	0.6
177.12741	2.1
179.10716	4.5
179.14334	10.7
180.14563	0.9
187.11342	0.8
193.01370	2.9
195.13841	32.1
196.14172	2.2
203.39673	0.6
205.12285	22.2
206.12627	2.0
208.03716	2.6
212.85500	0.7
223.02794	3.7
223.06100	1.6
223.13350	100.0
224.02696	1.1
224.13686	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	223.064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91684	0.7
59.01254	1.2
61.01027	0.8
69.89294	3.0
71.01259	2.2
72.99198	0.8
73.02808	3.6
85.02839	1.0
87.00740	4.1
87.04393	1.5
89.00542	2.0
96.23423	0.6
99.00780	0.7
101.02296	0.8
111.00719	0.7
112.98669	2.0
117.03677	1.0
124.89020	1.7
125.89945	0.8
133.03168	1.3
135.04750	100.0
136.05118	3.8
163.05980	0.7
180.89830	1.2
193.01382	1.4
208.03734	1.5
223.02907	0.9
223.06372	22.7
223.13333	1.4
224.06706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.38989	0.8
57.03314	1.8
58.30350	0.7
59.01246	8.2
63.19368	0.8
69.03322	7.6
70.49089	1.4
71.01261	1.2
71.04887	1.9
83.04894	2.0
85.06475	2.2
94.82260	0.8
108.05693	1.0
109.06425	0.8
125.09600	1.1
130.00494	0.7
133.87491	0.8
149.09605	1.4
151.00113	0.7
161.13298	0.9
166.06252	2.0
167.10675	9.9
177.12715	1.8
179.10683	3.3
179.14304	9.4
193.01331	1.4
195.13832	31.9
196.14189	2.5
205.12277	25.0
206.12547	2.0
208.03682	1.6
223.02695	2.3
223.13339	100.0
224.13647	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	223.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
58.00452	6.2
59.01246	24.9
63.83635	1.3
69.47871	3.5
69.48280	11.2
69.57442	1.4
71.01241	10.0
73.02823	4.2
75.00748	11.3
80.04877	1.6
89.02342	1.9
93.03336	5.7
95.04884	5.3
106.04111	16.6
107.04916	28.5
108.02056	9.1
117.03331	1.9
119.04916	18.0
121.02830	7.2
123.04403	37.7
124.04787	1.6
130.04042	3.5
131.04924	4.4
132.02069	4.2
133.02837	100.0
134.03220	4.4
134.28062	1.7
135.04399	3.2
138.03090	3.6
143.04921	2.7
145.02815	2.9
147.04398	20.9
149.05992	2.5
151.03896	29.0
161.05923	2.2
163.03883	5.0
165.05461	57.2
175.03905	67.8
176.04279	4.6
193.01308	1.7
193.04971	6.7
205.04964	4.6
223.06029	4.9
223.13284	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	221.1541
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01248	1.0
69.34302	0.7
69.34731	0.4
79.95599	0.1
96.95881	0.4
127.07549	0.7
140.66830	0.1
148.05197	0.5
149.05872	0.3
151.07561	0.6
162.83838	0.1
164.08344	2.2
165.09035	0.2
196.07298	0.2
196.10555	0.1
205.12288	1.6
206.02068	0.1
206.12576	0.9
207.13800	1.2
220.14629	4.5
220.16774	0.2
221.15395	100.0
222.15733	9.8
235.13319	1.0
236.13680	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01250	1.6
59.96601	0.8
61.98713	0.2
67.35599	0.1
69.28227	0.5
69.28646	1.0
70.90973	0.2
71.01276	0.2
73.01038	0.1
73.16999	0.1
74.98946	12.2
75.96087	0.9
75.98906	0.2
83.30820	0.2
85.02828	0.3
93.00011	13.3
93.03301	0.1
93.99950	0.4
96.95910	0.3
98.20525	0.3
101.02312	0.3
111.55635	0.2
121.02821	0.5
141.01590	0.2
149.00871	11.9
149.02174	0.4
150.00853	0.7
150.98802	0.6
156.65411	0.1
163.03802	0.2
164.04662	0.3
165.01805	0.4
165.09135	0.2
166.06233	0.1
178.99777	0.1
179.10666	0.2
193.01366	1.1
206.99657	5.2
207.99677	0.6
208.03726	1.3
208.97449	0.3
223.02789	100.0
223.13269	1.1
224.02831	12.2
225.00778	0.4
241.01559	0.2
241.03870	3.3
242.03864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.7
65.01333	0.4
70.40235	1.2
71.01252	1.2
73.02828	0.9
85.02811	0.6
87.00751	0.4
87.02612	2.1
95.02433	0.3
95.61295	0.3
101.02332	0.6
109.02866	0.3
113.02350	0.5
122.03564	0.3
125.06019	0.4
131.05275	1.9
133.06824	100.0
134.07179	3.8
148.05078	0.3
149.05951	0.4
161.09734	0.4
177.05522	0.5
177.09178	0.3
179.10667	0.7
190.99872	0.5
203.10738	1.0
206.02173	0.6
206.09363	0.8
221.04721	0.6
221.06723	0.6
221.08475	15.7
221.11740	2.8
221.15286	0.7
222.08812	1.1
222.12177	0.3
224.07886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.7
65.01333	0.4
70.40235	1.2
71.01252	1.2
73.02828	0.9
85.02811	0.6
87.00751	0.4
87.02612	2.1
95.02433	0.3
95.61295	0.3
101.02332	0.6
109.02866	0.3
113.02350	0.5
122.03564	0.3
125.06019	0.4
131.05275	1.9
133.06824	100.0
134.07179	3.8
148.05078	0.3
149.05951	0.4
161.09734	0.4
177.05522	0.5
177.09178	0.3
179.10667	0.7
190.99872	0.5
203.10738	1.0
206.02173	0.6
206.09363	0.8
221.04721	0.6
221.06723	0.6
221.08475	15.7
221.11740	2.8
221.15286	0.7
222.08812	1.1
222.12177	0.3
224.07886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71567	4.2
59.01249	100.0
71.01253	38.8
71.28643	6.4
71.28957	5.7
73.02818	38.1
75.00736	7.8
83.01255	10.0
85.02801	24.9
89.02318	5.5
92.39772	5.1
99.64551	4.9
101.02323	30.5
113.02334	65.6
120.28911	4.9
131.03383	19.8
131.09825	5.0
133.02827	11.6
134.03189	10.9
149.06003	10.6
160.08887	6.8
161.09654	15.9
177.05467	9.6
178.02176	9.0
179.10689	15.9
190.99672	8.3
202.20491	5.9
203.10767	36.9
206.09459	8.5
221.11789	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.8
57.03333	0.7
59.01253	4.3
61.98684	1.1
65.01306	0.6
69.38376	2.3
69.38815	2.4
71.01227	0.7
72.79759	0.5
73.02816	100.0
74.03156	2.1
75.00761	0.6
79.05434	0.6
82.03986	0.9
95.04906	1.1
96.95895	1.5
98.19817	0.9
98.95476	0.9
102.63507	0.5
105.03345	3.0
106.04024	0.7
116.70786	0.4
117.01838	0.8
119.04906	0.5
122.70535	0.5
133.02849	18.0
133.70866	0.6
135.04410	0.8
145.02792	0.5
146.03537	0.6
147.04420	2.2
148.05090	1.4
150.06578	0.7
160.05025	0.7
161.02327	1.9
163.03903	0.6
174.96863	1.4
175.03929	2.5
175.07516	0.6
175.14816	0.8
176.04665	2.4
177.01854	4.8
189.09023	0.6
189.12851	1.6
191.10612	0.5
192.07799	0.8
201.12790	2.7
204.04263	0.6
204.11345	0.7
217.12335	0.7
219.02948	2.1
219.10291	2.3
219.13853	91.5
219.17464	9.4
220.03638	1.4
220.14200	9.3
220.17802	1.1
234.32002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
59.01245	3.4
61.98702	0.9
68.01308	0.6
71.01254	0.8
71.58752	0.7
73.02820	92.4
73.66111	0.5
74.03162	1.6
75.00732	1.1
82.03985	0.6
91.02886	0.5
96.95876	4.0
98.95475	0.8
106.03995	0.9
117.01801	1.3
121.02767	0.6
123.05566	0.6
133.02856	1.5
145.10117	0.6
147.04433	0.5
148.05096	0.6
160.05127	0.6
175.14722	0.7
176.04651	0.7
191.03468	0.6
198.09959	0.6
201.12823	1.1
204.04230	0.7
204.07780	0.5
219.03014	1.5
219.06786	4.7
219.13867	100.0
219.17470	9.7
220.14226	8.0
226.63202	0.7
236.41917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1385
Annotation	Glutinosone
Peak:m/z	Relative Intensity
50.34660	0.7
55.01744	2.7
59.01243	6.0
61.01668	0.6
61.98706	3.9
73.02815	100.0
74.03165	2.4
75.00760	1.1
79.13335	0.7
96.95875	2.1
98.19776	1.7
102.23283	0.6
117.01855	0.8
133.02849	1.4
153.13161	0.7
160.84111	0.8
174.96886	1.4
201.12781	0.9
219.02916	1.2
219.13853	85.1
219.17163	12.4
220.14189	9.7
220.17737	1.1
229.60321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1227
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
59.01263	1.7
59.94115	1.2
63.42398	1.3
67.04829	1.4
73.02818	1.7
83.04901	7.1
91.69331	1.4
105.06966	1.9
111.04401	36.0
122.03570	1.4
131.08618	1.6
145.10107	4.0
147.08038	3.8
160.05295	1.5
171.11816	1.3
173.13255	16.8
175.07555	24.9
175.11081	1.3
176.07893	1.6
187.11247	2.1
189.09137	4.0
189.12755	4.6
199.11201	3.7
202.09906	2.0
217.12277	100.0
218.12595	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	217.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.4
59.35881	1.5
69.59761	3.5
69.60170	5.7
83.04896	8.9
95.84215	1.3
96.95890	2.9
105.06945	2.2
111.04395	38.3
121.61349	1.3
128.84995	1.4
131.37936	1.4
145.10092	2.1
147.08012	2.4
164.71924	1.2
167.27690	1.2
171.11661	1.3
173.13274	19.0
175.06212	2.0
175.07562	23.2
189.09140	3.4
189.12753	3.9
199.11179	2.8
217.12274	100.0
218.12546	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	218.1029
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01241	2.2
71.01254	13.5
71.04893	19.3
71.56770	1.2
75.00714	0.8
79.95574	0.7
88.03914	100.0
88.53332	0.6
89.04234	1.9
96.95887	1.3
99.04398	6.2
103.12907	0.6
116.07044	2.9
129.05463	0.9
146.08131	51.1
147.08435	2.2
150.33514	0.6
216.81271	0.7
218.10300	19.3
219.10510	1.5
219.17464	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	215.1283
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03307	0.7
59.01235	0.6
65.01304	0.4
65.99705	0.4
70.24486	0.8
71.01253	1.4
71.04877	0.7
72.02017	0.6
73.02823	0.7
82.03974	0.3
83.04865	0.4
85.02832	0.2
89.02293	0.2
91.02875	0.3
92.02362	0.2
97.06450	0.3
97.76975	0.2
105.04445	0.2
106.03993	0.4
120.45899	0.2
120.48442	0.2
123.08056	0.3
125.09593	2.1
127.11177	3.2
135.01857	0.2
137.09628	0.3
141.09074	0.3
141.12712	1.1
143.10652	1.0
144.00804	1.9
151.11075	0.5
153.09081	0.7
153.12692	0.6
155.10658	1.6
161.37930	0.2
169.12265	1.3
171.01860	0.3
171.10172	12.4
172.10500	0.9
173.04523	0.3
175.06177	0.3
179.10651	1.8
185.11754	1.6
189.07849	0.2
195.10120	0.3
197.11748	5.4
213.11247	4.7
214.11595	0.4
215.00926	10.7
215.12814	100.0
216.01198	1.0
216.13147	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	217.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.2
65.65212	0.4
65.73730	0.6
65.76072	0.5
71.16245	1.3
73.02824	1.5
80.48331	0.5
83.04895	7.2
91.40944	0.5
96.95884	0.8
99.04376	1.2
105.06968	1.5
111.04407	35.6
112.04750	1.7
117.06970	0.5
119.08538	0.9
122.03605	0.7
123.04375	1.3
131.08580	0.6
145.10120	2.2
147.04402	0.9
147.08069	2.5
157.10095	1.2
159.08092	0.6
160.05206	1.2
163.07625	0.5
163.84811	0.6
167.90848	0.5
171.11739	1.2
173.13261	18.6
174.13611	1.7
174.99171	1.1
175.07568	20.2
176.07887	1.7
184.08780	0.9
187.11224	0.8
189.09160	2.9
189.12784	4.1
190.09561	0.9
193.96114	0.6
195.12378	0.6
199.11221	2.8
201.09183	1.1
202.09850	0.8
217.00290	1.1
217.12288	100.0
218.12619	9.6
230.83868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02646	0.4
59.01255	0.5
70.35239	1.0
70.35632	0.9
84.00718	0.4
104.93237	0.5
105.18430	0.3
133.25526	0.4
144.05482	0.4
167.14316	1.3
177.12828	0.5
183.13841	9.9
184.14238	0.7
195.13846	16.5
196.14185	1.6
211.13301	1.1
213.14906	100.0
214.15250	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	213.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
59.91710	0.3
65.01304	0.3
69.46234	1.9
90.00794	0.2
111.08135	0.2
112.49323	0.2
129.10945	0.2
171.06595	0.3
177.12776	0.3
183.13834	27.9
184.14163	2.3
195.13837	24.3
196.14189	2.3
211.13327	0.8
213.14905	100.0
214.15253	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	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.08089	0.3
59.01251	0.7
71.05276	1.2
75.19697	0.4
83.74193	0.4
93.16345	0.4
94.28819	0.4
183.13824	27.5
184.14223	2.5
195.13829	23.4
196.14189	1.4
210.06107	0.4
211.13254	0.6
213.14894	100.0
214.15251	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	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45749	0.3
54.49407	0.3
59.01246	0.6
63.10625	0.3
69.62928	0.7
69.63329	1.9
141.14865	0.3
165.12720	0.5
171.06537	0.3
175.11201	0.3
177.12766	0.4
183.13814	29.1
184.14185	2.2
187.06384	0.3
195.13821	24.6
196.14134	2.2
199.24159	0.3
211.13319	0.9
212.51706	0.5
213.14888	100.0
214.07146	0.3
214.15236	8.2
220.64925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04713	0.2
59.01242	0.4
69.10619	0.2
71.06580	0.5
86.21622	0.2
87.98771	0.2
119.11545	0.2
124.10430	0.2
124.88570	0.2
155.45042	0.2
165.12740	0.3
167.14336	0.2
174.08914	0.2
177.12762	0.4
183.13818	26.3
184.14137	1.7
195.13829	22.4
195.70781	0.2
196.14218	1.6
211.13306	0.7
213.14890	100.0
214.15234	8.3
220.40375	0.2
226.26541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.87432	0.4
62.81187	0.3
66.03657	0.4
71.06982	0.8
71.07305	0.5
81.92092	0.4
91.23780	0.4
98.50925	0.4
167.14299	0.5
170.20581	0.4
183.13823	27.6
184.14224	2.1
195.13832	23.1
196.14151	2.3
211.13521	0.5
213.14897	100.0
214.15245	7.0
221.22261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
56.10296	0.1
59.01241	0.4
92.56956	0.1
111.10348	0.1
130.90736	0.2
143.87840	0.1
149.90410	0.1
165.12711	0.3
177.12746	0.6
183.13818	29.8
184.14140	2.6
195.13828	26.2
196.14159	2.8
211.13310	0.8
213.14891	100.0
214.15225	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	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
56.56281	0.5
57.03333	1.1
59.01252	1.8
61.98694	1.0
63.61720	0.5
65.01326	1.5
66.00848	0.6
69.03324	0.8
69.36317	0.5
71.01264	0.6
71.58622	0.8
71.59011	0.6
74.92937	0.5
79.95588	0.6
81.03383	0.6
82.39285	0.5
83.04860	0.6
87.00751	0.7
91.02899	0.5
93.03294	0.6
97.06461	1.5
106.04001	0.9
125.09628	0.5
126.89035	0.6
144.05501	0.6
151.11189	11.3
152.11499	0.9
160.05080	0.8
168.90988	1.2
169.12247	100.0
170.12587	6.0
171.04434	0.5
171.06645	1.2
172.06204	1.0
183.13823	20.5
184.00049	1.4
184.14145	1.5
185.87654	0.7
186.06776	2.0
187.06212	1.1
194.99269	0.6
195.10182	0.9
195.13835	16.7
196.14162	1.8
211.13309	0.6
213.03748	0.8
213.05656	1.1
213.09265	2.0
213.11285	17.2
213.14890	76.6
213.18419	2.7
214.07297	0.8
214.11641	1.5
214.15225	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	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03326	0.9
59.01231	1.8
60.35047	0.4
61.98718	0.7
65.01305	1.1
65.99752	0.4
69.03312	0.5
69.34117	3.5
82.03989	0.4
83.95625	0.3
92.02377	0.3
97.06478	1.3
106.03997	0.8
116.07066	1.4
130.03973	0.8
144.05556	0.8
145.05014	0.5
146.05696	0.3
151.11183	13.1
152.11514	0.8
160.05040	0.6
168.91025	0.4
169.12244	100.0
170.12595	6.6
171.06613	0.9
172.06325	0.5
183.13814	19.5
184.14125	1.2
185.76971	0.4
185.87651	0.8
186.06595	0.8
187.06169	1.0
195.10149	1.2
195.12006	0.9
195.13823	17.2
196.14191	1.1
211.13351	0.7
213.09299	1.0
213.11461	13.4
213.14883	68.7
214.07463	0.4
214.11536	1.3
214.15240	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	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.87075	0.3
59.01254	6.1
61.98696	1.6
69.03321	0.8
70.50368	1.1
70.50725	0.7
78.95770	1.4
79.55103	0.4
79.95624	0.7
95.01292	0.7
101.68127	0.4
103.91910	3.3
124.89290	0.4
136.89922	1.2
137.09593	0.6
151.91646	0.5
152.91541	0.6
155.10597	0.6
156.93759	0.6
166.90982	10.5
166.93744	2.4
167.10692	1.1
167.14317	1.5
167.90935	0.6
168.88882	0.5
181.05112	0.4
183.13835	15.2
183.87656	0.8
183.92273	0.6
184.14134	0.9
190.45934	0.4
193.12256	4.1
194.12608	0.5
196.03732	0.7
210.89986	3.2
210.92879	0.6
211.13347	100.0
212.13715	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01246	15.1
65.01314	2.3
69.03350	0.9
69.38480	3.9
69.38902	3.1
71.01242	1.5
71.04896	1.2
75.03922	0.7
78.58762	0.8
78.95786	1.1
81.03329	1.2
83.04880	4.2
83.96140	0.9
87.39188	0.7
89.27014	0.8
97.06513	1.3
104.34598	0.8
106.04008	0.9
113.30028	0.7
121.05049	0.8
140.91214	0.8
141.35092	0.8
143.03537	1.0
149.13219	4.3
157.05057	0.9
163.11171	3.0
166.90959	3.4
166.93729	0.8
167.14343	1.7
175.11195	1.2
181.12254	44.5
182.12576	3.6
183.13844	3.8
184.04892	1.2
184.06293	1.1
185.04529	1.8
185.08171	1.0
192.46480	0.8
193.12265	43.4
194.12553	4.3
211.05965	1.6
211.13319	100.0
212.09280	1.1
212.13707	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01239	2.3
60.77074	0.3
61.98691	0.6
63.39180	0.3
69.03306	1.0
69.26598	2.4
69.27021	1.4
78.95776	0.7
83.04919	0.5
98.20515	0.6
103.91881	1.2
104.78827	0.4
155.10660	0.5
158.87344	0.3
166.90984	4.1
166.93707	1.4
167.10724	0.9
167.14323	1.3
176.88870	0.4
183.13806	14.1
184.14189	1.2
193.12262	3.7
203.37189	0.3
210.89999	1.0
210.92867	0.5
211.13326	100.0
212.13644	9.0
231.83733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.23934	0.4
59.01249	14.0
69.03331	0.6
69.42245	0.4
71.01269	1.5
71.04917	0.5
79.02059	0.3
79.91893	0.3
81.03329	0.6
83.04906	3.4
95.04948	0.5
96.95907	1.1
97.06512	0.5
103.91923	0.6
107.08559	0.6
109.06478	0.5
121.10153	1.1
130.99287	0.3
135.11690	0.7
145.10155	0.4
149.13272	4.4
155.10728	0.5
163.11176	3.4
165.12776	0.5
166.90987	2.9
166.93799	0.6
167.10733	0.4
167.14317	1.3
175.11150	1.8
181.12251	44.8
182.12570	3.2
183.13861	2.5
191.10619	0.8
193.12263	48.3
194.12608	4.4
210.89969	0.6
211.13324	100.0
212.05676	0.3
212.13690	8.7
220.93004	0.4
233.66553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.097
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01751	0.6
59.01247	0.3
61.52425	0.3
67.01759	0.3
69.03327	0.8
71.29008	0.5
81.03334	0.3
83.01264	0.7
87.67291	0.3
90.03977	0.3
93.03298	0.4
95.01257	3.9
95.04950	0.3
97.02814	3.9
107.04906	1.7
109.02836	0.4
109.29330	0.3
121.02859	1.0
123.03461	0.3
123.04411	2.5
125.02354	1.3
125.05973	0.3
135.04401	0.3
137.02382	0.9
139.03818	0.3
150.03117	0.5
151.03912	8.7
152.04227	0.4
153.01828	0.9
153.05476	13.8
154.05750	0.7
157.05147	0.4
167.03427	0.7
175.40694	0.3
181.04979	100.0
182.05313	6.1
195.06610	0.6
196.07332	60.2
197.04625	0.3
197.07669	4.3
211.06078	0.8
211.09691	12.9
211.13263	0.8
212.10030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88263	0.3
59.01245	2.1
60.35368	0.3
61.60690	0.3
71.35093	0.4
71.35423	0.4
80.02544	2.4
80.99833	0.3
81.01079	0.3
81.03329	1.8
83.04889	9.2
95.04894	1.3
107.59094	0.3
109.02789	0.4
109.06467	0.5
111.00837	0.3
121.02839	13.1
122.03181	0.5
124.03962	0.6
125.05988	0.8
135.08020	1.5
147.11673	0.4
156.05545	0.8
156.96759	0.3
163.11183	6.6
164.94026	1.1
165.12729	3.9
166.13043	0.4
179.03403	0.7
181.12228	1.1
183.06659	1.1
191.10713	2.0
194.05734	0.9
209.04488	1.5
209.11755	100.0
210.07634	0.5
210.12119	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	211.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.8
69.03327	1.1
70.97292	2.8
81.57022	1.0
83.01270	1.3
83.33599	1.1
94.88474	0.9
95.01262	4.7
95.04888	1.4
95.98131	1.0
97.02824	3.9
123.04388	2.0
125.02357	2.2
139.03922	1.6
151.03932	8.6
153.01810	5.9
153.05446	13.2
160.07253	1.0
166.91035	1.0
167.03371	3.0
167.10724	1.1
179.03426	1.4
181.04980	100.0
182.05328	5.2
195.10707	1.1
196.03696	8.3
196.07333	70.1
197.04282	1.8
197.07654	3.9
211.06133	5.5
211.09677	12.7
211.13242	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	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03312	3.8
59.01250	34.3
63.21698	0.8
69.03306	1.5
71.01246	12.5
71.15974	1.1
71.16309	1.6
71.32713	0.8
73.02818	1.0
75.14963	0.7
78.51552	0.8
80.02541	1.5
80.91542	1.6
81.03326	2.6
83.01264	4.6
83.04890	3.4
84.02036	0.9
89.48970	0.9
91.01759	0.9
92.99699	1.1
93.03319	2.3
94.02858	1.9
95.01317	1.3
95.04886	2.2
97.02827	1.5
97.06470	4.5
103.91927	2.2
107.04939	0.9
108.02033	1.1
109.06445	1.0
111.08002	1.5
118.94092	1.0
120.02052	0.9
120.95026	2.1
121.02842	100.0
122.03131	6.5
122.89300	2.1
124.03932	6.1
125.09651	6.4
126.97626	0.9
134.03638	1.2
136.01514	1.2
136.98732	1.1
137.02333	1.2
137.05968	1.0
145.10110	1.3
147.11690	1.9
148.90918	1.0
149.02350	1.0
150.78758	0.9
151.11186	19.1
152.11475	1.0
153.12764	2.0
161.09596	1.1
163.11127	6.6
164.91470	1.3
164.92673	1.0
164.94035	19.6
165.01901	1.1
165.05487	1.3
165.12741	12.4
165.94286	0.8
166.90900	1.7
166.94089	0.9
173.09653	1.2
179.03409	2.1
179.10689	3.0
181.12250	24.7
182.12656	1.9
191.03287	1.1
191.10701	11.1
194.02118	2.1
194.05788	2.1
208.93079	5.4
209.04449	10.9
209.08360	1.9
209.11768	66.2
210.12074	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01756	3.2
57.03327	2.0
59.01250	23.9
60.01587	0.4
69.03324	1.5
71.01268	0.5
71.04857	1.1
71.57664	0.6
71.58092	0.5
80.02558	1.6
80.91547	1.0
81.03320	5.1
83.01257	32.8
83.04898	3.9
84.01601	0.7
84.02053	1.3
85.02815	0.9
91.01765	0.8
92.99683	0.4
93.03348	0.5
94.02841	1.2
95.04887	2.3
97.02831	0.9
97.06455	6.1
102.34657	0.4
103.91914	2.0
107.04878	0.5
108.02093	0.5
109.02841	0.6
109.06458	1.0
111.08011	0.7
118.94088	0.8
120.95015	1.4
121.02846	50.0
122.03119	2.7
122.89276	1.0
123.04408	0.5
123.08067	2.0
124.03934	2.9
125.06007	0.7
125.09614	26.2
126.09951	1.6
135.08028	2.6
136.01570	0.8
137.05943	0.7
147.11661	1.3
148.90944	0.6
161.02419	0.5
163.09830	0.6
163.11205	10.9
164.11522	0.8
164.91513	0.6
164.94043	13.3
165.12744	3.6
165.94165	0.5
166.90891	0.7
166.94209	0.6
167.10605	0.5
179.03429	0.9
181.12231	2.3
182.94055	0.6
184.91942	0.5
191.10715	8.6
192.11000	0.8
194.02222	0.6
194.05777	0.7
208.93068	4.8
209.04512	5.6
209.11768	100.0
210.04889	0.8
210.12102	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.6
59.01253	100.0
60.01593	2.0
81.03352	1.1
83.04904	1.4
94.02899	0.6
97.06474	2.3
109.06504	2.7
121.02845	8.7
124.03942	0.9
138.62787	0.6
139.48738	0.6
160.52861	0.6
163.11153	0.7
165.12755	3.7
198.65289	0.6
209.04547	0.9
209.11761	21.1
210.07870	0.6
210.12088	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01253	6.5
65.87429	0.4
69.03326	7.3
69.40606	3.2
71.01216	0.5
71.04898	1.5
80.02547	2.7
81.03323	1.7
83.04899	8.0
93.03342	0.8
95.04896	1.7
97.60210	0.4
101.94978	0.5
108.05685	0.5
109.06455	0.8
111.08023	1.8
116.45825	0.4
121.02850	9.9
121.10150	0.8
124.03916	0.8
125.05959	1.0
127.07504	0.5
135.08029	1.2
141.66429	0.4
147.11729	1.1
153.09108	1.5
163.11192	7.1
164.11494	0.8
164.94003	1.6
165.09143	1.0
165.12759	8.3
166.13168	0.9
179.03424	0.5
181.12257	7.5
182.12694	0.5
183.06729	0.6
191.10716	8.9
192.11006	0.7
209.04485	1.6
209.11771	100.0
210.12106	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.81669	0.4
57.03323	0.6
59.01250	31.1
60.01584	0.7
61.98716	0.6
69.03323	0.6
71.16119	0.4
71.16447	0.6
71.54367	0.4
72.25182	0.4
75.00747	0.5
80.91590	0.8
81.03320	0.5
83.01275	0.5
83.04906	0.8
85.02824	0.7
91.01745	0.7
93.03336	1.1
94.02858	1.0
95.01286	0.6
96.95887	1.9
101.92380	0.8
103.91902	2.2
118.94089	1.1
120.95049	1.6
121.02843	68.7
122.03163	3.7
122.03833	0.4
122.89305	0.7
124.03939	2.9
135.04504	0.7
136.01579	0.9
137.05977	0.8
140.17151	0.4
148.90897	0.6
148.93097	0.5
151.03886	0.5
161.02319	0.8
163.11102	0.5
164.91570	1.0
164.94043	18.8
165.05469	0.4
165.12711	1.1
165.94170	1.0
166.02560	0.4
166.90956	0.9
166.94197	1.5
172.87941	0.9
177.46533	0.4
178.80202	0.4
179.03432	1.5
181.12317	0.6
182.87943	0.5
183.06789	0.6
184.92004	1.1
191.10640	0.7
194.02107	1.4
194.05798	1.2
208.93141	5.1
209.04498	7.5
209.11768	100.0
209.15341	5.7
210.04797	0.6
210.07718	0.8
210.12125	8.4
226.93164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.3
59.01248	31.5
60.61879	1.3
67.14411	1.2
69.03326	29.7
70.64468	2.8
70.64805	1.5
71.04897	4.0
80.02519	1.5
83.04892	4.3
93.03344	2.6
95.04893	2.1
97.06462	1.3
103.91859	1.8
108.05661	1.7
109.06468	2.2
111.08065	4.0
120.94997	1.8
121.02843	43.7
122.03207	2.6
122.89357	1.6
124.03914	1.8
127.07491	1.4
139.07524	1.6
147.11726	3.5
153.09135	6.3
161.02484	1.5
163.11185	5.6
164.94014	11.1
165.09039	3.6
165.12753	24.2
166.13161	1.9
173.09685	2.3
181.12253	26.3
182.12665	1.9
191.10712	31.8
192.11012	2.4
208.93077	3.8
209.04466	5.6
209.11757	100.0
210.12099	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	209.0848
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
59.01246	13.5
59.76318	0.2
60.01580	0.3
63.98937	0.2
65.01302	0.4
67.11804	0.2
69.03317	0.4
71.01239	0.3
71.58543	0.3
79.95596	2.4
81.03343	0.3
83.02385	0.4
83.04893	0.4
85.09186	0.2
91.01763	0.4
93.03328	0.4
94.02875	1.0
95.01266	0.3
95.04897	0.2
95.95119	0.5
96.95882	100.0
97.06453	0.3
97.95820	0.4
101.92377	0.2
103.91893	1.1
118.94105	0.3
120.02052	0.7
120.95021	0.7
121.02836	35.7
122.03149	1.7
122.89301	0.4
124.03930	2.1
125.02397	0.4
135.04436	0.6
136.01572	0.3
137.02394	0.2
137.05978	0.6
137.09706	0.2
148.90866	0.3
151.03889	0.3
156.05580	0.6
156.69095	0.3
161.02350	0.2
164.91422	0.5
164.92653	0.4
164.94022	7.8
165.09116	0.3
165.12778	0.7
165.94235	0.4
166.90855	0.4
166.94209	0.5
178.99818	0.3
179.03476	0.6
180.89975	0.2
181.04984	0.3
183.06662	0.9
184.92035	0.3
194.02098	0.8
194.05782	0.8
208.93094	2.8
209.04434	4.3
209.08453	62.5
209.11749	4.4
210.04729	0.4
210.08937	3.3
210.12131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
59.70010	0.9
69.24380	1.0
69.60723	2.2
69.61131	4.1
73.05022	0.8
84.89474	0.8
84.93179	0.9
85.40755	0.8
90.13632	0.9
93.03346	3.0
95.04903	2.8
96.95860	1.1
98.19833	1.7
105.03349	8.8
109.02830	1.5
117.03369	1.0
121.02849	21.1
121.03667	1.6
122.03207	1.5
123.04403	1.9
124.03914	2.7
125.02362	1.0
133.02856	3.7
135.04430	1.4
137.02367	1.0
137.05969	1.0
145.20166	1.1
150.03198	1.4
151.00227	1.4
151.03914	27.2
152.04208	2.0
161.02356	60.9
162.02716	2.7
176.04709	27.2
177.05092	1.6
179.03419	100.0
180.03767	6.5
182.04694	0.9
191.07095	8.3
193.01295	1.8
194.02161	5.3
194.05774	77.1
195.06149	5.6
205.92628	0.9
209.04541	6.4
209.08170	22.1
209.11633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0814
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
59.01227	0.8
65.01313	0.6
69.47233	3.8
73.26634	0.5
81.94469	0.5
83.77943	0.6
84.42433	0.5
85.02187	0.6
85.02785	0.6
85.36422	0.6
91.01775	1.2
93.03326	0.7
95.04895	1.6
105.03349	4.8
107.04968	0.6
120.02024	1.3
121.02843	100.0
122.03181	4.5
122.69932	0.6
133.02829	2.2
135.04395	0.7
136.01541	1.2
148.05154	0.6
150.03111	1.0
151.03917	13.7
161.02348	33.5
162.02705	2.0
165.09081	0.5
167.03525	0.5
176.04697	16.8
177.05106	0.8
179.03416	51.0
180.03735	2.8
181.05074	0.7
191.07060	5.1
191.10837	0.6
191.28716	0.5
194.05779	44.9
195.06125	3.0
209.04506	11.8
209.08105	13.1
209.11760	1.7
210.04756	0.7
210.07855	0.9
227.21965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.066
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
50.00062	0.4
55.01763	3.2
56.40490	0.4
57.03320	22.4
58.00454	1.3
58.03653	0.8
59.01248	18.9
60.01581	0.4
65.99715	0.5
67.53500	0.5
68.99693	2.0
69.03323	0.8
69.73342	2.6
71.01251	11.8
72.99186	2.1
73.02821	3.3
75.68004	0.4
81.59288	0.4
83.01250	5.9
84.02028	7.5
85.02820	84.5
85.99960	1.2
86.03152	1.8
86.41275	0.4
87.00745	27.6
87.04379	1.5
88.01099	0.5
89.02322	5.6
97.02834	1.8
99.00748	5.0
101.02328	3.1
111.00760	9.0
113.02321	0.9
115.03893	1.0
116.99334	0.5
129.01826	51.7
130.02174	1.6
141.01833	5.2
155.98152	0.4
159.02890	13.1
160.03181	0.6
172.86293	0.5
191.01880	1.1
191.05556	0.5
196.60086	0.4
209.06595	100.0
210.06937	4.8
220.61508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0451
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01249	0.6
69.53088	2.2
75.27596	0.3
77.03844	0.3
93.03313	0.5
95.01271	0.6
98.19784	0.5
100.14420	0.3
102.99609	0.3
105.03291	0.6
120.02076	0.8
121.02843	100.0
122.03170	4.7
124.03872	0.5
133.02863	0.6
136.01556	1.1
137.06105	0.3
151.03911	2.0
152.04515	0.3
161.02359	5.3
162.02708	0.4
176.04730	3.0
178.99942	0.4
179.03413	9.5
180.03871	0.5
181.04897	0.5
191.07042	0.7
194.05783	8.7
195.06119	0.6
209.04498	12.0
209.08092	2.4
209.11763	0.9
210.04909	0.7
210.07712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	2.7
59.11143	0.5
70.91606	1.7
75.00726	0.8
93.03329	4.1
95.04883	2.7
105.03320	2.3
109.03928	0.8
119.04963	1.2
121.02845	6.7
123.04405	10.2
124.04774	0.8
133.02808	0.7
135.04411	1.0
136.01582	0.8
137.03485	0.8
148.05209	0.6
149.02344	19.7
149.03535	1.2
150.02652	0.9
163.03906	1.7
165.05469	1.8
177.01851	100.0
178.02180	5.6
180.54865	0.6
181.05157	0.9
191.03436	2.7
192.04211	96.1
193.04535	5.8
207.03014	0.8
207.04657	1.2
207.06587	22.4
207.10172	1.6
208.06908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34214	0.8
52.55519	0.9
58.02839	1.5
59.01254	2.7
71.05639	1.4
71.05963	1.3
75.00731	1.5
93.03315	2.2
95.04900	2.4
115.16658	1.0
121.02827	4.6
123.04410	6.2
148.04947	1.1
149.02333	16.2
149.03423	1.7
150.02705	1.3
163.03928	1.8
165.07320	1.4
167.85693	0.9
177.01840	98.0
178.02193	5.3
191.03383	2.9
192.04201	100.0
193.04581	7.6
207.02960	1.4
207.06577	24.9
207.08498	2.4
207.10326	1.1
208.06935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
58.02847	39.6
59.01252	1.3
69.80788	3.1
69.81219	4.9
70.02843	15.4
72.00768	7.2
78.95821	1.1
91.05430	6.6
123.01777	2.0
123.04411	1.5
135.04388	2.2
136.05046	1.3
137.03441	2.2
147.04422	39.7
148.04866	1.9
149.02364	2.9
164.07080	100.0
165.07397	5.6
177.01857	16.8
192.04218	15.5
197.55952	1.3
205.25801	1.4
206.08159	34.7
206.16142	1.3
207.06546	5.1
207.08516	3.1
207.10295	1.5
227.95332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03317	5.7
58.00449	1.8
58.02848	27.3
59.01245	28.4
60.01575	2.6
60.99167	3.6
67.01765	1.2
68.65023	1.0
68.99691	8.8
70.76064	3.1
71.01247	33.6
72.01570	3.6
72.99181	39.5
73.02807	5.2
73.99506	2.1
75.00742	16.3
78.95782	1.4
79.95594	1.7
82.74030	1.1
83.01255	4.7
83.04897	2.7
84.99161	4.6
85.02820	7.3
87.00743	42.2
87.91249	1.1
88.01077	3.9
89.02299	4.8
92.56110	1.0
92.95874	1.5
99.00762	11.9
100.98677	7.9
101.02303	4.9
102.02662	1.6
103.00249	13.2
108.93639	9.4
111.00736	3.5
112.01108	1.2
112.98683	17.3
113.02303	3.6
115.00253	49.0
115.03843	2.1
116.00576	9.4
117.01813	7.5
118.03207	25.8
118.97966	2.7
122.06033	1.3
125.99010	1.5
126.02665	2.8
127.00248	3.1
128.00583	1.3
128.98164	1.1
129.01826	16.6
130.02159	1.7
130.99754	100.0
132.00073	1.8
133.01315	84.2
142.99803	5.5
144.00557	26.7
145.01331	64.1
146.01639	2.6
147.02934	2.5
157.01337	23.3
158.01735	1.4
164.92615	18.3
175.53296	1.3
176.02702	1.8
189.03941	3.5
192.04198	2.7
198.01210	1.1
205.98709	2.2
206.04254	41.6
207.03183	1.3
207.04973	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.63213	0.1
70.60940	0.4
71.01226	0.1
99.52000	0.1
108.61271	0.2
146.75197	0.1
161.06082	0.2
189.12785	1.6
205.15921	100.0
206.16258	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	206.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	0.2
59.01239	0.8
61.98704	0.5
65.00218	0.4
70.55483	0.2
70.55826	0.3
79.95614	1.1
81.15692	0.1
82.03983	0.2
84.79766	0.1
91.01773	3.7
92.02135	0.1
95.01257	2.0
96.95886	5.8
100.12132	0.1
106.03999	0.4
107.01273	0.2
108.02073	0.2
111.84034	0.1
119.01276	2.3
121.02885	0.2
135.00786	1.0
147.00714	0.1
149.02345	0.2
163.00278	38.4
164.00613	2.2
164.89516	0.2
166.10355	0.1
177.01854	1.9
190.99785	100.0
192.00201	7.2
192.04184	0.9
192.07771	0.1
205.01396	0.8
205.94019	0.2
206.02145	2.9
206.16286	0.3
206.78908	0.2
207.02791	0.7
207.06841	2.4
207.10065	0.2
207.13789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61382	0.2
56.82986	0.2
59.01239	0.8
61.98690	0.4
65.00182	0.4
65.01296	0.3
65.99731	0.2
69.03322	0.3
71.01225	0.2
82.07825	0.2
83.56050	0.2
91.01757	3.1
93.03330	0.2
95.01250	1.7
95.04833	0.2
96.36872	0.2
98.19673	0.3
101.11794	0.2
106.03985	0.3
107.01276	0.4
119.01279	2.3
135.00778	1.5
135.04411	0.2
149.02345	0.2
163.00270	36.9
163.11147	0.4
164.00609	2.1
164.89403	0.2
177.01851	2.2
183.41339	0.2
190.99780	100.0
192.00174	7.2
192.04147	1.7
205.01372	0.8
205.15834	0.3
206.02159	2.5
206.12610	0.2
206.16229	0.3
207.02829	0.8
207.06607	0.6
207.10153	0.6
207.13829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11142	0.7
57.03323	24.9
58.02847	0.9
58.87079	0.6
59.01248	3.8
65.01309	2.1
65.99704	2.4
67.02876	1.4
68.01294	0.9
69.03321	2.4
70.71896	1.3
71.01242	1.5
71.04889	0.8
72.66569	0.7
72.99181	1.0
73.91045	0.6
79.05424	1.0
79.18351	0.7
81.03303	0.9
81.04444	0.8
81.47174	0.8
82.03983	1.5
83.04869	1.2
85.02848	0.7
85.06462	5.6
87.00731	0.9
87.72067	0.7
91.02878	1.3
91.05449	0.8
93.03332	2.9
93.06999	0.7
95.04897	1.6
97.02864	0.8
97.03968	1.0
97.06490	1.2
105.06897	0.7
106.04006	1.7
107.01234	0.8
107.04907	46.2
108.05222	1.1
109.02836	1.9
109.03987	1.4
109.06464	2.4
110.03503	0.8
111.00776	1.0
115.00253	1.5
118.03947	1.3
119.02451	1.1
119.04913	5.0
120.05611	2.2
121.04007	1.3
121.05079	5.9
121.06449	2.1
122.03514	1.5
123.01872	1.2
123.04394	2.4
123.08041	3.0
131.04918	2.7
133.02858	1.8
133.03891	0.9
133.06488	1.8
134.03525	1.3
135.04428	3.1
135.05537	1.9
135.08046	6.9
135.13351	0.7
136.05080	2.6
137.05995	3.4
145.05135	1.1
145.06482	1.0
145.10121	2.0
146.03467	0.8
147.04402	0.8
147.08069	7.1
148.05101	1.9
148.08853	0.9
149.05978	22.7
149.09581	0.8
150.06412	1.2
151.05022	1.0
152.04646	0.9
160.05048	1.4
161.06044	1.7
161.09618	3.6
162.06729	4.5
163.06169	2.3
163.07497	1.5
163.11195	47.3
164.04611	1.6
164.11543	2.7
171.08150	1.0
175.02574	0.8
175.07445	3.6
177.12778	7.3
178.06085	2.4
187.06256	0.9
187.11232	14.3
188.11584	1.7
189.09108	2.5
190.02698	0.8
190.09973	8.2
191.10207	0.9
205.05026	2.8
205.07219	2.6
205.12288	100.0
205.15944	4.7
206.12646	9.3
206.16524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	4.5
57.03328	4.0
58.02831	14.2
59.01248	65.1
61.76116	2.9
68.99661	13.6
70.75455	10.5
71.01248	77.8
72.99176	44.2
73.02809	11.9
75.00747	30.1
83.01243	9.8
85.02814	5.9
86.09878	3.3
87.00750	52.4
89.02309	7.3
96.99187	11.0
97.41109	3.2
99.00758	26.8
100.98657	4.3
101.02307	12.6
103.00227	10.0
111.00755	32.8
112.98692	8.3
115.00243	100.0
117.01808	16.8
118.03236	16.4
124.98695	9.6
125.02318	16.3
127.00246	10.2
129.01805	15.6
130.99724	12.4
135.04404	7.1
142.99728	17.9
145.01331	22.1
154.99751	12.1
173.00801	4.4
175.02415	3.6
179.38800	4.0
205.03459	5.9
205.12299	4.7
206.04285	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38001	3.8
55.01746	5.3
59.01254	77.4
68.99682	13.3
70.97766	8.6
71.01255	100.0
71.99020	4.1
72.99184	54.3
73.02811	8.8
75.00755	36.6
83.01261	14.4
85.02818	8.8
87.00753	59.7
88.82648	3.7
89.02324	5.5
89.24310	3.8
89.57343	3.7
89.79615	4.8
96.99216	9.2
99.00763	30.4
101.02319	14.7
103.00231	8.6
107.32761	4.3
111.00747	16.3
112.98692	12.1
115.00256	92.8
117.01823	13.4
117.39478	4.3
120.59969	4.0
124.98711	20.9
125.02319	11.8
127.00250	8.1
129.01831	17.4
130.99739	14.8
142.99748	25.8
145.01323	21.3
154.99728	15.1
164.46060	4.1
175.02441	10.0
205.03267	9.2
205.05057	6.7
205.08917	11.0
205.12247	13.4
205.15866	23.1
206.04465	4.4
213.75645	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80730	1.9
55.01749	7.6
57.03321	3.5
57.08791	1.9
58.00464	5.2
58.02846	12.6
59.01247	85.6
60.86247	1.9
68.99688	15.6
70.39762	3.6
70.40159	4.3
71.01251	94.7
72.99177	48.7
73.02818	16.5
75.00742	46.4
83.01254	12.3
83.07310	2.2
84.99187	2.9
85.02820	3.3
87.00751	62.0
89.02338	6.8
96.99191	9.8
97.99939	2.1
99.00753	38.2
99.04375	6.2
100.98682	4.8
101.02316	15.1
103.00257	10.4
111.00764	21.6
112.98676	21.1
115.00254	100.0
116.00591	2.8
117.01860	12.4
118.03230	10.2
124.98656	13.6
125.02322	14.7
127.00255	13.9
129.01830	18.4
130.99757	20.1
142.99763	25.8
144.00493	2.3
145.01314	36.7
154.99783	19.4
157.01331	8.5
159.08549	2.9
165.82944	2.1
169.01360	2.1
173.00844	3.2
175.02434	10.4
187.02408	3.2
205.03453	7.5
205.07202	2.8
205.09021	5.4
206.04344	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	203.0821
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
57.30624	0.4
59.01235	0.7
67.52180	0.5
70.68974	0.4
71.12920	0.9
72.00780	26.2
74.02346	39.0
116.04950	100.0
117.05294	5.2
129.05684	0.7
130.06505	3.6
130.46230	0.5
132.08131	0.7
142.06529	28.8
143.06868	1.6
144.49142	0.5
148.62262	0.6
157.07687	1.1
159.09195	12.6
160.09540	0.8
161.04736	1.6
163.49316	0.5
165.43604	0.6
172.52861	0.5
186.05542	4.7
201.65009	0.5
203.08214	44.8
204.08498	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	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90425	0.4
59.01265	2.1
65.01311	0.8
65.30358	0.4
65.99720	0.8
70.98158	1.0
87.00751	100.0
88.01102	1.7
101.06109	0.4
108.30563	0.4
113.08798	0.6
113.09606	11.9
114.09939	0.6
115.07542	5.4
119.02459	0.5
133.04008	0.8
134.03500	0.4
141.09117	7.6
159.04382	0.7
159.10201	0.5
176.04588	1.0
185.08134	0.5
203.03484	0.7
203.09167	28.6
203.10699	1.1
203.12839	2.2
204.09506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.149
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
57.60323	0.3
57.86012	0.4
59.01252	44.6
60.01582	0.6
65.01321	1.2
65.99705	0.6
66.00871	0.4
66.85764	0.3
69.25140	0.7
69.25546	3.6
72.51902	0.3
74.70448	0.3
81.04409	0.4
82.03963	0.9
87.04359	0.5
91.02880	0.5
98.19809	0.7
99.92477	1.6
101.92395	0.4
106.03989	0.6
108.05574	0.4
125.09565	0.8
127.11209	0.4
130.03963	0.6
132.05585	1.3
133.03970	0.8
134.03433	0.6
139.11189	0.8
141.86742	1.7
141.93547	2.3
155.14333	5.9
156.14682	0.5
156.95863	0.6
157.03476	0.5
158.89246	0.3
159.01379	1.3
159.02856	0.4
159.06691	0.8
159.87793	1.5
159.89169	0.7
164.83568	1.9
166.83249	0.4
173.06023	0.6
174.06653	1.0
175.06093	1.0
183.10106	0.4
183.13770	2.1
199.13338	1.1
201.02504	4.2
201.05511	1.2
201.07703	1.0
201.11427	2.5
201.14897	100.0
201.80154	1.5
202.02777	0.5
202.04750	0.3
202.07291	0.5
202.15230	7.4
215.90581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1124
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03321	7.1
59.01247	11.9
59.74747	0.4
65.01314	1.4
65.99700	0.5
69.03311	0.5
69.45284	4.2
74.51907	0.4
82.03974	0.6
83.04917	0.7
91.02863	0.6
92.02485	0.5
111.08038	5.0
112.61280	0.5
125.09599	0.7
127.11195	1.2
132.05542	1.0
137.09631	2.7
139.11180	91.6
140.11513	4.7
141.93488	0.9
147.05473	0.6
156.43863	0.5
157.12187	2.3
159.06671	0.5
160.05029	0.9
171.10149	0.6
174.06590	1.2
175.06268	0.9
175.34615	0.6
183.10179	36.6
184.10559	2.3
194.51924	0.5
199.09674	0.6
201.02437	1.1
201.11249	100.0
202.07336	0.7
202.11591	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.43827	0.3
57.03308	0.9
58.00458	0.3
58.66318	0.3
59.01243	1.0
61.48625	0.3
65.01308	1.2
65.99709	0.4
66.00848	0.6
67.88477	0.3
70.76962	0.8
71.01251	0.5
71.04897	2.1
72.99201	0.3
73.02814	0.4
83.01308	0.3
83.04901	0.6
83.74706	0.3
85.02818	0.5
89.01346	0.5
91.02895	0.4
92.02448	0.4
97.02892	0.3
97.06438	0.4
99.00754	1.3
99.08020	0.5
102.99984	0.3
106.03989	1.2
111.00761	0.5
113.02315	0.7
125.02370	0.3
125.09624	1.8
127.03927	0.6
127.11182	4.2
129.04434	0.4
130.03979	0.9
137.09595	0.5
141.12761	0.5
145.03973	0.6
153.12755	1.1
155.10680	1.6
155.14264	0.5
157.05112	1.0
158.03476	0.7
158.07124	0.3
162.83838	2.1
163.11189	0.8
164.83585	2.2
169.12247	1.2
171.06834	0.3
171.10100	0.5
172.05017	1.6
172.06335	0.5
173.04681	0.6
181.12268	1.9
197.11821	1.9
199.06213	1.7
199.13329	100.0
199.80415	1.2
200.05690	0.3
200.09592	0.6
200.13695	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	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
56.76607	0.3
59.01245	1.3
61.42345	0.3
65.01331	0.8
66.11586	0.4
68.37913	0.3
68.46732	0.3
68.99670	0.3
69.03316	0.4
71.04891	0.4
81.03353	0.3
85.88447	0.4
86.36281	0.4
92.53660	0.4
99.00787	0.8
99.08025	0.4
102.18092	0.4
106.04028	0.4
113.02274	0.3
127.07599	0.4
129.29385	0.3
130.03928	0.5
153.12764	0.5
155.10704	1.1
156.89415	0.4
157.05119	0.5
162.83823	2.2
163.11214	1.0
164.83572	2.3
164.84714	0.4
169.12238	5.5
172.04977	0.7
181.12256	22.2
181.21631	0.4
182.12601	1.5
195.07893	0.4
197.09836	0.5
197.11739	2.0
199.13318	100.0
199.80435	2.1
200.11786	0.5
200.13644	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	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.55924	0.2
59.01247	0.5
64.33793	0.3
65.01287	0.4
65.93719	0.3
69.03328	0.3
69.49570	0.3
71.46642	0.3
83.04892	0.9
83.33504	0.3
100.85896	0.3
130.04007	0.4
131.36157	0.3
137.09613	7.0
155.10674	100.0
156.09808	0.5
156.11018	6.6
157.05090	0.4
162.83838	1.8
164.83453	1.9
172.05098	0.4
181.08629	0.9
191.52873	0.3
198.80760	0.3
199.06270	0.6
199.09651	7.7
199.11221	1.0
199.13380	1.1
199.16965	0.4
199.80400	1.8
200.05696	0.4
200.09956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03308	0.4
59.01235	1.0
62.99015	0.4
65.01315	1.0
69.38855	3.4
73.77454	0.4
76.99295	0.4
83.04858	0.8
89.01303	0.4
91.02873	0.5
93.18849	0.4
97.13583	0.4
105.04462	0.6
137.09604	7.2
145.04066	0.6
146.03516	0.4
149.91661	0.5
155.10674	100.0
156.11009	6.7
162.83813	8.2
164.83499	6.9
181.08626	0.8
199.06168	0.9
199.09674	7.3
199.11382	0.8
199.13387	1.8
199.16908	0.8
199.80408	5.6
200.10037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.154
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
51.01020	1.1
53.24119	1.1
57.03313	3.8
59.01241	4.2
61.98698	6.9
69.03298	3.1
71.04877	2.9
76.30299	1.2
80.02528	2.2
81.03323	4.4
83.04893	10.8
83.08467	1.1
93.03315	1.4
95.01263	3.0
95.04884	5.1
97.06461	27.0
98.06804	1.5
109.06457	3.4
111.08051	21.5
112.03954	2.1
112.08367	1.5
115.03880	1.5
116.92744	8.2
121.02827	3.7
123.00787	11.4
123.04386	1.9
126.90341	4.6
130.99133	1.3
137.02328	3.6
137.09596	1.7
138.03114	2.1
140.01102	1.2
147.11713	2.8
152.89484	1.4
152.92123	1.9
153.05486	2.3
153.09108	2.0
153.12756	6.2
154.90065	1.3
154.91257	3.0
154.93976	1.4
160.84129	25.3
161.84109	1.6
162.83818	62.7
163.11217	7.2
165.12755	100.0
166.13101	6.5
166.99739	8.1
169.12312	1.6
171.06694	1.7
182.02132	20.2
197.04451	5.7
197.06137	1.6
197.08087	3.2
197.09723	3.1
197.11714	13.5
197.15338	5.4
197.80722	43.9
197.90231	2.1
209.11765	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.91805	0.6
57.03324	9.3
57.19188	0.7
59.01257	3.3
61.98703	3.1
69.03328	1.9
69.60861	4.7
70.61287	0.6
70.88181	0.6
71.04899	1.1
76.58611	0.6
81.03350	0.9
82.02808	0.8
83.01199	0.8
83.04890	1.9
83.55553	0.6
84.63291	0.6
85.02824	1.1
95.01266	1.4
97.06449	1.1
98.19784	1.1
99.08070	0.6
106.03962	0.6
109.02814	1.3
109.06480	1.2
111.04380	0.6
112.01521	0.8
116.92732	2.2
121.02861	1.6
123.00797	6.0
123.04359	1.2
125.02327	1.2
125.05996	0.8
126.90380	1.1
127.07503	0.6
137.02351	1.6
137.09645	1.3
138.03107	1.3
139.00348	0.8
139.07564	0.8
146.59039	0.6
152.89429	0.8
153.05507	1.0
153.09149	1.5
153.12750	10.0
154.91252	1.6
160.82852	1.1
160.84132	12.8
161.09639	0.8
162.83821	39.8
166.99809	3.8
169.12257	6.4
179.03423	1.2
179.10664	2.4
182.02136	9.9
183.02431	0.8
196.91420	2.3
197.04713	3.0
197.11766	100.0
197.14232	7.4
197.78883	1.1
197.80730	23.7
198.07736	1.0
198.12085	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.00240	0.3
59.01258	0.4
69.03336	1.0
70.81908	1.0
71.04893	1.1
85.02866	0.3
95.01254	0.5
95.04931	0.4
97.06468	13.5
98.06848	0.7
99.08033	4.5
109.06513	0.8
111.04413	0.3
111.08057	0.6
112.03957	0.4
116.92714	0.4
121.02833	0.8
122.03652	1.9
123.00751	1.4
123.08043	0.4
125.02340	0.6
125.09622	1.2
126.03114	0.7
132.38420	0.4
133.13124	0.4
137.09645	1.8
151.11157	0.9
153.01859	0.3
153.12759	100.0
154.13080	6.6
158.99475	0.3
159.64093	0.3
160.84120	1.7
162.83827	4.5
166.99777	1.4
179.10698	19.7
180.10999	1.7
181.35452	0.4
182.02165	2.8
197.04477	1.4
197.11765	12.0
197.15483	0.6
197.80693	1.7
198.07811	0.5
198.12114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01251	2.1
61.98703	1.0
65.01308	1.5
69.03323	2.0
71.01241	0.4
71.04881	0.5
71.29868	0.8
72.75849	0.5
83.04900	1.1
89.01323	0.8
91.02914	0.6
95.01237	0.6
99.84094	0.4
105.57844	0.4
106.04012	0.8
109.02836	0.6
111.00760	0.6
112.01539	1.0
112.03889	0.7
116.92737	1.2
121.02869	1.1
123.00752	3.3
123.08086	0.6
125.02278	0.5
125.09637	0.7
126.90404	0.7
130.03984	1.0
132.05531	0.7
137.02347	1.1
138.03133	0.5
141.09109	1.3
144.05646	0.6
151.11180	0.9
152.92015	0.4
153.01801	0.9
153.05479	1.0
153.09114	2.1
153.12733	4.7
154.91197	0.7
156.05553	1.0
157.05124	1.0
158.05783	0.5
160.84094	8.9
161.84140	1.1
162.83810	21.6
166.99773	2.6
169.12242	16.3
170.07115	1.0
170.12544	1.4
171.06648	2.5
179.03468	0.8
179.10703	1.9
182.02124	6.3
182.05893	0.6
197.04550	2.4
197.08206	2.4
197.11751	100.0
197.80714	13.7
197.82483	0.9
198.07774	1.4
198.12097	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	197.0602
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.15421	1.4
59.01250	5.7
61.98703	7.2
65.01319	2.0
68.76031	1.6
70.00666	3.5
70.01089	4.6
71.01216	1.4
72.66650	1.5
74.21075	1.3
75.79861	1.6
80.96408	1.8
81.03345	1.6
84.32951	1.3
85.02819	2.7
95.01252	2.9
96.95895	1.4
106.03976	2.5
109.02859	2.9
111.04406	2.2
112.01562	2.0
113.11273	1.5
115.03947	2.0
116.92747	12.1
121.02853	3.8
123.00766	16.1
125.02349	2.1
126.90325	4.1
130.99142	1.5
137.02309	2.3
138.03091	3.8
153.01857	2.0
153.05467	5.3
153.09065	4.3
153.12761	10.3
154.91260	4.2
159.30542	1.4
160.84109	27.7
161.84132	1.9
162.83823	72.2
166.99788	14.0
169.06540	3.0
169.12251	1.7
171.06715	2.8
176.22066	1.4
179.03349	1.9
182.02127	27.8
197.04517	6.0
197.06020	100.0
197.07973	3.7
197.09703	5.0
197.11784	17.6
197.15453	2.2
197.80737	38.8
198.06259	7.5
198.07875	2.1
215.91338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25488	0.4
59.01252	4.3
59.76667	0.4
61.34262	0.4
61.98684	1.3
62.62203	0.5
69.90400	2.4
71.01279	0.5
73.55335	0.4
79.14436	0.5
83.04862	0.5
88.62972	0.4
96.95884	0.6
106.04006	0.5
122.30690	0.5
128.29716	0.5
139.45166	0.4
150.03159	0.9
152.91640	3.3
152.94450	0.6
159.46805	0.4
160.84111	5.9
163.10487	0.5
167.90410	1.0
177.12756	4.0
180.04269	0.5
194.92738	1.3
195.13828	100.0
195.81082	2.0
196.14165	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	196.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
59.01248	0.5
64.43198	0.2
65.01307	0.3
67.01754	1.4
68.99663	0.3
69.03325	2.9
69.52844	1.8
71.01245	0.3
73.04538	0.2
74.49590	0.2
75.69363	0.2
81.03333	0.6
83.01248	1.3
83.04899	0.4
90.00837	0.2
93.03355	0.6
95.01263	9.0
95.04904	1.4
95.46864	0.2
96.01575	0.3
97.02823	10.6
98.20512	0.4
107.04913	2.3
109.02840	0.7
110.03623	0.3
111.00755	0.3
111.04411	0.3
118.38889	0.2
121.02834	0.5
122.03640	0.7
123.00787	0.6
123.04408	7.3
123.72153	0.3
124.01559	0.4
125.02342	1.7
125.06017	0.3
130.86809	0.2
135.04402	0.8
137.02318	1.9
139.03903	0.4
140.75357	0.2
142.04030	0.5
150.03127	1.4
151.03917	11.8
152.04289	0.5
153.01845	0.8
153.05476	19.9
154.05856	1.2
154.12839	0.2
160.84129	3.5
165.05493	0.3
166.02272	0.3
166.99805	0.3
167.03360	1.1
167.07062	0.5
169.05103	0.6
170.04695	0.2
177.09526	0.2
181.04980	100.0
182.02113	0.4
182.05353	7.3
195.06602	0.5
195.80998	1.4
196.07428	6.3
197.04358	0.3
197.08025	0.7
197.11691	0.4
198.06842	0.2
199.72098	0.3
199.73946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86612	0.2
54.06140	0.2
59.01234	0.7
61.98694	1.1
64.63742	0.3
64.87024	0.2
70.13829	0.9
99.19476	0.3
109.06466	4.2
111.08038	3.2
120.23892	0.3
122.03612	0.8
125.09605	0.9
135.11696	0.5
136.05138	0.3
138.06720	0.6
139.07521	0.5
150.03087	0.6
150.92456	0.4
151.11267	0.4
152.91672	3.7
152.94412	0.6
155.92407	0.3
160.84125	6.7
165.01807	0.8
167.14305	6.5
167.90347	1.5
168.14702	0.6
169.05038	0.3
179.10661	5.4
180.04187	0.7
180.11224	0.6
183.13657	0.3
194.92838	1.7
194.95528	0.5
195.13823	100.0
195.81012	1.9
196.14165	7.5
212.93677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
57.03323	0.5
59.01246	6.1
61.98700	2.8
66.92201	0.6
69.47820	4.6
70.64629	0.5
70.82509	0.5
71.01266	0.9
77.14639	0.5
83.04893	0.7
86.29952	0.6
87.35056	0.5
96.95890	1.6
98.20613	0.9
106.03986	1.3
109.06477	0.6
122.03616	0.7
123.00794	0.7
123.04344	0.7
123.08065	0.9
124.01522	0.8
135.04359	0.7
135.98972	0.5
136.05208	1.0
137.02374	1.2
150.03122	2.9
150.92467	1.1
151.03883	0.6
151.07516	0.9
152.91670	14.8
152.94371	1.5
153.11360	0.5
160.82849	1.1
160.84123	15.8
165.01845	2.0
165.05479	1.9
167.03577	0.7
167.07190	0.7
167.41896	0.5
167.90395	5.3
170.92763	1.3
177.12773	4.1
180.04211	2.9
194.92773	7.3
194.95453	1.2
195.06599	4.0
195.13831	100.0
195.81024	6.4
196.06180	1.2
196.14182	7.6
212.93858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.5
61.98687	0.6
65.01306	1.3
65.99692	0.6
68.99690	0.6
71.01238	1.0
71.38014	1.1
71.38351	0.7
78.95779	0.9
82.03952	0.7
83.04881	0.9
85.02789	0.9
94.80086	0.5
95.02374	0.7
96.95889	0.9
98.02374	0.7
106.03979	2.0
106.19479	0.6
107.04945	0.7
120.53498	0.5
121.02856	0.9
123.04397	1.4
124.04998	0.8
125.03504	0.7
130.04102	0.6
135.00803	0.6
135.04378	0.6
136.05174	1.5
137.02332	1.1
142.04022	1.8
150.03107	4.6
151.03831	1.7
151.07462	1.0
151.11099	0.6
152.91664	5.4
152.94351	0.8
153.17603	0.6
160.84113	9.3
161.48071	0.6
163.04941	0.8
165.01868	2.4
165.05482	2.5
167.03448	0.7
167.90353	2.1
168.05586	0.8
169.03874	0.5
169.05077	3.2
175.11342	0.6
177.05475	0.8
177.12740	3.8
180.04234	4.3
194.92712	2.1
195.02890	1.2
195.05025	1.0
195.06624	6.1
195.10132	2.1
195.13840	100.0
195.80998	4.1
196.06201	4.5
196.14194	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	195.0502
Annotation	Hexonic acid
Peak:m/z	Relative Intensity
50.73897	0.7
52.47333	0.7
53.66319	0.8
55.01748	0.8
57.03315	6.8
59.01249	21.0
61.09832	0.7
69.41295	7.5
71.01246	11.4
72.99176	8.0
75.00742	100.0
76.01077	1.3
83.01266	1.0
85.02814	6.3
87.00748	16.2
87.54237	0.8
89.02309	6.4
96.96840	1.3
99.00749	13.4
101.02297	1.3
105.01812	1.9
111.00749	1.9
128.38376	0.7
129.00858	1.9
129.01823	35.0
130.02129	1.5
141.01788	1.4
153.73552	0.8
159.02907	6.7
160.84027	1.3
170.04657	0.8
170.07803	0.9
177.03972	3.3
195.05022	54.5
196.05336	3.6
207.77989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.029
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.01249	0.8
65.01318	1.5
65.99715	0.4
67.01751	1.3
68.99667	0.5
71.01241	0.5
71.57876	0.8
79.20496	0.4
81.31287	0.4
83.01260	2.3
95.01261	3.5
96.95871	2.0
98.02364	0.5
107.01258	3.4
108.02033	1.8
109.02811	0.9
109.03988	0.6
110.48074	0.4
111.00763	12.6
120.02005	0.4
122.03653	0.5
123.00764	23.1
123.04404	0.9
124.01558	26.1
124.26714	0.5
125.01922	0.6
125.03407	0.6
130.04042	0.6
130.99016	0.4
135.00787	2.5
135.04440	0.4
136.05177	0.6
136.98654	0.7
137.02328	2.4
139.00275	3.1
142.04012	0.9
149.02385	0.4
150.03105	4.1
151.03860	0.5
151.07578	0.7
151.11185	0.6
152.01060	3.8
152.04575	0.5
152.91628	1.1
160.84111	29.9
165.01802	1.6
165.05447	2.2
167.03409	6.4
168.04044	0.4
168.05592	0.7
169.05083	1.5
180.04291	2.8
182.09096	0.4
190.41609	0.5
195.02905	100.0
195.81017	11.2
196.03238	5.6
196.06068	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75471	0.5
55.01756	3.1
55.04786	0.6
57.03327	2.8
58.00465	7.4
59.01250	25.5
65.01331	0.9
67.02850	0.5
69.03329	8.0
71.01254	24.7
71.19368	1.1
72.99181	4.9
73.02821	20.0
75.00738	1.7
78.39011	0.6
79.01782	0.8
80.55077	0.5
81.03339	2.1
82.03993	1.2
83.01260	10.7
84.02036	0.6
85.02825	26.7
85.99970	4.7
86.03165	0.7
87.00751	21.5
89.02308	1.7
89.03854	1.6
93.03340	7.1
95.01257	4.9
95.02336	0.7
95.04909	3.1
97.02833	11.7
97.03913	1.1
99.00762	19.8
101.02328	31.8
102.02634	0.7
105.03334	0.7
106.04125	49.6
107.04959	8.4
108.02055	37.9
108.02815	1.3
108.03153	0.7
108.04466	0.8
109.02339	1.2
109.03985	0.9
111.00768	2.9
112.01578	1.2
113.02335	6.6
115.03877	1.1
117.01847	1.2
119.04927	4.6
121.02864	2.8
122.03519	0.8
123.00777	2.9
123.01688	0.7
123.04415	32.9
124.01551	1.5
124.04829	1.7
125.02344	10.8
125.03265	1.0
127.03842	0.8
129.01791	0.8
131.04893	1.6
132.02089	7.0
133.02853	100.0
134.03699	8.5
135.04465	3.5
135.05327	0.5
137.02335	1.5
138.03125	12.2
139.03925	0.8
140.01048	2.9
141.01831	9.6
142.02606	1.6
147.04445	2.6
148.04878	0.7
149.02310	1.7
149.06003	2.7
149.09573	1.0
150.03122	1.4
150.05507	0.7
155.03389	5.1
159.02943	1.6
161.04468	43.5
162.04828	1.9
163.03902	1.4
165.05484	23.2
166.05939	2.5
166.85925	0.6
175.03902	0.9
175.06122	1.7
178.02643	11.8
178.06360	0.5
191.05583	1.4
193.01343	1.6
193.05026	10.8
193.07121	24.6
193.08571	1.1
194.07559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
52.06852	0.6
58.00466	6.1
59.01248	16.8
67.19067	0.6
69.03342	0.9
71.01261	3.4
71.58290	0.7
71.58656	0.7
72.99164	1.2
73.02827	2.6
77.03869	0.7
83.01256	0.8
85.02833	3.5
85.61979	0.5
85.99963	0.8
87.00771	2.2
89.03865	1.2
93.03328	7.4
94.44383	0.5
95.01271	0.8
95.04903	2.7
97.02828	1.2
99.00762	3.4
101.02309	4.0
101.81488	0.5
102.83360	0.5
106.04124	67.3
107.04304	1.1
107.04977	7.8
108.02052	30.6
109.02362	0.9
119.04909	4.7
121.02842	2.2
123.00769	0.8
123.04404	31.9
124.04794	1.8
125.02382	0.9
131.04895	2.8
132.02075	5.3
133.02849	100.0
134.03246	5.4
135.04434	3.2
138.03134	9.5
141.01825	0.8
147.04459	1.6
149.05974	0.9
150.03152	1.1
161.04434	6.7
163.03940	1.4
165.05479	24.2
166.05959	1.2
174.90994	0.6
175.03960	0.7
178.02620	3.2
193.05006	7.8
193.07121	3.2
193.08690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
58.00470	7.1
58.40458	0.7
59.01252	20.0
69.03329	1.2
71.01263	4.3
73.02808	3.6
83.01237	1.5
85.02828	4.6
85.99984	1.6
87.00761	2.8
93.03338	5.8
95.01247	1.2
95.04902	3.4
97.02795	2.6
99.00767	3.8
101.02315	4.5
106.04125	71.8
107.04980	7.0
108.02055	22.8
109.02334	1.0
119.04896	4.4
121.02827	1.6
123.04411	31.3
124.04729	1.1
125.02338	1.4
131.04883	1.5
132.02058	4.6
133.02853	100.0
134.03136	4.1
135.04404	3.4
137.05925	0.9
138.03123	7.8
141.01814	1.9
147.04448	2.6
149.02313	1.0
150.59636	0.9
155.03383	1.0
161.04446	5.3
165.05490	19.4
166.05814	0.8
172.61641	0.7
175.03911	1.0
178.02594	1.4
193.04968	4.7
193.07062	2.9
214.13329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
54.15999	0.3
57.03326	5.6
58.99478	0.4
59.01255	3.2
67.01756	2.5
67.03059	0.3
69.03323	0.6
69.41618	1.2
69.42048	1.1
70.10603	0.3
71.01250	2.3
72.88364	0.3
72.99181	0.8
73.02821	1.2
73.16515	0.3
81.03342	1.1
83.01260	0.4
83.04890	0.8
85.02824	42.3
86.03173	1.1
87.00752	43.8
88.01091	1.0
88.93285	0.3
93.03342	5.1
99.00765	1.0
99.04410	0.5
101.02333	0.6
101.05971	1.0
102.98484	0.9
103.03925	0.4
106.60508	0.3
109.02828	1.4
111.00766	82.6
111.04382	2.0
112.01122	2.4
112.01821	0.4
112.98704	0.6
117.01822	0.5
127.03911	4.3
129.01843	5.1
130.99789	0.8
137.02306	0.4
147.02850	0.4
154.99814	0.7
171.02896	1.0
173.00848	1.4
173.04434	1.8
176.01137	0.7
191.01962	8.4
191.05540	100.0
192.05887	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	191.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
58.02849	0.3
59.01256	1.1
65.00171	0.2
65.01310	0.9
65.99709	0.6
67.01744	0.3
67.02888	0.3
68.01303	0.3
70.72601	0.7
70.73016	0.2
71.01254	0.4
72.99182	0.2
73.02809	0.4
75.02276	0.2
81.04443	0.3
83.02398	0.4
85.02827	4.5
87.00748	4.8
92.02447	0.3
93.03327	0.4
94.02829	0.3
95.01244	0.9
95.02396	0.4
101.02357	0.4
104.02551	2.4
105.04453	0.3
106.04011	0.5
107.02404	0.3
108.02052	7.8
109.03930	0.3
110.02388	0.2
111.00761	11.6
112.01074	0.4
117.01826	0.3
119.01259	0.3
119.04883	0.4
120.02061	2.6
121.02836	0.6
121.03972	0.8
122.02425	0.2
122.03520	1.3
122.75323	0.2
123.01921	0.5
129.01822	0.5
134.03473	0.6
135.04454	0.2
136.05090	0.4
137.03468	0.5
146.03540	0.4
147.00804	0.3
147.01907	0.2
147.04434	0.7
148.01570	7.2
148.05037	0.9
149.01952	0.2
149.03482	0.5
149.04608	0.7
149.08243	0.5
150.03024	0.6
150.06599	0.2
162.09122	0.2
163.00255	0.3
163.03929	0.5
163.06215	0.2
164.04561	1.0
165.03001	0.3
173.00839	0.4
173.04512	0.3
176.01071	100.0
177.01419	6.0
177.05388	0.2
178.99741	0.4
191.01927	1.2
191.03444	17.1
191.05530	6.7
191.07057	0.4
191.09230	0.4
191.10739	2.6
192.00684	0.3
192.03813	1.6
197.61676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
54.31869	0.2
57.03312	0.4
58.21827	0.1
59.01239	0.6
67.01756	0.2
69.26177	0.2
69.31843	0.3
69.32248	1.3
71.01277	0.1
72.99184	0.2
77.03834	0.2
79.35161	0.1
85.02822	2.4
87.00744	2.4
91.01763	0.8
93.03358	0.6
95.01279	0.4
97.79291	0.2
98.20545	0.3
109.02879	0.2
111.00764	5.3
112.01091	0.2
113.95938	0.2
118.99202	0.4
119.01249	0.5
119.04920	2.1
121.02841	100.0
122.03168	5.0
123.05539	0.2
126.07044	0.2
129.01849	0.5
135.00803	0.2
135.04434	0.2
147.04413	7.0
148.01614	0.4
148.04910	0.3
163.00282	4.6
163.03912	0.6
164.00688	0.2
176.01059	2.7
190.99814	3.6
191.01874	0.5
191.03435	6.9
191.05537	3.3
191.07103	0.3
191.09177	0.2
191.10742	0.7
191.14188	0.2
192.00021	0.3
192.03780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
57.03323	0.4
58.02799	0.1
59.01247	0.4
61.38682	0.1
65.01317	0.5
65.99715	0.6
68.01276	0.2
68.62561	0.1
69.03317	0.1
69.68508	1.0
69.86628	0.1
71.01250	0.2
72.99210	0.2
73.02818	0.2
81.04458	0.1
82.03980	0.2
83.02383	0.3
85.02827	2.4
87.00751	2.9
91.02874	0.2
93.03354	0.4
95.01257	0.3
95.04887	0.2
97.02777	0.1
99.33395	0.1
101.02351	0.1
104.02558	17.5
105.02885	0.7
105.04453	0.2
106.04005	0.3
107.02409	0.2
108.01990	0.2
109.03918	0.2
111.00766	5.4
112.01071	0.1
119.04865	0.3
120.02060	1.7
120.05574	0.2
121.02724	0.2
121.03975	0.4
121.05794	0.1
122.03503	0.4
123.00803	0.7
129.01826	0.4
134.03442	0.4
136.05019	0.2
137.03427	0.2
147.00777	0.2
147.04402	0.2
148.01567	18.9
148.05090	0.4
149.01912	0.9
149.04633	0.3
149.08194	0.2
150.06743	0.1
163.00278	0.4
163.03903	0.3
164.00751	0.2
164.04549	0.5
167.96841	0.1
173.00887	0.3
173.04514	0.2
174.03033	0.2
176.01071	100.0
177.01411	6.4
180.00595	0.6
189.25908	0.1
191.03439	19.5
191.05495	3.0
191.07106	0.4
191.10721	1.0
191.14149	0.1
192.03827	1.3
192.07680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82722	0.3
57.03343	0.4
59.01245	0.8
65.01349	0.3
65.99715	0.4
71.11416	0.6
79.95589	0.4
83.07991	0.3
85.02821	2.6
87.00745	2.0
90.95175	0.3
91.01783	0.4
93.03308	0.4
94.58414	0.3
95.01272	0.5
104.02557	17.3
105.02871	0.7
108.02026	0.6
111.00751	3.7
120.02037	1.7
121.02854	0.4
122.03478	0.3
123.00774	0.8
134.03502	0.3
147.04358	0.5
148.01556	17.7
149.01941	0.6
149.04594	0.3
163.00281	1.2
164.04503	0.4
176.01071	100.0
177.01419	6.1
180.00536	0.6
183.65250	0.3
190.99805	1.1
191.01974	0.7
191.03435	19.2
191.05498	4.5
191.07095	0.7
191.10651	2.0
192.03853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
51.75863	0.3
57.03321	5.9
57.83865	0.3
59.01246	0.8
60.14612	0.2
67.01759	2.3
69.34429	0.2
70.78635	0.3
70.78999	0.8
71.01239	0.5
72.46771	0.3
72.99172	0.3
73.02817	0.4
85.02820	29.2
86.03156	0.8
87.00748	47.4
87.58190	0.2
88.01093	1.0
96.06219	0.3
101.02306	0.5
101.05956	0.4
103.03870	0.4
111.00759	100.0
112.01096	3.9
112.98664	0.6
115.03989	0.3
122.51112	0.3
129.01837	5.6
130.48352	0.3
130.99734	0.7
147.02890	0.7
154.99731	0.7
173.00803	1.9
176.01114	0.4
191.01894	10.6
191.05508	3.2
192.02171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
56.85234	0.2
57.03321	5.7
59.01238	1.7
67.01747	2.3
69.03329	0.3
69.88634	1.0
71.01256	1.4
72.99180	0.4
73.02817	0.4
83.04881	0.4
85.02820	33.2
86.03159	0.9
86.75471	0.2
87.00748	48.3
88.01086	0.7
93.03322	1.7
99.00807	0.4
99.04433	0.3
101.02328	0.8
103.03889	0.4
109.02856	0.3
111.00761	100.0
112.01102	3.1
112.98675	1.6
127.03886	0.9
129.01830	5.8
130.99799	0.6
133.01312	0.3
140.84280	0.2
147.02925	0.4
148.56416	0.2
148.94868	0.9
154.99725	0.7
161.09950	0.3
171.02942	0.5
173.00800	1.9
173.04518	0.3
191.01921	11.1
191.05540	22.1
192.02132	0.3
192.05872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.8
58.99469	1.5
59.01246	4.2
60.99173	0.3
67.01758	2.2
69.03308	0.4
70.54213	1.0
70.54561	0.4
71.01249	3.7
72.99178	2.1
73.02819	1.3
81.03326	0.9
83.01257	0.7
83.04887	1.0
85.02818	49.0
85.06425	0.6
86.03150	1.7
87.00746	51.9
87.04379	0.4
88.01092	1.4
93.03326	7.0
95.01241	0.5
98.20397	0.4
99.00771	1.0
99.04382	1.3
101.02347	1.0
101.05960	5.3
102.98468	3.8
109.02843	1.3
111.00757	100.0
111.04378	2.6
112.01094	4.3
112.98698	1.4
113.02312	0.4
115.03911	2.4
121.02809	0.3
125.02323	0.3
127.03900	4.2
129.01823	5.6
129.05476	1.4
130.99763	0.7
137.02440	0.4
145.04982	0.6
147.02911	0.5
152.00119	0.4
154.99744	0.9
155.03352	0.4
171.02898	1.4
173.00845	1.9
173.04436	1.7
176.01082	2.3
191.01952	9.6
191.05522	91.2
192.05876	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	190.9978
Annotation	TRIMELLITIC ANHYDRIDE
Peak:m/z	Relative Intensity
51.02251	0.4
57.03324	1.9
59.01256	4.3
61.98705	0.4
63.02274	0.7
65.00186	1.8
67.01741	0.7
69.03314	0.7
71.01259	0.9
72.99172	0.8
73.02818	1.3
75.02284	0.5
77.74686	0.3
79.01775	0.5
79.08070	0.3
81.03356	0.3
81.04443	0.3
81.74696	0.4
82.41927	0.3
83.01267	0.6
85.02823	15.2
87.00750	14.8
88.94160	0.4
89.02277	0.3
91.01767	17.2
92.02092	0.5
93.03320	2.4
95.01259	9.2
97.26373	0.3
98.20486	0.8
99.00732	0.6
101.02290	0.4
103.91858	0.3
104.02543	1.3
105.04464	0.4
107.01270	1.6
108.02116	0.5
109.02799	0.4
111.00759	29.6
112.01089	1.2
113.02298	0.5
117.01835	0.8
118.99184	2.1
119.01273	9.1
119.04887	1.0
120.02084	0.5
120.04419	0.3
120.05520	0.3
121.02831	1.8
122.03488	0.4
127.03898	1.2
129.01793	1.5
131.03394	0.4
131.86572	0.5
135.00764	4.6
135.04407	0.9
137.00192	0.4
145.86215	0.4
147.00780	0.7
147.04428	1.6
147.08057	0.7
148.01540	1.4
148.05075	0.5
148.29659	0.3
149.08182	0.4
151.03784	0.4
153.01845	0.5
154.99661	0.8
161.04449	0.4
163.00272	100.0
163.16260	0.3
163.87123	0.7
164.00626	5.4
171.02841	0.4
173.00861	1.1
173.04486	0.6
175.70305	0.3
175.99510	0.7
176.01051	12.1
176.04533	0.3
177.01503	0.8
190.85112	0.7
190.99783	87.1
191.01611	2.9
191.03452	7.2
191.05521	21.1
191.07036	1.2
191.09177	0.7
191.10678	5.0
192.00154	4.8
192.03970	0.4
192.06009	1.1
210.23494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0761
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
50.06644	0.3
59.01247	3.9
65.01315	0.4
65.16952	0.3
65.27517	0.3
65.99725	0.9
69.53730	2.4
71.04898	4.5
73.93864	0.3
85.02844	0.3
85.06474	0.5
91.02888	0.4
98.20518	0.6
99.08029	34.2
100.08377	1.6
101.05954	0.8
103.41048	0.3
106.03969	0.4
107.02400	0.4
110.67818	0.4
127.07537	34.4
128.07878	1.6
129.05463	100.0
130.05788	3.8
145.08598	5.4
147.06680	0.6
148.05035	0.8
162.06569	0.5
163.05132	0.4
165.36519	0.4
171.06526	6.1
172.06856	0.4
173.42365	0.3
176.12579	0.3
189.07597	41.9
190.07852	2.4
196.72430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1332
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
50.41426	0.3
51.64542	0.3
53.30593	0.3
57.03308	0.4
58.70491	0.3
59.01252	100.0
60.01577	1.4
61.98702	3.1
65.01323	1.0
71.04903	0.4
78.41356	0.3
79.39261	0.3
81.65173	0.3
82.03972	0.3
90.97047	0.6
93.59560	0.3
93.69608	0.3
96.99168	0.3
97.06499	1.2
98.20643	0.7
106.03968	0.3
113.09551	0.4
118.03970	0.4
121.05158	0.4
122.89310	1.0
123.08064	0.7
125.09618	7.5
127.86996	1.4
132.05615	0.4
132.98111	0.5
133.03976	0.8
141.12766	1.0
141.86710	7.3
141.87796	0.4
142.89278	4.3
144.04417	0.9
144.05533	0.5
145.05104	0.6
146.03511	0.4
158.03702	0.5
159.01498	0.8
159.04333	0.4
159.85982	0.9
159.87784	7.5
160.05098	1.2
176.56805	0.4
186.85605	1.0
186.88356	0.9
187.01382	0.4
187.03842	0.5
187.06189	0.9
187.07738	0.7
187.09709	3.6
187.13315	9.6
187.86055	0.5
188.03363	0.4
188.13655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0967
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
56.19901	0.2
57.03323	3.9
59.01231	0.4
65.01308	0.9
68.01271	0.3
68.02395	0.2
69.03329	0.5
69.75592	1.5
71.04928	0.3
76.57417	0.2
83.04904	0.5
87.85649	0.2
91.02901	0.4
95.04922	0.6
97.06464	13.2
98.06770	0.5
99.79171	0.3
105.04509	0.3
117.04390	0.3
118.03993	0.5
119.02395	0.3
119.69324	0.3
123.08039	5.9
124.08449	0.2
125.09606	100.0
126.09939	6.0
132.05617	0.3
133.03969	0.6
141.86749	0.3
142.04094	0.4
143.10655	2.1
145.03925	0.3
145.05066	0.6
146.03516	0.3
147.04247	0.4
160.05037	1.5
161.04594	0.3
169.08597	2.7
187.06212	2.1
187.09671	40.8
188.10005	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	186.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15770	0.2
58.02848	1.8
59.01270	0.5
65.01324	2.0
65.99710	1.2
66.00879	0.3
66.03349	0.3
68.01302	0.3
71.58566	0.3
72.37193	0.2
81.04478	0.3
87.00755	0.3
87.89201	0.2
89.01348	0.5
90.00861	0.4
90.42756	0.2
91.02914	0.8
92.02455	0.3
96.08077	0.4
97.06503	0.3
105.04464	0.3
106.04012	0.4
115.02876	0.3
116.02461	0.6
117.04504	0.4
118.02935	0.2
118.03993	0.5
119.02380	0.4
120.05585	0.3
120.65470	0.2
121.05103	0.9
123.08015	0.2
125.09607	1.8
130.04028	0.6
131.03561	0.3
132.05608	0.7
133.04001	1.0
134.73102	0.2
137.19356	0.3
142.04010	0.6
142.12283	2.9
144.05600	0.9
144.10210	100.0
145.05099	0.6
145.10570	4.3
146.03519	0.5
147.04289	0.6
157.05141	0.6
159.02962	0.5
159.05524	0.4
159.06691	1.2
160.01376	0.3
160.05087	2.6
186.02888	0.3
186.07784	0.9
186.11276	13.6
187.03922	0.3
187.06158	2.1
187.09676	1.3
187.11530	1.0
187.13234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	[1S-(2-endo,3-exo)]-1-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
56.60375	0.5
59.01248	4.8
61.30644	0.5
63.97099	0.4
64.99089	0.4
65.01321	3.7
65.99715	1.0
66.00839	1.3
68.11256	0.5
69.03341	0.6
69.27367	4.3
71.01251	1.0
72.99167	0.5
77.01266	0.5
78.60222	0.4
78.95787	0.7
79.95600	1.2
80.72070	0.4
81.04475	0.6
83.04897	1.3
85.02835	0.6
89.01321	1.0
91.02899	2.3
92.02395	0.5
95.37500	0.4
97.06460	0.6
105.04429	0.7
106.03987	0.9
110.98421	0.6
115.02888	1.1
116.02451	1.1
120.05562	0.9
121.05087	3.7
123.08035	1.3
125.09605	0.8
125.87233	0.8
130.03973	1.4
131.03557	0.6
132.05574	1.7
137.09613	1.2
139.11168	1.7
140.89581	5.9
141.09146	3.0
141.12761	0.7
143.03506	0.6
144.04338	1.0
144.05554	2.8
145.03906	0.5
145.05144	1.1
149.09593	2.2
155.10677	34.9
156.11032	2.1
157.05139	0.5
157.86189	1.1
158.02423	0.5
158.03532	4.3
158.04626	1.0
158.07098	0.9
159.03006	0.9
159.05525	0.8
159.06680	2.1
167.10684	29.6
168.10999	2.1
184.88597	1.3
185.04651	2.8
185.08382	4.0
185.11751	100.0
186.07794	1.6
186.12146	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	183.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50324	0.3
55.88420	0.3
57.03315	0.8
58.02842	0.5
59.01237	0.9
59.31218	0.3
64.11837	0.3
65.01327	1.8
65.99713	0.3
66.00845	0.4
68.14446	0.3
71.01254	0.4
71.57198	0.4
85.02813	0.4
89.01307	1.1
90.00851	0.6
91.02901	0.6
95.01241	0.6
95.02366	0.3
98.02345	0.4
105.04469	0.4
106.03976	0.6
111.00776	0.8
112.03913	0.7
115.02913	1.0
116.02457	0.5
123.00761	1.0
124.01553	0.6
128.02448	0.3
130.03975	1.3
131.03560	0.4
136.98706	0.3
137.09543	0.4
139.00266	0.5
139.07541	1.0
139.11194	1.8
140.01045	0.7
141.01877	0.4
142.04008	1.1
143.03531	0.8
143.04778	1.4
144.03218	0.3
144.04277	0.6
152.98148	0.3
153.00581	0.7
153.88416	0.3
155.03542	0.5
155.10706	0.5
156.04282	0.5
156.05574	3.5
157.03876	0.5
157.05083	4.9
165.01883	0.3
168.00523	1.7
175.03786	0.4
183.00490	2.4
183.02927	5.8
183.06644	3.8
183.10448	3.4
183.13823	100.0
184.03386	0.3
184.06212	2.3
184.14160	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	183.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53967	0.6
57.03310	0.8
58.02825	0.6
59.01245	1.8
64.54350	0.5
65.01308	2.4
65.99731	0.9
67.01752	2.1
68.01288	0.7
68.99692	0.7
69.03315	1.4
69.30694	3.2
69.31119	1.8
71.01250	1.0
71.04873	0.7
72.99171	0.7
83.02390	0.7
83.04890	0.6
87.38501	0.5
89.01331	1.8
90.00879	0.6
91.02921	0.4
91.70667	0.5
95.01262	8.7
95.04914	0.5
96.01576	0.6
97.02835	1.0
101.02337	1.1
109.01541	0.6
111.00756	2.3
111.08039	0.6
112.03915	1.5
113.07094	0.7
115.02892	1.4
121.06472	1.1
122.46716	0.5
123.00758	16.0
124.01581	0.7
124.03950	0.7
125.01049	1.2
130.03979	1.0
131.03493	1.1
136.98752	0.9
137.01109	0.6
137.09631	0.7
139.00256	1.5
139.07565	1.0
139.11208	2.5
140.01035	1.5
141.01839	0.7
141.06651	0.6
142.04010	1.9
143.04764	1.8
144.04340	0.8
151.45966	0.5
152.98154	0.7
153.00572	14.6
154.00949	0.7
155.10669	1.4
156.05577	5.3
157.05074	5.5
165.09143	0.7
165.35306	0.5
168.00533	3.5
179.18585	0.5
182.68234	0.6
183.00397	66.4
183.02803	11.3
183.06592	4.1
183.10301	10.6
183.13818	100.0
184.00793	3.2
184.06166	2.6
184.10509	1.0
184.14139	8.8
200.49887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.89445	0.2
56.50554	0.2
59.01229	0.7
61.98687	0.3
64.75461	0.3
65.01318	0.7
69.03335	0.3
69.55232	0.7
69.55647	1.2
71.01253	0.4
83.04896	0.3
94.02852	0.3
98.02338	0.4
98.15779	0.3
101.02305	0.5
111.00768	0.8
112.03920	0.6
115.02852	0.3
124.01540	0.9
130.03958	0.4
136.98708	0.3
138.90016	0.4
139.00290	0.7
140.01047	1.0
140.07071	0.5
142.04030	0.3
143.04805	0.5
152.98190	0.5
156.05579	1.2
156.13792	0.5
157.05095	1.0
168.00595	1.7
183.02916	6.6
183.06650	1.2
183.13829	100.0
184.03477	0.4
184.06136	1.0
184.14330	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	183.102
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
56.99889	0.8
57.03325	1.5
57.48627	0.8
59.01243	1.6
60.99175	2.2
65.01312	2.5
68.99697	1.2
69.03326	4.4
71.07665	1.7
71.07983	1.1
72.73818	0.9
83.04877	1.5
89.01352	1.2
90.00849	1.2
95.04939	1.0
97.02821	1.0
98.02328	0.9
101.02330	1.1
109.06461	1.0
111.00786	1.0
112.03947	1.1
115.02935	1.2
119.08536	3.5
121.06477	2.3
123.07994	1.3
124.01581	1.0
130.03993	2.1
135.08069	11.6
137.09625	95.2
138.09941	3.3
139.00301	1.2
139.11195	36.0
140.01033	2.0
140.11569	1.5
142.04056	1.4
143.03571	1.0
143.04791	2.2
144.04311	1.4
153.09128	10.8
154.09431	1.1
156.05579	6.0
157.03995	1.2
157.05078	6.0
165.09093	4.7
168.00552	4.4
183.00377	2.8
183.02945	13.8
183.06752	5.7
183.10191	100.0
183.13737	2.7
184.06215	1.3
184.10516	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	183.1381
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.47153	0.3
57.03312	0.5
59.95502	0.3
69.52143	1.7
69.52551	0.6
71.92935	0.3
74.05721	0.3
80.23779	0.3
90.31183	0.3
104.35910	0.3
115.57444	0.4
137.09563	0.4
156.05577	0.4
183.02892	1.0
183.13823	100.0
184.14165	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	182.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01772	5.6
58.02823	3.6
59.01243	10.9
64.01739	3.6
65.01311	12.5
66.03355	46.3
67.01751	3.8
68.01283	4.8
70.93899	9.0
71.01231	5.4
72.01569	3.9
72.99171	4.1
80.04932	4.2
80.26996	3.2
89.01334	5.8
90.00836	6.5
91.02895	3.6
94.06495	100.0
95.01278	3.9
99.59077	3.3
100.11755	3.3
102.02719	2.9
108.08079	25.6
109.03912	3.5
110.02332	4.1
110.08913	5.4
110.09635	89.6
111.01846	4.0
111.09914	4.9
112.05066	3.6
120.08072	70.9
123.00740	5.6
124.01561	6.4
125.03483	3.6
128.02383	3.5
130.03979	4.2
136.07535	5.3
137.03331	2.9
138.05472	6.9
140.01009	4.7
140.04591	4.6
141.01920	6.6
143.04745	3.6
152.00647	7.1
154.08643	23.4
155.03514	35.8
156.05568	9.4
164.07074	9.3
165.01910	3.6
167.02966	11.3
168.00539	7.0
182.02144	4.7
182.04533	49.6
182.08150	27.3
183.02940	37.0
183.04411	5.2
183.05148	3.7
183.06616	9.7
183.10039	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	181.0863
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
55.01754	4.5
57.03323	5.9
58.02859	1.5
59.01252	40.3
65.00207	2.0
65.01311	1.7
67.01767	1.3
67.05408	1.7
69.03329	3.2
70.89851	2.6
70.90170	1.2
71.01255	44.8
71.76263	1.1
72.99170	1.4
73.02827	12.9
82.17667	1.2
83.01274	4.4
85.02815	7.2
87.00743	2.1
89.02316	28.6
89.74241	1.3
90.02654	1.4
91.05419	1.7
93.03340	2.9
95.01271	2.2
95.04882	2.4
96.95878	1.8
97.02840	5.4
101.01303	1.5
101.02328	35.1
107.04913	1.5
109.02832	3.8
109.06489	2.5
113.02338	4.1
119.03382	3.2
119.04898	2.8
119.08553	5.0
121.06493	8.5
121.89406	1.3
123.00759	7.6
123.04417	3.8
131.03331	1.9
135.08040	8.1
136.08441	1.3
137.02364	1.3
137.09621	100.0
138.09953	4.8
151.00279	26.8
151.03897	2.1
153.01836	3.3
153.09122	70.2
154.03993	2.8
154.09482	2.7
155.03561	4.2
163.06042	3.9
163.07527	3.2
166.02626	35.7
167.03004	2.6
181.01404	2.4
181.05066	15.2
181.07091	30.6
181.08640	45.8
181.12222	3.6
182.04707	3.9
182.07382	1.5
182.08974	2.6
183.93694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.01757	0.4
55.97200	0.2
57.03321	0.8
59.01252	4.7
59.13518	0.2
64.95406	0.2
65.00190	0.4
65.01320	0.4
65.99727	0.6
69.03334	1.2
69.37601	0.2
69.71140	1.4
71.01257	7.6
71.01661	0.4
72.99197	0.4
73.02830	2.7
75.00751	0.5
79.05407	0.4
81.03357	0.5
82.02860	0.3
83.01251	1.8
83.02399	0.6
85.02828	5.3
85.13089	0.3
87.00755	22.3
88.01098	0.5
89.02316	1.7
89.03841	0.6
91.05421	0.8
93.00813	0.4
93.03365	1.0
94.02843	0.4
95.01247	0.7
95.02439	0.2
95.04918	0.4
97.02841	2.0
98.02384	0.3
98.19880	0.5
99.00763	5.9
101.02328	2.9
106.02892	0.3
106.04096	0.8
107.01326	0.3
107.04918	2.8
108.02058	0.8
109.02837	0.5
109.03928	0.6
110.03489	0.4
111.00756	0.3
113.02328	1.3
117.01824	4.2
117.03315	1.2
118.03960	0.3
121.02851	0.9
122.03536	0.8
123.00750	0.4
123.04429	0.6
125.02339	2.8
129.01857	0.5
133.02890	0.3
134.03651	13.3
135.04428	100.0
136.01556	0.3
136.04755	5.7
136.15355	0.3
137.02307	0.7
138.03110	0.2
139.03908	0.3
141.01831	2.0
150.03108	0.6
151.03931	1.6
151.07536	1.5
152.04564	0.5
159.02922	1.5
161.04478	13.6
162.04828	0.6
164.01076	1.8
164.04756	0.5
165.01778	0.3
177.04012	0.5
179.01865	0.4
179.03442	14.0
179.05562	15.1
179.07066	2.0
179.10751	0.3
180.03856	1.0
180.05913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
51.86416	0.5
55.01745	1.8
57.03318	3.0
58.00452	1.4
59.01247	23.6
65.31192	0.5
65.99717	0.8
68.99680	1.3
69.03317	4.4
69.73318	3.3
71.01252	35.1
72.01586	0.6
72.99178	4.5
73.02816	11.4
75.00742	14.2
79.01751	0.7
81.03314	1.4
83.01260	5.4
85.02823	20.3
86.03145	0.8
87.00748	100.0
88.01082	2.0
88.85042	0.6
89.02312	10.8
95.01271	2.9
97.02829	7.7
99.00754	26.8
100.62035	0.5
101.02319	12.4
105.01818	1.1
106.98492	0.6
111.00776	2.0
113.02323	4.6
117.01820	15.0
118.02196	0.5
123.00753	1.1
125.01432	0.9
125.02324	11.9
129.01846	2.5
131.03377	0.6
131.73978	0.5
141.01825	9.4
143.03352	1.5
147.02888	1.0
159.02888	5.5
161.00798	2.4
161.04462	63.1
162.04811	2.2
177.03976	3.8
179.05530	64.1
180.05864	2.5
197.13794	0.6
199.98796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82946	0.1
55.01759	0.2
59.01246	1.2
63.90707	0.1
69.03329	0.5
70.18817	0.7
71.01260	2.1
73.02841	0.8
79.95595	0.2
83.01260	0.6
85.02814	1.7
85.03197	0.1
87.00756	7.7
89.02331	0.4
95.01303	0.2
95.95100	0.1
96.95908	0.3
97.02837	0.7
99.00755	1.8
101.02350	0.8
106.74164	0.2
108.02050	0.2
113.02333	0.4
117.01820	1.2
119.06995	0.2
119.93568	0.4
121.02849	0.3
123.00767	0.2
125.02338	1.1
129.01903	0.3
134.95990	2.0
135.04422	0.4
136.01508	0.2
136.93910	100.0
137.93980	8.7
141.01833	0.5
151.07553	0.7
151.92624	10.2
152.92731	0.8
154.94963	1.8
159.02892	0.3
161.04469	4.5
164.00999	0.7
164.04674	0.3
169.93707	0.2
177.04008	0.5
178.94984	49.3
179.03502	0.4
179.05530	4.6
179.07079	0.9
179.95090	5.2
196.96080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36509	1.0
53.46761	1.0
57.03308	1.2
59.01246	4.7
63.01969	1.4
63.02270	17.3
65.00192	12.7
65.01327	1.0
65.03840	1.0
65.83706	1.0
65.99715	1.4
66.00526	1.1
66.45200	0.9
68.01267	1.0
68.99679	1.9
71.01250	6.7
71.25040	1.2
73.02808	1.5
74.32198	0.9
75.00743	5.5
77.03840	1.3
81.03322	2.1
82.04019	0.9
83.01255	4.5
85.02834	2.0
87.00756	2.5
89.02309	1.8
89.03329	1.7
89.03846	22.4
90.48583	0.9
91.01762	9.7
91.02924	1.0
93.03309	2.2
95.04890	3.6
96.95905	2.0
99.00757	3.8
101.02319	1.3
105.01852	1.2
105.03342	10.0
106.04024	1.3
107.01279	9.5
109.02843	4.4
117.01844	1.9
117.65138	1.0
118.44289	0.9
121.02849	3.3
123.04402	4.0
129.01842	2.5
131.01205	1.5
132.02075	2.9
133.02858	52.9
133.06497	4.3
134.03526	3.6
135.00783	46.8
136.01183	3.2
136.03922	1.4
149.02356	5.1
149.06010	1.5
151.00278	10.1
153.01848	3.6
159.00816	1.6
161.02393	1.7
162.03137	36.3
163.03531	2.1
168.61784	1.2
176.01190	1.1
177.01855	100.0
177.05278	5.9
177.09082	2.1
178.02269	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	177.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36509	1.0
53.46761	1.0
57.03308	1.2
59.01246	4.7
63.01969	1.4
63.02270	17.3
65.00192	12.7
65.01327	1.0
65.03840	1.0
65.83706	1.0
65.99715	1.4
66.00526	1.1
66.45200	0.9
68.01267	1.0
68.99679	1.9
71.01250	6.7
71.25040	1.2
73.02808	1.5
74.32198	0.9
75.00743	5.5
77.03840	1.3
81.03322	2.1
82.04019	0.9
83.01255	4.5
85.02834	2.0
87.00756	2.5
89.02309	1.8
89.03329	1.7
89.03846	22.4
90.48583	0.9
91.01762	9.7
91.02924	1.0
93.03309	2.2
95.04890	3.6
96.95905	2.0
99.00757	3.8
101.02319	1.3
105.01852	1.2
105.03342	10.0
106.04024	1.3
107.01279	9.5
109.02843	4.4
117.01844	1.9
117.65138	1.0
118.44289	0.9
121.02849	3.3
123.04402	4.0
129.01842	2.5
131.01205	1.5
132.02075	2.9
133.02858	52.9
133.06497	4.3
134.03526	3.6
135.00783	46.8
136.01183	3.2
136.03922	1.4
149.02356	5.1
149.06010	1.5
151.00278	10.1
153.01848	3.6
159.00816	1.6
161.02393	1.7
162.03137	36.3
163.03531	2.1
168.61784	1.2
176.01190	1.1
177.01855	100.0
177.05278	5.9
177.09082	2.1
178.02269	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	175.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19133	0.3
59.01242	1.0
65.01324	1.5
65.99718	0.5
67.18325	0.3
70.00539	0.9
70.00948	0.6
70.49468	0.3
71.01257	0.4
87.00765	0.5
91.02872	0.5
92.02412	0.5
93.03323	1.4
101.00214	0.3
106.03979	1.0
107.02428	0.4
107.04979	0.3
107.66575	0.3
108.02020	0.7
115.00282	0.4
117.03342	10.0
118.03678	0.6
119.04910	89.4
120.05222	4.0
121.02833	0.7
121.03943	0.4
130.04111	0.8
131.04919	1.9
132.05533	0.7
133.02821	1.3
133.03955	0.9
133.05040	0.8
134.03514	2.5
135.04355	0.5
145.02855	3.5
145.05034	0.4
147.04411	100.0
148.04781	7.3
161.02324	1.4
163.03928	0.9
165.05531	0.4
174.03145	0.3
175.03912	58.3
176.04333	5.0
191.03409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0392
Annotation	3,4-Methylenedioxycinnamaldehyde
Peak:m/z	Relative Intensity
50.32043	0.5
50.91185	0.5
59.01259	4.7
62.85633	0.5
64.01797	0.6
65.01318	6.1
65.99725	3.4
66.00845	0.9
66.03358	0.6
67.02885	1.1
68.01290	1.8
68.99687	0.8
71.01257	2.0
71.11359	1.3
72.99184	1.0
75.00772	0.5
77.01325	0.6
81.04441	1.3
83.01250	0.9
85.02855	0.7
87.00729	3.4
90.00892	0.7
91.02881	2.7
92.02427	1.7
93.03354	2.0
95.02380	1.2
96.00811	0.7
105.04472	1.9
106.01591	0.6
106.03974	4.1
107.02375	1.4
108.02060	0.9
109.03934	0.6
111.07999	0.9
115.00241	2.2
115.03877	0.7
116.02473	0.7
117.03342	10.0
118.03947	1.6
119.04910	85.0
120.04484	0.8
120.05208	3.7
121.02864	0.7
121.03960	2.1
122.03516	0.8
127.00210	0.5
130.04082	1.6
131.04913	2.2
132.04614	0.6
132.05521	2.9
133.02847	1.5
133.03979	3.1
133.05098	3.2
134.03481	8.0
135.04271	1.3
145.02867	2.8
145.05074	1.3
147.04410	100.0
148.01523	1.0
148.04915	10.9
149.03468	1.9
149.04565	0.7
157.05107	1.6
163.03925	1.1
174.88892	1.1
175.02588	2.1
175.03900	50.6
175.06155	6.0
176.04488	4.6
191.03391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83805	1.6
59.01236	4.5
65.01316	8.9
65.99728	2.8
66.00848	2.0
67.01760	10.4
69.03305	2.5
69.26362	18.5
71.01247	2.9
72.99166	1.7
73.02796	2.9
79.05414	1.6
91.02886	4.1
92.02444	1.6
93.03329	44.0
105.04450	2.1
106.03954	2.7
111.00729	2.5
111.04375	4.3
111.08025	3.2
116.02465	1.9
119.02389	5.7
130.03960	3.4
131.03537	3.2
132.05518	3.4
137.02284	1.9
145.02788	1.7
146.03473	7.2
157.10127	6.7
171.11674	8.9
173.04564	11.0
173.05919	3.3
173.08208	4.0
173.09547	3.9
173.13257	100.0
174.06616	2.8
174.13660	8.9
187.11034	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	173.1326
Annotation	Ionene
Peak:m/z	Relative Intensity
57.03326	1.5
61.70379	1.4
63.43095	1.4
65.01311	3.6
67.01746	5.5
69.33651	13.7
73.02798	2.4
73.13524	1.5
83.04885	2.4
87.74513	1.6
93.03323	29.2
99.00742	1.6
111.04398	3.4
111.08038	2.6
116.35961	1.5
120.25905	1.4
124.21875	1.4
144.04364	1.9
146.03496	3.8
157.10168	7.9
171.11734	11.9
173.04514	4.7
173.05885	2.6
173.11850	4.0
173.13255	100.0
174.13626	9.7
187.11330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0239
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01749	7.6
57.03310	4.0
57.58173	1.2
59.01248	26.8
67.01752	2.3
68.99689	17.2
69.03312	4.3
69.51750	2.0
69.52158	6.1
71.01251	37.0
72.99174	22.4
73.02818	12.7
75.00739	23.0
80.79691	1.0
83.01253	20.2
85.02820	18.8
87.00746	100.0
88.01070	1.4
89.02295	3.8
93.73155	1.2
95.01278	5.7
96.18408	1.0
96.99190	1.7
99.00755	29.7
101.02337	7.4
103.00245	4.3
111.00763	12.4
113.02316	10.8
115.00251	37.3
117.01816	5.5
127.00259	53.7
128.00624	3.0
129.01840	10.5
139.00230	5.2
145.01337	4.9
157.01280	5.7
157.22453	1.2
175.02388	19.8
176.02951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Ionene
Peak:m/z	Relative Intensity
55.10806	2.3
59.01242	2.2
65.01317	13.3
65.99726	5.4
67.01752	9.3
71.58488	4.8
74.41933	2.4
88.80631	2.5
91.02904	3.0
91.37601	2.1
93.03337	35.7
97.11292	2.0
106.03998	3.1
108.11499	2.4
111.00735	3.2
111.04392	6.4
111.08014	3.4
118.03925	2.9
119.02409	5.6
125.44090	2.3
132.05605	3.1
146.03482	10.3
157.10117	9.8
171.11702	9.9
173.04532	16.2
173.05928	4.9
173.08180	5.1
173.09619	4.0
173.11891	4.4
173.13263	100.0
174.13589	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	173.1174
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
52.88372	0.3
57.03307	0.9
58.02821	0.4
59.01244	3.2
60.99172	0.9
65.01317	4.9
65.03836	0.3
65.99716	2.0
66.00848	0.6
66.13053	0.2
66.55011	0.3
67.01757	5.5
67.44126	0.3
68.01283	0.3
68.99705	0.4
69.03324	1.5
69.23493	0.2
71.01256	2.2
71.04894	0.5
71.58504	0.4
72.04420	1.6
72.99164	0.6
73.02809	1.5
75.00766	0.2
77.01308	0.5
79.02860	0.4
81.03326	0.7
81.04453	0.3
82.03979	0.3
83.01276	0.4
83.04890	1.3
85.02832	0.9
86.05987	0.5
87.00742	1.3
89.01345	0.7
90.00838	0.3
91.02882	1.7
92.02409	0.8
93.00800	0.3
93.03328	19.6
94.03665	0.9
97.06452	0.3
98.02352	4.5
99.00772	1.1
99.04393	0.4
99.08079	0.3
100.07542	0.4
103.01682	0.3
104.02414	0.6
105.04464	0.8
106.03996	1.4
108.01909	0.5
109.02816	0.6
111.00764	1.9
111.04377	2.9
111.08026	2.3
112.07567	1.1
112.08306	0.3
113.05938	0.5
114.05492	0.6
115.00256	0.4
116.02461	0.7
116.03409	3.1
116.04910	0.3
118.03997	1.0
119.02406	3.2
121.03989	0.4
122.03582	0.3
124.71001	0.3
125.09638	0.6
127.11168	12.3
128.11504	0.6
129.01843	0.3
129.09067	0.4
130.04012	1.8
131.02516	0.4
131.03514	1.8
131.04362	0.4
131.06053	0.4
132.05595	1.9
133.02686	0.5
133.03963	0.6
133.05045	0.4
137.02341	0.6
143.03490	0.7
144.04408	0.5
145.02814	0.6
145.05054	0.6
146.02365	0.6
146.03493	5.6
146.04610	0.6
146.07120	1.2
147.01869	0.7
147.02930	0.3
147.05495	0.7
147.06587	0.3
155.03465	0.7
155.10678	2.9
171.10272	1.3
173.00764	0.3
173.02293	0.5
173.04575	7.4
173.11737	100.0
174.03020	0.4
174.05377	0.6
174.06628	1.4
174.07869	0.5
174.12068	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	173.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05539	0.7
57.03322	6.1
58.02848	1.1
59.01241	3.2
65.01312	10.2
65.12775	0.8
65.99723	4.9
66.00833	1.4
67.01756	6.7
69.03321	3.1
69.41661	3.0
69.42096	4.0
71.01250	4.9
72.99183	1.5
73.02822	3.1
74.02326	0.7
75.00723	0.8
77.01341	1.0
81.03336	1.6
83.04889	14.5
85.02814	2.2
89.01318	1.8
89.83040	0.8
91.02889	3.3
92.01277	1.4
93.03332	40.9
94.03668	1.8
97.15189	0.8
98.20524	2.0
99.00758	3.3
99.04388	1.0
102.00789	0.8
103.01655	0.9
103.02857	1.0
104.02447	1.1
105.04478	2.9
106.03996	4.2
108.01955	1.7
109.06459	5.2
111.00756	3.1
111.04418	4.4
111.08035	100.0
112.08393	4.0
115.00349	0.8
116.02435	2.3
117.03371	0.9
118.03996	2.2
119.02398	8.4
120.01955	1.3
121.03954	1.1
129.01872	1.4
129.09094	7.0
130.02747	0.7
130.04008	4.7
130.06517	4.1
131.03545	5.1
132.01942	1.3
132.05547	4.2
133.02754	1.1
133.03922	1.5
137.02357	1.2
138.06378	0.9
143.03532	1.8
144.04475	1.6
145.02692	1.1
145.05081	1.9
146.02382	2.0
146.03503	14.6
146.04631	1.2
146.06006	1.3
147.01942	1.4
147.02997	1.4
147.05556	1.1
155.03389	1.6
155.07019	2.2
157.05144	0.9
173.02277	2.1
173.04591	18.8
173.05858	2.5
173.08128	40.6
173.11722	6.4
174.01762	1.7
174.03009	2.0
174.05431	3.6
174.06670	2.5
174.08450	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	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58463	1.1
54.98066	1.1
55.01745	4.9
57.03334	5.7
58.02879	1.1
59.01254	10.7
60.99164	1.1
67.01762	9.7
67.36375	1.0
68.99670	3.8
69.03328	1.9
71.01255	100.0
71.05386	2.3
72.01589	1.9
72.99188	13.0
73.02831	10.3
75.00721	2.1
79.63715	1.2
80.99696	1.5
81.03310	1.4
83.01256	11.1
83.04880	2.7
85.02827	4.0
85.06443	1.6
87.00745	8.7
93.03338	44.1
94.03666	1.6
96.99205	2.7
99.00754	29.9
99.04368	1.6
100.98669	1.8
101.02344	1.7
111.00758	16.4
111.04411	13.5
111.08042	6.6
112.98689	44.7
115.00226	7.9
116.54755	1.2
124.98688	18.5
127.11209	1.8
129.01790	1.6
129.05455	3.7
137.02341	2.1
142.99762	45.2
144.00128	1.6
145.01343	1.7
154.99738	2.7
155.03400	7.1
173.00873	11.3
173.04460	7.0
173.08113	4.0
173.11749	3.4
174.01648	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00189	1.6
55.01758	7.7
55.07468	0.6
57.03328	7.6
58.00461	1.0
58.02840	1.1
59.01254	13.7
60.99169	1.1
66.92189	0.6
67.01762	8.6
68.99691	4.0
69.03332	2.2
69.14834	0.8
69.44237	4.9
70.02838	0.6
70.10452	0.6
71.01256	100.0
71.04898	1.4
72.01585	2.0
72.99181	13.8
73.02817	15.0
75.00759	1.4
78.95780	0.9
80.99690	1.5
81.03335	1.2
83.01260	11.5
83.04898	6.2
85.02825	26.5
86.03165	0.7
86.06007	2.1
87.00752	6.3
88.03925	2.5
93.03339	35.9
94.03713	1.1
96.96880	1.6
96.99199	5.0
99.00759	33.8
99.04378	4.5
100.01119	0.8
100.07568	1.0
101.02332	1.6
103.91866	0.7
109.02869	0.8
111.00768	70.4
111.04404	13.8
111.08058	2.7
112.01094	2.0
112.04770	0.9
112.98695	28.1
113.98981	0.9
115.00281	5.6
116.94987	0.7
124.98699	27.4
127.07601	1.0
128.07088	3.5
129.01839	6.5
129.05470	1.0
130.05037	1.9
131.08170	13.1
137.02371	4.5
140.98219	0.8
142.99770	53.8
144.00093	1.5
145.01323	1.2
151.53798	0.7
154.99788	4.5
155.03394	5.2
173.00850	11.7
173.02315	1.2
173.04462	6.3
173.08093	3.8
173.09351	0.8
174.01630	0.8
174.07642	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.0
57.03326	7.3
58.02844	1.7
59.01252	7.7
60.06031	1.3
60.99184	2.1
67.01767	14.0
68.99680	3.6
69.03318	3.5
70.78723	2.5
71.01254	100.0
71.04872	1.7
72.01591	2.3
72.99188	6.8
73.02824	9.6
75.00695	1.5
80.34007	1.1
81.03352	2.0
83.01273	10.3
83.04896	4.1
85.02815	15.1
85.99951	1.6
87.00734	4.7
88.03936	1.5
93.03340	45.1
96.99204	2.2
99.00762	33.8
99.04388	3.4
100.98706	1.4
111.00762	79.0
111.04412	8.7
111.08063	6.9
112.01102	3.5
112.98698	6.8
112.99831	1.8
113.02318	1.7
114.89848	1.1
115.00244	3.7
124.98714	24.3
128.07050	3.4
129.01826	4.0
129.05438	1.7
129.10229	1.6
130.04935	1.5
137.02354	2.0
142.99773	47.4
144.00117	2.3
154.99794	1.5
155.03406	1.8
155.33986	1.2
158.81071	1.0
173.00854	13.9
173.02258	1.2
173.04414	6.1
173.08049	4.7
173.11775	2.0
174.07620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
50.00212	0.4
53.90025	0.4
57.03312	1.1
59.01245	1.9
64.01811	0.5
65.00188	0.5
65.01315	11.3
65.10332	0.4
65.69296	0.5
65.99722	1.2
66.00836	0.7
71.01254	0.9
71.04876	1.0
72.99163	0.6
73.02831	0.9
75.34892	0.4
78.95766	1.6
79.02879	0.8
79.10483	0.4
81.04454	1.5
83.01234	0.5
83.04903	0.6
85.02860	0.6
86.02326	0.5
89.01321	5.8
90.00848	1.0
91.02912	0.8
99.00762	0.7
99.08034	1.4
105.04463	5.0
106.03993	2.9
109.06462	0.8
111.08046	0.7
114.56163	0.5
115.91920	1.5
116.02470	0.7
117.04465	1.0
118.02954	0.5
118.03907	0.6
120.05551	0.7
121.05041	0.5
125.09608	4.1
127.07569	3.4
127.11180	6.8
129.03261	0.9
129.04477	1.9
130.03993	7.0
130.08607	1.3
131.03542	0.6
136.00183	0.5
143.03650	0.7
143.04794	0.7
144.01921	2.1
144.04399	2.0
144.05569	7.6
145.03958	1.8
145.05086	1.8
153.09111	3.4
157.02611	0.5
171.01860	6.4
171.06714	14.8
171.10176	100.0
171.13843	2.5
172.02496	0.7
172.03851	1.3
172.05020	1.5
172.06119	3.0
172.10536	5.9
172.54143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59464	0.4
57.03318	0.5
58.02827	0.4
59.01244	1.3
64.00527	0.6
64.01782	0.5
65.01317	6.9
65.99717	0.7
66.00819	0.7
71.07570	0.7
72.99164	0.5
73.02863	0.5
78.70728	0.4
78.95761	0.5
79.02872	0.6
81.04449	1.1
88.12865	0.5
89.01329	4.3
90.00878	0.5
90.24172	0.5
91.02866	0.6
99.08006	1.0
103.02937	0.7
105.04443	3.3
106.03982	1.9
106.93553	0.5
109.06448	0.6
111.00788	0.5
115.91929	0.5
117.04473	0.8
118.03970	0.5
121.95280	0.5
125.09590	3.2
127.07516	2.1
127.11153	6.6
129.03201	0.6
129.04491	1.0
130.03989	4.3
130.08580	0.5
134.38896	0.4
144.04391	2.4
144.05562	5.6
145.03969	1.0
145.05006	0.7
153.09071	2.2
171.01846	4.6
171.06735	9.5
171.10162	100.0
172.03816	0.9
172.05051	1.4
172.06247	1.6
172.10526	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	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.2
57.03551	0.5
57.75045	0.6
58.02856	0.6
59.01248	8.8
60.70028	0.6
64.00515	0.6
64.01788	0.7
65.00978	0.8
65.01312	10.3
65.99716	1.2
66.00822	0.9
69.03326	2.6
71.38664	1.1
78.95779	1.6
79.02871	0.5
81.04472	1.1
83.04878	0.6
89.01322	4.1
91.02930	0.6
99.07995	0.5
103.02895	0.5
105.04446	3.9
106.03989	2.5
109.06454	3.0
111.08034	36.6
112.08376	2.1
115.66776	0.5
115.91956	1.1
118.03982	0.6
125.09605	1.0
127.07512	2.7
127.11171	13.4
127.12113	0.9
128.11531	0.6
129.04459	1.2
130.04015	4.7
130.08601	0.9
131.03525	0.9
143.03499	0.9
144.01947	1.3
144.04443	2.3
144.05571	6.9
145.03969	1.5
145.05072	2.0
146.26566	0.6
153.09111	49.7
154.09453	2.9
171.01872	4.9
171.06775	9.6
171.10170	100.0
171.13811	2.0
172.03822	0.8
172.04955	2.5
172.06230	2.4
172.10532	7.1
184.18250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0655
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.56646	0.5
52.43906	0.5
58.02845	0.6
59.01249	5.7
63.17600	0.5
65.01312	6.6
65.99715	1.3
66.00838	1.4
69.65552	3.3
70.33044	0.4
71.01227	1.2
72.99184	1.2
73.02825	0.5
78.95775	0.9
81.03304	0.8
81.04454	0.9
83.95403	0.4
86.02373	0.7
89.01320	3.2
90.00820	0.5
92.02421	0.6
95.91222	0.5
100.03939	0.8
102.00859	0.6
104.02454	0.6
105.04460	2.0
106.03980	2.4
107.04874	0.7
109.02819	0.6
109.05788	1.0
109.06470	10.8
116.02409	0.6
117.01984	0.8
117.04478	0.6
118.04005	0.6
120.05541	0.5
125.09586	0.9
127.07538	100.0
128.07872	5.8
129.04468	0.9
130.03084	0.8
130.03973	3.6
130.08640	4.3
131.01176	0.5
141.01913	0.6
143.03568	0.9
144.01955	2.5
144.04405	2.2
144.05574	4.1
145.03976	1.2
145.05104	2.2
171.01816	4.3
171.03139	1.1
171.04291	0.8
171.05357	1.1
171.06670	11.9
171.10172	13.6
171.13858	2.0
172.03792	1.0
172.05005	1.3
172.06227	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	171.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07697	0.3
59.01235	1.1
65.01313	5.2
65.99712	1.0
66.00832	0.9
71.01255	0.5
71.04893	0.3
71.29178	0.6
72.99170	0.5
73.55495	0.3
74.02351	0.6
78.95775	0.6
80.13772	0.3
81.04453	1.0
83.04899	0.4
86.02345	0.7
89.01322	2.3
97.06464	1.2
98.02368	0.5
100.03903	0.3
101.01313	0.5
105.04470	2.1
106.03975	1.3
106.12609	0.4
109.02831	0.5
109.06466	0.7
116.02451	0.7
117.04422	0.5
118.02849	0.6
118.03996	0.5
118.51097	0.3
120.05546	0.4
125.09655	0.4
127.07536	100.0
127.11171	1.4
128.07863	5.5
129.03114	0.3
129.04439	0.5
129.07002	0.5
130.03961	2.0
130.08620	0.6
131.03561	0.6
131.10835	0.3
143.03493	0.4
143.04858	0.3
144.01917	1.2
144.04431	7.9
144.05573	3.5
145.03970	1.1
145.05109	1.3
153.09106	1.4
171.01831	3.4
171.03104	1.1
171.04333	0.7
171.06602	14.8
171.08049	4.9
171.10185	11.0
171.13831	1.3
172.03885	3.9
172.05014	0.7
172.06139	2.1
172.08360	0.5
172.10599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44330	0.6
52.01809	0.8
57.03321	54.6
58.02845	9.0
58.03635	1.2
59.01246	100.0
60.01585	1.6
61.21299	0.5
65.01313	8.8
65.99725	0.9
66.03355	2.2
68.01290	1.5
69.72849	0.5
70.89512	1.6
71.04890	2.6
73.60765	0.5
78.95796	1.8
80.04893	3.4
81.04453	1.3
82.03978	0.6
83.04884	1.4
85.06450	1.2
89.01320	4.4
90.00862	1.6
91.02879	0.6
96.00826	0.7
96.04421	0.8
97.06447	1.0
99.04411	0.8
100.03894	0.9
102.00871	1.4
105.04474	2.6
106.04019	0.7
106.06499	3.1
108.08069	31.1
109.02849	0.6
109.06497	0.6
109.08416	2.1
110.06010	4.3
111.04372	2.9
112.00283	7.8
112.03889	1.1
115.02831	0.5
116.02431	3.1
117.04478	0.8
124.07560	17.3
125.07913	0.6
126.05506	1.3
126.09125	21.3
127.07559	1.9
127.09492	1.1
127.11172	1.5
128.07076	1.5
129.04482	1.4
129.05460	1.3
130.02739	1.4
130.03998	2.3
138.01797	0.6
141.05473	0.6
142.03987	1.3
143.02496	1.2
143.03542	5.1
143.04483	0.9
144.01924	1.8
144.05559	6.7
152.07062	7.5
170.04648	3.2
170.08145	44.1
171.01842	4.6
171.03175	1.2
171.06693	12.8
171.08476	3.2
171.10176	14.8
171.13737	1.0
172.33148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	100.0
59.03186	1.4
59.44941	0.2
62.83120	0.2
65.00208	0.5
68.99677	0.4
69.03326	0.6
70.02856	0.8
70.32200	0.2
70.35387	0.9
75.65312	0.2
78.26011	0.3
82.95293	0.3
87.00752	0.5
96.04481	0.3
96.95931	0.3
96.99168	0.3
97.02846	0.9
97.06473	0.6
104.76944	0.3
108.04447	0.6
110.59757	0.2
113.02528	0.2
125.02342	6.1
125.03253	0.5
125.05969	0.4
125.09641	0.8
125.99512	0.7
126.90251	2.6
132.86707	0.3
135.19348	0.3
141.01825	0.3
151.11198	0.6
153.01460	0.8
168.02805	0.3
168.06503	0.4
168.13837	6.6
168.15150	0.4
168.91338	0.9
169.01344	2.5
169.03914	0.4
169.08595	0.3
169.12260	0.6
169.14331	0.3
169.43735	0.2
172.43520	0.3
185.87694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.7
57.03319	1.4
58.02841	0.7
59.01236	1.1
64.01797	0.7
65.00206	1.5
65.01310	0.4
65.99710	0.5
66.03360	0.9
68.99693	0.9
69.03328	8.8
69.14774	0.5
71.01237	0.8
71.04893	33.5
72.05219	1.2
80.02548	1.8
80.50414	0.4
81.03327	1.9
83.01259	0.8
83.04901	8.7
84.13947	0.4
85.02839	1.1
85.43134	0.4
87.00761	0.5
89.01337	0.6
95.01295	0.5
95.04901	1.8
97.02829	3.2
97.06467	3.2
97.99997	0.6
98.02361	0.5
98.05988	0.4
102.00897	0.6
107.04890	1.2
109.02828	0.6
109.06496	0.7
110.02361	2.4
115.02904	0.9
116.02409	0.9
122.89350	0.6
123.08041	10.0
124.08359	0.8
125.02345	17.0
125.06020	0.9
125.09615	100.0
125.99490	6.2
126.02646	1.0
126.09948	5.6
126.90260	2.1
127.05027	0.9
129.03242	0.8
132.86734	0.5
134.86450	0.6
140.03395	0.8
141.01881	1.5
141.09149	0.6
142.03990	5.0
143.03508	1.2
150.87279	0.4
151.00221	0.6
151.03868	0.5
153.98997	1.4
154.02702	0.5
168.83511	0.5
168.88881	0.7
168.91298	0.6
169.01343	6.6
169.03912	0.7
169.05072	4.7
169.06273	0.7
169.08615	11.9
169.12286	1.0
170.04538	1.1
170.07175	1.0
170.09009	0.8
185.87679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02833	1.9
59.01249	1.3
61.98697	1.1
65.00222	0.7
65.01313	1.4
65.99712	0.6
66.03354	0.8
67.01778	1.0
67.02875	1.0
69.03336	0.9
70.02845	1.0
71.57223	1.0
72.99167	1.1
79.60286	0.5
80.02530	0.6
80.04929	0.6
81.03338	1.7
81.04443	1.9
82.02852	2.8
82.03968	3.7
82.95310	1.0
83.01276	0.9
83.02367	1.4
83.04900	1.2
84.04430	0.6
85.03957	3.1
86.02358	1.0
89.01329	0.6
91.01764	1.7
94.68208	0.6
95.01279	2.6
95.02376	0.7
95.04910	2.1
96.00804	0.6
96.04418	0.9
97.02805	2.2
97.03954	1.8
98.02356	1.4
98.03485	1.0
98.04300	0.9
99.01926	0.7
99.05533	0.9
103.91895	1.0
108.02048	16.3
108.04408	1.2
111.00758	1.1
111.04417	0.8
113.01430	0.8
121.02831	0.8
122.03578	1.0
123.00793	3.3
123.03497	1.1
123.04408	11.3
123.05346	0.9
123.05645	0.7
123.08043	2.4
124.01555	2.5
124.05029	2.4
124.89062	1.0
125.02340	2.9
125.03436	1.6
125.04566	1.1
126.01898	0.8
135.17064	0.6
137.02361	1.0
138.03075	0.9
139.03909	1.4
139.07539	0.8
140.02512	3.1
140.03404	0.8
152.01071	33.4
153.00465	1.3
153.01569	1.6
166.83250	3.5
166.90953	0.8
167.03448	16.2
167.07120	6.9
167.10698	100.0
168.02969	1.7
168.04236	1.1
168.11151	6.4
173.67772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27668	0.6
57.03321	3.3
57.98894	0.6
59.01251	5.3
65.00188	0.8
65.03836	0.7
66.03362	1.0
67.98613	0.5
68.53433	0.6
69.03307	1.0
71.01260	2.7
71.04906	0.8
72.99174	1.7
74.40524	0.5
77.03838	6.2
80.02557	1.4
81.03336	2.0
81.04477	0.6
82.03980	3.4
83.04890	5.3
85.02827	1.0
89.02345	1.0
93.03337	4.9
94.02894	0.9
95.04890	4.5
97.03963	1.2
97.06478	6.1
101.02283	1.4
107.04906	2.9
108.02033	1.1
108.04421	1.2
109.02846	1.8
109.06494	1.1
109.07288	0.6
111.08041	7.6
114.10486	0.5
119.04891	2.4
121.02842	100.0
121.06476	1.9
121.92138	1.8
122.03214	5.3
122.06004	1.9
122.89313	3.9
123.00760	2.0
123.04372	2.6
124.03925	1.4
124.04993	1.4
135.04399	5.1
137.02373	4.4
137.05943	0.9
137.09642	0.8
138.05469	0.9
141.91174	0.9
147.04425	4.2
147.11671	0.8
149.00859	1.9
149.05957	0.7
150.03130	9.4
151.00284	3.1
151.64040	0.5
157.86182	0.7
163.11192	1.9
164.83531	64.7
164.89275	4.0
164.90643	1.0
165.01828	10.8
165.04053	1.3
165.05481	9.6
165.09033	4.7
165.12778	12.1
165.83553	2.0
166.01222	0.8
166.04942	3.6
166.13083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58755	0.5
57.03320	19.9
59.01236	4.1
65.03851	0.9
66.03342	1.1
69.03323	2.0
70.07998	2.7
71.01248	2.5
71.04893	2.3
72.99167	1.4
76.09370	0.6
77.03821	6.0
78.67492	0.6
80.04948	1.1
81.03316	2.7
82.03979	5.3
83.04887	4.2
85.02827	1.3
87.00729	1.0
89.02299	1.1
92.91843	0.7
92.99672	1.6
93.03336	5.5
94.02859	0.8
95.01259	1.3
95.04914	1.8
97.03928	1.1
97.06448	3.0
98.20586	0.7
101.02319	0.9
107.04888	3.4
108.02045	1.2
108.04420	1.8
109.02802	2.2
109.06477	2.1
110.02406	0.7
111.08036	34.1
112.08383	1.3
114.65833	0.6
119.04895	2.1
121.02834	100.0
121.06476	2.0
121.92148	1.4
122.03199	5.1
122.05997	2.2
122.89314	4.1
123.00729	1.8
123.04417	3.5
123.05524	0.6
124.03846	1.0
135.04378	5.2
137.02338	5.9
137.05940	1.1
138.01759	0.8
141.91139	1.1
147.04411	3.8
147.11768	0.8
148.43359	0.6
149.00891	1.3
149.02295	0.8
150.03111	10.1
151.00249	3.4
151.03462	0.8
163.11163	1.8
164.83517	66.8
164.89299	3.2
165.01822	10.2
165.04083	1.2
165.05461	7.7
165.07629	1.1
165.09076	5.4
165.12747	65.9
165.83577	1.6
166.02426	0.8
166.04977	4.2
166.13068	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	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89433	0.6
57.10761	0.6
71.28358	1.9
72.00773	37.1
73.01099	0.8
91.05413	1.2
107.05862	0.6
120.04423	0.7
121.02859	1.8
135.04405	0.6
140.90282	0.7
146.06004	0.7
147.04411	100.0
148.04758	7.9
150.03169	1.2
162.51382	0.8
164.07072	51.8
165.01794	0.7
165.05629	1.1
165.07404	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68926	1.3
56.76585	1.3
58.00470	100.0
59.00792	1.5
59.01251	14.5
65.01321	3.7
65.88991	1.4
65.99710	3.4
68.71559	1.3
71.01251	19.0
71.58748	2.0
72.99175	6.0
75.00751	2.2
77.03819	2.1
81.03338	2.6
81.04450	3.1
82.03962	9.1
83.02380	2.1
85.02823	1.6
93.03336	60.9
94.03655	2.4
95.01263	4.0
95.02402	4.2
95.04881	1.5
95.21788	1.4
96.05559	1.3
97.03956	9.1
106.04107	4.1
107.04906	82.6
108.02037	3.6
108.04540	1.2
108.05186	3.0
109.02838	3.6
109.03975	3.0
109.06464	1.9
115.43290	1.2
119.04915	90.7
120.05241	6.5
121.02845	59.6
121.03788	2.3
121.06445	2.0
122.03516	5.6
123.00776	4.6
123.01852	2.0
123.02972	1.4
123.04416	3.7
123.05457	3.1
123.06664	1.7
124.04037	2.2
124.05053	7.8
125.03516	1.4
134.03613	2.3
135.04419	39.3
136.04758	2.9
137.02367	15.6
137.05994	7.6
138.02954	3.9
139.03876	1.3
147.04433	14.1
149.02394	1.3
150.03111	12.0
151.00302	3.8
163.03928	8.7
164.83575	1.7
165.01828	18.5
165.04112	1.9
165.05472	42.6
165.07707	1.9
165.09129	4.6
166.05965	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	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01245	0.2
65.01334	0.8
65.99734	0.5
66.00836	0.2
66.03342	0.1
67.02876	0.3
68.01283	0.2
70.45571	0.2
70.45937	0.2
71.01264	0.3
72.99177	0.1
77.01326	0.1
81.04444	0.2
82.03988	1.2
83.02390	0.4
85.02829	0.2
91.01778	0.4
91.02912	0.3
91.05418	0.3
92.01321	0.1
92.02468	0.2
92.04922	0.2
93.03339	1.5
94.02861	0.2
95.02412	0.2
95.06018	0.1
97.03970	0.1
101.02314	0.3
106.04012	0.4
107.02454	0.1
109.03973	0.3
117.03377	0.2
118.04016	0.1
119.04920	100.0
120.01920	0.2
120.04410	0.5
120.05233	5.8
121.02792	0.2
121.03985	0.6
121.05093	2.0
122.03487	0.3
123.01892	0.2
132.65822	0.1
134.03500	0.3
135.00795	0.2
135.02940	0.1
135.04430	0.3
136.01506	0.2
136.04041	0.2
136.05078	0.8
137.03482	0.4
137.05571	0.1
140.20850	0.1
146.03506	0.4
147.04349	0.2
152.00797	0.1
153.52364	0.1
162.83862	0.3
162.89267	0.2
163.00288	0.8
163.03920	6.6
163.06149	1.2
163.07529	0.2
164.04486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01231	0.3
65.01314	0.5
65.99712	0.2
71.29097	0.3
85.02836	0.3
91.01771	0.6
91.05415	1.5
93.03352	1.9
101.02338	0.6
117.03369	0.3
119.04918	100.0
120.01961	0.3
120.04436	0.3
120.05245	5.6
121.02839	0.3
121.05092	1.0
135.04407	0.8
136.04033	0.3
136.05040	0.4
137.03438	0.3
162.83826	0.7
163.00288	0.6
163.01636	0.2
163.03915	5.7
163.06105	0.8
163.07446	0.3
164.04462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.2
57.03320	9.5
59.01250	15.3
66.00842	35.5
71.01254	36.2
71.04888	2.2
71.56845	2.9
72.99180	26.8
73.02818	100.0
75.00718	3.9
75.30748	1.5
81.03326	8.5
83.01250	15.9
83.04892	5.6
85.02859	1.8
85.72345	1.4
87.00759	5.9
87.04373	2.8
89.02322	6.6
91.01795	2.7
92.95887	1.9
93.03362	1.9
99.00750	3.8
99.04394	15.5
101.02318	55.4
103.00246	35.6
103.00870	2.9
115.00244	14.1
117.01788	1.6
117.05435	4.4
119.03376	8.7
119.04905	14.1
120.04400	1.7
127.00249	6.3
133.01309	6.6
135.04396	2.3
145.01334	31.5
145.04961	17.2
158.37344	1.5
162.83821	69.4
163.00327	3.0
163.02411	35.2
163.03802	3.6
163.06027	39.4
163.90685	7.5
164.06342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0236
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
55.01752	0.5
57.03329	2.3
58.00470	0.5
59.01251	9.2
60.01584	0.2
63.31949	0.2
65.00214	0.2
65.01316	2.2
65.99729	0.9
66.00845	0.6
67.02880	0.4
67.53978	0.2
69.03335	0.9
69.36394	1.8
71.01255	8.3
72.01598	0.3
72.99181	1.5
73.02818	8.4
74.03139	0.3
75.00765	0.6
77.03853	0.8
81.03324	1.7
83.01254	3.1
84.02063	0.3
85.02822	12.5
86.03191	0.3
87.00745	1.3
87.04425	0.3
89.02320	2.2
89.03821	1.0
91.02905	1.1
92.01311	0.4
92.02426	0.7
93.00857	0.5
95.04901	0.4
97.02812	1.4
99.00766	0.7
99.04407	0.5
101.02324	1.3
104.02529	0.8
105.03341	2.4
105.04478	0.2
106.04037	0.5
107.02387	0.5
110.29538	0.2
113.02340	1.9
113.51213	0.2
115.01789	1.8
117.03380	0.5
118.02888	0.3
118.04010	0.5
119.02396	0.7
119.03468	0.3
119.04837	0.4
119.05978	0.3
120.01944	0.8
120.05608	0.7
121.02726	1.0
123.04404	0.5
125.02365	0.8
131.03398	5.0
132.02069	12.0
132.05602	0.2
133.02850	100.0
134.03267	6.8
135.05511	0.4
143.03468	0.5
160.01530	0.4
160.84077	0.9
160.89240	0.5
161.02353	61.8
161.04347	7.9
162.02805	3.9
162.04828	0.2
162.06688	0.7
180.39584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01254	100.0
60.01582	1.6
60.99191	0.5
64.01810	0.3
65.01324	2.1
65.99722	1.1
66.00854	0.4
68.99709	0.5
69.03330	0.6
70.89734	0.3
70.90086	0.8
71.01256	1.5
72.99225	0.4
73.02829	2.2
75.00762	0.5
75.15645	0.3
80.37003	0.3
85.02840	0.6
87.00764	1.2
88.03934	0.7
88.83171	0.3
89.01349	1.3
90.00862	1.0
91.02887	1.5
97.02841	0.3
97.06471	0.6
99.00766	1.1
99.92459	0.4
101.02359	1.1
105.04446	0.3
106.04009	2.1
108.05601	0.3
108.25488	0.3
111.00784	1.1
113.02363	0.7
113.09658	1.4
115.07626	0.4
116.02454	0.8
116.04948	0.4
116.92783	0.8
118.04020	1.1
119.02390	0.7
119.04782	1.1
120.03141	0.5
129.01868	0.8
131.03513	0.3
132.01938	0.4
132.04677	0.5
132.05597	2.4
133.03996	1.9
133.05113	0.9
141.01859	0.5
144.04349	0.4
158.89243	0.3
159.03004	2.5
159.04158	0.3
159.06660	2.6
159.10188	8.8
159.89304	0.6
160.03926	0.6
160.04994	1.6
160.10500	0.3
174.09651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03309	1.4
59.01240	3.2
65.01313	4.5
65.30605	0.6
65.99705	1.8
66.00831	0.9
68.99670	1.5
69.03317	2.9
69.87737	2.8
71.01250	5.5
72.99172	0.9
73.02816	6.5
74.02345	1.0
75.00736	1.1
75.76227	0.6
77.01309	1.1
81.03292	1.1
83.01257	0.9
83.04885	2.3
85.02828	3.3
87.00726	3.9
88.03902	1.1
89.01313	2.3
90.00851	5.5
91.02887	1.4
95.04896	22.8
96.05237	1.2
97.02820	1.0
97.06460	100.0
98.06796	4.5
98.19947	0.9
99.00743	4.6
100.01543	1.1
101.02325	2.9
106.03975	1.5
111.00752	3.9
113.02321	1.9
113.09564	0.9
115.07529	31.4
116.02441	2.3
116.07870	1.5
116.92732	1.0
118.03989	2.0
119.02380	1.7
119.04774	2.2
120.03147	0.5
129.01826	3.2
130.03993	0.5
131.03505	0.7
132.01897	1.5
132.05544	2.8
133.03966	2.4
133.05043	0.7
141.05489	2.3
142.03979	0.7
144.04272	1.1
159.02982	11.3
159.06548	33.7
159.10109	2.7
159.89323	0.6
160.03940	1.0
160.05078	2.1
160.06863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1225
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
50.08352	0.3
57.03306	1.0
59.01252	8.1
61.98695	0.5
65.01315	0.7
68.99700	0.6
69.03316	0.8
69.67612	1.9
71.01235	1.6
75.00745	3.5
83.04891	0.6
84.99189	2.1
85.02821	1.4
85.06425	0.4
87.00747	0.8
89.01335	0.5
95.04918	0.5
96.95886	4.5
97.06458	0.8
98.19802	0.8
98.95481	0.4
99.00768	2.4
106.83212	0.3
110.54391	0.3
111.00755	0.6
111.08057	0.7
112.92139	1.5
113.05995	0.8
113.09595	1.8
114.91909	0.5
114.98782	0.6
115.00243	2.4
115.02951	0.4
116.07053	0.6
127.00258	4.8
127.07515	0.3
128.04919	0.7
130.03992	1.5
130.06509	1.2
139.07539	1.5
139.11200	0.4
146.03807	0.4
156.89330	2.6
157.01283	0.9
157.05058	2.2
157.08664	7.1
157.12247	100.0
157.86211	0.5
158.03505	1.1
158.06033	1.7
158.08026	0.6
158.12595	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	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06133	1.2
57.03311	3.3
59.01252	25.8
65.01317	18.7
65.99712	2.7
66.00852	1.4
67.05392	3.0
68.99663	1.1
69.43924	1.0
70.71967	2.3
70.72316	1.5
71.01259	21.5
76.17710	1.1
80.39072	1.1
81.99801	1.0
83.04903	3.1
85.02818	2.2
87.00745	1.9
88.01759	1.1
89.01331	12.1
90.00856	3.1
91.02882	4.0
92.02416	2.1
97.06458	2.1
98.19904	1.4
99.00745	2.6
102.00861	1.5
103.02901	1.5
106.04029	2.3
109.06458	8.1
111.08022	7.0
113.09608	3.3
115.00258	3.2
115.02901	4.7
116.02451	5.2
118.04001	2.1
121.06448	3.0
127.00246	6.9
127.07547	48.7
128.07880	2.7
130.04007	37.6
131.02536	2.1
131.03519	11.0
131.04402	1.9
139.07550	33.5
139.60779	1.2
155.07088	1.2
156.89409	1.2
157.01382	4.4
157.03830	2.7
157.05116	45.1
157.08611	100.0
157.12241	4.9
158.02345	1.9
158.03503	7.5
158.04642	5.1
158.05766	2.9
158.08940	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	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
58.02838	1.2
59.01250	100.0
60.01585	1.1
64.01807	1.1
65.01317	22.3
65.99731	1.4
66.00834	1.9
67.02895	0.5
68.99694	1.3
69.03327	1.3
69.31632	0.5
71.01251	3.4
71.04914	0.7
71.58289	0.6
71.58714	0.8
72.99184	0.6
75.00735	0.8
78.18150	0.5
83.04910	1.1
84.99189	1.7
85.02834	1.7
85.06454	0.8
86.02369	0.5
87.00755	2.0
88.01812	1.4
89.01327	11.4
90.00858	2.7
91.02877	6.1
92.02414	2.0
92.03204	0.6
95.04916	0.9
97.06468	5.2
99.00735	2.6
102.00854	1.3
103.02897	1.1
106.04021	3.2
111.00755	0.9
111.08054	1.8
113.05955	2.0
113.09624	2.4
115.00252	2.7
115.02905	8.9
115.28040	0.5
116.02432	5.6
116.03224	0.8
116.07098	0.6
118.04005	1.7
125.93271	0.5
127.00269	6.0
128.04900	0.6
129.03195	1.3
130.04004	45.1
131.02499	0.7
131.03516	9.5
131.04376	1.1
131.06026	0.6
138.60632	0.5
139.00317	0.8
139.07555	1.9
156.89381	2.0
157.01431	2.7
157.05093	42.8
157.08598	15.7
157.12190	3.5
158.02281	1.0
158.03485	7.6
158.04643	3.8
158.05751	2.7
158.07153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.40380	0.9
58.02829	1.2
59.01244	2.5
65.01316	2.2
65.63991	1.0
69.46615	3.1
69.47034	4.4
81.64907	0.9
84.04417	3.3
85.02812	1.9
85.43349	1.0
85.62183	1.0
89.01307	0.9
93.03343	1.7
96.00797	2.4
96.95882	1.4
101.01389	1.0
102.00838	1.1
111.04408	1.5
113.03465	1.7
128.02463	1.1
129.04478	2.2
130.67677	0.9
137.09578	1.0
137.90656	1.0
140.01126	1.2
155.03517	13.1
155.04677	1.5
155.10683	100.0
156.02921	1.3
156.05571	5.6
156.11026	8.7
162.51254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00371	0.9
55.01748	1.3
57.88699	0.9
58.02835	1.1
59.01231	1.0
65.00185	2.8
65.03841	1.5
66.03351	2.5
67.01762	1.3
68.99675	0.8
69.03315	3.6
70.16513	1.0
71.01246	2.1
71.04906	3.6
72.99174	1.4
79.60561	0.9
80.05329	0.9
80.96385	1.1
81.03333	6.6
82.02857	4.8
82.03983	1.2
83.01256	1.5
83.04898	1.3
95.04893	1.6
96.99177	1.1
97.02843	3.1
97.06466	33.1
98.02380	1.5
98.06798	2.0
99.08033	10.8
108.02060	9.2
109.02841	100.0
109.06470	3.0
109.99980	12.2
110.02477	1.7
110.03148	5.9
111.04446	1.2
111.05547	1.6
112.03896	2.7
112.05066	1.5
123.04465	1.6
124.03941	9.3
125.02319	5.7
125.09628	2.3
131.32210	0.8
135.04431	2.6
136.03951	3.9
137.09608	2.7
137.99492	20.9
138.00554	1.8
138.03123	1.7
138.99840	1.6
139.02646	1.2
140.43872	1.1
151.00278	1.9
151.11179	2.4
153.01855	31.6
153.03052	2.4
153.05493	6.7
153.12761	86.7
154.01282	1.4
154.05005	7.1
154.13116	7.8
170.68246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.8
57.03305	1.2
58.00455	2.1
59.01248	41.9
62.43630	0.6
65.99704	0.7
66.03355	7.0
69.36194	1.5
69.36597	5.3
71.01250	100.0
71.56863	0.6
72.01584	2.4
72.99181	5.6
73.02814	32.5
74.03152	0.9
74.99590	0.7
81.23763	0.6
83.01243	4.0
85.02823	9.8
87.00741	4.1
89.02312	48.2
90.02639	1.5
91.02740	0.9
91.03880	2.9
93.03330	1.1
94.95602	1.3
95.01260	1.9
95.02378	1.2
95.04902	1.5
96.77914	0.7
97.01858	0.6
101.02317	57.5
102.02640	1.9
103.03899	1.3
106.04011	0.7
107.04899	12.8
108.02042	4.8
108.04420	1.9
108.05208	0.7
109.02817	2.2
109.03933	0.9
110.02363	1.0
113.02318	1.4
115.03888	1.0
117.01817	14.5
118.89848	0.8
119.03390	4.5
121.03960	1.0
122.03613	1.3
123.00763	1.9
123.04413	10.9
124.01494	0.8
124.84629	0.7
130.37770	0.7
131.03384	2.3
133.03972	0.9
133.04929	6.6
136.01558	45.1
137.01900	1.9
149.04460	1.4
151.01300	1.3
151.02646	1.4
151.03949	22.8
151.06009	37.3
151.07280	1.3
152.01067	1.5
152.03296	3.4
152.04453	1.5
152.06255	1.3
154.22311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
58.02831	0.7
59.00986	0.6
59.01254	7.8
64.84949	0.4
65.01306	1.8
65.99722	1.9
66.00848	0.9
66.03355	5.5
67.01746	0.4
67.02882	4.8
68.01277	1.6
68.99682	0.6
69.03322	1.0
70.62969	1.1
71.01254	7.8
72.04417	15.3
72.99184	0.7
73.02820	2.3
79.01763	0.8
79.95604	1.1
80.04924	0.9
80.96394	3.7
81.04462	2.5
82.00455	0.5
82.02851	2.9
82.03992	1.1
83.01249	0.6
83.02377	1.2
85.02857	0.6
85.03957	0.6
87.72623	0.4
89.02316	3.3
90.05519	0.4
91.01760	1.2
92.01263	0.5
92.02553	1.9
92.03146	0.5
93.03341	0.4
95.01267	12.6
95.02387	1.5
95.04887	0.6
96.95868	0.8
97.03930	0.5
98.02349	0.7
98.16039	0.4
101.02314	4.2
106.00490	0.6
106.03986	1.1
107.01265	0.5
107.02395	0.4
107.04913	4.4
108.02056	15.3
108.04447	1.4
109.02905	1.0
109.03970	6.8
109.99056	5.8
110.02364	2.0
110.03516	2.5
110.04169	0.4
110.07094	0.8
111.01883	0.8
117.01823	1.2
119.01271	0.8
121.02898	0.7
121.03877	0.6
122.03586	2.0
123.00795	2.2
123.01858	0.3
123.04415	5.6
123.05392	0.9
124.03941	0.6
124.04976	1.0
125.03460	1.6
133.03995	0.4
133.04980	0.8
134.03519	1.1
136.01561	100.0
137.01888	5.7
149.26781	0.4
150.09738	0.4
151.03918	76.9
151.04834	3.3
151.06033	3.0
151.07510	1.1
152.00107	7.9
152.03410	0.7
152.04396	5.7
152.07024	0.8
152.08159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24351	0.7
54.66580	0.7
55.01738	1.8
57.03320	1.2
58.02837	1.8
59.01246	26.4
64.01774	0.9
65.01313	5.4
65.03819	1.2
65.99713	4.6
66.00835	2.5
66.03027	1.1
66.03355	15.7
67.01760	0.9
67.02876	9.8
68.01276	4.3
68.99715	0.7
69.03320	1.4
71.01249	31.0
71.06757	1.0
71.07115	1.3
72.04413	38.6
72.63749	0.7
73.02821	8.3
79.01768	1.0
79.02903	1.1
79.05402	1.2
79.49565	0.7
79.95617	3.6
80.02522	0.8
80.04935	2.0
80.96382	10.4
81.03307	2.1
81.04446	6.2
82.02871	5.4
82.03966	3.6
83.01224	1.8
83.02371	3.4
85.02811	3.0
85.03933	1.6
87.00774	1.2
87.54015	0.6
89.02310	15.4
91.02866	1.5
93.03332	6.5
94.70216	0.7
95.01264	3.3
95.02394	2.9
95.04896	3.2
96.95882	2.1
97.02807	1.4
97.03925	1.3
101.02317	18.6
102.02663	1.2
106.04067	5.0
107.01234	1.2
107.04903	100.0
108.02036	12.1
108.04439	2.2
108.05252	5.3
109.02856	1.7
109.03954	15.9
109.05099	1.5
109.99061	13.3
110.02357	4.8
110.03534	4.3
110.04221	1.4
110.07108	0.8
111.01873	1.4
117.01804	1.8
119.03336	0.9
121.02853	3.0
121.03963	1.0
122.03612	4.6
123.00771	3.3
123.04411	24.6
123.05420	2.0
124.00281	1.1
124.01461	1.5
124.03924	2.0
124.04993	2.4
125.02312	0.7
125.03450	2.2
133.03989	0.8
133.04950	1.8
134.03438	3.8
136.01553	98.3
137.01874	6.3
151.03923	53.6
151.04970	4.4
151.06038	10.9
151.07532	2.6
152.00110	19.6
152.03320	5.4
152.04491	4.8
152.07141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	32.8
69.81880	6.6
71.01261	3.8
72.99182	93.2
73.02820	2.9
75.00751	26.9
82.20113	1.2
85.02843	1.3
87.00751	100.0
88.01061	2.4
89.02312	11.0
103.00272	11.5
105.01823	6.3
118.81781	1.3
130.99789	2.0
131.03433	1.6
136.04077	1.3
149.00818	42.0
149.04486	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	149.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30120	3.3
59.01258	24.1
64.85536	3.1
67.39641	3.3
69.15908	2.8
70.78205	5.5
71.01251	14.1
72.99178	98.6
73.02817	6.6
75.00735	6.2
87.00749	100.0
89.02323	36.7
103.00271	10.8
105.01832	6.8
121.02831	26.9
141.42523	3.6
144.71127	3.7
149.00801	38.5
149.02293	10.6
149.04439	10.3
149.05899	4.7
157.23741	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00443	1.4
59.01244	10.3
69.03310	3.3
71.01250	38.5
71.58016	2.7
72.01588	1.7
72.99178	24.3
73.02817	14.9
75.00735	2.4
83.56940	1.2
86.23689	1.4
87.00746	25.9
88.01059	1.7
89.02312	100.0
90.02660	2.1
103.03873	5.2
121.02757	1.8
131.03392	9.4
149.00795	4.9
149.04448	28.5
149.18698	1.9
163.27278	1.4
164.27708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28847	3.3
53.06700	3.4
53.81342	3.2
59.01244	9.8
61.98697	7.8
64.01791	4.3
65.01305	20.0
65.99724	10.5
67.02846	3.2
69.35910	23.2
69.36327	11.7
69.51499	3.5
71.01244	8.7
72.99191	7.8
75.00754	7.2
79.02886	7.0
82.03975	3.9
92.04926	4.1
101.03880	3.6
105.04479	12.9
106.03994	14.9
107.02371	4.5
116.58570	4.3
119.04910	13.0
120.01954	6.5
120.05535	6.5
121.03977	8.3
147.01926	9.5
147.03175	5.8
147.04422	100.0
147.05495	6.1
147.06596	9.7
148.03996	4.0
148.05061	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	2.4
51.07705	1.5
51.82136	1.5
54.25595	1.4
57.03330	10.9
59.01248	100.0
60.01582	1.7
64.01801	8.1
64.33988	1.7
65.01318	39.7
65.99718	15.0
66.00834	2.9
67.02872	6.5
68.01268	2.9
70.02839	3.3
71.01247	6.5
72.99177	2.9
75.00748	5.5
77.01309	3.8
79.02895	9.6
80.04885	2.2
81.04437	4.9
82.02830	3.2
82.03970	5.8
83.04902	2.2
85.02805	3.8
85.06457	7.1
87.00738	2.1
87.04387	13.9
90.00844	4.7
91.02885	7.1
92.02409	5.8
94.02865	3.3
101.05944	10.4
104.75603	1.8
105.03258	2.2
105.04456	20.1
106.02898	3.4
106.03984	30.1
107.02395	3.8
108.03170	1.6
117.01910	2.6
118.04019	4.1
119.02369	3.7
119.03526	1.6
119.04872	3.4
120.01939	9.4
120.04450	1.6
120.05544	9.2
120.06347	2.3
121.03968	15.2
129.05432	5.2
130.04028	2.3
132.01993	1.6
136.45718	1.6
146.03534	3.5
147.01871	8.9
147.02985	13.7
147.04341	8.0
147.05505	6.3
147.06544	14.7
148.01303	1.9
148.03925	3.5
148.05055	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
63.47713	1.5
64.01809	2.4
65.01316	14.4
65.99726	6.2
67.02878	2.0
68.01273	2.7
69.87798	7.2
71.01247	2.5
78.34232	1.6
79.02885	2.8
82.03953	2.6
90.00890	1.8
93.03339	3.7
105.04475	6.9
106.03989	12.4
117.01963	1.6
117.03357	4.1
119.04910	23.5
120.01978	2.3
120.05527	3.9
121.03975	4.3
122.94048	1.4
129.03378	3.0
147.01915	3.7
147.04427	100.0
147.06726	6.2
148.04996	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	146.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91399	9.0
59.01254	12.9
61.38899	9.4
62.37473	8.4
69.73342	26.7
69.73766	31.6
71.01244	19.1
75.00750	11.6
98.20490	13.7
102.05467	100.0
128.03430	40.2
146.02373	10.2
146.04456	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	20.5
59.01249	7.0
59.13676	0.9
68.07502	0.9
70.55062	3.1
73.02811	1.3
75.00774	1.0
79.91834	0.8
85.02821	66.4
86.03164	2.4
87.00747	100.0
88.01092	3.1
100.09124	0.8
101.02310	3.5
101.05995	1.7
103.03895	7.2
129.00981	1.3
129.01845	12.9
130.02182	1.2
147.02890	26.0
147.06537	1.1
148.03226	1.7
164.38765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	1.0
51.69939	0.7
56.79650	0.8
64.01755	0.7
65.01312	2.8
65.99714	0.8
66.00848	0.9
69.03313	1.0
69.24790	3.7
69.25217	4.3
72.99187	0.9
73.22107	0.8
77.01321	1.1
81.04415	0.8
82.69495	0.8
83.04891	8.4
86.15018	0.8
90.00875	1.2
91.02899	1.3
97.06474	1.4
98.20579	1.3
99.08029	100.0
100.08347	6.3
105.03191	1.3
116.02393	1.1
118.02845	1.2
118.03987	5.7
119.02399	3.3
127.07553	2.8
130.66083	0.8
143.07033	0.9
144.01921	1.1
145.01501	1.5
145.02754	1.9
145.03954	2.3
145.04866	20.6
145.08595	36.2
146.02356	4.2
146.03493	4.2
146.04622	1.1
146.07111	1.0
146.08919	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64069	2.6
58.02859	16.8
59.01246	7.9
67.02872	7.8
70.02878	2.8
71.01257	26.7
71.05690	6.6
71.06067	6.0
72.00777	12.6
72.99164	6.0
74.02351	26.7
82.02860	10.0
83.01247	7.1
83.04881	3.9
84.04428	51.7
86.02354	9.3
87.00740	16.5
97.03970	3.6
98.02343	4.9
99.00821	5.1
99.05519	10.0
101.07073	15.4
102.05489	100.0
106.50066	3.1
107.02357	4.8
109.03964	47.9
115.00250	13.7
125.03483	19.1
127.00271	5.6
127.05032	99.3
128.03430	82.4
128.05399	4.2
131.70016	3.6
145.01329	5.1
145.03986	5.2
145.04977	5.5
145.06075	53.2
146.02370	5.6
146.03500	3.1
146.04485	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	33.2
59.11110	9.2
60.84237	9.3
65.35001	8.8
66.20346	9.2
70.96971	26.7
71.01255	100.0
72.83474	10.4
72.99183	22.3
77.44712	9.3
83.01270	28.0
87.00742	65.2
92.13097	9.0
95.79765	9.8
99.00762	12.2
101.05955	12.7
102.05489	11.5
115.00243	44.6
121.42187	8.3
127.00262	27.2
145.01361	17.2
145.03975	29.5
146.02370	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	14.4
59.01249	31.9
69.62648	20.2
69.63058	46.2
71.01244	100.0
72.99191	20.6
73.02824	14.2
76.07363	8.4
83.01296	26.0
87.00755	56.6
99.00748	16.8
101.02329	34.9
102.05468	51.8
115.00259	50.6
127.00269	23.9
128.03427	26.2
144.86911	16.7
145.01326	31.0
146.02432	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	144.102
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
62.15062	1.4
71.06129	2.0
71.06446	2.2
98.09611	1.8
98.43500	1.3
138.86754	1.7
144.04471	4.6
144.10204	100.0
145.03958	4.5
145.10567	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	143.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45042	43.3
71.28924	92.6
81.14923	41.4
81.73129	40.2
106.52486	37.9
108.49745	48.4
126.83073	43.1
132.39888	39.9
143.07008	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	144.0445
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
57.92235	0.3
58.02885	0.3
64.01785	0.6
65.01306	1.2
65.99711	0.8
66.00868	0.3
66.20394	0.3
69.67579	1.8
70.67459	0.3
72.08245	0.3
76.01752	0.2
77.01326	0.6
89.01331	0.9
90.00826	0.6
91.02880	0.5
99.08038	0.4
102.00838	0.4
105.03226	0.5
116.02436	0.8
116.04951	2.3
117.00809	0.5
117.01871	0.3
117.03348	0.5
117.04504	0.3
118.03994	4.4
126.03360	2.2
142.02829	0.4
143.03577	0.8
143.04750	0.4
144.04456	100.0
145.01459	0.3
145.02811	0.5
145.04860	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	26.3
59.01243	11.0
68.99689	8.2
69.03335	6.7
70.54153	9.8
71.01248	66.3
72.99184	5.3
73.02833	3.0
80.99700	6.9
83.01266	5.3
85.02817	8.6
87.00742	21.8
96.99185	28.2
97.19794	3.1
98.46591	3.1
99.04412	4.5
100.18053	2.8
102.05486	4.2
112.98680	35.8
115.00272	13.4
124.98692	88.6
125.02357	3.1
125.98962	3.2
140.98189	8.9
142.99760	100.0
143.03476	8.5
144.00073	5.0
144.04442	9.9
151.34879	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00200	35.3
55.01767	6.0
59.01249	11.4
63.03673	3.5
67.41927	3.5
68.99684	12.9
70.92362	10.5
71.01250	73.6
72.99179	7.4
74.67804	3.3
77.10374	4.5
80.99689	3.7
83.04887	4.6
85.02795	7.8
86.26535	4.3
87.00742	29.1
90.04541	4.1
96.99185	42.5
97.02824	4.0
99.08079	4.2
100.03884	4.3
107.99318	3.5
112.98681	48.6
115.00259	11.9
116.28571	3.4
124.98698	81.7
125.02312	9.0
140.98181	6.7
142.99760	100.0
143.03430	13.1
143.07065	4.5
144.00069	4.7
144.04433	23.3
158.99278	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	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	1.3
55.01752	1.5
58.02842	1.9
60.50323	0.9
61.07196	0.9
65.01309	2.3
65.16906	0.9
65.99718	1.4
66.00838	4.5
66.03337	1.2
67.01752	5.1
67.02880	3.3
67.59404	0.9
68.01290	5.5
68.99690	1.6
71.58285	1.5
75.32467	1.0
81.04458	2.9
82.02847	1.3
83.01266	1.4
83.02407	1.1
93.03322	1.1
94.03667	3.9
95.01234	1.1
95.02382	1.4
95.04884	1.8
96.00780	2.0
96.05525	1.9
97.03944	3.9
104.04755	0.9
108.02046	5.6
109.03971	2.7
110.02392	1.3
111.00758	13.2
111.01892	3.7
120.01929	3.5
122.02346	2.1
123.03151	67.8
124.01521	1.6
124.03485	3.8
138.01854	10.5
138.02872	4.5
138.05504	100.0
139.00287	8.9
139.03882	4.1
139.04887	1.8
139.05891	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	138.0186
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.19660	0.3
55.01744	0.8
65.99710	0.7
66.00823	1.1
67.01750	1.3
67.02879	0.6
68.01270	1.1
68.99684	0.4
69.37156	2.0
69.37580	1.1
74.15914	0.3
78.50445	0.3
80.60894	0.4
81.04437	0.4
82.03957	0.3
83.01247	0.7
93.03315	0.6
94.02859	0.6
94.03672	1.4
94.97957	0.3
95.01255	0.8
95.02400	0.5
95.04891	0.4
95.06046	0.3
96.00797	0.6
96.05596	0.7
97.03948	0.7
97.05053	0.4
108.02045	73.4
109.02373	4.6
109.03946	0.7
110.02339	0.4
111.00752	4.6
111.01875	0.8
120.01916	0.8
123.01801	0.4
138.01859	100.0
139.00362	2.0
139.02211	5.9
139.03903	1.0
139.04988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	2.5
54.61447	1.1
55.81792	1.2
57.03304	1.6
64.00519	2.2
64.01774	4.7
65.00181	1.3
65.01312	32.7
65.99707	8.1
66.00809	1.8
67.02871	2.8
68.01273	2.1
69.25945	1.1
70.14346	1.0
71.01250	19.8
72.99168	16.6
75.00752	5.9
77.03837	3.8
79.02869	2.8
81.04459	2.0
82.03967	1.7
87.00739	3.6
87.04375	4.0
89.02331	2.5
89.03827	10.6
90.00858	1.8
90.03315	1.2
91.01758	4.0
91.02884	15.4
92.01302	7.2
92.02413	9.9
92.03245	2.3
93.03352	2.2
95.04893	30.2
96.05250	2.4
98.19807	4.2
105.03325	4.1
105.04451	4.2
106.02858	2.5
106.03989	13.9
107.02414	11.4
107.03507	2.6
115.00242	17.5
121.02850	2.0
123.04397	62.7
124.04735	3.9
132.02060	100.0
132.86687	18.2
133.01234	2.4
133.02826	84.8
133.03949	17.4
133.05005	16.9
133.05974	2.3
134.03459	37.7
134.04581	9.1
134.06007	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	134.0462
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01308	4.2
65.99709	1.3
68.02387	0.9
70.04902	3.9
71.01242	3.3
73.02806	2.5
75.00746	1.1
81.33330	0.8
85.02819	8.7
91.01741	1.4
92.02410	11.0
93.03317	2.2
101.02293	1.1
106.04007	1.5
107.02380	1.8
107.03512	39.3
107.04871	4.3
108.02029	1.2
108.03859	1.9
134.02400	2.9
134.03563	10.6
134.04601	100.0
134.86411	2.7
135.04337	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	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46543	2.5
56.38829	3.1
59.01248	10.3
60.99143	2.5
65.01332	5.8
65.99709	7.3
69.07087	3.0
69.83359	16.8
71.01262	10.7
72.76849	3.0
72.99191	17.8
73.02831	4.6
75.00745	100.0
80.96394	8.7
85.02828	17.2
89.02319	10.0
92.04998	2.8
93.03336	6.8
98.20433	4.7
99.92400	4.1
105.95975	2.6
106.04026	5.8
107.04903	4.7
107.37762	2.6
108.02082	12.1
119.91212	2.6
134.03577	3.7
134.88268	14.3
134.89369	19.4
135.01929	5.3
135.02895	23.8
135.04430	54.2
135.96991	36.4
136.01596	5.1
136.03937	3.9
136.04979	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49908	2.6
70.50249	5.5
70.86829	1.9
71.01250	100.0
72.99179	30.3
75.00732	3.2
75.72700	1.9
84.95866	1.9
85.63550	2.1
87.00773	2.7
88.03071	2.1
89.02316	6.3
115.00255	86.5
116.00586	3.0
133.01312	16.7
133.04918	7.1
134.04536	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.9
60.67365	1.7
69.74196	9.2
69.74583	2.4
71.01250	100.0
72.01587	2.2
72.99173	23.1
82.10986	1.7
87.00751	7.5
89.02311	9.1
98.19878	2.2
109.38462	1.5
115.00249	87.8
116.00574	2.6
133.01328	18.4
133.04950	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24807	0.5
59.01239	1.9
68.38137	0.4
70.90617	0.9
71.01250	89.9
72.01583	2.3
72.99180	23.1
73.99525	0.7
87.00743	2.2
89.02313	7.7
96.32649	0.5
115.00251	100.0
116.00601	3.9
117.41236	0.5
132.44263	0.5
132.86682	2.2
133.01320	21.6
133.04948	0.6
134.01688	0.6
139.97014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.1
58.02849	4.0
59.01238	2.1
65.01309	2.6
68.67188	0.7
70.02844	8.1
70.34190	2.8
71.01239	3.8
71.02378	2.0
72.00775	3.0
73.02817	6.6
74.02445	0.7
75.00746	1.1
84.25549	0.7
85.02332	1.4
85.02823	16.8
85.06431	1.6
86.05965	0.9
87.00761	1.4
87.04391	3.9
88.03910	11.2
89.01310	1.5
95.02367	4.5
101.02315	1.3
103.02892	0.9
113.02354	2.5
113.03440	7.2
114.01843	12.3
129.03183	1.3
130.04001	16.7
130.04950	1.7
130.08623	100.0
131.03447	11.4
131.04453	3.4
131.08136	1.0
131.08971	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64426	0.5
59.01241	2.2
63.16327	0.4
71.01249	98.3
71.06040	0.5
71.06374	0.7
72.01598	2.7
72.99175	24.8
73.99523	0.5
79.99592	0.5
87.00737	4.5
87.04395	1.0
89.02315	8.8
115.00250	100.0
116.00589	4.8
126.31400	0.5
133.01309	19.4
133.04971	3.5
134.01654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	8.4
57.03324	27.0
58.02846	5.8
59.01226	5.0
67.01759	67.6
68.02086	3.3
68.99686	23.2
70.69947	4.1
71.01250	10.3
72.99195	11.1
73.02825	8.0
80.11578	2.1
80.67561	2.5
82.86185	2.0
83.01263	6.5
85.02818	100.0
86.03159	2.7
87.00754	5.5
88.03906	49.2
96.99183	2.8
99.00739	6.2
101.02316	4.5
111.00740	3.9
128.89098	43.4
129.01823	23.8
129.03841	3.5
129.05460	2.5
129.89207	4.0
130.04001	31.1
130.08633	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	130.0863
Annotation	L-Leucine
Peak:m/z	Relative Intensity
55.28894	0.6
57.03314	3.3
59.01233	1.2
60.69767	0.7
65.01318	1.6
71.01255	3.4
71.56428	1.1
72.99180	1.0
73.02819	4.1
75.00778	0.7
81.98760	0.6
85.02816	14.9
85.06464	2.6
87.04380	5.2
88.03905	2.3
89.01310	1.2
113.02292	1.9
129.03229	1.2
130.02966	1.1
130.03999	9.1
130.08623	100.0
131.03471	9.8
131.06979	0.9
131.08960	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	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.6
57.03313	5.9
58.02849	17.7
59.01255	24.2
65.99711	6.6
66.03348	9.5
70.71670	8.0
70.72044	8.1
71.01257	20.8
71.58349	3.7
81.03326	4.6
83.01276	8.1
83.02377	8.2
83.04913	5.6
84.04444	4.5
85.02814	19.5
85.03941	76.3
86.02332	18.5
86.04279	3.5
93.15867	3.9
99.00753	10.9
99.04408	7.0
100.03920	5.9
106.39962	3.6
109.06473	10.3
110.02341	5.8
126.90338	25.7
126.99440	8.6
127.00259	23.7
127.03031	4.7
127.03904	21.8
127.04948	9.0
127.06598	6.4
127.07542	100.0
128.01170	8.4
128.03394	20.1
128.06995	3.5
128.07895	7.0
132.33717	3.8
139.62770	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30055	2.7
62.61039	2.5
65.01318	3.2
67.38068	2.8
69.38068	3.1
69.47794	21.7
69.71423	2.5
74.51664	2.7
79.02881	5.4
79.05402	58.1
80.05741	3.3
81.03327	65.7
82.02879	5.5
82.04002	5.8
95.01266	25.5
95.02425	2.8
98.20493	4.6
98.93806	2.5
123.00767	10.6
123.01927	4.8
123.04420	100.0
124.01506	6.3
124.03934	4.6
124.04783	7.5
124.08363	2.4
128.86794	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	123.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84320	1.4
58.02840	2.3
59.85717	1.4
62.22685	1.2
64.01793	1.8
64.54011	1.2
65.01316	11.2
65.99695	2.4
66.00838	3.1
67.01746	2.8
67.02883	2.2
68.01289	3.8
68.99683	2.2
69.70881	9.5
79.02884	4.3
79.05402	55.5
79.05863	2.8
80.05735	2.9
81.03332	55.7
81.04419	8.3
82.02857	9.9
82.03994	13.6
93.03345	4.4
93.53416	1.2
94.02856	3.0
95.01262	61.2
95.04915	1.2
96.00775	2.2
96.01595	2.9
96.04472	1.3
98.19785	2.6
108.01998	2.9
116.50602	1.3
121.02847	5.1
122.03580	1.4
123.00770	39.3
123.01879	10.7
123.04403	100.0
123.05419	3.8
124.01537	22.4
124.03915	5.5
124.04879	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00231	2.7
55.54829	0.5
56.09473	0.5
59.01245	1.7
61.30296	0.5
64.01797	1.2
65.01318	10.0
65.99718	6.3
66.00813	0.8
68.01291	2.8
68.30777	0.6
68.87040	0.6
69.65748	3.8
71.01256	0.7
72.99155	0.7
75.82959	0.6
77.00889	0.6
77.01308	3.1
79.02898	1.4
85.46825	0.6
91.02899	4.9
91.05418	1.6
92.01307	5.7
92.02446	2.9
92.03228	0.6
93.00822	3.1
93.03325	3.7
98.19831	1.0
104.02466	1.0
105.03242	0.7
116.49288	0.8
117.03345	0.6
118.04008	1.5
118.92532	1.3
119.02431	15.8
119.04913	100.0
120.01941	9.5
120.05580	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	5.6
52.05595	0.9
55.13176	1.0
59.01258	2.4
64.01794	1.9
65.01318	16.3
65.99722	12.5
68.01279	2.7
69.86806	5.6
73.96693	1.0
77.01312	3.6
87.22011	1.1
91.02885	7.0
92.01289	5.8
92.02418	4.3
93.00816	7.1
93.03338	4.2
118.03999	3.0
118.92529	1.4
119.02399	26.5
119.03480	4.4
119.04899	100.0
120.01920	15.4
120.05557	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00751	3.6
89.02325	1.2
89.03817	1.6
93.03330	1.1
95.04907	3.8
98.86100	0.3
99.00806	0.4
100.77170	0.3
101.02317	1.1
105.03342	16.5
106.04121	1.1
109.02841	1.4
111.00774	0.6
112.98702	1.3
113.02345	0.7
115.82442	0.3
119.03325	0.3
120.83361	0.3
121.02837	1.5
123.04413	2.2
124.01595	0.4
125.02342	0.6
130.99750	0.9
132.02083	1.8
133.02846	100.0
134.03659	13.2
135.04416	5.7
137.02333	7.9
139.03943	2.0
147.04457	0.4
149.00755	0.7
149.02330	0.8
149.05959	0.5
150.03142	0.9
159.04401	0.6
161.04515	0.3
165.01709	0.5
175.03705	0.3
177.01845	60.4
178.02615	15.4
179.03400	10.9
183.13795	0.4
187.03896	0.8
188.04730	0.6
196.49620	0.3
211.13329	7.4
219.02908	2.3
221.06758	0.3
277.21710	5.0
283.13443	1.1
299.16357	0.8
301.14340	0.6
309.14877	2.5
327.15976	7.2
328.16486	0.5
345.17108	0.9
379.12402	1.2
385.34818	0.4
397.13489	2.8
415.14569	0.7
415.19623	0.5
437.20288	0.3
468.65872	0.3
591.26837	3.1
609.27600	1.5
657.34650	1.1
675.35950	1.3
725.29950	1.0
743.31079	1.5
869.33905	0.6
869.49060	5.5
870.49237	0.6
985.51404	3.9
986.51294	0.6
1003.52716	28.0
1004.52936	3.6
1022.67981	0.4
1047.51636	39.6
1048.52051	5.6
1179.53979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
62.06465	0.5
63.44489	0.5
69.73412	3.5
71.01250	1.2
72.00774	0.7
73.02815	100.0
74.02334	0.8
74.03135	3.2
95.98032	0.4
96.36103	0.5
99.00755	9.6
114.18259	0.6
116.92736	0.8
117.01812	13.6
117.07385	0.8
118.02889	0.8
118.03928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.89310	0.2
59.01245	0.5
65.01326	0.2
70.73440	0.6
71.01263	0.7
71.04906	0.4
73.02816	100.0
74.03148	3.2
74.03520	0.3
90.00865	0.5
99.00754	8.8
99.92461	0.6
100.01112	0.3
102.59267	0.1
116.92734	2.1
117.01823	13.3
117.05436	0.3
118.02168	0.6
118.02899	0.5
118.04001	0.7
124.25417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
71.01234	0.4
71.28191	0.5
71.28549	0.5
72.00784	1.0
73.02813	100.0
73.99127	0.4
74.02330	1.1
74.03143	3.6
92.81676	0.4
99.00748	8.9
99.92487	0.5
116.92741	2.0
117.01821	12.7
117.02631	0.8
117.07389	0.8
118.02175	0.6
123.69675	0.4
125.49931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16651	6.4
55.23301	6.9
59.01236	14.7
71.01234	20.8
71.04878	10.5
71.27740	6.7
71.28088	17.0
73.02819	100.0
87.00806	7.7
90.00855	14.8
99.00737	11.9
116.92768	8.8
117.01868	28.3
118.00385	8.4
118.02872	23.6
118.03991	13.7
137.20270	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	1169.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	0.5
83.01239	2.8
89.03812	0.5
96.95874	0.5
101.02336	0.7
102.59695	0.5
107.01275	4.9
108.94540	0.5
118.45361	0.4
124.01544	0.9
125.02334	11.3
133.02856	0.8
137.02438	0.4
145.02902	0.5
148.01564	0.7
149.02351	1.1
151.00270	12.6
151.01500	0.6
152.01025	0.7
157.06419	0.5
159.04399	0.8
161.02321	1.5
162.03056	0.5
165.01855	1.0
166.22232	0.4
167.03413	0.5
169.01328	0.7
171.04376	1.0
173.02367	0.8
174.03174	0.5
175.03896	0.6
177.01822	1.7
183.04414	0.7
185.02399	0.9
185.06015	0.5
187.02402	0.5
187.03865	2.3
188.04657	0.9
189.01843	1.8
190.02617	1.4
191.03453	2.4
193.01289	0.5
199.03836	0.7
199.07573	0.6
200.04616	0.6
201.01794	1.8
201.05460	1.5
202.02682	1.0
203.03403	1.7
211.03911	0.6
212.04742	0.5
213.01863	1.3
213.05429	1.1
214.02629	1.3
215.03401	1.8
216.04106	0.8
217.01370	1.5
225.05481	0.8
226.02602	0.9
227.03423	6.6
228.04123	1.3
229.04996	1.8
231.02925	1.7
238.06467	0.5
239.03468	0.9
240.04311	0.8
241.01323	0.9
241.04956	1.0
242.02171	1.1
243.02908	1.4
245.04462	0.5
251.03519	0.6
253.04973	1.3
255.02939	5.4
256.03683	0.7
257.04510	0.7
267.02911	0.8
267.06430	0.5
269.04605	1.4
270.05392	0.7
271.02417	3.7
272.03241	0.6
277.21701	5.2
279.02890	0.8
280.35367	0.5
281.04526	1.3
283.02478	0.8
284.03192	0.6
285.03876	0.8
295.02472	1.2
295.05984	0.9
296.03476	0.9
297.04028	1.1
299.01959	5.2
300.02719	4.3
309.04016	0.8
311.02084	1.0
311.05478	1.0
311.13043	0.6
313.03549	1.9
313.14481	1.9
323.01941	1.1
324.02643	5.2
325.03506	10.9
325.07330	0.6
326.04065	0.6
335.05615	0.9
337.03470	0.7
339.05157	1.1
339.12296	1.6
341.02954	1.2
341.13919	1.0
352.02380	0.7
353.02988	7.9
353.06845	0.8
354.03311	0.7
357.13004	0.5
365.13882	1.9
367.11777	0.8
383.14966	0.6
389.13821	0.7
407.14804	0.8
463.14014	0.8
464.14661	0.6
465.15518	0.5
475.13910	0.8
493.15112	1.0
655.20386	2.7
729.24597	0.6
825.45392	0.5
839.42249	1.0
852.42108	0.7
854.44879	0.5
855.44849	0.8
863.42096	0.8
864.43250	0.5
879.44537	0.7
881.43250	2.2
882.42950	0.5
909.29657	0.8
945.45789	0.8
977.44849	0.6
978.46906	1.6
989.45422	7.2
990.45624	1.2
1006.45624	5.2
1007.46387	12.3
1008.47015	1.8
1043.47729	1.4
1141.53430	0.6
1169.51685	100.0
1170.52087	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55582	0.8
59.01245	2.4
70.08662	1.8
70.09055	1.6
71.01251	4.7
71.04887	2.0
71.43365	0.8
72.01580	2.4
73.02818	80.4
73.42352	0.8
87.00728	1.5
99.00755	7.5
99.92465	14.2
110.19555	0.8
116.02444	2.3
116.07059	100.0
116.92740	31.5
117.01820	12.4
117.07406	3.9
120.35284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55692	0.2
55.01748	0.8
59.01245	1.0
65.01329	0.2
70.70287	0.5
71.01258	1.5
72.01588	0.3
73.02814	100.0
74.02336	0.3
74.46171	0.2
85.98317	0.2
87.00735	0.2
87.64645	0.2
89.01318	0.7
90.00844	0.4
91.64791	0.3
99.00751	8.8
99.92435	0.3
116.02448	0.8
116.07053	39.4
116.92749	1.1
117.01816	13.5
117.07411	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	3.9
59.01242	8.5
64.01781	3.7
65.01319	26.8
69.60368	8.7
69.60780	3.5
71.01244	3.7
71.04877	9.1
71.55035	1.6
72.04424	3.6
72.99149	1.6
73.02826	2.3
73.03938	100.0
73.88828	1.6
74.02342	34.3
74.04268	1.9
77.07114	1.4
78.59206	1.5
80.89407	1.5
89.01321	66.5
90.58038	1.7
97.92994	2.6
103.70534	1.5
114.93369	7.0
115.02901	18.1
115.03872	4.8
115.05032	3.1
115.05823	3.5
115.07529	37.0
116.02431	66.8
116.03242	3.7
116.07059	14.9
116.07805	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	1155.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95103	0.2
79.95601	7.8
80.96384	39.1
81.03323	0.3
83.01246	0.2
85.02818	1.4
87.00747	1.5
89.94681	0.1
91.03881	0.1
93.97182	0.1
94.97955	10.5
95.01258	0.3
96.95867	0.8
97.02828	1.2
98.20538	0.4
99.00758	0.3
99.04375	0.2
99.36776	0.1
99.74624	0.1
101.02311	1.8
106.97964	2.0
113.02305	0.3
122.97457	2.0
125.02335	2.3
127.03867	0.6
127.04707	0.1
134.97470	3.0
134.99635	0.1
136.99030	0.9
139.55934	0.1
143.03461	0.2
146.97467	0.3
148.99030	4.0
152.98526	3.9
157.57668	0.1
161.77031	0.1
164.98535	8.2
167.00079	0.3
180.82355	0.1
188.98582	0.2
206.97832	0.2
206.99612	2.0
225.00684	14.2
226.01019	0.2
238.84464	0.1
277.21689	1.7
299.04388	3.2
317.05356	0.2
437.53278	0.1
577.26819	100.0
578.27112	7.9
771.40558	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71292	0.6
59.01246	2.6
60.17847	0.7
60.78748	0.7
63.67985	0.7
69.63831	4.3
71.01249	100.0
72.01584	3.2
73.03952	1.5
87.00758	3.3
89.01344	1.0
89.94879	0.8
98.02338	0.8
115.00243	7.3
115.02962	0.9
116.07035	3.9
116.86329	0.7
121.02447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29846	1.2
56.27213	0.9
57.67119	1.0
57.95998	1.0
58.02840	3.9
59.01246	9.2
63.46265	1.2
64.01790	7.5
65.01317	37.4
69.03303	1.3
71.01250	7.1
71.04887	14.6
71.35142	1.3
71.57094	1.6
72.04411	3.0
73.03938	84.9
74.00235	1.5
74.02338	22.7
74.04278	1.8
77.41873	1.3
82.20405	1.0
87.00754	3.8
88.01773	1.6
89.01326	82.3
97.02841	2.5
97.93017	10.6
99.92469	1.8
109.26122	1.0
110.16314	1.1
114.93305	25.3
115.00258	1.9
115.02916	44.5
115.03864	7.0
115.05019	2.6
115.07531	100.0
115.91910	1.8
116.02433	92.0
116.03252	5.8
116.07061	7.3
116.07882	6.1
124.91479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
81.45232	0.3
83.01247	3.0
89.03802	0.5
96.95863	0.9
98.20731	0.6
101.02268	0.4
107.01265	6.2
108.02039	0.5
109.02805	0.4
110.19111	0.3
117.03288	0.5
121.02808	0.4
123.00771	0.4
123.04357	0.5
124.01529	1.3
125.02329	12.2
133.02782	0.6
137.02348	0.7
143.04951	0.4
145.02820	0.7
146.03635	0.4
147.04359	0.5
149.02335	1.5
151.00266	13.8
152.00891	0.4
155.04915	0.4
159.04364	1.0
161.02383	1.9
162.03157	0.5
163.03960	0.5
165.01775	0.7
167.03419	0.4
167.04939	0.6
169.01376	0.6
169.02827	0.5
171.04431	0.4
173.02341	0.8
173.05998	0.5
174.03090	1.0
175.03958	1.0
176.00970	0.3
177.01805	1.6
183.04401	1.0
185.02400	0.4
185.06033	0.9
187.03986	2.6
188.04684	1.3
189.01823	2.2
190.02609	1.4
191.03432	3.5
191.05000	0.5
193.01349	0.8
197.05977	0.5
198.03149	0.8
199.03947	1.3
200.04681	1.2
201.01794	1.4
201.05548	1.7
202.02673	0.6
203.03389	1.4
211.03952	0.9
213.01880	1.3
213.05516	0.8
214.02663	1.8
215.03384	2.5
216.04082	0.5
217.01357	1.6
223.03958	0.4
223.13548	0.4
224.04608	0.6
225.05502	1.4
226.02625	0.8
227.03459	6.0
227.07124	0.5
228.04184	0.8
229.01352	0.4
229.04953	1.8
230.02188	0.8
231.02948	1.3
237.05479	0.4
239.03427	1.1
240.04388	0.5
241.01408	0.9
241.05083	1.8
242.02190	1.6
243.02933	1.2
243.06645	0.5
243.57303	0.4
245.04556	0.4
251.03433	1.2
253.05096	1.3
255.02956	6.8
256.03552	1.1
257.04510	0.5
265.04980	0.7
267.02875	0.5
267.06662	0.8
269.04514	1.5
271.02380	2.8
272.03305	1.0
275.13028	0.5
277.21698	2.9
279.02960	0.5
279.06564	0.5
280.03745	0.8
281.04575	1.0
284.03159	0.6
285.04083	1.1
291.21289	0.4
293.04608	0.5
294.05304	0.5
295.02533	1.1
295.06055	1.0
296.03146	0.5
297.04001	1.9
299.01944	4.1
300.02640	3.6
307.02539	0.7
307.05948	0.4
309.04080	0.5
311.01913	1.5
311.05630	1.1
311.13184	0.5
313.03448	1.6
313.14352	2.4
321.03995	1.3
322.04837	0.5
323.01877	0.7
323.05472	0.6
324.02704	5.0
325.03543	11.0
325.07370	0.6
326.04004	0.7
335.05548	0.7
337.03723	0.5
337.14447	0.5
338.04184	0.4
339.05130	0.9
339.12332	1.4
340.02118	1.3
341.03003	1.0
341.13928	1.2
343.11890	0.4
352.02060	0.5
353.02985	9.1
353.06766	0.6
354.03220	0.7
357.13458	0.6
365.13965	1.2
367.04507	0.8
367.11792	1.0
383.14966	1.1
389.13815	0.7
397.16434	0.5
407.15250	0.5
419.15228	0.5
425.16159	0.4
431.14917	0.5
437.16156	0.5
447.14825	0.5
463.14151	0.5
464.14679	0.5
465.15680	0.5
475.14014	0.7
481.14438	0.4
492.14420	0.5
493.14841	1.8
561.45715	0.4
619.23596	0.7
625.19049	1.6
729.24152	0.5
825.45667	0.5
831.45813	0.4
839.41870	0.9
854.44690	0.6
855.44360	0.5
863.42609	0.8
879.29199	2.1
880.42896	0.8
881.42755	2.1
945.46460	0.5
977.45441	0.8
978.46344	1.1
989.45294	7.0
990.45935	0.7
1006.45642	8.4
1007.46442	26.0
1008.46454	2.4
1013.47797	0.5
1139.50623	100.0
1140.50671	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	1137.6557
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01246	0.9
85.02822	5.0
87.00731	1.4
89.02296	3.2
95.01231	1.6
96.95895	2.2
99.00753	4.4
101.02319	5.3
113.02334	5.9
119.03387	2.0
157.01317	1.4
161.04497	0.8
191.05556	0.7
218.00060	0.4
316.52750	0.5
320.12943	0.6
327.21710	2.0
471.35080	0.6
518.00446	0.5
550.88159	0.5
809.43268	100.0
810.43500	7.7
811.44672	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	1139.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01272	2.7
87.00771	0.6
89.03825	0.7
96.95947	0.5
107.01253	5.3
121.02867	0.6
124.01568	1.3
125.02324	11.6
133.02907	1.0
137.02318	0.7
147.04416	0.5
149.02345	1.1
151.00270	14.4
151.01501	0.8
155.04892	0.6
159.04420	1.6
161.02341	1.8
165.01787	0.7
169.01294	1.0
171.04391	0.9
173.02394	0.6
174.03044	0.6
175.03918	1.0
177.01833	1.7
183.04456	0.9
185.02335	1.0
185.06100	0.5
187.03902	1.6
188.04713	0.9
189.01883	1.7
190.02632	1.4
191.03384	3.8
199.03912	1.4
201.01819	1.6
201.05482	2.3
202.02739	0.8
203.03462	2.1
207.55479	0.6
211.03987	1.0
212.08484	0.5
213.01883	1.5
213.05597	1.0
214.02626	1.5
215.03322	2.3
217.01341	1.4
223.03915	0.6
224.04698	0.5
225.05493	1.2
226.02591	0.6
227.03456	6.3
228.04134	0.7
229.01495	0.7
229.04999	2.0
230.02097	0.7
231.02948	2.0
237.05559	0.5
239.03410	1.1
240.04308	0.5
241.01338	1.0
241.04881	1.2
242.02138	1.3
243.02811	1.9
245.04469	0.7
249.05656	0.6
251.03307	1.0
253.04852	0.9
255.02959	7.0
256.03583	0.8
257.04529	0.5
257.54868	0.6
265.05167	0.6
267.03287	0.7
267.06714	1.2
269.04544	1.6
271.02505	3.1
272.03223	1.0
277.21625	5.6
280.03793	0.5
281.04538	1.3
285.04105	0.9
291.12509	0.6
293.04672	0.5
294.05194	0.7
295.02554	1.2
295.05911	0.7
295.13196	0.7
296.03073	1.1
297.03967	1.4
299.01926	4.5
300.02740	3.7
307.02441	0.6
308.03293	0.6
311.01944	1.2
311.05444	1.0
313.03561	1.1
313.14389	1.9
319.13342	0.6
323.01944	0.7
324.02734	4.1
325.03519	12.4
325.07120	0.5
326.04028	0.6
327.12518	0.7
337.14511	0.7
339.05237	0.9
339.12366	1.8
340.02182	0.8
341.02869	0.6
341.13898	1.2
353.02951	7.7
353.06769	1.0
360.06058	0.5
365.14017	1.4
367.04520	0.7
367.11963	0.8
383.14816	1.1
385.13046	0.7
389.14050	0.7
407.14749	0.7
431.15338	0.5
447.14215	0.8
465.15390	1.1
475.13773	0.8
492.14264	1.0
493.14792	1.0
625.18964	2.3
679.40131	0.6
685.23871	0.5
729.23273	0.8
757.37958	0.6
787.44238	0.7
837.44849	0.7
839.43262	0.8
853.42877	0.6
854.44391	0.6
855.44830	0.9
863.41925	0.7
879.29510	1.3
880.43451	0.9
881.43011	3.2
945.44470	0.9
989.45435	10.8
990.45746	1.4
1006.45599	8.7
1007.46442	25.2
1008.46954	2.8
1013.47296	1.1
1139.50623	100.0
1140.50732	14.6
1140.76086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6391
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	28.9
89.69402	0.2
96.96834	2.4
134.27986	0.2
150.97900	0.5
152.99481	41.8
153.99814	0.6
171.00545	11.6
227.03224	2.2
235.14224	0.2
245.04272	54.3
246.04549	0.8
253.21683	23.5
254.22031	1.1
481.25684	100.0
482.26025	7.4
574.35242	0.2
594.58197	0.2
841.09576	0.2
994.14868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7122
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95587	0.2
81.03320	3.0
81.46397	0.1
83.01257	2.6
83.04890	7.0
84.05229	0.2
85.02819	1.5
87.00744	0.4
89.02312	2.5
95.01236	0.5
96.95266	0.2
96.95882	4.3
97.02811	0.2
98.95452	0.2
99.00761	0.2
101.02316	8.3
102.02651	0.3
109.02821	0.1
112.66815	0.1
113.02319	3.3
119.03391	1.3
125.02346	0.3
125.07076	0.5
126.05492	0.2
131.03386	0.9
134.03625	0.2
135.04431	0.6
143.03389	1.2
143.08121	0.4
147.61397	0.1
149.00789	0.3
149.04457	2.3
155.03316	0.2
161.03185	0.2
161.04451	3.1
179.05498	0.5
181.04895	0.1
203.05547	0.3
207.14948	0.6
219.66347	0.1
221.06609	1.1
224.17630	1.4
225.16017	9.2
226.16341	0.4
242.18675	0.6
248.47935	0.1
268.16370	0.1
274.22394	0.1
290.22400	0.1
291.20700	0.1
309.21826	0.5
324.26437	0.4
333.22833	0.5
339.27664	0.2
341.29138	0.7
351.24054	0.2
367.27127	1.0
371.20743	1.0
385.27988	0.5
404.33453	0.1
407.33435	0.2
413.21875	2.3
414.21976	0.3
417.15533	0.2
433.31842	1.1
450.34485	1.2
451.32855	7.6
452.33185	0.7
457.09427	0.2
468.35144	0.1
476.32529	0.2
535.38989	0.1
550.43365	1.1
551.43457	0.1
559.39594	0.4
565.44720	0.2
567.46655	0.2
593.44342	0.7
659.37714	0.1
659.48645	2.5
660.48718	0.4
677.49628	100.0
678.49945	14.1
679.50220	0.5
751.79285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39617	2.7
55.01746	10.8
57.03327	30.2
58.02847	15.3
59.01242	3.8
65.82163	3.0
68.99429	32.7
69.03322	14.8
69.63995	21.9
71.01252	10.3
71.02369	37.5
72.00773	29.5
72.99162	6.9
80.03270	3.6
83.01241	4.3
83.02376	5.2
84.02042	15.0
85.02817	92.8
86.02345	14.9
86.03157	4.4
96.00794	20.8
113.02321	49.3
113.03454	13.1
113.05963	100.0
114.00887	8.9
114.01845	22.6
114.05474	21.2
114.06229	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	1097.6788
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	5.7
80.71638	0.1
83.04887	0.1
93.46394	0.1
96.96839	0.1
123.59747	0.1
152.99490	1.6
157.35956	0.1
168.04224	1.4
197.50052	0.1
224.06888	1.0
242.07962	2.7
261.22293	0.3
279.23282	100.0
280.23618	5.2
336.84091	0.1
459.25330	0.1
504.30963	81.8
505.31314	5.4
505.38889	0.2
519.27411	0.7
521.77759	0.1
578.34607	3.5
579.35291	0.2
750.13330	0.1
960.78198	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.7501
Annotation	Unknow
Peak:m/z	Relative Intensity
77.52113	0.1
78.95806	0.1
83.01243	0.4
83.03861	0.1
84.02026	0.3
85.02821	12.8
86.03161	0.2
87.00739	1.1
95.01250	1.2
99.00745	1.2
111.00758	0.1
112.01553	0.4
113.02328	10.3
114.02587	0.2
115.00248	0.6
116.01045	1.3
117.01837	0.4
126.76444	0.1
129.01825	0.4
157.01302	1.5
175.02396	0.8
191.05464	0.1
375.65128	0.1
391.30283	0.3
437.34283	0.6
457.36813	0.4
501.35773	0.2
615.39050	0.3
633.40033	100.0
634.40399	10.0
634.51111	0.3
738.54303	0.2
771.42676	0.2
854.16205	0.2
1060.59351	0.2
1158.32556	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6778
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	17.4
80.96384	0.2
96.96860	0.2
98.19831	0.1
110.34016	0.1
122.98420	0.3
134.98393	0.2
152.99475	2.8
168.04214	2.8
180.27094	0.1
194.05885	0.1
208.41428	0.1
224.06874	8.5
225.00752	0.1
225.07115	0.1
242.07919	2.1
261.22183	0.4
279.23264	90.9
280.23599	5.0
379.26852	0.1
415.22571	0.1
504.30939	100.0
505.31244	7.3
519.27551	0.7
578.34589	3.4
579.27881	1.0
579.36157	0.1
581.78833	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	7.3
96.95863	0.5
131.35458	0.4
152.99481	2.0
154.45724	0.4
168.04218	1.7
178.21144	0.4
186.30548	0.3
199.73952	0.4
224.06828	1.3
233.22707	0.8
242.08015	3.0
259.20572	0.7
277.21701	100.0
278.22052	4.4
502.29376	98.4
503.29526	5.1
517.25751	0.7
576.33124	4.1
735.66217	0.5
821.65546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
80.90916	0.2
83.01254	1.0
85.02823	3.9
87.00748	0.8
89.02317	3.9
95.01247	1.7
96.95902	1.6
97.02842	0.5
99.00758	9.2
101.02325	5.4
111.00769	0.3
112.01571	0.4
113.02332	4.5
115.00222	0.4
119.03408	1.2
120.31168	0.2
125.02316	0.4
126.48437	0.3
129.01796	0.3
131.03432	0.4
133.89346	0.2
139.00264	0.5
157.01357	0.6
161.04379	0.3
167.61313	0.3
191.05536	0.2
269.04605	0.5
356.85529	0.2
407.33240	0.5
423.32727	0.5
437.33990	1.0
453.33737	2.3
455.35266	8.0
456.35577	0.6
481.36990	0.3
497.36240	1.4
523.37976	2.8
524.38348	0.4
537.35950	1.3
551.37311	1.2
569.38519	7.2
570.38855	0.7
587.39520	2.6
604.50671	0.2
613.37445	9.0
614.37738	0.9
631.38831	0.6
659.41718	0.8
731.43518	1.5
793.43506	4.1
794.44031	0.9
955.49054	0.5
956.49005	0.3
1087.53271	100.0
1088.53650	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	1087.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
80.90916	0.2
83.01254	1.0
85.02823	3.9
87.00748	0.8
89.02317	3.9
95.01247	1.7
96.95902	1.6
97.02842	0.5
99.00758	9.2
101.02325	5.4
111.00769	0.3
112.01571	0.4
113.02332	4.5
115.00222	0.4
119.03408	1.2
120.31168	0.2
125.02316	0.4
126.48437	0.3
129.01796	0.3
131.03432	0.4
133.89346	0.2
139.00264	0.5
157.01357	0.6
161.04379	0.3
167.61313	0.3
191.05536	0.2
269.04605	0.5
356.85529	0.2
407.33240	0.5
423.32727	0.5
437.33990	1.0
453.33737	2.3
455.35266	8.0
456.35577	0.6
481.36990	0.3
497.36240	1.4
523.37976	2.8
524.38348	0.4
537.35950	1.3
551.37311	1.2
569.38519	7.2
570.38855	0.7
587.39520	2.6
604.50671	0.2
613.37445	9.0
614.37738	0.9
631.38831	0.6
659.41718	0.8
731.43518	1.5
793.43506	4.1
794.44031	0.9
955.49054	0.5
956.49005	0.3
1087.53271	100.0
1088.53650	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	1083.392
Annotation	Unknow
Peak:m/z	Relative Intensity
75.53074	0.7
76.23032	0.7
81.03342	0.7
83.01256	5.2
84.13212	0.6
85.02821	16.7
87.00737	2.4
89.02316	17.5
93.03333	2.5
95.01273	3.1
96.95838	0.8
97.02830	1.7
99.00764	2.9
101.02316	27.7
106.04121	8.3
107.04908	13.6
108.02029	3.9
111.00771	1.2
113.02329	20.6
113.39619	0.7
119.03410	9.3
119.04900	3.7
121.02840	2.6
123.04411	5.1
123.08073	0.9
125.02349	2.5
128.81981	0.6
131.03397	1.5
131.04919	2.1
133.02843	26.5
138.03133	1.1
143.03401	5.6
143.04974	1.3
145.02834	1.2
145.06468	1.4
147.04410	8.2
149.04466	1.3
149.05945	0.9
151.03909	43.6
152.04312	1.3
153.09149	1.2
159.02916	1.6
161.04456	12.5
161.05966	5.2
163.03912	0.8
165.05481	29.8
173.05962	1.3
175.03917	100.0
176.04271	2.3
179.05518	26.0
181.12181	2.1
189.12744	2.6
193.04976	44.3
194.05328	1.2
203.05602	1.4
205.04962	12.4
205.12248	1.4
207.13788	4.6
217.05022	7.9
223.06064	33.7
224.06367	0.9
225.14989	0.8
235.06050	5.7
253.07137	63.6
254.07397	1.6
277.07135	1.4
295.08173	7.0
305.96890	0.7
313.09271	47.3
314.09689	2.3
331.10345	5.7
351.18176	2.9
369.19131	17.5
370.19693	0.9
387.20230	44.7
388.20596	2.0
393.35120	0.8
411.10873	2.8
429.21295	60.0
430.21646	3.1
465.13892	6.2
598.63458	0.9
609.14386	1.7
751.96472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1072.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	41.5
79.70554	0.3
85.09525	0.3
91.78673	0.3
96.95900	0.7
96.96838	7.2
110.83970	0.3
119.51389	0.4
150.97913	0.5
152.99483	51.8
153.73512	0.3
171.00557	3.2
221.20352	0.3
223.00061	6.6
241.01138	13.4
241.03578	0.7
259.02298	0.8
278.90543	0.4
279.23267	39.6
280.23547	2.7
315.04858	5.6
322.77771	0.4
333.05872	0.4
476.27829	4.0
595.28845	100.0
596.29340	7.3
781.92798	0.4
809.37915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00758	3.1
83.01256	0.9
85.02821	3.4
87.00733	1.2
89.02338	2.9
95.01270	1.6
96.95901	1.6
99.00761	5.2
101.02326	4.1
113.02335	4.2
117.03320	0.8
119.03426	0.6
140.39493	0.4
144.63602	0.4
151.00299	0.8
157.01294	0.9
177.01884	0.6
179.03337	0.4
192.04167	0.5
195.06612	0.6
207.06563	1.0
269.04584	5.4
270.04916	0.9
400.53256	0.5
439.07935	0.5
453.33398	0.7
469.33224	2.8
471.34973	3.7
513.35925	1.0
539.37476	1.7
553.35614	1.1
567.37000	0.6
585.37537	3.2
586.37860	0.5
603.38916	1.3
629.36987	7.0
630.37158	0.6
685.93201	0.5
688.44061	0.5
717.75165	0.4
747.42950	2.0
809.43329	100.0
810.43726	15.6
810.55847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	0.9
81.03336	2.3
83.04913	1.4
85.02822	6.2
87.00751	11.4
93.03339	67.2
94.03669	1.4
95.04940	0.8
99.00749	1.2
99.04401	1.1
105.03340	2.3
108.02048	2.1
109.02820	3.4
111.00773	1.1
111.04409	6.8
113.02387	0.8
121.02819	1.1
123.04435	0.8
124.01557	3.3
125.02355	1.1
127.03927	1.5
129.01808	1.3
132.02069	2.1
133.02855	20.3
134.03656	6.2
135.04419	55.9
136.04813	1.5
137.02351	3.2
139.03824	1.1
150.03149	2.1
151.03934	5.6
155.03401	1.3
160.01573	2.5
161.02361	3.5
167.49901	0.7
173.04472	12.8
177.01855	5.6
178.02620	3.8
179.03418	11.6
180.29666	0.7
191.05542	45.3
211.13361	1.0
215.05592	4.2
217.60754	0.8
277.21759	1.3
279.23206	2.2
307.08337	0.9
308.09024	1.9
309.15021	0.7
325.14597	0.8
327.16086	1.1
329.31848	0.7
348.84949	0.7
349.06662	0.7
351.07288	7.2
352.07959	1.8
543.96765	0.8
639.88562	0.7
841.47101	1.1
846.16931	0.9
867.45306	16.5
868.45734	2.0
885.45978	1.5
975.48633	0.8
1041.50171	1.3
1059.51758	100.0
1060.52295	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	1067.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95605	7.4
83.98520	0.1
85.02832	0.2
85.04543	0.1
96.95885	100.0
97.95841	0.2
99.00763	0.3
112.98664	0.1
113.02292	0.1
121.02838	0.1
134.80630	0.1
150.03041	0.2
156.04970	0.1
165.05370	0.1
168.98071	0.2
182.83861	0.1
206.22661	0.1
245.74992	0.1
293.66116	0.1
650.19849	0.1
969.46948	2.0
970.47717	0.4
1007.41742	1.6
1008.42474	0.4
1067.42725	1.0
1068.44568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
78.12325	0.2
83.01262	0.3
85.02818	3.8
89.02319	1.1
95.01247	1.2
96.95869	0.2
98.20551	0.3
101.02314	0.6
102.36757	0.2
105.03365	0.4
107.01230	0.9
109.02827	0.2
113.02325	7.8
117.03340	0.5
119.03379	0.4
121.02794	0.2
123.04432	1.3
125.02287	0.2
132.02061	2.5
133.02841	26.8
134.03522	0.7
134.04552	0.2
135.04407	12.3
136.04759	0.5
142.44246	0.2
149.02335	0.4
151.00284	1.4
151.03906	0.2
153.05495	0.8
161.02341	75.3
162.02678	2.3
169.01395	0.2
171.04445	0.2
175.03893	0.8
179.03401	3.7
180.03806	0.5
199.03893	0.8
203.03448	0.2
211.03999	0.4
217.05022	0.5
227.03500	0.2
241.05008	0.2
255.02968	0.4
256.03732	1.4
257.04205	0.2
263.29257	0.2
283.02493	0.4
284.00031	0.5
284.03241	20.4
285.04004	38.4
286.04364	3.4
286.07452	0.4
287.04568	0.4
297.03958	0.2
297.09814	0.4
315.10736	1.2
327.04898	0.6
350.77713	0.2
447.09262	24.0
448.09637	3.5
449.09869	1.0
461.16599	4.4
519.32050	0.2
621.18408	0.4
622.18579	0.7
623.19739	100.0
624.20050	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	1053.46
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00741	0.1
78.95780	0.2
79.95610	7.3
83.86454	0.1
95.97485	0.1
96.95892	100.0
97.95807	0.2
98.19829	0.1
99.00742	0.1
101.02328	0.1
191.05479	0.1
236.88805	0.1
455.35153	0.1
519.60553	0.1
523.37561	0.1
532.94818	0.1
569.38739	0.1
614.74323	0.1
628.82849	0.1
666.47968	0.1
793.43658	0.1
831.38727	0.4
891.41461	0.2
955.49188	1.9
956.50146	0.4
1053.47302	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02815	0.1
75.00748	0.1
78.95782	0.1
79.95609	7.3
83.01270	0.0
85.02814	0.3
87.00738	0.2
89.02347	0.1
95.97474	0.1
96.95893	100.0
97.95837	0.2
99.00763	0.2
101.02334	0.1
103.03945	0.1
104.63387	0.1
113.02322	0.2
131.03340	0.1
143.03459	0.1
191.05624	0.1
198.44637	0.0
205.07164	0.1
224.97232	0.1
336.99377	0.0
715.42053	0.0
787.81494	0.1
957.50647	1.9
958.51184	0.3
995.45898	0.2
1055.47937	0.9
1056.47925	0.1
1076.06018	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.6
83.04906	0.2
85.02822	0.7
89.02312	0.6
96.95906	0.2
97.06467	0.3
99.04408	0.9
101.02304	0.7
109.06469	0.4
111.08117	0.2
113.02320	0.6
118.21442	0.1
119.03410	0.2
119.13708	0.2
121.06491	0.2
149.09587	0.2
161.04401	0.2
163.86147	0.1
165.12712	0.8
167.10641	0.4
172.35872	0.1
179.05551	0.2
187.51454	0.2
189.12721	0.3
191.05469	0.3
207.13829	3.1
209.11775	4.9
225.14926	5.2
225.17102	0.3
227.12839	31.5
228.13147	0.8
233.11789	0.2
251.12852	1.9
269.13934	8.9
287.14993	100.0
288.15350	3.4
293.13992	0.4
311.14917	0.4
316.25815	0.2
329.15985	1.4
346.90533	0.2
359.17114	0.2
363.63602	0.2
389.18192	1.1
431.19464	0.4
449.20267	43.3
450.20566	1.8
576.44861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
72.94827	0.1
72.99160	0.2
73.02834	0.1
75.00764	0.2
75.32346	0.1
78.95768	0.1
79.95610	7.5
85.02813	0.5
85.79490	0.1
87.00750	0.2
89.02341	0.2
95.01292	0.1
96.95894	100.0
97.95818	0.2
99.00738	0.3
101.02328	0.2
103.72553	0.1
103.99768	0.1
112.01556	0.1
113.02364	0.2
131.03394	0.2
133.91151	0.1
163.05946	0.1
168.98244	0.1
205.07170	0.1
218.02420	0.1
361.83890	0.1
395.21927	0.1
443.19656	0.1
709.30591	0.1
772.03247	0.1
774.80371	0.1
833.66681	0.1
845.36890	0.1
883.53229	0.1
953.47528	2.7
954.47345	0.6
991.42645	1.5
992.43243	0.2
1051.44458	1.0
1052.45874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6793
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	16.0
79.95600	0.3
80.96398	1.9
85.02842	0.1
87.00743	0.1
89.47562	0.1
94.97990	0.5
96.96848	0.3
106.97984	0.1
122.97542	0.1
122.98423	0.3
134.97467	0.1
134.98401	0.1
148.99126	0.1
152.98337	0.2
152.99509	2.8
164.98521	0.5
168.04242	2.9
183.50278	0.1
216.24992	0.1
224.06889	8.5
225.00700	0.9
225.07065	0.2
237.22174	0.2
242.07980	1.7
255.23277	100.0
256.23621	6.0
256.26349	0.2
284.56104	0.1
299.04483	0.2
384.27957	0.1
409.23685	0.2
435.25101	0.1
480.30945	98.4
481.31274	6.7
495.27426	0.7
554.26141	0.2
554.34650	4.1
555.28363	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	1039.621
Annotation	Unknow
Peak:m/z	Relative Intensity
79.22923	0.2
86.71519	0.2
101.05949	1.2
113.97664	0.2
145.27832	0.2
225.61436	0.2
233.22685	0.4
259.20721	0.4
275.20181	0.4
277.21707	100.0
278.19040	0.2
278.22083	4.5
352.37891	0.2
509.22134	0.3
593.28644	0.4
769.00995	0.2
977.90002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05396	0.2
93.03337	2.3
96.95860	0.2
110.12090	0.2
117.03342	10.6
118.03669	0.2
119.04909	78.7
120.05233	1.5
120.72291	0.2
121.02843	0.2
131.04926	0.3
132.05693	0.3
145.02846	54.1
146.03223	1.3
147.04442	0.2
157.06589	0.3
159.06841	0.2
159.08047	2.4
201.07755	0.3
202.08606	0.9
214.67767	0.2
217.12338	0.4
261.11386	0.4
271.14526	0.2
285.16003	0.4
288.17206	0.2
313.19180	1.5
330.21854	0.3
342.14600	0.3
353.18661	2.9
356.19739	3.9
373.22308	0.8
396.19312	0.9
399.20328	11.6
400.20612	0.7
458.24258	0.3
459.22879	3.2
460.23038	0.4
502.23428	6.8
503.23685	0.6
519.26215	1.4
545.24017	15.1
546.24402	1.4
604.06891	0.2
639.31812	3.5
665.29736	28.8
666.30121	2.4
676.83704	0.2
785.35480	100.0
786.35779	10.5
786.50525	0.4
817.85529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	11.6
73.02816	3.2
75.00752	5.4
80.91591	0.6
83.01263	3.2
84.02048	0.6
85.02825	13.6
85.99952	1.1
87.00755	6.2
87.04382	0.8
89.02313	5.1
95.01249	2.7
96.95897	1.7
97.02845	1.2
99.00766	8.4
101.02333	6.8
103.03871	1.3
111.00745	1.7
112.01567	4.8
112.98433	0.7
113.02338	9.9
115.00217	0.7
115.03896	0.7
116.88335	0.7
119.03432	0.7
127.00274	1.0
129.01819	0.8
131.03436	3.6
133.01315	2.3
134.17934	0.5
135.00569	0.8
139.00244	1.0
141.01570	1.0
143.03427	3.9
150.72585	0.6
153.01587	2.9
154.99535	7.7
157.01141	1.8
159.02907	1.7
161.04506	1.3
163.05971	1.3
166.99532	1.9
178.99561	1.4
180.36304	0.5
181.01144	1.1
195.02927	0.5
197.00581	6.9
205.07092	1.6
207.02705	1.1
207.10312	0.7
239.01587	0.8
240.99417	1.0
246.76546	0.7
271.04166	0.7
297.05920	0.7
335.92691	0.7
446.15457	0.6
463.49741	0.6
509.31750	0.8
635.53595	0.6
649.33289	4.2
667.34631	1.0
693.32538	2.2
829.39752	12.1
830.40552	1.6
953.47504	27.1
954.47693	4.0
975.45612	100.0
976.45862	13.4
976.64417	1.1
1019.44989	5.2
1020.43713	0.9
1035.47876	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	1039.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84879	0.0
72.99191	0.1
73.02793	0.1
75.00751	0.1
78.95779	0.1
79.95609	7.2
83.01254	0.1
85.02818	0.4
86.14805	0.0
87.00751	0.2
89.02321	0.2
89.55143	0.0
95.01228	0.1
96.95891	100.0
97.95832	0.2
99.00761	0.2
101.02327	0.2
103.03871	0.0
112.01554	0.1
113.02341	0.2
131.03407	0.1
133.01337	0.0
143.03404	0.1
168.98152	0.1
191.05516	0.0
194.96465	0.0
205.07204	0.0
330.43900	0.0
376.16858	0.0
542.38654	0.0
941.51117	2.0
942.51178	0.3
979.46399	0.8
980.46155	0.1
1023.46826	0.1
1039.48315	0.7
1040.48718	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.6
73.61169	0.2
83.04872	0.3
90.97036	0.4
93.03339	0.2
95.04892	0.7
96.95892	1.1
109.06536	0.2
125.76884	0.2
135.04369	0.3
139.11153	0.5
140.98503	0.3
143.00183	0.3
157.01747	0.8
158.99663	0.4
163.00746	0.3
165.12805	0.4
167.14299	0.4
169.01747	0.3
171.10164	0.7
173.01251	0.6
177.02296	0.2
182.99611	0.4
183.13908	1.0
185.01254	0.4
191.05479	0.2
193.12123	0.2
197.01216	0.3
199.02776	0.5
203.03810	0.3
209.01279	0.4
211.02846	0.6
211.13312	2.3
219.07086	0.4
223.02757	0.2
225.04436	0.4
227.05965	1.2
229.14409	0.6
235.02911	0.5
235.06453	0.6
237.04367	0.7
237.08034	0.9
239.05904	0.4
239.09674	0.4
243.03212	0.2
245.04889	1.0
247.06375	0.4
249.08208	0.3
251.06071	0.4
253.07532	0.9
255.09137	0.5
261.04477	0.4
263.06070	2.3
265.07556	24.0
266.07907	0.8
267.09116	46.9
268.09479	1.9
277.03851	0.5
279.05478	1.5
279.08270	0.2
281.07031	1.2
283.08624	0.4
285.10126	0.7
293.10651	0.4
295.08997	0.3
297.06625	0.6
309.06464	0.5
311.08109	7.0
312.08768	0.4
321.10187	0.9
329.23260	0.7
347.15341	0.5
349.16925	2.7
365.16467	1.7
367.18042	2.3
368.18451	0.2
375.18573	0.3
391.17776	0.3
417.18832	0.3
417.23676	0.3
421.18967	3.3
431.21201	0.4
433.22794	1.3
439.20139	0.6
443.20874	0.4
449.22021	1.1
461.22186	16.8
462.22656	1.6
479.23227	2.3
480.24106	0.3
497.24710	0.3
543.30090	0.3
561.31165	0.5
579.32379	1.0
597.33240	0.7
697.42029	100.0
698.42377	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	1023.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	23.1
71.13906	1.1
72.01611	0.6
72.99184	10.4
73.02815	3.3
75.00753	5.6
77.37707	0.4
80.91542	1.5
83.01286	2.9
85.02822	11.6
85.99961	0.7
87.00755	5.8
87.04389	1.4
89.02322	4.8
91.08270	0.4
93.03361	0.4
94.20493	0.4
95.01270	2.8
96.95878	1.1
97.02809	1.2
97.28677	0.4
97.50134	0.4
99.00764	7.9
101.02323	7.1
103.03870	1.3
111.00723	1.8
112.01544	5.5
112.73744	0.4
112.98477	0.7
113.02339	11.1
115.00197	0.9
115.03887	1.3
119.03355	0.7
125.02354	1.1
127.00256	0.6
131.03404	3.0
133.01321	3.4
135.00546	0.6
139.00146	0.8
141.01622	0.9
143.03400	4.1
145.04982	0.5
151.00041	0.8
153.00465	0.7
153.01584	2.5
154.99524	6.9
155.00688	0.8
157.01160	1.7
159.02899	1.0
161.04443	1.0
163.06007	1.3
166.99480	2.0
169.01076	0.8
177.01659	0.5
178.99519	1.2
181.01096	1.2
185.74168	0.5
197.00615	8.2
205.07097	2.1
215.01677	0.7
227.05258	1.0
240.99574	0.9
316.30862	0.5
359.06061	0.6
411.85156	0.5
457.36505	0.6
478.42154	0.4
497.35312	0.5
583.72235	0.5
633.40143	0.7
637.36896	6.7
638.37384	1.1
655.38184	1.2
681.36328	3.3
699.36963	0.7
817.43530	12.8
818.44110	1.7
861.41864	0.7
941.51160	28.7
942.51526	4.5
963.49274	100.0
964.49487	20.0
1007.47974	6.1
1008.48596	0.8
1023.51617	2.2
1024.51404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95609	3.4
96.95892	100.0
97.95819	0.2
97.96275	0.0
98.95516	0.0
166.00844	0.0
235.56354	0.0
267.38226	0.0
283.53665	0.0
331.26123	0.0
339.05408	3.7
340.05878	0.2
730.74359	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	1019.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	14.4
72.99176	1.7
73.02817	3.8
73.56927	0.3
75.00744	2.9
82.95839	0.2
83.01244	2.3
83.20029	0.3
85.02821	11.1
85.99969	1.0
87.00743	5.6
87.04374	1.0
89.02314	4.3
95.01270	2.9
96.32275	0.3
96.95879	1.0
97.02831	3.0
98.20588	0.3
99.00750	11.4
99.04401	0.3
101.02313	5.3
103.03906	1.4
104.22768	0.3
111.00776	0.3
112.01514	0.6
113.02332	8.8
115.00279	0.4
115.03901	1.4
119.03368	1.0
121.02824	0.3
125.02300	0.3
127.03894	0.3
131.03387	2.8
139.00285	0.8
140.73973	0.3
143.03395	3.4
145.04939	0.5
155.33334	0.2
157.01352	1.1
161.04439	0.9
163.06042	0.9
205.07124	2.5
269.00861	0.5
269.04721	0.2
363.26666	0.4
407.29474	1.0
428.29886	0.2
437.30618	0.8
453.30222	0.4
455.31668	2.0
499.30496	0.3
537.32233	1.4
569.34369	0.6
613.33887	3.7
614.34058	0.7
626.59052	0.3
657.33221	0.8
956.49121	0.3
983.44873	100.0
984.45258	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	1017.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89716	0.5
70.90066	0.2
71.01254	0.2
72.99198	0.3
77.03835	2.0
87.00748	4.7
89.03852	1.1
93.03352	0.9
95.04900	4.5
98.20522	0.3
101.02333	0.4
105.03339	15.2
106.04175	0.7
109.02842	0.9
111.00759	0.7
112.98694	1.0
121.02822	1.8
123.04394	2.2
130.99750	0.5
132.02071	0.8
133.02847	100.0
134.03659	17.4
135.04422	4.7
137.02338	10.4
139.03900	3.9
143.01993	0.3
147.04413	0.5
149.00876	0.5
149.02318	0.9
150.03143	1.3
151.03990	0.6
159.04425	0.3
161.02394	0.4
175.03877	0.4
177.01849	85.1
178.02620	27.7
179.03412	10.0
183.13884	0.4
184.09500	0.3
187.03844	0.7
188.04721	0.4
202.06332	0.4
207.53963	0.3
211.13322	6.8
219.02924	1.2
253.09297	0.2
268.98529	0.2
277.21722	5.6
283.13376	0.6
299.16483	0.6
301.14429	0.3
309.14899	1.6
311.49835	0.3
322.16647	0.3
327.16022	4.5
345.16986	0.5
429.21246	0.3
447.22314	0.8
513.30469	0.4
563.24908	0.6
581.26074	1.7
707.44006	2.8
708.44324	0.3
745.01825	0.2
776.10205	0.3
823.46521	2.1
824.47662	0.4
841.30768	0.5
841.47351	13.9
842.47699	2.5
885.46417	23.8
886.46527	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	1017.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01217	0.3
72.99204	0.3
73.73331	0.3
77.03842	2.3
77.64912	0.3
87.00745	4.4
89.03833	1.0
93.03350	0.9
95.04897	4.0
101.02285	0.3
105.03335	16.2
106.04134	0.8
109.02818	1.3
111.00751	0.5
112.98682	1.2
121.02852	2.0
123.04388	2.2
124.24205	0.3
130.99773	0.5
132.02071	0.9
133.02844	100.0
134.03654	16.2
135.04430	5.3
137.02336	10.3
139.03903	3.4
149.00807	0.8
149.02333	0.7
150.03136	1.0
151.03870	0.7
159.04417	0.7
161.02411	0.3
165.01950	0.3
172.05180	0.3
175.03990	0.3
177.01843	79.8
178.02615	27.2
179.03407	8.9
187.03775	0.5
202.06264	0.4
211.13329	5.5
219.02901	1.0
235.08034	0.3
253.09390	0.5
271.13702	0.2
277.21707	6.5
278.22125	0.4
283.13391	0.7
299.16489	0.4
301.14505	0.4
309.14944	1.6
327.15961	5.2
345.16943	0.6
429.21481	0.3
447.22437	0.6
513.30511	0.7
563.24969	0.6
581.25629	1.4
688.28809	0.3
707.43756	2.9
708.43378	0.3
823.46417	1.6
841.47412	14.5
842.47931	1.8
867.46826	0.3
885.46405	22.9
886.46552	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	1015.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	1.1
73.02816	1.6
81.48833	0.2
81.52226	0.2
83.01249	0.4
84.42374	0.2
85.02825	0.6
85.06473	0.1
87.65356	0.2
89.02324	0.6
95.04893	0.5
96.95891	0.6
101.02332	0.7
107.04901	0.4
111.29340	0.2
113.02325	0.6
123.04394	0.5
129.05460	0.3
129.21466	0.2
137.09671	0.2
139.11188	15.1
140.11499	0.5
141.66229	0.1
151.03914	0.4
161.04434	0.3
163.11229	0.9
165.09117	0.7
167.03427	0.3
179.05511	0.5
181.12260	10.1
182.12567	0.4
183.10188	19.9
184.10457	0.4
197.09756	0.8
197.11581	0.3
199.13335	6.9
200.13657	0.3
205.12268	0.3
217.05101	0.2
224.72862	0.2
225.11261	6.3
226.11563	0.4
239.12971	0.2
239.28645	0.2
243.12341	100.0
244.12669	3.7
249.11275	0.6
267.12411	0.3
269.04550	0.6
269.88751	0.2
285.04117	0.3
285.13412	1.5
291.07266	0.2
345.15536	0.3
361.14700	0.2
405.17639	42.2
406.17902	2.7
470.71692	0.2
482.22699	0.2
548.30688	0.2
849.06714	0.2
860.15240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	12.0
72.99181	1.9
73.02814	3.4
73.03197	0.4
75.00739	5.4
80.02615	0.2
81.03333	0.3
83.01261	2.0
84.02062	0.2
85.02819	11.0
85.99957	0.9
87.00744	5.0
87.04384	1.0
89.02307	3.5
93.03381	0.3
95.01257	2.8
96.95877	2.8
97.02839	0.3
99.00752	8.7
99.04401	0.3
101.02319	5.3
103.03893	1.6
111.00808	0.3
112.01557	0.7
113.02325	7.3
115.03894	1.4
119.03379	0.9
125.02306	0.5
131.03377	2.8
139.00262	1.0
143.03384	3.9
145.04927	0.5
151.03957	0.4
157.01321	0.9
161.04514	0.4
163.06036	1.2
179.03331	0.3
189.68640	0.2
191.05629	0.2
205.07118	2.6
340.55841	0.2
356.91348	0.2
437.30829	0.3
439.32056	2.0
469.33200	1.1
485.32770	1.1
487.34171	3.8
488.34717	0.3
529.35565	0.5
569.34985	1.0
583.36060	0.5
601.37396	4.1
602.37653	0.4
619.38269	0.7
645.36389	4.9
646.36664	0.4
763.42865	1.1
909.47839	0.7
953.47394	0.5
971.48474	100.0
972.48767	13.8
1007.45544	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	1005.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	2.5
71.04888	0.2
73.02807	0.4
83.01263	0.3
85.02802	0.6
87.00751	0.4
89.02312	2.5
95.01241	0.2
97.02820	0.5
99.00753	0.2
101.02316	2.2
105.68843	0.2
111.04375	0.1
113.02317	1.3
117.06985	0.3
119.03381	0.9
125.02325	1.1
131.03371	0.2
143.03345	0.4
161.04414	0.6
168.59491	0.1
173.09639	0.2
179.05505	0.9
213.22220	0.2
221.13258	0.3
227.14348	0.7
235.08197	1.6
237.16397	0.4
244.19826	0.2
251.14279	0.8
253.09473	0.3
253.15950	1.7
255.17520	8.4
256.17841	0.4
263.07767	0.2
267.13864	0.2
269.15363	0.4
277.21713	7.1
278.22076	0.6
283.13336	0.7
285.18567	2.1
287.07724	0.5
287.16525	0.2
299.16501	92.7
300.16840	5.4
305.08719	0.7
323.09857	0.2
329.17554	100.0
330.17892	6.1
397.13458	15.0
398.13925	0.8
415.14551	4.8
433.77573	0.2
461.72403	0.1
675.35699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78188	1.1
71.00888	1.1
71.01251	13.5
72.99171	2.3
73.02827	3.6
75.00750	4.8
83.01240	2.2
85.02825	11.1
85.99981	0.7
87.00745	4.1
87.04390	1.2
89.02316	4.6
89.02794	0.7
95.01259	2.8
96.95877	2.3
99.00752	6.7
101.02310	6.5
103.03876	1.8
113.02328	8.1
115.03892	1.6
119.03371	1.5
131.03394	3.4
131.82442	0.5
139.00241	0.9
141.01962	0.5
143.03383	4.6
155.89323	0.6
157.01292	0.8
161.04420	1.3
163.06049	1.4
205.07115	3.0
490.68900	0.6
615.39514	0.6
941.51105	100.0
942.51324	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	1005.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57570	0.1
79.95609	2.7
96.95891	100.0
97.95836	0.3
98.95437	0.2
98.96337	0.1
339.05396	2.7
340.05704	0.1
531.45044	0.1
945.09924	0.1
986.35229	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	0.3
71.07379	2.4
71.59674	0.3
76.24729	0.2
86.09704	25.4
95.08615	0.2
98.98469	1.9
104.10741	3.4
125.00002	17.0
142.72816	0.2
143.01059	0.3
150.67007	0.2
165.11606	0.2
169.09842	0.2
184.07336	100.0
184.55745	0.2
185.07678	0.2
233.93405	0.2
238.02415	0.2
323.53867	0.2
333.22476	0.2
502.33069	2.1
520.34009	19.4
521.33704	0.3
634.66595	0.2
681.82623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	1.4
71.07362	4.9
71.11674	0.5
71.60708	0.8
81.07037	2.3
83.08636	0.6
86.09703	46.1
93.07027	0.7
95.08616	2.0
98.98466	2.9
104.10740	96.9
109.10090	0.7
121.10129	0.7
124.99999	24.9
184.07335	100.0
214.28424	0.5
246.17406	0.7
247.30830	0.6
258.11093	1.0
262.82181	0.5
337.27435	1.1
396.88693	0.5
502.32956	9.9
520.33984	96.8
521.34143	1.2
639.32507	0.5
929.26978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.4
69.07076	0.6
71.01369	0.4
71.05004	0.4
71.61330	0.5
73.02914	2.4
79.05480	2.0
81.03435	1.3
81.07064	2.0
85.02904	4.0
91.03955	2.2
91.05489	1.2
93.07027	1.7
95.05025	0.4
95.08625	1.3
97.02899	4.1
99.04483	0.7
101.02404	1.1
105.07056	0.9
107.08624	1.1
109.02914	0.5
109.10152	0.5
119.08652	0.8
121.10162	0.6
127.03954	0.9
133.10175	0.6
135.11694	0.4
167.74342	0.3
185.04341	0.6
203.05353	0.9
243.08443	1.6
259.20261	0.3
333.20258	1.5
347.09406	1.8
354.41571	0.3
363.09534	0.4
365.10654	0.5
405.13715	3.4
474.10916	0.3
489.93387	0.4
519.29364	3.8
551.28052	2.1
561.69507	0.3
681.34442	5.1
713.33124	1.6
759.52521	0.4
829.51154	0.8
969.95245	0.4
991.55988	100.0
992.56799	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	989.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.3
69.07057	5.6
70.06590	6.2
70.37691	2.2
70.38087	1.9
71.01351	2.4
71.04992	31.4
73.02922	6.3
75.04472	4.3
77.10350	0.9
78.18726	1.0
79.05503	8.7
81.03421	2.3
81.07058	24.6
83.04980	14.9
83.08617	3.3
84.08144	2.0
85.02905	83.7
86.09698	1.9
86.75214	1.0
87.04456	1.1
91.03944	7.6
91.05487	10.1
93.07039	25.4
95.01333	19.0
95.04961	4.3
95.08607	48.2
96.08939	1.0
97.02909	11.0
97.06533	2.6
97.10150	3.1
98.20859	1.3
99.04475	2.1
101.06045	1.0
103.03920	1.5
103.05446	1.1
105.07030	22.8
107.04969	2.1
107.08600	34.9
109.02882	1.2
109.06550	4.7
109.10152	28.9
111.04443	11.5
111.08080	10.3
111.11714	1.2
113.02356	2.9
115.03915	1.2
117.07027	2.4
119.08578	33.5
121.06512	4.0
121.10146	25.3
123.08062	4.6
123.11693	9.7
125.02360	1.1
125.09644	1.1
127.03913	6.4
129.05479	21.4
129.07007	1.4
131.03452	1.5
131.08585	9.4
133.10133	35.4
135.08078	8.6
135.11702	19.4
137.05917	1.5
137.09637	2.0
137.13278	1.8
139.11121	2.0
141.00717	2.3
141.01830	48.6
141.06883	1.0
143.08514	4.4
144.09291	1.4
145.04971	6.4
145.10127	19.4
147.04430	1.6
147.06522	11.2
147.07826	1.9
147.11684	26.5
149.09595	3.4
149.13264	27.6
151.07397	1.1
151.11169	2.7
155.08517	2.0
157.10132	9.7
159.02896	8.6
159.11702	24.1
161.09563	5.0
161.13254	22.9
163.06023	12.3
163.11223	2.9
163.14830	11.8
165.12770	1.4
169.10153	3.5
171.11679	8.8
173.09650	1.7
173.13275	14.8
175.11205	3.3
175.14813	20.5
177.04012	2.6
177.12779	3.1
177.16396	15.9
183.11671	4.2
185.09671	1.1
185.13275	7.4
187.11159	1.8
187.14798	10.7
189.12779	4.6
189.16393	19.6
191.14331	3.5
191.17926	3.3
193.15913	2.9
195.17424	2.2
197.13187	3.4
199.14780	8.0
201.12668	1.9
201.16371	16.8
203.14355	5.2
203.17966	12.0
205.15948	5.6
207.17455	5.9
209.13319	1.7
211.14798	3.5
213.07614	1.3
213.12787	1.7
213.16345	5.5
215.14339	2.5
215.17972	9.9
217.12187	1.3
217.15887	5.8
217.19493	3.3
219.13850	1.0
219.17458	7.4
221.18976	4.3
223.14880	1.6
225.16341	2.0
227.14371	1.4
227.17996	2.2
229.15839	2.9
229.19531	2.4
231.13785	3.1
231.17455	1.4
233.19023	3.6
235.16899	1.6
237.16464	1.4
239.17892	1.4
241.19537	1.9
243.17583	1.7
243.20964	2.0
245.15494	5.2
245.19029	1.8
247.17055	2.5
249.14818	3.3
253.19591	1.1
255.08746	2.9
255.21153	1.5
257.15222	1.3
257.19019	1.4
259.20517	1.3
261.22174	1.1
263.16388	1.4
269.06537	1.9
269.18954	1.4
273.18481	1.4
275.16464	2.1
275.20047	1.3
287.05463	4.4
293.17526	4.1
297.18729	1.2
297.22189	2.3
301.18237	1.2
305.08612	4.7
309.11642	2.3
313.25467	1.0
321.08163	1.4
323.09952	1.6
323.27054	1.5
335.27396	1.2
339.09207	1.3
349.28928	1.4
349.97223	1.3
353.28363	2.7
361.23605	2.0
365.19699	1.6
365.28455	2.5
367.29956	6.9
377.32169	1.5
383.29294	2.4
387.30652	1.3
395.32965	7.4
405.31561	7.8
407.33075	9.8
411.28888	14.4
421.31085	1.7
423.32574	24.5
425.33835	2.9
429.30109	3.0
433.30859	7.5
439.32108	19.6
441.33652	31.9
451.32047	32.9
457.33224	8.4
469.33163	100.0
470.33145	1.4
487.34177	41.0
581.34381	2.3
591.32867	1.8
599.35895	2.5
609.34137	3.0
627.35126	5.9
645.36249	6.3
948.78357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.4
69.03431	3.1
69.07069	5.1
69.46589	1.1
69.47012	1.7
70.06593	3.6
71.01347	2.3
71.04993	31.7
72.08167	0.5
73.02920	4.9
75.04479	3.9
77.03914	0.4
78.04707	0.3
79.05495	9.3
81.03423	1.5
81.07055	24.2
83.01339	1.1
83.04980	11.3
83.08606	2.5
84.08154	1.1
85.02904	64.8
86.03299	0.3
86.06083	1.8
86.09704	1.3
87.04486	1.0
88.07619	0.4
91.03961	4.1
91.05474	9.8
93.07042	23.8
95.01331	14.8
95.04414	0.4
95.04978	3.2
95.08604	44.2
97.02882	6.8
97.06536	1.5
97.10174	1.6
99.00841	1.9
99.04464	1.3
101.02367	1.6
101.05998	0.8
103.03963	2.3
103.05460	0.7
105.06287	0.4
105.07030	29.4
107.04969	1.7
107.08591	30.3
109.02872	1.1
109.06531	3.2
109.10152	22.6
109.21527	0.3
110.07187	0.3
110.10508	0.3
111.04438	8.7
111.08087	7.6
111.11719	0.6
113.02372	2.7
114.05447	0.5
115.03922	1.0
115.05451	0.6
117.07021	5.6
119.04971	0.7
119.08580	27.1
121.06526	2.0
121.10142	18.9
123.00767	0.8
123.04450	0.6
123.08079	2.4
123.11706	6.9
125.05990	0.9
125.09616	0.9
127.03918	5.1
128.06229	1.4
129.05484	16.0
129.06943	3.0
129.10249	0.7
130.07802	0.8
131.03416	1.1
131.08568	16.5
133.06514	1.6
133.10127	23.4
135.04443	1.0
135.07202	0.4
135.08052	1.6
135.11693	15.5
137.05983	0.8
137.09645	1.1
137.13275	2.1
139.03847	0.7
139.07574	0.5
139.11180	2.2
141.01826	37.0
141.06973	1.4
142.07809	2.2
143.08571	8.9
144.09332	1.4
145.04968	3.7
145.06424	0.5
145.10123	23.5
146.10933	0.6
147.04430	1.6
147.06535	7.9
147.08000	1.3
147.11687	22.2
149.05988	1.9
149.09711	0.8
149.13254	21.2
151.03961	0.4
151.07625	0.5
151.11154	1.8
153.05484	0.4
153.12735	0.6
154.07751	0.6
155.08545	4.1
156.09326	1.7
157.10133	12.8
158.10887	1.4
159.02908	6.4
159.04218	0.4
159.06639	0.4
159.08075	1.4
159.11688	22.6
160.12282	0.5
161.05983	0.9
161.09650	3.3
161.13258	16.3
163.06029	5.0
163.07426	0.5
163.11165	2.2
163.14809	4.4
165.01828	0.5
165.07373	0.4
165.12762	1.9
165.16330	0.4
167.07217	0.4
167.08611	1.2
168.09352	1.3
169.10143	6.7
170.10912	1.4
171.07883	0.8
171.11676	8.9
171.13120	0.7
172.12456	0.7
173.09717	2.0
173.13257	16.5
174.13731	0.4
175.07573	0.9
175.11214	4.1
175.14827	11.5
177.04057	1.5
177.09186	1.1
177.12775	2.4
177.16365	6.1
179.08633	0.8
179.14296	0.7
180.09451	0.3
181.10078	1.6
182.10948	1.4
183.11678	6.5
184.12512	0.4
185.09618	1.3
185.13245	9.2
186.14050	0.6
187.07558	0.8
187.11252	3.2
187.14821	13.1
189.09142	1.0
189.12737	3.0
189.16385	17.1
191.10605	0.8
191.14351	1.2
191.17900	2.1
193.10147	0.7
193.12233	0.6
193.15866	2.9
195.11659	2.7
195.17505	1.6
196.12491	0.6
197.09616	0.7
197.13245	6.4
198.13988	0.7
199.11154	1.0
199.14812	11.2
200.15518	0.4
201.09160	0.7
201.12784	4.6
201.16389	12.2
203.10699	1.0
203.14314	5.2
203.17935	3.9
205.12294	1.3
205.15860	6.9
207.10114	3.0
207.11777	0.8
207.17433	14.0
209.11641	0.7
209.13324	3.4
211.11215	0.8
211.14807	4.0
213.12848	1.9
213.16359	4.8
215.10915	2.2
215.14316	9.3
215.17889	4.9
217.12283	1.2
217.15875	6.8
217.19565	1.2
219.10149	0.6
219.13863	2.2
219.17416	5.9
219.19336	0.6
221.11635	3.1
221.13499	0.5
223.11324	0.4
223.15042	1.6
225.12804	1.3
225.16422	2.2
227.10753	0.4
227.14285	4.5
227.17868	3.6
229.12260	1.4
229.15858	7.6
229.19360	2.0
231.13867	1.7
231.17374	1.5
233.11705	14.6
233.15485	1.1
233.19034	1.3
235.13289	1.5
235.15283	0.4
237.16406	1.8
239.14230	0.8
239.17851	1.7
241.12175	0.4
241.15877	1.8
241.19534	1.8
243.13832	2.8
243.17418	2.8
243.21123	0.9
245.15407	1.7
245.18852	0.7
247.13248	3.5
249.14943	1.4
251.17972	1.4
253.15970	1.1
253.19553	1.5
255.08719	1.7
255.13976	1.3
255.17398	2.7
255.21216	0.8
257.19025	3.0
259.13043	1.6
259.20578	0.6
261.14822	11.2
263.16412	1.1
265.15750	0.5
265.19687	0.8
267.14346	0.3
267.17535	1.2
267.20932	1.6
269.06519	0.4
269.15308	0.5
269.19055	3.2
269.22672	1.2
271.13361	0.9
271.20657	0.6
273.09790	1.2
273.14859	8.2
275.16464	1.4
277.19577	0.8
279.17380	0.5
279.21268	0.8
281.15634	0.5
281.19055	1.2
281.22318	0.6
283.17154	0.7
283.20615	1.8
283.23752	0.6
285.14969	0.7
285.18414	0.4
285.22125	0.7
287.07620	1.1
287.16422	1.5
289.17947	0.5
291.15891	5.5
293.18857	0.8
293.22519	0.6
295.17307	0.7
295.20618	1.7
295.23923	0.5
297.22263	0.7
299.16281	2.0
301.17950	4.8
305.08694	2.4
305.17606	0.8
305.22568	0.4
307.24170	0.4
309.11819	1.1
309.22067	0.8
311.16260	0.6
311.23770	0.7
313.17923	3.2
315.19678	1.4
317.17590	0.6
319.19321	1.0
319.24295	0.5
321.08270	0.5
323.09705	0.5
323.20056	0.4
323.23602	0.6
327.19534	1.7
329.21130	0.6
331.19153	1.0
339.19611	1.0
340.14215	0.4
341.21088	2.9
345.20975	0.7
345.25769	0.5
347.27280	0.4
353.21271	0.9
355.22766	1.3
363.26828	1.3
365.19571	1.0
365.28235	2.1
367.22394	0.7
369.24298	0.5
375.30573	0.5
385.28854	0.6
387.30606	1.3
391.26526	0.9
393.23941	0.5
393.31674	1.2
403.30020	4.1
405.31506	11.9
406.32004	0.5
407.25903	1.3
409.27338	16.2
413.16046	0.6
413.66653	0.6
419.29767	0.6
421.31183	3.7
423.32632	4.9
427.28430	2.2
431.29471	3.6
437.30515	8.5
437.36243	0.6
439.32297	1.6
449.30508	59.5
450.30960	1.2
451.32315	1.8
465.29999	0.5
467.31583	100.0
468.31729	1.6
485.32620	32.3
486.32657	0.5
494.18970	1.8
494.68945	1.0
577.35046	0.5
579.32660	0.5
581.33807	0.7
589.31464	0.5
595.35645	0.7
607.32581	2.1
625.33728	12.1
631.07489	0.4
643.34613	3.9
661.35632	0.4
767.36365	0.4
987.36914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	4.2
69.07068	6.1
70.06592	16.8
71.01344	2.8
71.04990	46.2
71.06945	0.7
73.02910	8.3
74.09706	1.0
75.04487	4.6
79.05493	9.9
81.03419	2.1
81.07052	28.5
83.04976	19.9
83.05447	1.4
83.08625	2.8
84.08126	2.2
85.02902	100.0
86.06068	8.1
86.09705	7.1
87.04484	2.7
91.03948	9.0
91.05474	11.9
91.30956	0.8
93.07041	26.4
95.01324	22.6
95.04974	4.6
95.08603	54.3
97.02894	14.2
97.06533	1.6
97.10166	2.5
99.00792	1.6
99.04458	2.1
101.02377	1.4
103.03956	2.6
105.04517	0.7
105.07028	27.6
107.04961	3.0
107.08588	36.4
108.85782	0.8
109.02879	2.2
109.06509	1.8
109.10155	33.8
110.07148	2.0
111.04441	16.7
111.08074	8.8
113.02364	4.3
114.05521	2.9
115.03909	1.4
115.05439	0.8
117.07021	6.2
119.06136	0.7
119.08572	32.5
121.10145	20.6
123.04461	0.8
123.08073	1.3
123.11703	8.5
125.06007	1.0
127.03900	8.9
128.06226	1.4
128.75320	0.7
129.05484	25.7
129.07007	3.4
129.10240	2.0
130.07845	1.1
131.03429	1.3
131.08563	24.1
133.06529	1.1
133.10124	30.1
135.04477	1.1
135.11691	15.1
137.06007	1.7
137.09540	0.8
137.13293	2.6
139.03931	0.8
139.07527	1.3
139.11192	1.5
141.01822	56.6
141.06989	1.0
142.07780	1.1
143.08557	11.5
144.09346	1.7
145.04958	6.9
145.10114	34.0
147.06506	14.2
147.11681	32.3
149.06044	1.6
149.09631	1.1
149.13252	28.9
151.03812	1.1
151.07555	1.1
151.11198	1.5
151.14850	1.0
155.08527	3.7
156.09325	1.9
157.10135	14.3
158.10915	3.7
159.02870	10.6
159.11694	31.5
160.12370	0.8
161.09680	1.4
161.13255	23.2
163.06041	13.7
163.07449	1.2
163.14815	6.7
165.07651	1.6
165.09042	2.0
165.12802	1.2
167.07056	1.0
169.10132	4.7
170.10968	1.1
171.07722	2.3
171.11694	10.0
173.13258	40.0
175.11305	1.4
175.14841	11.9
177.03972	3.7
177.09175	2.2
177.12761	0.9
177.16389	13.1
179.07034	0.8
179.10689	3.4
181.10037	1.1
183.11682	6.6
185.13264	8.7
187.14816	22.8
189.09114	3.5
189.12785	1.4
189.16377	29.7
191.10680	4.7
191.17926	2.7
193.12227	8.9
193.15974	0.9
195.11691	2.0
195.17484	1.4
197.13234	7.6
199.14792	15.5
201.12801	1.6
201.16365	17.1
203.10648	6.1
203.14256	1.8
203.18002	6.1
205.12248	8.3
205.15889	8.6
205.19498	0.9
207.13834	2.6
207.17424	8.8
209.13257	2.0
211.10880	1.1
211.14792	5.8
213.16376	9.1
215.14366	2.8
215.17932	6.0
217.12239	8.5
217.15865	2.1
217.19542	2.1
219.13788	14.5
219.17314	4.8
221.15363	4.7
223.14812	1.4
225.16354	2.7
227.14186	1.7
227.17953	4.5
229.12253	2.1
229.19518	3.7
229.35027	1.0
231.13792	4.7
231.17453	1.3
233.15350	15.3
233.19011	1.2
235.16934	1.6
239.17990	3.2
241.19563	2.3
243.13860	3.3
243.21115	1.9
245.15359	11.1
245.19090	1.9
247.16972	1.5
247.20570	1.0
251.17975	1.3
253.19524	1.6
255.08723	2.6
255.21008	1.1
257.15411	3.4
259.16928	8.0
261.18433	0.9
267.21152	2.8
269.06564	1.8
269.15613	1.5
269.22549	1.0
271.16995	4.3
273.09814	1.5
273.15048	1.4
273.18524	4.5
279.21017	1.1
281.22516	1.7
283.16949	2.2
285.18527	3.5
287.07663	2.3
291.15894	7.4
297.18539	1.7
299.20047	2.9
303.15906	1.1
305.08752	8.0
305.17484	2.4
309.11807	2.6
311.20035	1.4
313.21439	3.9
317.17572	1.6
319.18985	1.8
321.08109	1.3
323.09778	1.0
325.21439	1.1
327.23212	2.2
329.17114	1.1
331.19104	1.4
339.23566	1.0
345.20654	1.7
359.22205	4.2
365.19727	1.0
365.24731	1.2
373.23691	1.9
375.30295	2.6
379.26407	1.6
381.27933	13.1
393.31476	10.7
403.30020	1.5
409.31216	5.5
411.32452	1.1
421.31018	64.5
427.28445	4.8
430.65079	0.9
437.30194	1.2
439.32083	77.6
440.32053	1.3
449.30634	4.5
455.31519	0.9
457.33154	0.9
467.31567	66.6
468.31924	1.1
485.32611	32.9
486.32208	0.9
551.33130	1.2
561.32306	1.4
579.32880	4.1
597.34082	13.6
643.34705	2.7
715.95844	1.0
850.38269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	3.6
69.07073	7.3
70.06590	16.2
70.76308	1.8
71.01353	3.5
71.04993	45.7
73.02911	6.0
75.04478	5.2
77.03931	0.7
79.05062	1.2
79.05492	10.6
81.03423	1.7
81.07057	29.4
83.01322	0.8
83.04984	18.8
83.08611	2.8
84.08141	1.7
85.02903	100.0
86.03178	0.8
86.06065	7.6
86.09705	6.1
87.04465	1.0
91.03945	7.5
91.05471	13.0
91.57060	0.7
93.07040	27.6
95.01326	20.4
95.01944	1.2
95.04963	3.9
95.08604	51.2
97.02879	13.8
97.06530	1.7
97.10170	1.5
99.00809	1.4
99.04446	1.3
101.02372	1.1
101.06017	1.3
103.03950	2.1
105.07027	29.7
107.04969	3.1
107.08589	36.0
109.02860	2.8
109.06533	1.8
109.10150	32.0
110.07172	1.6
111.04436	15.1
111.08070	7.7
113.02367	3.0
114.05549	2.8
115.03936	1.8
117.07012	4.8
119.04966	1.0
119.08580	29.8
121.10140	22.1
123.00764	1.1
123.11703	8.2
125.06023	1.8
127.03917	8.1
128.06201	1.0
129.05481	27.0
129.07031	3.0
129.10231	1.4
130.07785	1.0
131.03438	1.6
131.08571	23.6
133.06607	0.8
133.10127	28.0
135.04514	0.8
135.11693	14.7
137.05981	1.2
137.13281	2.9
139.07573	1.3
139.11185	1.3
141.01823	55.7
141.06993	1.2
142.04979	1.1
142.07787	1.9
143.08560	9.4
144.09340	1.6
145.04953	8.7
145.10117	35.1
147.04643	0.8
147.06519	15.3
147.11684	31.6
149.06038	2.2
149.13254	30.1
151.07486	0.9
151.11253	1.6
153.50824	0.7
155.08588	2.8
156.09428	1.9
157.10138	15.2
158.10901	2.3
159.02873	9.5
159.08009	1.4
159.11687	28.8
161.09601	1.0
161.13254	21.0
163.06018	15.8
163.07397	1.0
163.14796	6.9
165.07629	1.7
165.09149	2.8
165.12859	1.0
167.07063	1.0
167.14279	0.9
169.10094	3.5
171.06445	1.3
171.07735	2.8
171.11676	10.3
173.13264	39.8
175.07434	1.3
175.11249	2.0
175.14828	11.3
177.04007	2.4
177.09172	3.3
177.12852	0.9
177.16379	10.1
179.10677	3.0
179.14134	0.9
181.10039	1.4
183.11661	4.7
185.09424	0.9
185.13257	9.0
187.11208	1.5
187.14825	20.7
187.16425	1.2
189.09016	3.5
189.16385	26.7
191.10710	2.7
191.17995	2.2
193.12242	8.1
193.15878	1.5
195.11711	1.9
195.17513	1.4
197.13240	6.9
199.10939	0.9
199.14813	13.8
201.03769	0.9
201.12738	1.6
201.16373	17.8
203.10652	4.6
203.14510	1.2
203.17915	6.0
205.12242	9.6
205.15810	8.3
205.19507	1.9
207.13890	3.1
207.17442	9.6
209.13326	2.0
211.14743	4.3
213.08963	0.8
213.16403	7.9
215.14366	2.7
215.17961	6.6
217.12206	5.6
217.15773	1.6
217.19502	1.7
219.13838	14.7
219.17368	5.3
221.15367	4.7
221.19093	1.2
223.14857	1.7
225.16426	3.4
227.14287	1.3
227.17924	5.0
229.12306	1.7
229.16002	0.9
229.19542	4.5
231.13840	4.4
233.15359	20.2
233.18958	1.6
235.16985	1.6
237.16379	1.2
239.17987	2.4
241.19557	2.5
243.13914	2.7
243.21187	2.3
245.15366	11.8
245.19060	1.6
247.17010	2.0
253.19707	2.3
255.08656	2.5
255.17700	0.9
255.21031	1.1
257.15399	3.0
259.16977	6.7
261.22250	1.0
267.17789	0.8
267.21152	2.3
269.06592	2.0
269.15530	1.3
269.22797	0.9
271.16992	4.3
273.09760	1.4
273.15579	0.8
273.18466	4.8
277.14279	1.2
279.20996	1.1
283.17020	2.3
284.16077	1.2
285.06271	0.9
285.18689	4.8
285.21820	1.3
287.07678	3.0
287.20166	0.9
291.15839	7.3
295.24155	1.3
297.18567	1.6
299.20099	3.0
301.18228	0.8
303.15790	1.2
305.08679	7.0
305.17606	3.2
309.11877	3.2
311.20178	1.9
313.21695	2.7
315.16086	0.8
317.17517	2.1
319.19199	2.0
321.08215	1.2
323.09824	1.6
325.21893	1.3
327.23309	2.0
331.19022	1.5
335.27365	1.3
345.20639	1.1
351.23071	1.0
357.20990	1.2
359.22318	3.3
365.19757	1.8
365.24734	1.4
373.23773	1.7
375.30505	2.3
379.26505	1.7
381.27884	13.7
393.31522	10.4
397.23434	1.2
403.30133	2.1
409.31271	3.5
411.32449	1.0
421.31012	63.0
422.31476	1.4
427.28470	4.8
437.30536	1.1
439.32080	76.6
440.32697	1.7
449.30441	4.5
455.31635	1.2
467.31589	67.8
468.31952	1.4
485.32642	32.9
551.33514	1.1
561.31879	1.3
569.42535	0.8
579.33160	3.4
597.34204	14.0
615.35840	1.0
625.32965	1.1
643.34680	2.7
767.37341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	4.9
69.07071	18.2
69.32344	9.5
71.04990	3.1
73.02911	1.9
73.06541	0.9
77.03934	0.9
79.05489	51.6
81.03419	9.2
81.07053	64.6
83.04986	7.4
83.08614	9.3
85.02897	9.3
85.06560	2.8
91.03974	4.0
91.04888	1.8
91.05473	43.4
93.07038	60.2
94.98824	0.9
95.04959	10.5
95.08601	47.0
97.02874	6.0
97.06519	6.8
97.10165	6.0
99.04482	0.9
99.08088	3.3
103.05482	1.6
104.61983	0.8
105.04539	0.8
105.07025	31.3
105.50687	0.8
107.04965	3.2
107.08589	36.4
109.02830	1.7
109.06509	4.7
109.10156	28.6
109.10901	1.6
111.04464	1.0
111.08095	3.3
115.05461	1.3
117.07008	14.2
119.02079	0.8
119.08578	26.8
121.06491	1.8
121.10134	27.0
123.08075	3.9
123.11691	5.1
125.09621	4.2
127.03912	3.3
128.06227	1.7
129.07001	5.8
131.08559	19.1
133.06522	1.3
133.10126	19.3
135.08089	2.8
135.11702	13.3
137.09631	2.5
137.13278	1.0
139.11252	1.4
141.06990	2.4
142.07738	1.0
143.08542	6.1
145.04971	2.1
145.10123	15.0
147.07997	1.4
147.11690	15.0
149.09625	6.4
149.13245	6.8
155.08533	2.8
155.10699	1.0
157.10098	4.9
159.11679	13.7
161.09570	1.2
161.13254	6.5
163.06024	1.3
163.11180	2.6
163.14771	1.9
165.12807	0.9
169.10101	2.9
171.11699	5.0
173.04485	2.8
173.11749	4.1
173.13275	8.1
175.14851	3.2
177.12766	1.8
183.11696	2.0
185.13220	5.4
187.14813	2.8
189.11243	1.9
189.12775	1.4
189.16272	1.2
195.11682	0.9
195.13750	1.7
197.13280	1.7
199.14830	3.1
201.12779	1.2
201.16406	1.4
203.14294	1.5
211.14897	1.4
213.16467	1.4
217.15930	2.7
219.17499	2.0
222.67810	0.9
227.12697	6.2
229.14333	11.6
235.16937	1.5
239.17908	2.9
241.19572	1.4
243.21080	3.0
251.49672	0.9
256.07834	1.1
257.19016	7.5
259.20590	2.8
261.22125	10.7
267.16025	1.3
269.17343	6.6
275.20047	18.9
277.21729	1.0
291.19626	2.7
293.21008	2.2
309.20587	8.5
317.24820	2.9
331.22693	3.7
333.24329	3.2
335.25787	100.0
336.26413	1.1
349.23718	21.4
367.24881	1.2
413.21768	1.7
443.28552	0.9
453.24921	1.0
489.35751	12.1
505.35123	2.0
515.37280	7.7
529.38892	28.8
543.40472	2.9
545.38202	1.4
551.40497	1.1
555.39880	1.0
569.41968	30.6
609.45099	34.9
627.46143	9.6
673.42694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93757	0.2
68.99765	0.2
69.03423	3.1
69.03786	0.3
69.07069	3.6
69.23262	0.2
70.06558	0.5
71.01348	2.4
71.04990	35.1
71.08629	0.2
71.58484	0.2
71.59761	0.3
73.02911	5.4
74.09719	0.2
75.04479	4.9
77.03896	0.3
79.05489	7.9
81.03426	2.0
81.07053	20.0
83.01337	0.7
83.04977	16.8
83.08618	2.3
84.95942	0.2
85.02899	77.5
85.06528	0.3
86.03205	0.3
86.06063	0.5
86.09696	0.3
87.04446	1.6
91.03378	0.4
91.03954	6.4
91.05472	8.1
93.03352	0.3
93.07039	17.9
95.01323	17.2
95.04965	2.8
95.08601	40.7
96.08916	0.2
97.02888	10.0
97.06549	1.1
97.10162	0.9
99.00819	1.9
99.04439	1.9
101.02387	0.9
101.06009	0.9
103.03932	2.4
103.05479	0.5
105.07024	18.1
107.04967	0.6
107.08588	24.5
109.02863	1.5
109.06510	1.7
109.10147	28.5
110.09221	0.2
111.04436	12.5
111.08074	4.6
111.11733	0.5
113.02361	2.8
113.06013	0.7
115.03917	0.6
115.05433	0.5
117.01830	0.3
117.07001	3.6
119.04895	0.3
119.08571	20.0
121.06541	1.0
121.10134	17.0
123.00782	0.8
123.04444	0.8
123.08073	0.8
123.10809	0.4
123.11703	7.2
125.02331	0.4
125.05981	2.0
125.09550	0.4
127.03919	5.6
128.06186	0.7
129.05475	22.1
129.06886	2.4
130.07793	0.6
131.03458	1.0
131.04922	0.2
131.08562	13.3
133.06488	0.7
133.10126	18.6
135.04413	0.9
135.08058	0.8
135.11688	12.2
136.12071	0.3
137.02301	0.4
137.05972	2.0
137.09622	0.6
137.13242	2.1
139.03918	0.8
139.07513	1.0
139.11180	1.8
141.01817	41.2
141.06999	0.8
142.07771	1.2
143.08543	6.7
144.09351	1.2
145.04956	5.2
145.06456	0.6
145.10112	18.6
146.10902	0.5
147.06517	10.6
147.07980	0.9
147.11676	13.6
149.05971	4.1
149.09599	0.5
149.13245	14.5
151.03886	0.3
151.07524	1.8
151.11169	0.9
151.14793	0.6
153.05544	0.3
153.06885	0.2
153.09111	0.4
153.12755	0.8
155.08540	2.4
156.09349	2.8
157.01453	0.2
157.05043	0.3
157.06593	0.3
157.10117	10.2
158.10861	1.3
159.02884	8.8
159.06635	0.3
159.08057	0.9
159.11685	17.8
160.12459	0.9
161.05980	0.6
161.09657	1.0
161.13242	11.7
163.06032	9.7
163.07527	1.9
163.11194	0.4
163.14810	5.6
165.07555	1.1
165.09120	1.3
165.12787	0.7
167.07059	0.3
167.08530	0.5
167.10716	0.2
167.14314	0.2
168.09349	0.5
169.05014	0.4
169.10117	3.2
170.10875	0.7
171.06528	0.9
171.08025	0.6
171.11676	13.3
172.12372	0.5
173.09647	0.9
173.13254	12.2
174.13899	0.5
175.07529	1.7
175.11247	1.1
175.14818	6.3
177.03958	2.0
177.05408	0.3
177.09085	2.9
177.12772	0.8
177.16368	7.1
179.07028	0.3
179.08618	0.3
179.10683	0.8
179.14337	0.7
180.09314	0.3
181.10083	1.0
181.15820	0.5
182.10933	0.6
183.02931	0.4
183.11670	3.6
184.12453	0.8
185.09708	1.2
185.13251	8.0
186.14063	0.5
187.07533	0.6
187.11214	0.9
187.14810	8.0
188.15523	0.4
189.09119	2.2
189.12755	1.4
189.16368	11.9
191.10638	4.3
191.14285	0.5
191.17960	1.4
193.10196	0.6
193.12262	1.6
193.15871	0.8
194.10884	0.3
195.06572	0.5
195.11681	1.7
195.17499	0.9
196.12437	0.5
197.09621	0.3
197.13252	5.1
198.13875	0.3
199.11185	2.2
199.14806	8.8
200.05457	0.3
200.15694	0.3
201.03961	0.3
201.09129	0.6
201.12715	3.3
201.16367	12.7
202.17110	0.8
203.10643	2.4
203.14288	1.6
203.17955	2.6
205.10294	0.4
205.12210	2.6
205.15875	2.9
207.11722	0.6
207.13632	0.4
207.17427	5.6
209.13217	2.3
211.11166	0.6
211.14786	2.9
213.03828	0.3
213.07507	0.6
213.09308	0.4
213.12761	1.7
213.16351	3.8
215.10713	0.9
215.14349	2.1
215.17926	2.9
217.12222	5.7
217.15720	1.5
217.19427	0.5
219.05086	0.2
219.10333	0.3
219.13791	6.6
219.17293	1.9
221.13283	0.9
221.15361	0.5
221.18996	0.3
223.06003	0.2
223.09607	0.4
223.14795	1.5
225.12856	1.2
225.16345	2.0
227.10638	0.5
227.14317	2.2
227.17905	2.9
229.12218	1.6
229.15866	0.4
229.19479	1.2
231.13785	6.3
231.17332	0.3
233.15353	3.9
233.18967	0.4
235.09599	0.5
235.14870	0.7
237.07642	0.2
237.10947	1.3
237.16362	0.8
238.17154	0.3
239.14377	0.6
239.17940	1.5
241.06996	0.3
241.12134	1.0
241.15869	0.7
241.19432	1.2
243.05267	0.3
243.13788	4.5
243.17509	0.3
243.21104	0.7
245.11652	1.1
245.15352	5.7
245.18977	0.4
247.20497	0.3
249.11087	1.5
249.16554	0.4
251.12711	0.5
251.17979	0.7
253.12033	0.3
253.15932	1.2
253.19388	1.0
255.08612	2.3
255.13762	1.2
255.17461	0.5
255.21078	0.8
257.15384	1.6
259.08105	0.4
259.13412	0.8
259.16891	2.0
261.11334	1.0
263.12772	2.4
263.17987	0.4
265.14310	0.6
265.19653	0.5
267.17728	0.5
267.21103	1.4
269.06549	1.4
269.15372	1.2
269.18790	0.4
269.22543	1.0
271.13385	0.7
271.16922	3.1
273.09607	1.2
273.18521	1.9
275.12759	1.1
277.14331	5.2
277.19220	0.4
279.16031	0.2
279.21109	0.5
281.15497	0.4
281.19159	0.4
281.22583	0.5
283.14014	0.3
283.16785	1.2
285.06223	0.4
285.18536	1.8
285.21750	0.4
287.07700	2.1
287.12766	0.7
287.20084	0.5
287.23495	0.3
289.14328	12.2
291.10626	0.4
291.15955	0.7
293.18930	0.4
295.16885	0.2
295.20538	0.4
295.24313	0.4
297.18536	0.6
299.20081	0.8
301.14352	3.0
303.07034	0.3
303.15891	5.0
305.08627	4.7
305.17551	0.5
307.24814	0.2
309.11804	1.9
309.18430	0.4
311.14862	0.3
311.20035	1.1
313.14551	1.0
313.17911	0.3
313.21652	0.9
315.15887	7.5
317.17435	4.0
321.08154	0.8
323.09735	1.0
323.20041	0.4
325.21637	0.7
327.15848	2.9
327.23184	0.4
329.17468	3.7
331.19092	1.4
337.21887	0.3
339.09442	1.0
339.23135	0.3
341.17563	0.7
343.18988	4.6
345.20776	0.3
355.18994	2.2
357.20541	3.8
363.26901	0.6
365.24731	0.4
367.18707	0.3
369.20593	2.2
371.22156	3.5
375.30585	0.6
379.26443	0.6
381.20618	0.9
381.27777	0.6
383.22113	1.1
385.23807	0.5
385.28696	0.3
391.29767	0.7
393.31595	0.8
395.21863	1.1
401.28415	0.4
403.29993	1.5
409.23770	0.7
409.30927	0.5
419.29294	2.0
421.30960	4.9
423.25140	1.7
425.26840	12.8
437.30533	1.4
439.32816	1.1
447.28989	1.1
453.29968	10.9
455.31613	0.8
463.28244	0.7
465.29993	88.9
466.30463	1.9
467.31412	0.4
483.31030	100.0
484.31339	2.5
501.32062	10.5
502.32114	0.4
524.33411	0.3
593.34283	0.3
595.33124	0.3
605.31091	0.5
623.32312	1.4
641.22491	0.3
641.33099	5.6
659.33856	0.3
677.34576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	0.9
71.04999	1.6
79.05515	0.5
81.07069	1.0
82.56788	0.2
85.02908	2.3
86.09721	0.3
91.05505	0.7
93.07067	0.8
95.08599	1.7
97.02900	0.3
105.07050	0.9
107.08569	1.1
109.10174	0.4
119.01067	7.0
119.01828	0.5
119.08561	1.2
121.10175	0.5
129.05504	0.6
131.01927	0.3
131.08600	0.3
133.10211	0.6
135.11742	0.5
137.02097	1.9
138.22389	0.2
142.74846	0.2
144.78326	0.2
145.10173	0.8
147.11754	0.4
153.60287	0.2
157.10184	0.2
159.11737	0.4
161.02971	0.3
161.13208	0.3
163.00134	0.4
169.04709	1.1
173.13350	0.4
181.01146	1.0
185.04221	5.8
187.14835	0.3
199.02220	0.8
203.05310	0.4
205.16183	0.2
217.03226	1.3
245.06454	0.9
269.06400	1.0
273.05939	1.0
281.06293	2.1
299.07385	4.1
315.10254	0.2
331.09985	15.1
343.06595	0.3
349.11029	2.1
361.07578	0.9
379.08371	2.4
391.12131	2.4
415.12094	4.2
421.34821	0.3
427.12128	3.3
445.13187	8.1
449.12750	0.3
479.13974	0.7
489.12439	0.8
497.36255	0.7
507.13202	5.9
525.14368	1.0
542.56042	0.3
580.89313	0.3
587.38635	0.4
615.68481	0.3
673.38971	0.4
691.39471	1.0
835.43939	1.0
847.47473	0.3
934.85223	0.3
981.50238	100.0
982.50537	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	981.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46083	8.4
71.64907	0.8
83.88258	0.9
85.02893	2.8
85.08381	1.0
97.02866	1.5
98.99157	0.8
163.03917	0.9
166.99710	0.9
181.07629	1.1
185.07022	1.0
195.09108	2.1
197.10693	3.3
199.08624	2.2
211.08588	1.1
212.09418	11.9
213.10161	7.8
222.07852	2.0
223.08649	2.5
223.12267	4.0
224.09435	1.4
225.06700	2.4
225.10202	27.8
226.10904	3.3
227.08139	2.8
227.11751	7.2
237.10202	2.7
239.08112	1.3
239.11827	3.3
240.12561	100.0
241.09627	4.1
241.13330	58.3
242.13797	1.1
251.08124	5.4
253.06046	4.2
253.09726	5.4
255.07430	2.2
255.11171	2.5
259.14377	3.3
265.09677	7.5
267.07697	3.9
267.11276	6.6
269.09283	1.7
271.10748	1.2
279.07614	4.0
280.08420	1.3
283.07385	1.8
283.10764	4.8
284.11493	1.3
285.12167	1.1
293.09131	8.4
295.10739	12.0
297.08728	3.8
311.10233	12.1
312.10938	3.8
321.08652	5.4
323.10239	1.4
339.09711	15.8
371.12424	1.4
385.10031	1.5
563.22577	3.3
589.20465	1.4
607.21857	37.3
625.22968	22.3
639.24487	40.5
640.24738	1.1
657.25543	71.3
658.25464	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31398	1.1
69.31822	2.7
70.06606	0.6
71.04981	0.4
81.07076	0.5
85.02908	0.9
93.07034	0.4
95.08617	1.7
97.02911	0.4
105.07052	0.5
107.08614	0.6
111.09274	0.4
119.01055	7.3
119.01825	0.5
119.08572	0.7
134.81308	0.4
137.02121	1.8
145.10242	0.7
159.11769	0.4
161.13304	0.4
163.00066	0.5
169.04765	1.6
181.01106	0.7
185.04218	5.6
199.02170	0.8
217.03261	1.1
245.06372	0.5
259.46716	0.4
269.06479	1.2
273.05945	0.8
281.06390	1.6
299.07376	3.5
331.09985	14.3
349.10986	1.8
361.07645	1.1
379.08600	2.0
391.12222	1.8
415.12024	3.5
427.12167	3.7
445.13144	7.3
479.13617	0.5
489.12344	0.8
495.34406	0.8
507.13144	5.8
585.36377	0.5
671.36987	0.7
689.37750	1.1
833.42908	1.0
845.46649	0.4
965.17786	0.4
979.48669	100.0
980.49072	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	975.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	4.0
69.07058	5.6
69.40285	7.0
70.06579	1.4
71.01345	2.4
71.04991	38.5
73.02911	6.0
75.04488	5.6
78.83734	0.7
79.05492	9.1
81.03419	2.8
81.07054	29.8
83.04477	1.0
83.04979	17.3
83.08614	3.2
85.02903	80.5
87.04455	1.7
91.03956	7.6
91.05475	11.4
93.07044	25.3
95.01326	19.1
95.04962	7.0
95.08603	45.1
97.02890	9.2
97.06523	7.7
97.10164	2.0
99.00813	1.8
99.04464	1.4
99.08089	1.6
101.06001	0.9
103.03941	3.2
105.07027	33.1
107.07860	1.9
107.08591	38.7
109.02860	1.4
109.06508	5.7
109.10152	33.2
111.04446	10.2
111.08082	18.8
113.02374	2.9
113.06042	1.4
113.06992	0.7
117.06985	4.7
119.08579	37.8
121.06535	2.4
121.10139	27.0
123.08091	2.0
123.11707	7.9
125.09660	4.6
125.10413	0.8
127.03953	5.8
127.07568	2.2
128.06281	1.4
129.05478	20.7
129.07025	2.2
131.03386	1.8
131.08566	15.5
133.10124	32.0
135.08067	3.1
135.11699	18.6
137.09624	1.8
137.13252	3.2
139.11143	1.8
141.01823	51.7
142.07770	1.2
143.08577	7.2
144.09335	1.3
145.04961	3.9
145.10118	28.1
147.06514	10.0
147.07793	1.2
147.11690	25.1
149.09613	2.0
149.13255	21.2
151.11163	2.8
153.12657	0.8
155.08559	2.8
156.09372	2.8
157.10126	16.2
158.10904	1.2
159.02879	10.8
159.11693	35.0
161.09634	2.8
161.13251	26.0
163.06024	9.8
163.11198	2.1
163.14825	7.1
165.07581	0.8
165.12738	2.1
169.10127	4.7
171.11674	12.8
172.12445	1.2
173.09782	0.9
173.13257	23.7
175.11232	3.1
175.14828	16.4
177.03947	2.9
177.12819	2.2
177.16385	14.6
179.14268	1.0
183.11656	5.6
183.65997	0.7
184.12488	1.0
185.13251	9.7
186.13977	1.4
187.14812	16.3
189.12709	1.7
189.16377	28.7
191.14336	3.3
191.17987	3.0
193.12251	1.3
193.15912	2.8
195.11598	1.8
195.17430	1.3
196.12601	1.0
197.13284	4.6
198.14008	0.9
199.14804	11.7
201.12752	1.6
201.16385	18.1
203.14403	2.3
203.17943	10.7
205.15904	7.6
205.19513	1.0
205.58261	0.9
207.13757	0.9
207.17419	6.5
209.13313	1.7
209.15216	0.9
211.14856	3.8
213.13054	0.8
213.16388	11.2
215.14359	2.1
215.17958	11.9
217.15877	10.1
217.19537	2.5
219.17418	7.8
221.15517	1.5
221.19012	0.9
223.14795	1.8
225.16312	4.8
227.17934	4.3
229.15869	3.5
229.19551	2.1
231.17406	10.1
233.15532	0.9
233.19003	2.2
235.16985	1.9
237.16357	1.9
239.17944	2.6
241.19566	2.4
243.17505	3.3
243.21095	2.9
245.19081	1.5
247.16982	2.4
249.16354	0.9
249.18579	3.1
251.18034	1.8
253.19571	2.3
255.08694	2.9
255.21111	2.1
257.19092	1.8
259.20538	1.4
261.18494	6.3
261.22314	1.7
265.19553	1.2
267.21085	2.9
269.06549	1.1
269.19083	1.0
269.22498	1.9
271.20605	2.1
273.09653	1.7
275.20108	1.8
281.22714	1.6
283.20648	1.8
283.24249	1.2
285.22192	1.7
287.07629	2.3
287.20285	1.1
289.21539	1.5
301.21674	1.1
305.08685	5.6
308.69107	0.9
309.11829	3.2
309.22208	1.0
311.23810	1.8
311.27118	1.0
315.23105	1.5
321.25772	1.4
323.09949	1.3
325.25262	1.3
327.26886	2.7
329.25046	1.4
339.09607	1.0
339.26999	1.1
343.26263	1.0
347.25897	1.0
351.30322	1.0
353.28647	1.1
361.28760	4.8
363.18472	0.9
365.19574	1.5
379.29953	19.9
389.32129	2.2
391.33954	1.2
397.30994	7.0
401.31982	3.9
401.91824	0.8
407.33069	14.5
409.34598	2.1
415.32233	1.6
419.27399	1.3
419.33115	31.1
425.34149	9.2
437.34167	91.0
439.35754	1.0
443.35196	7.8
455.35205	100.0
473.36258	42.2
491.37512	0.9
542.33527	1.0
577.35321	2.1
595.36224	6.7
613.37421	9.4
631.38263	6.5
649.39429	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	5.1
69.07066	9.2
69.66765	6.2
70.06590	2.6
71.01359	2.5
71.04993	45.5
73.02908	8.3
75.04473	5.5
79.05495	10.1
81.03423	3.5
81.07056	39.8
83.01372	1.0
83.04981	15.6
83.08615	3.9
85.02905	100.0
86.09740	1.0
87.04476	2.7
91.03963	9.6
91.05478	12.8
93.06463	1.6
93.07046	33.6
95.01326	20.2
95.04998	4.8
95.08605	80.4
97.02901	12.5
97.06520	5.0
97.10180	3.4
98.21378	1.4
99.00825	2.2
99.04449	3.3
101.06052	1.3
103.03951	2.6
103.14005	1.0
105.07030	37.6
107.04957	2.0
107.08595	54.8
109.02862	2.8
109.06517	6.9
109.10156	46.8
111.04440	14.7
111.08077	16.2
111.11733	1.4
113.02378	4.0
113.06011	1.0
115.03910	1.5
117.07038	3.7
119.08580	46.2
119.56696	0.9
121.06506	4.5
121.10143	42.3
123.00771	1.1
123.08073	7.2
123.11702	15.1
125.09628	3.2
127.03927	7.5
127.07543	2.0
128.06195	1.5
129.05484	27.5
129.07037	2.5
130.07794	0.8
131.03392	1.2
131.08568	15.8
133.10127	51.2
135.08058	6.7
135.11694	29.7
137.09634	3.9
137.13280	4.3
139.03998	1.1
139.07469	1.0
139.11182	4.3
141.01826	61.4
141.09155	1.3
142.07811	1.3
143.08565	5.9
144.09317	2.1
145.04974	8.5
145.10123	28.2
147.04459	1.5
147.06503	17.0
147.08139	1.7
147.11685	36.0
149.09621	4.1
149.13263	32.9
151.11180	4.3
151.14903	1.4
153.09140	1.2
155.08653	1.6
156.09348	2.6
157.10100	10.6
158.10889	1.4
159.02898	12.9
159.11691	30.3
161.09622	3.5
161.13257	29.0
163.06017	13.5
163.11200	2.7
163.14812	14.0
165.07635	2.2
165.12756	2.2
169.05069	1.0
169.10138	3.6
170.10912	1.1
171.11671	9.6
172.12592	1.0
173.09615	1.5
173.13269	21.6
175.11192	6.1
175.14825	24.3
175.16258	1.8
177.03987	3.0
177.12814	4.2
177.16379	22.3
179.14410	1.4
182.10997	0.9
183.11722	4.0
184.12616	1.0
185.13264	7.8
187.11137	2.2
187.14825	15.9
189.12759	3.0
189.16374	31.6
191.14334	3.3
191.17917	6.0
193.12260	1.6
193.15868	7.5
195.17477	4.1
197.13280	5.7
199.14815	10.1
200.56230	0.8
201.12657	1.4
201.16374	20.9
203.14400	5.4
203.17955	21.8
204.10104	1.0
205.15846	10.3
205.19421	1.4
207.17426	14.5
209.13322	1.2
211.14854	3.6
213.16374	10.3
215.14388	2.9
215.17934	13.8
215.19850	1.1
217.15871	6.5
217.19475	4.8
219.13873	2.3
219.17398	7.7
221.15436	4.1
221.19020	3.3
223.14862	1.8
223.16916	1.5
225.16400	4.0
227.14369	1.3
227.17993	3.6
229.15887	3.3
229.19586	2.5
231.17444	14.2
233.15361	1.9
233.19034	5.4
235.16994	6.5
237.16397	1.3
239.16171	5.0
241.19533	3.1
243.17484	5.2
243.21112	2.2
245.19031	1.6
247.16925	3.3
247.20647	1.8
249.18529	13.2
251.16499	3.1
253.19810	1.1
255.08723	2.6
255.21109	2.4
259.16837	1.2
261.18570	3.2
267.20901	1.6
269.06592	2.1
269.19031	1.4
269.22739	1.5
271.20679	2.4
273.09625	1.4
273.18497	1.5
279.19492	6.6
283.20651	1.8
283.24176	1.3
285.06116	1.1
285.22052	1.6
287.07910	2.0
287.20029	1.5
289.21613	2.2
295.20682	1.1
295.24197	1.5
305.08649	8.4
305.21082	1.4
309.11850	2.9
311.23746	1.2
311.27023	1.2
315.23199	1.8
321.08331	1.5
323.09610	1.7
325.25119	1.2
327.26654	1.2
329.24738	2.2
335.27438	1.1
339.09219	2.3
343.26385	1.8
347.25894	3.0
351.17990	1.5
361.28296	2.2
365.19550	2.5
379.21564	1.1
379.29962	9.1
381.31363	1.3
389.31970	1.2
391.33862	1.1
397.31033	14.4
401.32001	3.8
407.33221	9.1
409.34796	4.3
415.31989	5.4
419.33066	22.9
425.34155	43.9
437.34167	86.0
438.34677	1.1
439.35941	1.6
443.35309	6.2
455.35214	93.1
457.36835	1.0
473.36267	93.6
474.36694	1.0
577.35236	1.9
595.36133	7.4
613.37427	7.6
631.38348	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	974.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.8
69.07068	8.8
69.28027	0.3
70.06595	0.6
71.01363	0.7
71.04999	0.7
71.08624	0.8
73.02920	4.3
79.05494	5.0
81.03420	1.4
81.07059	21.5
83.04975	0.3
83.08625	5.8
85.02907	26.5
86.03274	0.3
91.03397	0.5
91.03960	10.5
91.05473	4.8
93.07047	14.8
95.01331	7.4
95.04962	1.1
95.08610	43.3
96.08963	0.3
97.02267	0.7
97.02896	12.7
97.10172	4.3
99.00813	0.7
99.04475	1.0
101.02396	0.3
103.03941	1.3
105.07039	10.6
107.08598	24.2
109.02876	1.0
109.06546	0.3
109.10161	29.4
111.08115	0.4
111.11735	1.3
113.02377	1.3
115.03947	0.9
117.07039	0.9
119.08588	19.5
120.08904	0.3
121.10144	26.0
123.00801	0.4
123.11710	15.0
125.06050	0.3
127.03924	11.4
131.03409	0.8
131.08566	4.2
133.10132	16.0
135.08107	0.4
135.11697	20.2
137.09621	0.5
137.13257	9.9
139.07506	0.7
141.01833	31.8
143.08556	1.1
145.04965	17.9
145.10124	6.8
147.11688	12.9
147.12888	0.3
149.13261	20.7
151.07616	0.3
151.14861	1.0
153.09103	1.8
157.10114	1.3
159.02898	8.9
159.11691	5.1
160.12477	0.4
161.09660	0.5
161.13261	8.8
163.06029	31.1
163.14810	7.8
165.09070	0.8
165.12675	0.3
167.10703	0.9
171.11719	1.2
173.09578	0.3
173.13261	4.5
175.14822	6.8
177.03943	2.7
177.09134	0.6
177.16379	6.1
177.17802	0.6
179.10677	1.8
179.14322	0.3
179.17937	1.5
180.08635	0.6
185.13283	1.0
187.14841	3.6
189.16391	25.8
191.10716	0.7
191.17953	50.6
192.18393	0.5
193.12244	0.5
193.19513	1.0
197.91505	0.3
199.14842	1.3
201.14880	0.4
201.16391	31.0
203.17963	36.1
204.08624	0.6
204.18346	0.6
205.19524	30.6
207.13789	0.4
207.17502	1.3
213.16382	2.7
215.17953	13.6
217.16078	0.4
217.19504	8.2
219.13821	0.4
219.17561	1.1
219.21112	0.7
221.15392	0.9
221.19086	1.1
223.16934	0.6
227.17943	1.7
229.19472	1.8
231.17488	1.2
231.21071	3.1
233.15411	0.6
235.16946	5.4
241.19496	3.0
243.21098	4.7
245.22664	3.3
247.16954	18.9
249.16078	0.6
249.18510	7.0
255.21112	2.6
257.22644	2.3
259.16977	0.8
261.18506	7.9
267.21072	0.3
269.22714	1.8
273.18616	0.8
275.20038	1.1
283.24173	0.6
285.05966	1.4
287.10739	0.4
287.20078	1.1
289.21716	2.4
295.24133	0.4
297.25787	0.5
301.21591	1.0
303.07123	0.8
315.23230	1.8
321.08151	5.7
325.11374	0.4
329.24612	0.4
337.29062	0.4
339.09232	2.8
341.24631	0.3
343.26215	0.6
351.30487	0.5
355.26224	0.4
383.29581	0.4
393.35178	13.4
394.35742	0.4
408.33392	0.5
411.36133	1.4
421.34763	0.9
425.34048	0.6
426.34692	0.4
439.35745	100.0
440.36029	2.4
617.94684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	3.2
69.07056	5.4
70.06583	2.5
71.01346	2.2
71.04993	26.9
71.44066	0.9
73.02917	6.0
75.04483	3.1
79.05492	6.4
81.03404	1.5
81.07054	18.3
83.04976	11.9
83.08614	2.7
84.08157	0.9
85.02901	67.5
85.06533	0.9
86.09697	1.0
87.04481	1.0
91.03954	6.0
91.05473	5.9
93.07040	16.4
93.82269	0.7
95.01329	14.0
95.04964	2.6
95.08602	39.2
97.02883	8.3
97.06516	2.5
97.10165	1.4
99.00832	0.9
99.04446	2.4
99.08101	0.9
101.02346	1.3
101.05981	1.2
103.03939	2.1
103.05476	0.7
105.07027	15.9
107.04983	1.2
107.08590	25.5
109.02909	1.2
109.06516	2.8
109.10149	22.7
111.04440	10.2
111.08083	7.8
113.02356	2.5
113.05968	1.0
115.03902	1.1
116.15911	0.5
117.07015	1.7
119.07850	0.7
119.08573	18.4
121.06498	2.1
121.10139	19.3
123.08082	3.8
123.11700	8.2
125.02242	0.6
125.09595	1.3
127.03926	5.4
127.07587	1.0
129.05482	18.4
129.06966	1.0
131.03407	1.6
131.08565	7.6
133.10121	22.0
135.08046	5.5
135.11685	14.5
137.05978	0.8
137.09639	2.0
137.13232	1.8
139.07497	0.9
139.11192	1.3
141.01825	37.8
142.07773	1.3
143.08560	4.1
145.04979	4.6
145.06458	1.0
145.10110	15.9
147.04417	1.0
147.06517	9.7
147.07787	1.0
147.08105	0.8
147.11674	16.0
149.09599	2.9
149.13260	14.0
151.07527	2.2
151.11195	2.1
153.09128	1.2
153.12807	0.8
155.08505	1.4
156.09357	1.5
156.64148	0.6
157.10120	7.6
159.02898	8.7
159.08067	1.1
159.11693	17.2
161.09647	2.5
161.13246	13.6
163.06004	6.8
163.07298	1.0
163.11174	1.6
163.14801	9.0
165.07616	1.2
165.09041	1.1
165.12733	0.9
169.10146	2.0
171.10260	1.1
171.11630	6.1
173.09618	2.5
173.13254	12.0
173.14665	1.0
175.11180	3.3
175.14819	11.2
177.04008	2.4
177.09155	0.8
177.12740	2.4
177.16399	7.8
179.14275	1.6
182.10870	0.8
183.11671	3.2
185.09631	0.6
185.13292	6.0
187.11205	1.8
187.14822	10.9
189.12753	3.9
189.16370	11.9
191.10616	0.7
191.14313	2.2
191.17935	3.4
193.15930	1.9
195.11757	0.9
195.17499	1.4
197.13309	3.3
199.11108	1.2
199.14812	5.1
201.12752	1.9
201.16380	9.9
203.14363	3.1
203.17964	8.7
205.15869	5.8
207.13847	1.3
207.17456	6.1
209.13341	0.8
211.14864	2.5
213.12712	0.7
213.16399	5.8
215.14314	2.4
215.17915	5.3
217.15895	2.6
217.19496	1.6
219.13789	1.6
219.17412	4.7
221.15417	1.0
221.19000	1.4
223.14879	1.1
225.16423	1.5
227.14200	1.3
227.17955	2.4
229.15855	3.9
229.19472	1.7
231.17474	1.4
233.15381	3.4
233.19109	1.5
235.17017	1.2
237.14851	2.3
239.18034	1.5
241.15874	1.4
241.19466	1.2
243.21071	1.1
245.15521	0.9
245.18964	0.9
247.16927	4.5
247.20718	0.7
251.16316	1.2
255.08640	2.2
255.17470	0.7
257.19135	0.9
259.17007	3.7
265.17999	1.8
273.18484	1.3
277.17917	6.2
279.21130	0.6
281.19012	0.7
287.07651	0.8
287.20200	1.2
289.17844	0.9
291.19507	1.1
297.22131	0.9
301.21552	0.8
303.19495	0.9
305.08649	4.4
305.21152	1.6
309.11942	1.4
313.21655	0.9
317.21127	1.7
321.07886	0.8
323.09900	1.4
327.23334	1.0
331.22705	1.2
335.27423	1.8
345.24323	1.5
353.28424	4.7
359.26001	1.1
365.19446	1.6
377.28369	0.9
381.27460	0.7
395.29498	2.2
405.31253	1.5
407.33206	1.1
413.16306	1.3
413.30417	7.1
413.66202	1.3
417.31641	3.2
423.32617	8.4
425.34146	2.1
435.32581	14.5
437.34103	1.4
441.33591	18.3
453.33624	65.7
454.34048	1.4
455.35388	1.6
471.34698	100.0
472.34766	1.9
489.35687	6.6
611.35583	2.7
629.36877	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	973.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.2
69.07072	5.7
70.06580	2.2
71.01346	1.4
71.04996	30.2
71.41940	0.6
71.42276	0.6
73.02921	5.7
75.04491	4.4
79.05494	9.6
81.03383	1.3
81.07060	24.4
83.04487	0.8
83.04982	13.6
83.08616	3.6
84.04470	0.5
85.02908	72.6
85.06526	0.9
86.09715	1.4
87.04478	1.1
91.03964	7.1
91.05481	10.6
93.07047	21.3
95.00756	0.8
95.01335	13.6
95.04967	2.3
95.08610	39.9
97.02900	8.5
97.06534	3.0
97.10164	1.4
99.00820	2.4
99.04437	1.9
101.02402	1.0
103.03954	2.6
103.05483	1.1
104.00745	0.5
104.26698	0.7
105.07034	26.6
107.08598	28.6
109.02878	1.2
109.06533	1.9
109.10162	27.2
110.10482	0.6
111.04452	9.9
111.08081	7.1
111.11704	1.3
113.02370	1.4
115.03955	0.6
115.05514	0.7
115.66115	0.5
117.07008	3.6
119.08587	26.9
120.33045	0.5
121.10146	18.3
123.00826	0.6
123.08084	1.3
123.11721	7.2
125.09625	0.7
127.03927	6.2
128.06174	0.7
129.05487	20.0
129.06894	2.9
130.07809	1.1
131.03358	1.2
131.08578	13.2
133.10133	20.5
135.08049	0.7
135.11694	13.4
137.05896	0.7
137.09587	0.8
137.13269	2.3
139.03873	0.6
139.11183	2.0
141.01831	38.3
142.07796	1.1
143.08562	7.1
144.09306	1.9
145.04973	6.6
145.10132	25.6
147.06520	10.9
147.11696	22.7
149.05956	0.7
149.09674	1.0
149.13252	16.4
151.11201	1.7
152.52298	0.6
153.05623	0.8
153.12770	1.1
155.08583	2.2
156.09373	1.6
157.10132	10.1
158.10928	1.1
159.02907	8.5
159.11700	23.3
161.09541	0.6
161.13263	16.8
163.06017	9.5
163.11165	0.9
163.14832	9.5
165.12744	4.2
168.09386	0.6
169.10173	3.5
170.10945	1.1
171.11682	10.8
172.12389	0.7
173.13268	14.8
175.11195	1.8
175.14824	10.2
177.03964	1.6
177.12791	2.0
177.16383	8.2
179.14308	6.9
181.10054	0.7
183.11694	3.0
185.13249	6.9
187.14821	14.7
189.12767	5.4
189.16394	12.7
191.14314	11.8
191.17958	2.8
193.15878	2.9
195.11748	1.6
197.13263	3.7
199.14803	6.8
201.08275	0.6
201.16393	19.0
201.18253	1.2
203.14330	8.9
203.17970	10.1
205.15886	15.0
205.19612	2.7
206.16302	0.6
207.11749	0.7
207.17418	7.3
209.13359	1.3
211.14807	3.0
213.16362	5.4
215.14426	1.2
215.17957	4.0
217.15872	5.8
217.19553	2.0
219.17451	17.2
221.19028	1.8
223.14777	0.8
225.16434	2.9
227.17966	7.7
229.15947	2.7
229.19490	3.1
231.17409	6.1
233.18994	2.6
235.20691	0.6
237.07816	0.9
237.16521	0.7
239.18016	2.8
241.15961	0.7
241.19653	2.9
243.17473	3.2
243.21172	2.7
245.19037	5.8
247.20584	1.8
251.18034	1.5
253.19525	2.4
255.08664	2.1
255.17377	0.9
255.21085	1.9
257.18988	3.2
257.22748	0.6
259.20572	3.5
261.22180	2.3
265.19534	0.8
267.21057	1.5
269.06647	1.2
269.19077	1.1
269.22733	0.8
271.20612	4.2
273.09808	1.3
273.22183	1.0
277.18051	2.1
279.21185	1.0
281.22723	1.2
283.20587	0.8
285.22247	2.7
287.07642	2.5
287.23563	0.7
291.10742	0.6
295.24176	1.4
297.22144	1.3
299.23755	2.1
303.19540	0.8
305.08759	4.7
307.24365	0.8
309.11832	2.7
311.23746	0.8
313.25235	2.2
317.20956	0.6
323.09567	0.7
325.25415	1.0
337.25363	0.8
339.26862	0.7
349.28842	2.9
365.28696	0.6
367.30069	8.4
389.32071	5.1
395.33099	3.7
407.33130	54.0
408.33383	2.3
413.30472	1.1
425.34158	100.0
426.34567	4.2
453.33728	11.2
471.34796	6.9
535.38208	0.6
547.33521	0.7
553.39136	0.7
565.35278	4.1
583.36279	15.0
584.36365	0.8
601.37408	4.5
629.37006	1.1
791.55200	0.6
838.72626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.6
69.03432	3.4
69.07067	7.1
69.35136	4.0
70.06579	1.4
71.01354	1.8
71.04990	29.7
73.02911	4.7
73.11313	0.4
75.04474	3.1
79.05487	8.2
81.03418	1.8
81.07053	26.9
83.01305	0.7
83.04979	11.5
83.08622	3.2
84.08183	0.6
85.02900	64.9
85.06534	0.6
86.06099	0.5
87.04466	1.4
91.03949	5.0
91.04887	0.5
91.05468	11.7
93.07043	23.6
95.01321	15.6
95.04977	2.2
95.08602	48.8
97.02888	6.7
97.06525	8.0
97.10152	1.8
98.21585	0.8
99.00796	0.8
99.04474	1.6
99.08102	0.5
101.02380	0.9
101.05996	0.8
103.03958	1.9
103.05498	0.6
105.07022	29.7
106.07334	0.6
107.04943	0.8
107.08585	29.7
109.02892	1.2
109.06533	2.0
109.10151	24.5
111.04442	7.4
111.08076	5.3
111.11714	0.9
113.02379	2.4
113.06011	1.2
115.03870	0.5
115.05430	1.0
117.06997	5.5
119.04952	0.4
119.08576	32.5
121.06532	1.9
121.10138	20.0
123.00771	0.5
123.08069	1.6
123.11709	8.0
125.05977	1.3
125.09604	0.4
127.03905	5.4
128.06224	0.9
129.05478	17.1
129.06943	3.6
130.07773	0.8
131.03397	1.5
131.07562	0.8
131.08559	15.3
133.06509	1.4
133.10127	22.9
135.08109	2.4
135.11684	18.3
137.05994	0.6
137.09612	1.2
137.13269	2.4
139.03896	0.5
139.07494	0.6
139.11166	2.6
141.01820	43.4
141.06985	1.5
142.07787	1.7
142.98166	0.4
143.08554	9.5
144.09349	1.5
145.04955	4.1
145.06071	0.5
145.10112	27.3
147.06525	8.3
147.08038	5.0
147.11682	23.8
149.09651	1.3
149.13252	28.1
151.07570	0.5
151.11179	2.8
151.14856	0.4
153.12851	0.6
154.07745	0.6
155.08537	4.9
156.09338	2.2
157.10123	13.9
158.10966	1.5
159.02888	8.8
159.08078	1.3
159.11690	23.2
161.09595	1.7
161.13252	16.5
163.06021	7.6
163.11195	1.4
163.14835	4.5
165.07483	0.7
165.12747	1.8
165.21576	0.4
167.08565	1.1
168.09323	1.4
169.10117	6.9
170.10904	1.2
171.06613	0.9
171.11682	11.3
172.12434	0.5
173.09650	2.4
173.13263	15.4
174.13777	0.5
175.11200	2.7
175.14819	11.4
177.03928	2.8
177.12799	1.9
177.16386	7.4
179.14331	1.1
179.17946	0.6
181.10091	2.6
182.10922	1.7
183.11679	6.4
184.12431	0.7
185.09613	0.9
185.13255	10.0
185.14827	0.8
187.11182	2.8
187.14806	12.1
189.12793	3.0
189.16370	23.1
191.10732	1.1
191.14348	1.5
191.17946	2.2
193.10344	0.7
193.12234	4.3
193.15872	3.6
194.10823	0.8
195.11702	3.0
195.13747	1.1
195.17482	1.3
196.12433	1.1
197.13257	6.9
198.14075	0.7
199.11188	0.9
199.14815	9.1
201.12704	3.7
201.16373	13.8
203.14258	3.4
203.17949	4.4
205.12213	0.8
205.15845	8.2
205.19427	0.5
207.11702	1.2
207.13860	2.7
207.17430	15.8
209.13275	3.2
210.14111	0.4
211.05911	0.4
211.14809	7.0
212.15524	0.4
213.12805	1.3
213.16382	7.2
215.14395	3.4
215.17944	4.6
217.12361	0.6
217.15852	4.3
217.19463	0.9
219.13800	7.9
219.17323	5.1
221.13237	1.2
221.15378	1.0
221.18933	0.8
222.83818	0.5
223.14923	2.2
225.16339	2.9
227.14429	1.8
227.17894	3.8
229.15866	6.2
229.19336	2.5
231.13768	0.9
231.17404	3.6
231.21039	0.6
233.13222	0.6
233.15404	4.3
233.18985	1.9
235.14845	1.3
235.16901	0.9
237.16359	1.4
239.14217	0.4
239.18036	2.0
241.15904	2.2
241.19473	2.5
243.17441	1.3
243.21161	1.0
245.15358	3.8
245.19031	0.9
247.14461	0.6
247.16920	8.9
247.20766	0.5
249.16319	0.8
249.18504	1.0
251.17986	1.5
253.15889	0.6
253.19585	1.6
255.08736	1.9
255.17441	0.9
255.21014	1.1
257.15399	1.4
257.19043	0.7
257.22870	0.6
259.16916	4.8
259.20584	1.0
261.18585	1.7
261.21628	0.4
263.17847	1.1
265.19522	1.2
267.17462	0.8
267.21097	1.7
269.06628	1.0
269.19061	1.4
269.22537	0.8
271.16898	0.8
271.20392	0.9
273.09625	1.0
273.18649	1.8
273.22018	0.4
277.17932	11.3
279.20947	0.8
281.18970	0.9
281.22687	1.0
283.17331	0.4
283.20596	0.9
285.18494	1.5
285.21802	0.6
287.07669	1.0
287.20059	4.1
289.17963	0.7
291.10767	0.4
291.19583	0.7
295.20602	0.7
299.20105	3.4
299.23431	0.8
301.21701	1.3
302.21918	0.5
303.19559	1.4
305.08649	2.8
305.21030	3.0
309.11777	1.4
309.22092	0.8
311.20029	1.0
313.21616	1.5
313.25024	0.6
317.21085	0.9
321.08185	0.5
323.09860	0.7
323.27264	0.7
325.21664	0.9
327.23257	1.7
331.22665	0.9
341.24640	1.1
341.28433	3.9
345.24258	0.9
351.18069	1.1
353.24774	0.9
359.27094	1.0
365.19598	1.1
367.29974	0.5
375.30527	0.5
377.28391	3.0
383.25888	0.5
387.30569	0.6
389.31937	1.1
393.27716	0.6
395.29343	10.3
399.30417	2.3
405.31543	3.1
407.33398	2.3
411.28857	0.5
413.30417	2.5
417.31522	13.0
419.33243	0.9
423.32523	10.6
423.37845	0.7
425.34216	1.3
435.32587	68.8
436.32892	1.3
437.34113	2.6
451.31729	0.5
453.33621	100.0
454.33926	2.0
455.35239	0.7
471.34686	36.0
472.35162	0.9
575.33478	1.1
581.35596	0.8
593.34741	4.2
611.35748	12.1
629.36823	8.2
647.37909	0.9
732.94934	0.4
782.41431	0.5
827.43896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	5.6
69.07066	7.7
69.50346	3.3
70.06585	0.9
71.01348	3.0
71.04991	44.6
73.02916	7.6
75.04477	6.6
77.03901	0.8
79.05488	10.6
81.03416	2.6
81.07054	34.3
83.01334	1.0
83.04980	21.0
83.08617	4.5
85.02901	99.9
85.06535	0.9
86.03216	0.4
86.06072	0.4
87.04444	2.3
91.03953	7.9
91.05466	10.4
93.07041	29.5
95.01325	23.0
95.04980	3.6
95.08601	59.4
97.02885	13.6
97.06497	2.5
97.10142	2.1
99.00831	2.9
99.04435	2.0
99.08086	1.2
101.02401	1.1
101.06012	1.4
103.03941	3.1
103.05489	0.6
105.07024	27.4
107.04912	0.5
107.08587	42.8
109.02877	1.8
109.06529	2.5
109.10152	47.8
110.10384	0.4
111.03677	0.9
111.04438	16.1
111.08075	12.0
111.11702	0.8
113.02382	4.0
113.06015	0.5
115.03935	1.4
115.05387	0.5
116.71915	0.4
117.06995	3.5
119.08574	39.8
121.06522	0.9
121.10138	35.5
123.00742	0.8
123.04408	0.5
123.08063	3.4
123.11697	12.1
125.05997	1.0
125.09627	1.8
127.03898	8.5
127.04778	0.6
128.06206	0.5
129.05473	26.7
129.07022	1.7
130.07791	0.7
131.03395	2.0
131.08565	12.7
131.09489	0.9
133.10124	30.6
135.04462	0.6
135.08067	2.1
135.11693	21.3
137.06042	0.7
137.09641	1.1
137.13232	3.1
139.03929	0.7
139.07550	1.3
139.11171	2.3
141.01820	60.6
142.07780	1.3
143.07019	1.0
143.08549	4.7
144.09341	1.3
145.04959	8.0
145.06239	0.5
145.10115	30.8
147.06520	16.0
147.07976	1.1
147.11679	28.3
149.09637	1.8
149.13252	28.4
151.03854	0.5
151.11174	1.3
151.14819	1.1
153.09067	0.5
153.12749	0.9
155.08577	1.3
156.09377	2.0
157.05038	0.8
157.10120	11.2
158.10910	1.6
159.02890	11.1
159.11685	31.6
160.12325	0.6
161.09615	2.7
161.13246	28.5
163.06012	12.2
163.07378	0.7
163.11191	1.9
163.14815	17.1
165.01793	0.6
165.07588	1.5
165.09077	0.5
165.12769	1.3
165.16330	0.5
169.04906	0.4
169.08665	0.8
169.10132	3.6
170.10902	1.7
171.06528	1.1
171.11682	15.5
172.12425	1.3
173.09776	0.8
173.13255	26.5
174.13914	0.4
175.11281	2.0
175.14818	21.8
177.03925	2.8
177.09187	0.5
177.12791	2.1
177.16374	15.9
179.03326	0.4
179.10652	1.3
179.14290	1.2
181.10109	0.6
183.02849	0.6
183.11687	4.2
185.13261	11.8
186.13960	0.9
187.11197	1.6
187.14813	25.3
189.09071	0.7
189.12753	2.5
189.16368	20.2
190.16541	0.6
191.10663	0.9
191.14349	2.9
191.17946	8.8
191.19588	0.8
193.08685	0.7
193.12119	1.0
193.15886	1.7
195.10179	0.7
195.11775	0.9
195.17421	2.8
197.13283	3.9
198.13921	0.4
199.14813	10.0
200.05569	0.6
201.03987	0.6
201.12721	0.9
201.16370	26.7
202.16731	0.7
203.10641	1.0
203.14365	4.0
203.17947	23.9
204.18262	0.5
205.12274	1.6
205.15868	8.7
205.19495	2.6
207.06493	0.5
207.10092	0.6
207.11958	0.7
207.13808	2.6
207.17441	6.7
209.13232	1.3
211.14806	3.6
213.07622	0.7
213.13028	0.6
213.16357	10.2
215.14386	1.5
215.17929	13.6
217.12358	3.3
217.15933	6.1
217.19505	11.7
219.13808	6.1
219.17377	5.2
221.11824	0.6
221.15350	2.2
221.18941	4.4
223.14804	1.8
224.58034	0.5
225.16382	3.2
227.14362	0.7
227.17918	4.7
229.12149	0.5
229.15871	1.7
229.19458	3.1
231.08583	0.8
231.13815	3.7
231.17415	3.1
231.20958	0.6
233.15361	14.8
233.18890	4.3
235.13275	1.7
235.16991	1.3
235.20557	1.2
237.07628	0.7
237.14836	1.7
237.16637	1.1
239.17972	3.3
241.15898	0.7
241.19498	2.9
243.13771	1.1
243.17514	0.7
243.21075	3.6
245.15343	3.6
245.19051	1.2
247.16925	9.4
247.19621	0.6
247.20659	0.8
249.14917	1.3
249.18484	0.9
251.16383	1.5
253.19614	1.6
255.08754	2.5
255.17336	0.7
255.21129	1.9
257.15356	1.6
257.19098	1.2
257.22665	0.5
259.08292	0.8
259.16934	6.7
259.20609	0.9
261.14804	0.9
261.18442	0.7
261.22171	0.8
263.16293	3.4
265.17801	0.8
267.21063	1.5
269.06528	1.9
269.18948	1.0
269.22662	0.7
271.17001	1.4
271.20673	0.6
273.09756	1.4
273.18475	3.0
275.16376	2.2
277.17984	7.7
279.21304	0.7
281.22659	1.3
283.20505	0.5
285.06097	0.5
285.18503	2.8
285.21835	0.7
287.07562	2.2
287.19977	3.2
289.17996	1.8
291.10687	0.5
291.19534	5.6
295.24203	1.2
297.18433	0.9
299.20068	2.5
299.23306	0.4
301.18121	0.8
301.21713	1.1
303.19443	2.7
305.08655	7.3
305.21014	4.9
309.11688	3.3
311.27426	0.8
313.21671	1.0
315.19510	1.2
317.21133	1.3
321.08176	1.3
323.09741	1.6
323.27264	0.5
325.21640	1.4
327.23239	1.5
329.21005	0.7
329.28555	0.7
331.22635	0.6
339.09201	1.2
341.24847	1.0
343.22681	1.6
345.24014	2.0
349.28885	1.9
351.26581	0.5
353.24576	0.7
357.24194	0.6
359.25845	1.5
365.19608	0.8
367.29968	0.9
371.25806	1.1
379.21173	0.7
389.31906	3.7
393.31937	0.5
395.29352	9.0
395.34222	0.5
405.31570	0.5
407.33093	14.5
409.34644	1.3
411.28964	1.2
413.30472	13.4
417.31531	2.4
423.32608	6.3
425.34122	9.7
425.39914	0.6
435.32602	26.8
437.34134	1.1
441.33676	17.8
451.31989	0.6
453.33621	100.0
454.34079	1.6
455.35291	2.6
471.34677	65.2
472.34998	0.9
565.35193	2.2
575.33746	0.6
583.36066	1.4
593.34528	1.6
611.35608	3.8
629.36798	7.5
933.51331	0.5
937.37891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05821	0.4
69.03429	3.6
69.07061	6.5
70.06584	1.1
71.01347	2.8
71.04987	36.9
71.19048	0.9
73.02907	5.3
75.04480	5.7
79.05485	8.4
81.03424	1.1
81.07050	28.6
82.07404	0.6
83.04975	15.9
83.08614	3.2
85.02896	80.9
86.03214	0.7
87.04459	2.0
88.91088	0.5
91.03954	6.6
91.05473	9.1
93.07035	29.1
94.52547	0.5
95.00855	0.4
95.01318	20.2
95.04962	2.6
95.08598	53.8
96.08917	0.5
97.02880	10.4
97.06534	0.7
97.10151	1.7
99.00814	2.2
99.04473	1.6
101.02382	1.5
101.06007	1.2
103.03952	2.7
103.05436	0.5
105.04537	0.6
105.07021	27.4
107.08585	39.2
109.02874	1.2
109.06516	1.8
109.10146	34.2
110.10398	0.4
111.04441	12.2
111.08071	13.8
111.11733	0.8
113.02370	3.0
115.03902	0.7
115.05457	0.8
117.06990	3.6
119.08570	42.5
121.06523	0.8
121.10130	28.5
123.00759	1.1
123.04392	0.5
123.08043	1.7
123.11694	8.0
125.02354	0.7
125.05991	0.9
125.09626	1.5
127.03902	6.0
128.06227	0.7
129.05470	23.6
129.06978	1.5
130.07797	0.7
131.03404	1.4
131.08565	13.7
133.10123	29.2
135.08072	0.8
135.11681	18.2
137.05959	0.6
137.09605	1.0
137.13243	1.9
139.03931	0.5
139.07549	2.0
139.11176	2.1
141.01814	52.8
142.07770	1.3
143.08531	5.8
144.09363	1.5
145.04935	5.5
145.10114	41.2
147.06505	12.4
147.07712	1.0
147.11676	31.1
148.12097	0.5
149.09612	1.1
149.13243	34.3
151.11174	1.5
153.09074	1.0
153.12685	0.5
155.08556	1.0
156.09332	1.1
157.04959	0.6
157.10112	10.1
158.10893	2.0
159.02895	10.2
159.08049	0.8
159.11679	32.9
160.12395	0.6
161.13248	29.2
163.06029	9.3
163.07425	1.1
163.11179	1.6
163.14812	10.7
165.07646	1.1
165.09047	1.0
165.12700	1.6
165.16434	0.8
169.08792	0.5
169.10083	2.5
170.10890	1.0
171.11661	12.0
172.12357	0.7
173.13255	24.5
175.11105	0.9
175.14813	16.3
177.03978	2.4
177.09184	0.7
177.12793	1.0
177.16376	17.3
179.10635	1.2
179.14294	0.6
181.09976	0.6
182.10895	0.5
183.02951	0.6
183.11655	3.9
184.12469	1.0
185.13234	10.5
186.14014	0.7
187.14801	35.1
189.12837	2.9
189.16364	43.8
191.10681	1.8
191.14291	1.4
191.17903	3.4
193.12236	2.4
193.15848	2.7
195.11679	1.0
195.17433	1.8
197.13255	5.0
198.14041	1.0
199.05920	0.8
199.14809	13.0
199.16559	1.0
201.16365	43.7
203.10614	0.9
203.14233	1.1
203.17932	11.5
205.12332	2.7
205.15863	11.2
205.19217	0.7
207.13812	6.7
207.17386	8.6
209.13261	1.3
211.14774	4.4
213.16338	13.6
215.14336	2.1
215.17932	7.9
217.12245	3.1
217.15816	2.4
217.19524	2.2
219.13808	9.1
219.17352	6.2
221.15419	2.8
223.14862	1.3
225.16330	3.0
227.17931	7.2
229.15924	1.8
229.19472	3.4
231.13841	2.7
231.17458	1.7
233.15341	12.1
233.18939	1.1
235.16859	3.0
237.16327	1.1
239.17957	3.0
241.19487	4.1
243.13860	0.8
243.17488	0.6
243.20970	2.2
245.15297	3.9
245.19110	2.1
247.16919	23.1
249.18480	1.7
253.19518	1.9
255.08664	2.0
255.21083	1.9
257.15393	2.1
257.22845	0.7
259.16940	12.5
259.20041	0.8
259.20670	0.7
260.17099	0.5
261.18469	1.1
267.21072	2.6
269.06647	1.2
269.22635	1.7
271.16959	1.6
273.09610	1.7
273.18488	5.0
273.21448	0.7
277.17831	3.1
279.21042	1.1
281.22626	2.3
283.17068	0.9
283.24091	0.6
285.18503	3.0
285.21753	0.6
287.07654	1.4
287.20038	6.0
291.19537	1.4
295.24323	1.6
297.18533	1.5
299.20071	4.5
299.23447	0.8
301.21616	1.0
303.19687	0.7
305.08667	4.4
305.20920	1.1
309.11850	2.5
311.20364	0.7
313.21768	3.5
315.23138	0.7
317.20984	0.6
321.08099	1.1
323.09714	1.5
325.21597	1.8
327.23138	5.9
339.09134	0.8
339.23148	2.0
341.24814	3.4
345.24268	2.0
347.27438	0.8
349.28827	1.4
351.18152	1.0
351.22824	0.5
353.24719	1.4
355.26224	0.6
359.25760	0.9
365.19568	1.1
365.24652	1.1
377.32269	0.7
379.26450	0.9
389.31976	4.5
393.27820	1.3
395.29373	11.4
407.33075	19.5
409.34851	0.8
413.30353	3.7
417.31677	1.1
423.32529	12.7
425.34229	4.9
433.30899	0.6
435.32568	77.9
436.33038	1.2
441.33572	9.8
451.32095	1.0
453.33612	100.0
454.33884	2.2
471.34683	53.7
472.34781	1.1
565.34882	1.4
575.34045	1.0
583.35828	0.9
593.34717	1.9
611.35760	6.7
629.36829	5.2
647.37158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99784	0.3
69.03423	3.6
69.07061	4.3
69.97683	1.1
69.98100	0.6
70.06592	2.1
71.01353	2.6
71.04991	33.6
73.02919	5.3
74.09742	0.4
75.04478	4.7
79.05489	6.5
81.03413	1.7
81.07052	19.6
83.01339	0.9
83.04979	17.9
83.08619	1.6
84.08147	0.5
85.02901	73.5
85.06547	0.5
86.06071	0.8
86.09719	0.4
87.04472	1.7
91.03949	6.7
91.05470	6.2
91.06003	0.6
93.07040	17.0
95.01323	17.7
95.04964	2.6
95.08601	43.9
97.02891	9.1
97.06497	2.0
97.10160	1.3
99.00804	2.0
99.04447	1.7
99.08089	0.9
101.02357	1.1
101.06025	1.0
103.03951	3.2
103.05418	0.5
105.04506	0.4
105.07021	14.8
107.04959	0.8
107.08590	24.9
109.02879	1.9
109.06543	1.8
109.10152	27.5
111.04439	12.4
111.08083	7.1
111.11719	0.8
113.02355	3.4
113.06022	0.5
115.03931	1.0
115.05404	0.4
116.10112	0.3
117.05460	0.4
117.07024	2.1
117.83633	0.3
119.08575	24.1
121.06479	1.0
121.10138	18.2
123.00819	0.8
123.04482	0.4
123.08063	5.4
123.11700	6.9
125.05952	0.3
125.09549	0.6
127.03902	5.0
128.06227	0.8
129.05475	20.3
129.06873	1.5
130.07721	0.4
131.03433	1.8
131.08559	7.8
133.06511	0.5
133.10126	20.0
135.08061	1.4
135.11687	17.6
135.49832	0.3
137.02368	0.3
137.05960	0.8
137.09634	0.9
137.13254	1.6
139.03928	0.7
139.11162	2.4
141.01819	48.1
141.06898	0.6
142.07822	1.4
143.08560	5.6
144.09355	0.9
145.04962	5.3
145.06221	0.5
145.10117	19.2
147.06517	10.5
147.08009	1.1
147.11679	16.5
149.09615	10.9
149.13249	15.7
151.03969	0.5
151.07542	1.0
151.11154	1.6
151.14847	0.7
153.12747	0.9
155.08566	1.9
156.09389	1.8
157.10123	14.3
158.10930	0.7
159.02890	9.5
159.08058	2.8
159.11685	37.3
161.09636	2.4
161.13249	14.8
161.14589	0.7
163.06017	9.9
163.11211	0.8
163.14825	5.3
165.01781	0.3
165.07597	1.3
165.12762	1.7
167.07146	0.4
167.08636	0.6
168.09337	0.5
169.08614	2.5
169.10147	5.2
170.10928	2.8
171.06546	0.9
171.07980	0.6
171.11690	9.8
173.09718	1.4
173.13255	14.5
175.11234	1.8
175.14818	9.6
175.72769	0.4
177.03920	2.2
177.05296	0.4
177.09061	0.3
177.12808	1.7
177.16385	7.7
179.10666	0.8
181.05003	0.5
181.10187	1.0
182.10938	1.3
183.11690	5.7
184.12469	0.4
185.09702	1.1
185.13252	16.6
186.14073	0.4
187.11197	1.3
187.14807	12.6
189.07484	0.5
189.09068	0.4
189.12761	4.1
189.16370	16.3
191.10669	0.7
191.14333	0.8
191.17914	1.6
193.08582	1.5
193.10194	0.4
193.12247	0.6
193.15909	2.1
194.10957	0.5
195.10164	0.5
195.11703	2.1
195.17465	2.0
196.12506	1.0
197.09573	0.3
197.13255	6.0
197.14981	0.4
199.11140	0.4
199.14813	9.5
201.12781	2.0
201.16376	14.3
203.10738	0.8
203.14307	5.6
203.17967	5.6
205.12230	1.5
205.15892	5.4
207.10107	1.0
207.11870	0.8
207.13887	1.2
207.17441	6.2
208.12650	0.4
209.13257	2.7
210.14017	0.4
211.11432	0.5
211.14818	6.9
212.15546	0.6
213.03961	0.4
213.12798	0.9
213.16362	4.9
215.10744	0.8
215.14374	2.7
215.17926	5.5
215.19865	0.5
217.12308	2.8
217.15828	6.6
217.19540	1.3
219.11906	0.3
219.13881	1.0
219.17438	2.8
220.12433	0.5
221.11600	0.7
221.13394	0.7
221.18977	0.5
223.14893	2.4
225.12857	0.6
225.16405	2.8
227.14334	0.9
227.17926	2.9
229.12276	1.0
229.15858	3.9
229.19482	2.2
231.13780	5.0
231.17352	0.7
233.15359	3.3
233.19052	0.7
235.13348	1.0
237.07634	0.3
237.16426	2.4
239.17944	2.9
241.12184	0.3
241.15941	1.1
241.19505	1.6
243.13869	3.0
243.17398	1.1
243.21106	1.4
245.15382	3.9
245.17831	0.4
245.18930	0.5
246.32407	0.3
247.13315	0.8
247.16968	1.9
247.20642	0.8
249.14540	2.0
251.17984	1.4
253.15869	0.6
253.19531	1.6
255.08643	2.1
255.13879	1.1
255.17482	1.0
255.21162	0.8
257.15396	7.7
257.18951	1.4
259.17010	1.1
259.20639	0.5
261.14844	7.0
263.16525	1.4
265.19501	1.6
267.17755	0.7
267.21118	1.4
269.06622	1.1
269.15369	1.0
269.19028	0.8
269.22656	0.8
271.16995	1.7
271.20694	0.9
273.09741	1.2
273.14844	1.2
273.18631	0.5
275.16412	14.5
277.19443	0.4
279.21146	1.1
281.22668	1.2
283.16995	1.7
283.20578	1.1
283.24167	1.0
285.06183	0.4
285.18555	1.7
285.21979	0.5
287.07504	1.9
287.16458	2.2
287.20096	0.4
289.17950	3.8
291.10870	0.5
291.21191	0.5
293.22552	0.5
295.16916	0.9
295.20352	0.6
297.18539	1.4
297.22211	0.9
299.16650	0.6
299.19992	0.9
301.17957	3.8
301.25473	0.4
303.19498	5.7
305.08655	5.2
309.11847	2.1
309.18820	0.6
309.22159	0.8
309.25705	0.6
311.20056	1.3
311.23166	0.6
313.18118	1.5
313.21353	0.4
315.19540	3.9
317.20972	0.5
321.08121	0.5
321.25830	1.3
323.09818	0.8
323.19971	0.5
323.27274	0.9
325.21677	1.6
327.19571	0.5
329.21078	3.7
331.23383	0.4
337.21564	0.7
337.25406	0.6
339.09100	0.4
339.23190	0.7
339.26907	2.0
341.21030	1.9
343.22617	4.2
345.25702	0.4
347.27457	0.7
349.25348	0.4
355.22723	1.3
357.24271	2.5
361.29428	0.3
365.19513	1.0
365.28403	2.2
367.26447	1.6
377.32089	0.7
381.24115	0.6
387.30429	1.9
391.26245	0.6
393.27335	1.9
393.31735	1.1
395.25754	0.5
395.33218	0.6
405.23383	0.4
405.31512	10.5
409.27280	0.8
411.28915	9.1
421.30972	1.4
423.32593	20.1
433.31042	8.5
439.32074	9.8
441.33713	2.4
449.30789	0.6
451.32059	92.4
452.32245	1.2
469.33133	100.0
470.33469	1.3
487.34164	6.7
579.36469	0.4
581.35022	1.4
591.32874	0.6
600.13220	0.3
609.33960	1.9
627.35315	9.9
645.36298	0.5
663.37250	0.9
955.67944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	3.8
69.07063	4.2
70.06579	3.4
71.01326	1.7
71.04994	28.3
71.60136	1.6
73.02917	4.9
75.04464	3.4
77.51053	1.0
79.05493	7.9
81.03408	2.3
81.07056	18.5
83.04988	11.5
83.08633	1.8
84.08123	0.9
85.02904	58.0
86.09694	1.5
91.03946	4.1
91.05479	9.2
92.44016	0.9
93.07042	17.7
95.01331	12.1
95.04948	2.5
95.08604	42.9
97.02883	6.4
97.06508	1.1
99.00838	1.0
99.04485	1.4
99.50049	0.9
103.03929	1.8
105.07027	21.9
107.04943	2.7
107.08598	27.5
109.02897	1.0
109.06512	3.6
109.10152	19.8
109.62877	0.9
111.04445	8.5
111.08081	6.1
113.02380	2.6
117.06992	5.0
119.07793	1.4
119.08587	22.1
121.10145	15.6
123.08041	2.3
123.11708	5.4
127.03893	5.0
129.05473	14.8
129.07001	2.7
131.03378	1.6
131.08571	11.2
133.06508	1.9
133.10143	15.9
135.08003	1.0
135.11696	13.6
137.05971	3.5
137.09738	1.0
137.13239	1.9
139.11162	1.5
141.01831	35.0
142.07761	2.4
143.08569	8.1
144.09340	1.5
145.04968	2.9
145.06464	4.5
145.10121	18.6
147.04439	2.1
147.06516	9.8
147.08002	2.2
147.11687	13.9
149.13249	12.4
150.05658	0.9
151.11229	1.6
155.08501	3.0
156.09331	2.6
157.10121	11.0
159.02875	5.8
159.11681	18.2
161.09596	2.4
161.13263	13.1
163.06042	6.4
163.07190	0.9
163.11116	1.4
163.14821	4.2
165.12799	1.6
167.07077	1.6
167.08498	1.4
169.10107	5.0
170.10919	1.5
171.07947	1.8
171.11668	10.0
173.09644	1.5
173.13275	11.0
175.11247	2.3
175.14815	9.4
177.03993	2.1
177.12772	1.8
177.16377	6.8
179.08635	1.3
179.14217	0.9
181.10124	1.6
182.10811	1.2
183.11687	6.6
185.09650	2.1
185.13249	9.3
187.07600	1.1
187.11188	3.0
187.14835	10.8
189.12714	2.4
189.16400	8.9
191.17874	1.1
193.10158	1.4
193.15834	3.3
195.11703	3.4
195.17418	1.1
197.09579	1.0
197.13226	3.8
199.11127	1.5
199.14838	8.2
201.12749	2.4
201.16376	9.7
203.14305	2.6
203.17923	3.8
205.12228	2.3
205.15871	7.6
207.11671	1.3
207.17401	6.1
209.13223	3.8
211.14766	4.9
212.15416	1.0
213.12750	2.7
213.16402	4.7
215.14282	2.3
215.17955	3.4
217.12318	8.0
217.15845	3.8
219.17458	4.4
221.13333	1.7
223.14790	2.0
225.12721	1.1
225.16394	1.1
227.14334	4.3
227.17892	2.4
229.15851	5.7
231.13730	2.2
231.17381	1.7
233.15327	1.6
237.16348	1.5
239.17940	1.9
241.15837	1.3
243.17479	1.5
245.15367	5.4
247.16954	1.4
249.16315	1.3
251.17848	1.8
253.19542	1.4
255.08696	1.7
255.17529	1.6
255.21053	1.1
257.15335	4.3
257.18829	1.7
259.17136	1.0
267.17477	1.1
267.20898	1.8
271.16782	1.8
275.16394	11.0
279.17581	1.3
281.18954	1.2
283.17188	1.3
285.18448	2.9
287.07529	2.2
289.18161	1.6
297.18506	2.1
299.20026	1.5
301.17932	1.4
303.19476	3.4
305.08618	2.9
309.11673	1.2
311.19958	1.6
315.19717	1.8
325.21570	2.1
329.21155	1.9
339.22995	1.8
343.22540	1.4
365.28290	1.3
375.26749	3.0
387.30380	2.0
391.26141	1.2
393.27820	9.0
403.29907	1.8
405.31619	9.2
411.29156	5.1
415.30011	7.9
421.31168	5.1
423.32657	5.1
433.31006	48.7
451.32080	100.0
452.32620	1.1
469.33154	48.9
591.33258	3.2
609.34387	12.7
627.34869	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	971.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92575	1.2
69.03434	7.1
69.07069	6.1
69.31684	9.8
69.32090	2.6
70.06599	2.6
71.01373	2.1
71.04988	14.3
73.02918	11.5
75.04467	2.4
79.05494	8.8
81.03418	3.9
81.07053	26.1
83.04981	6.9
83.08614	3.8
85.02902	78.6
87.04447	2.0
91.03955	22.3
91.05466	8.7
93.07041	25.7
95.01321	23.7
95.04931	1.9
95.08604	55.9
97.02888	21.8
97.06512	2.9
97.10167	2.1
99.00784	1.7
99.04435	2.0
101.02382	1.4
103.03933	3.7
105.07024	27.4
107.04965	3.6
107.08589	35.2
109.02879	3.4
109.06508	2.2
109.10153	40.4
111.04414	4.7
111.08077	5.8
113.02359	4.8
117.07008	3.0
119.08580	27.6
121.10133	25.6
123.00796	2.0
123.11692	8.7
127.03899	16.5
127.20444	1.2
129.05502	11.0
129.06944	1.7
131.08580	15.9
133.09125	1.5
133.10120	23.0
135.11681	17.6
137.13257	3.4
139.11198	2.9
141.01822	69.0
141.07091	1.4
142.07750	1.7
143.08559	8.7
145.04950	19.8
145.10117	26.9
147.06502	4.6
147.07713	1.8
147.11678	24.0
149.13252	21.5
153.12685	1.3
155.08559	1.7
157.10146	11.1
158.10844	1.6
159.02888	13.0
159.11687	27.7
161.13266	17.3
163.06006	30.5
163.14804	9.8
165.12669	2.2
169.10133	5.1
171.11679	7.3
173.13255	16.8
175.14836	14.0
177.03934	7.1
177.16411	8.6
181.10205	2.2
183.11681	6.0
185.13272	8.8
187.14827	22.2
189.12785	3.4
189.16374	21.8
191.17952	1.6
195.11688	1.6
197.13252	5.3
199.14825	8.2
201.16389	25.0
202.16980	1.3
203.14320	3.2
203.17934	8.9
205.15822	7.0
207.13768	4.1
207.17393	7.2
209.13261	3.0
211.14857	5.0
213.16396	9.7
215.17928	6.5
217.15926	3.6
217.19493	2.2
219.13759	3.0
219.17365	2.7
220.17012	1.7
223.14859	1.6
225.16371	3.7
227.17931	5.1
229.15865	2.7
229.19554	2.7
233.15343	6.2
233.19119	1.4
237.16365	2.2
239.18013	3.7
241.19533	3.8
243.17445	2.4
245.15424	1.5
245.18895	1.7
247.16885	10.0
251.17949	1.5
253.19591	2.6
257.15411	3.3
259.14197	1.1
259.16916	24.4
267.21118	3.1
271.16898	5.5
273.18378	8.3
275.16458	3.1
276.79654	1.6
279.21027	1.6
283.20526	1.5
285.18503	10.5
287.20108	8.7
289.18054	1.6
295.24112	2.3
297.18503	2.7
299.20053	5.9
299.23318	1.4
301.21686	1.7
305.08704	1.7
313.21542	7.1
321.08063	3.0
325.21509	2.7
327.23114	4.0
339.23178	2.9
341.24835	3.4
347.27292	2.4
353.24744	1.7
365.24719	1.7
365.28848	1.8
372.77686	1.3
387.30554	2.3
389.32138	2.6
393.27780	2.4
395.29437	13.5
405.31546	12.9
407.33298	9.8
423.32584	25.9
423.41315	1.4
425.34152	1.9
433.30899	3.9
435.32587	100.0
436.33359	1.4
451.26172	2.2
451.32120	22.4
452.59094	1.3
453.33643	83.1
454.33344	1.4
469.33020	13.1
471.34625	3.4
563.33514	2.0
575.33459	2.3
581.34607	2.0
611.35913	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	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	4.1
69.07067	6.4
70.06571	0.8
71.01353	2.2
71.04990	44.2
71.59969	1.3
73.02909	7.3
73.44417	0.7
75.04476	6.1
79.05484	10.5
81.03425	2.6
81.07051	27.4
83.01324	0.7
83.04978	18.5
83.08602	2.8
85.02900	100.0
85.06532	0.9
87.04467	1.7
91.03959	8.5
91.05466	11.5
93.07040	26.1
95.01324	19.5
95.04948	3.7
95.08602	47.5
97.02883	12.9
97.06509	1.6
97.10176	1.1
99.00818	2.2
99.04383	1.5
101.06012	1.4
103.03947	2.6
103.05468	1.0
105.04566	0.8
105.07024	33.7
107.04949	3.5
107.08591	31.5
109.02881	1.9
109.06513	1.7
109.10151	29.5
111.04439	15.2
111.08060	7.5
111.11743	1.0
113.02386	3.2
113.06044	1.1
115.03962	1.2
115.05421	1.1
115.86430	0.6
117.07014	6.3
119.08571	27.4
121.06489	1.6
121.10132	20.1
123.00796	1.0
123.04443	0.7
123.08065	0.9
123.11710	7.7
125.09576	1.1
127.03907	8.3
128.06190	1.6
129.05482	26.0
129.06909	3.9
130.07755	1.3
131.03427	2.9
131.08562	18.3
131.09503	1.1
133.06534	1.2
133.10126	25.0
135.08044	1.1
135.11690	15.4
137.13235	2.6
139.03911	1.1
139.11153	1.8
141.01817	57.6
141.07005	1.8
142.07768	3.1
143.08548	12.9
144.09341	1.8
145.04951	7.2
145.10107	25.6
147.06506	12.7
147.08060	1.3
147.11679	19.9
147.12773	1.4
149.09563	1.5
149.13254	23.7
151.11156	2.2
153.07043	0.9
153.12802	0.8
155.08539	5.2
156.09378	2.6
157.10124	17.1
158.10805	0.8
159.02885	11.6
159.06599	1.2
159.08054	2.4
159.11688	24.6
161.09637	2.5
161.13243	18.3
163.05994	13.1
163.11133	2.4
163.14799	6.5
165.07547	2.2
165.12781	1.6
167.08681	0.7
167.14339	0.7
168.09320	1.2
169.10136	7.3
170.10938	2.7
171.06577	1.3
171.11694	10.0
173.09599	3.3
173.13243	16.5
173.14658	1.0
174.10449	1.1
175.11218	2.4
175.14812	11.7
177.03947	2.9
177.05388	0.7
177.12735	6.2
177.16360	9.0
177.87180	0.7
179.14314	1.4
180.09285	0.8
181.10130	1.6
182.10886	0.9
183.11708	6.3
184.12483	0.9
185.13257	11.8
187.11229	3.5
187.14801	11.3
189.12776	7.5
189.16368	20.3
191.14299	2.0
191.17998	2.2
193.10229	1.0
193.15894	1.3
195.11707	2.0
195.17491	1.3
197.13240	4.3
199.11179	1.3
199.14801	10.3
201.12724	4.0
201.16380	17.5
203.14331	11.1
203.17934	8.2
205.15837	6.8
205.19501	1.1
207.17427	8.4
209.13318	2.6
211.14864	4.5
213.12817	1.6
213.16389	4.2
215.14311	3.4
215.17854	5.3
217.15894	10.8
217.19435	1.3
219.17458	5.3
221.13377	0.8
221.19025	0.9
221.59944	0.8
223.14890	2.1
225.16344	3.7
227.14366	2.4
227.17989	3.0
229.15860	9.2
229.19572	2.7
231.17448	1.7
237.16359	0.8
239.18008	2.9
241.15820	2.5
241.19559	2.4
243.17404	7.3
243.21106	2.0
245.19084	1.8
247.20547	1.3
251.17973	1.0
253.16060	1.1
253.19531	2.0
255.08693	3.2
255.17506	2.5
257.19022	5.3
259.20676	0.8
265.19568	1.5
267.17514	1.3
267.21002	2.2
269.06714	1.7
269.19034	4.5
269.22787	1.0
271.20651	1.3
273.09879	1.2
275.16333	7.4
279.20917	0.9
281.19016	1.0
283.20612	3.1
283.23593	0.7
287.07663	2.8
287.16470	1.4
289.17856	3.6
295.20618	2.1
297.22165	2.7
299.16574	1.3
301.17996	2.4
303.19632	2.1
305.08615	5.9
309.11945	2.0
309.22269	1.2
311.23621	1.5
313.18164	1.3
315.19653	1.9
323.09845	1.0
323.23737	1.0
329.21097	1.8
341.21381	1.1
343.22644	4.1
347.27377	1.0
349.25076	1.0
355.22498	1.0
357.24335	2.5
363.26935	2.0
365.19785	0.9
365.28336	9.7
377.32199	1.8
387.30579	2.5
393.31412	2.0
395.33087	1.4
403.30087	0.8
405.31512	45.2
411.28915	6.2
423.32550	74.1
424.33023	0.9
426.07413	0.9
439.32193	1.9
451.32056	68.3
453.33508	1.2
469.33121	48.0
500.03311	0.9
563.33466	1.9
569.38379	1.3
581.34656	16.1
599.35693	2.4
600.86871	0.8
609.34424	1.0
627.35205	3.8
933.47406	0.8
998.15680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67570	0.3
68.99795	0.4
69.03427	3.0
69.07067	4.7
70.06585	0.9
71.01366	1.8
71.04990	32.9
71.59502	0.4
73.02912	5.2
75.04475	4.1
77.03912	0.5
79.05485	7.1
81.03425	1.3
81.07056	20.3
81.80141	0.3
83.01359	0.5
83.04979	13.2
83.08612	1.9
85.02901	70.7
85.06538	0.3
86.09708	0.6
87.04467	1.4
91.03952	6.0
91.05468	8.3
91.06802	0.2
93.07040	21.4
95.01325	17.5
95.04970	2.1
95.08601	43.9
97.02891	9.5
97.06548	0.9
97.10164	1.2
99.00797	1.6
99.04458	1.4
101.02394	0.8
101.06018	0.6
103.03933	2.4
103.05481	0.4
105.07027	21.2
107.04972	1.1
107.08588	25.4
109.02875	1.3
109.06528	1.3
109.10150	27.1
111.04437	15.8
111.08068	4.2
111.11670	0.7
113.02363	2.5
113.06007	0.5
115.03938	0.6
115.05447	0.8
117.07018	4.7
118.07824	0.3
119.04892	0.3
119.08575	21.3
121.06523	0.8
121.10139	18.0
123.00775	0.6
123.04472	0.5
123.08065	1.1
123.11700	6.6
123.12553	0.4
125.05971	1.3
125.09628	0.6
127.03912	5.8
128.06219	1.0
129.05476	18.3
129.06894	2.9
130.07755	0.6
131.03435	1.4
131.08563	13.3
133.06503	0.6
133.10132	18.3
135.04436	0.6
135.08049	0.8
135.11688	12.0
137.02423	0.4
137.05952	1.4
137.09607	0.5
137.13269	1.9
138.19295	0.3
139.03920	0.5
139.07509	0.5
139.11212	1.5
141.01820	48.1
141.06967	0.8
142.07814	1.6
143.08556	9.3
144.09375	1.2
145.04973	5.1
145.06367	0.6
145.10114	20.9
147.06514	9.3
147.07904	0.7
147.11685	14.5
149.05968	2.7
149.09671	0.5
149.13249	21.6
150.13652	0.4
151.07530	1.4
151.11209	1.4
151.14825	0.3
153.12752	0.7
155.08546	2.4
156.09305	1.8
157.10120	12.8
158.10905	1.0
159.02876	10.5
159.08049	0.8
159.11685	20.0
160.12225	0.4
161.09641	1.0
161.13242	12.1
163.06032	8.9
163.07527	1.9
163.11191	1.2
163.14833	3.5
165.07686	0.7
165.09125	1.0
165.12720	0.4
167.08496	0.7
168.09377	0.5
169.05072	0.4
169.10106	4.5
170.10960	1.6
171.06650	0.4
171.08160	0.7
171.11679	7.8
171.13113	0.6
172.12376	0.4
173.09628	1.0
173.13252	11.4
175.07549	0.7
175.11174	1.1
175.14824	8.5
177.03947	2.7
177.09085	0.8
177.12837	1.8
177.16371	7.6
179.14272	0.9
181.10132	1.0
182.10924	0.9
183.02927	0.3
183.11679	4.0
184.12440	0.4
185.09686	0.8
185.13248	11.9
187.11179	1.3
187.14815	9.3
187.16412	0.6
189.07613	0.4
189.09102	1.4
189.12749	2.0
189.16370	18.3
191.10699	1.8
191.14325	0.7
191.16292	0.3
191.17844	1.7
193.12300	0.4
193.15875	1.0
194.10901	0.4
195.11673	1.7
195.17490	1.1
196.12532	0.7
197.13266	3.7
199.11205	0.7
199.14815	11.9
201.09029	0.6
201.12738	1.5
201.16371	16.1
202.17055	0.4
203.10632	1.9
203.14331	3.4
203.17961	3.3
205.12219	2.6
205.15880	4.3
207.08089	0.3
207.10005	0.4
207.11815	0.4
207.13780	0.3
207.17438	7.0
207.19356	0.5
209.13319	2.3
211.11508	0.3
211.14818	3.7
212.15523	0.4
213.07535	0.5
213.12877	1.5
213.16362	4.3
215.10683	1.1
215.14487	1.5
215.17975	3.9
217.12334	2.3
217.15855	3.8
217.19453	0.5
219.13834	3.3
219.17372	3.4
221.13391	0.7
223.13229	1.0
223.15169	1.5
225.12796	0.6
225.16446	1.7
227.14322	2.0
227.17915	3.6
229.12314	0.7
229.15836	2.1
229.19460	1.9
231.08595	0.5
231.13789	5.5
231.17474	0.8
233.11736	0.5
233.15364	2.2
233.18993	0.5
235.13060	1.9
237.16609	1.5
239.14252	0.9
239.17989	1.8
241.07146	0.4
241.12270	0.6
241.15932	1.0
241.19569	1.3
243.13872	1.4
243.17419	0.4
243.21129	0.8
245.15375	6.8
245.19089	0.8
247.13168	0.5
247.16943	0.6
249.14734	2.6
251.16177	0.5
251.18323	0.4
253.19574	1.1
255.08665	1.8
255.13728	0.3
255.17429	0.6
255.20987	1.0
257.15381	2.6
257.18988	0.6
259.08182	0.4
259.16998	0.6
261.14743	1.5
263.16315	5.5
267.17682	0.3
267.21091	1.6
269.06473	1.0
269.15460	1.0
269.18781	0.5
269.22720	0.7
271.16934	0.9
271.20575	0.6
273.09622	0.8
273.14679	1.7
275.16382	22.5
279.21042	0.4
281.19006	0.3
281.22693	0.5
283.16913	0.7
283.20554	0.6
285.06271	0.4
285.18518	1.1
285.21927	0.5
287.07712	1.5
287.16464	4.0
289.17978	6.5
291.10880	0.4
295.24036	0.6
295.42142	0.3
297.18463	0.6
297.22021	0.4
299.16461	1.7
299.20016	0.9
299.23236	0.4
301.17972	7.1
301.21396	0.4
303.19485	8.0
305.08643	4.7
309.11771	1.9
311.20053	0.6
313.18002	2.6
315.04965	0.5
315.19534	5.2
317.21127	1.2
321.08093	0.5
323.09879	0.9
323.19931	0.6
325.21564	0.5
327.19580	0.8
329.21075	6.1
337.21674	0.4
339.09344	0.5
341.21167	2.1
343.22635	4.9
343.26727	0.4
353.20914	0.5
355.22626	2.5
357.24316	3.2
365.19617	0.3
365.28427	0.7
367.22644	0.8
369.24310	1.2
371.25751	0.4
381.24326	1.3
383.25876	0.4
387.30484	1.2
393.27725	0.9
393.31711	0.9
395.25699	0.7
399.25320	0.4
405.31516	6.6
409.27271	1.4
411.28903	12.5
415.30002	0.3
421.31107	0.9
423.27365	0.5
423.32620	6.2
433.31018	4.0
439.32074	15.8
441.33664	0.5
449.30618	0.5
451.32062	97.2
452.32571	1.0
453.33389	0.4
469.33127	100.0
470.33249	1.1
487.34183	12.6
488.34387	0.3
510.35583	0.3
545.32477	0.3
547.34033	0.4
563.33472	0.5
581.35150	0.7
591.32983	0.9
597.35028	0.6
609.34497	1.8
627.35236	10.2
628.36627	0.3
645.36719	0.6
663.37250	1.0
885.72845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.6
69.07066	6.6
70.06577	1.2
71.01344	2.8
71.04988	37.2
73.02901	7.6
75.04485	4.8
79.05486	6.5
81.03401	2.3
81.07050	22.5
83.01342	1.4
83.04974	20.9
83.05451	1.3
83.08615	2.5
85.02899	92.7
86.06058	0.8
87.04458	1.4
91.03951	5.9
91.05463	8.4
93.07041	20.9
95.01324	19.1
95.04966	2.7
95.08598	44.5
97.02885	11.0
97.06509	1.7
97.10161	0.9
98.20692	1.2
99.00811	2.5
99.04456	1.7
101.02370	1.4
101.06013	1.1
103.03931	2.3
103.05471	0.8
105.07018	20.4
107.04964	2.0
107.08586	26.3
109.02889	2.4
109.06509	2.2
109.10148	25.8
109.16690	0.6
111.04440	16.7
111.08068	9.4
113.02364	2.7
115.03924	1.1
117.07014	2.8
119.08568	28.1
120.08092	0.8
121.06500	1.1
121.10136	22.3
123.04448	1.0
123.08062	6.2
123.11687	8.6
125.09633	1.1
127.03918	7.0
129.05473	26.3
131.03395	2.2
131.04851	0.6
131.08560	9.0
133.10121	24.6
135.08029	2.0
135.11684	15.1
137.06018	0.8
137.13220	1.7
139.03882	0.7
139.11180	2.8
141.01817	50.4
142.07732	1.2
143.08557	5.0
144.09354	0.9
145.04942	7.4
145.10112	18.8
147.06523	12.8
147.07959	1.0
147.10492	1.0
147.11673	19.5
149.05946	0.7
149.09621	3.0
149.13246	23.5
151.07536	1.3
151.11215	1.2
155.08545	1.6
156.09326	2.0
157.10107	12.1
159.02864	9.8
159.04086	0.8
159.08060	1.2
159.11678	29.8
160.12175	0.7
161.09645	5.0
161.13252	21.3
163.06013	9.6
163.11252	1.7
163.14818	8.7
165.12730	0.8
165.72900	0.6
169.08597	3.0
169.10132	6.5
170.10922	2.4
171.06583	1.3
171.07999	1.4
171.11676	18.2
172.12515	0.9
173.09677	2.1
173.13242	17.0
173.14648	1.0
175.11247	3.2
175.14815	13.6
177.03943	2.5
177.09148	0.8
177.12724	2.0
177.16370	12.3
179.10634	1.6
179.14302	0.7
181.10155	1.4
183.11696	5.9
185.13246	12.9
187.11176	1.8
187.14799	10.6
189.09175	1.2
189.12791	4.1
189.16370	14.5
190.83231	0.7
191.10657	0.7
191.14293	1.4
191.17993	2.6
193.08586	1.9
193.10178	1.0
193.15912	1.2
195.10167	1.0
195.11740	2.3
195.17461	1.4
197.13261	5.6
199.11168	1.8
199.14792	11.2
201.12808	1.7
201.16367	14.3
203.10735	1.3
203.14314	8.7
203.17934	8.9
205.12276	1.9
205.15834	5.4
207.10095	3.1
207.13768	0.9
207.17421	6.3
209.13290	2.9
211.14799	6.9
211.57268	0.6
213.12694	0.7
213.16336	4.5
215.10777	1.2
215.14378	2.4
215.17906	10.8
217.12257	2.6
217.15907	5.5
217.19466	1.7
219.13823	2.7
219.17377	4.0
221.11633	0.8
221.15349	1.0
221.19136	1.3
223.12973	0.8
223.14844	1.9
225.16399	2.7
227.17957	2.2
229.12273	1.1
229.15883	2.2
229.19600	2.0
229.27121	0.6
231.13802	6.6
233.11618	1.0
233.15384	3.4
233.19009	3.6
235.13292	1.8
237.16489	2.7
239.17953	2.1
241.15904	1.1
241.19554	1.8
243.13774	3.0
243.17426	1.0
243.21146	1.2
245.15384	5.7
247.13283	0.9
247.16983	2.5
249.14622	3.2
253.19621	1.6
255.08665	2.7
255.13916	0.8
255.17313	1.6
255.21109	1.6
257.15335	5.2
259.17084	0.8
261.14859	2.1
263.16211	3.9
265.19510	1.3
266.12848	0.7
269.06616	2.0
269.15509	0.7
269.22552	1.4
271.17078	2.0
273.09644	1.5
273.14780	0.7
273.22073	0.7
275.16406	11.7
281.22827	0.9
283.16953	1.9
285.18546	1.6
287.07635	3.0
287.16428	1.4
289.17957	6.0
295.16922	1.0
297.18430	1.9
297.21613	0.8
299.19983	1.1
301.18011	4.0
303.19388	3.2
305.08713	6.1
309.11777	2.8
311.20093	1.5
313.18103	1.9
315.19507	2.9
321.08118	0.9
323.09680	0.9
323.20148	1.1
325.21643	2.2
329.21097	1.8
331.24255	1.0
341.21100	1.4
343.22665	2.2
355.22485	1.0
357.24091	1.5
365.19467	1.4
379.20932	0.9
387.30447	1.4
393.27768	3.3
405.31689	4.9
411.28894	17.4
421.31021	2.4
423.32681	4.4
433.30975	12.7
439.31982	20.8
441.33914	1.4
449.30499	1.1
451.32043	84.4
452.32486	1.2
453.33658	1.2
469.33112	100.0
470.33435	1.1
487.34705	0.8
581.34119	1.2
609.34265	2.6
627.35297	10.3
898.54089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	3.8
71.07368	6.3
71.60941	4.5
86.09704	49.4
98.98428	3.9
104.10746	100.0
116.23528	2.1
125.00005	25.0
177.65128	2.2
184.07336	97.1
184.08992	4.8
186.96806	3.0
213.86739	2.3
241.97095	2.7
313.27332	9.4
314.27637	4.9
504.34393	10.5
522.35571	99.3
697.66046	2.6
727.98993	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03388	3.0
69.07066	17.2
71.04964	3.7
71.21268	2.4
73.02891	3.7
79.05489	50.9
81.03408	4.7
81.06574	3.4
81.07052	66.8
83.04961	2.2
83.08617	10.3
85.02885	14.0
85.06527	3.7
91.03925	5.7
91.05472	42.2
93.07040	60.0
95.04945	7.2
95.08598	57.7
97.02872	7.2
97.06494	4.5
97.10164	4.2
99.08090	2.3
105.07019	36.5
107.08594	37.2
109.06514	4.1
109.10146	21.1
111.08060	3.5
113.09660	2.0
117.07022	12.7
119.08575	32.7
121.10131	33.9
123.08046	5.2
123.11701	6.2
127.03890	2.9
129.06966	5.6
131.08556	21.1
133.10124	24.4
135.11700	25.8
137.09634	2.7
137.13187	1.7
143.08533	5.1
145.04900	3.1
145.10123	17.3
147.11671	21.2
149.09639	2.4
149.13254	12.9
157.10097	4.5
159.11665	15.7
161.13245	15.4
163.05945	2.7
163.14673	2.0
171.11656	5.3
173.13242	11.7
175.14833	4.8
177.12721	2.2
183.11713	2.4
185.13214	6.6
187.14862	12.3
199.14819	4.2
201.16293	2.0
205.15923	3.8
213.16333	2.0
215.17854	2.1
221.18907	1.8
221.29150	2.0
231.21227	2.6
241.19528	10.7
243.21123	2.3
257.19040	3.1
259.20560	29.6
261.22134	7.1
277.21570	19.2
293.21182	2.3
299.59808	1.5
333.24197	14.4
335.25763	100.0
337.27319	2.2
351.25262	45.0
497.30725	2.0
515.36963	1.7
529.38623	4.8
537.41895	2.0
593.45367	3.5
611.46661	54.7
612.47064	2.7
763.42896	1.8
970.58191	27.2
971.57123	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.5
69.03413	0.3
69.07064	17.6
70.06578	0.7
71.04983	0.3
71.08628	4.0
73.02910	0.2
73.06546	0.3
75.04478	0.3
79.05490	2.1
81.03397	0.3
81.07049	4.0
83.04977	0.4
83.08612	16.5
85.06551	0.3
85.10177	2.0
86.09680	0.4
91.05454	0.5
93.07032	2.5
95.04942	0.3
95.08607	3.0
97.06519	1.7
97.10162	12.2
98.21502	0.4
98.98458	6.1
106.70884	0.2
107.08582	2.2
109.10140	1.3
110.10429	0.2
111.08070	0.8
111.11711	3.3
115.07503	0.3
116.99473	0.3
120.08112	0.2
121.10132	2.7
123.11689	0.7
125.09605	0.6
125.13242	0.7
134.54866	0.2
135.11694	2.0
137.13206	0.2
139.11148	0.4
149.13235	1.0
153.12675	0.2
155.01036	3.4
163.14719	0.5
173.02098	0.9
208.72696	0.2
219.21100	0.4
229.04784	0.4
237.22127	0.6
247.05792	0.5
311.25772	100.0
312.26062	1.7
335.25543	0.2
391.22299	0.3
447.25073	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	959.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.0
69.03429	3.3
71.59636	1.2
73.02935	3.3
79.05494	1.6
81.03436	0.9
81.07058	2.1
83.20980	0.7
85.02899	4.9
91.03965	2.5
93.07044	1.9
95.08626	1.9
97.02888	5.0
97.43001	0.8
99.04475	1.3
101.02410	1.1
105.07046	1.0
106.42798	0.7
107.08601	1.3
127.03918	1.4
185.04089	0.8
203.05281	0.8
238.73669	0.7
243.08511	1.2
291.64047	0.7
347.09509	1.5
365.10681	1.0
405.13669	4.8
519.29279	5.3
526.60852	0.7
658.22327	0.8
681.34424	7.6
893.27722	0.8
918.88214	0.7
924.38452	0.8
959.56976	100.0
960.57196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	15.4
69.03433	8.9
69.06773	0.9
69.07072	10.3
69.82002	5.7
71.01344	1.6
71.04978	5.1
73.02910	11.7
77.03967	0.8
79.05487	7.8
79.43757	0.8
81.03401	3.9
81.07053	29.4
83.01319	1.0
83.04974	2.7
83.08612	7.1
85.02901	74.5
86.03214	2.0
87.04445	1.1
91.03949	29.0
91.05463	8.9
93.07041	25.6
95.01324	27.3
95.04984	1.2
95.08602	72.0
96.08970	0.9
97.02891	27.7
97.06549	1.7
97.10162	3.6
98.76319	0.8
99.00824	1.9
99.04441	3.1
99.08046	1.5
101.02378	1.4
103.03924	4.4
103.05438	1.0
105.07026	25.8
107.08591	43.0
109.02866	3.4
109.06517	2.1
109.10151	56.8
111.08077	11.5
111.11691	2.8
113.02347	5.0
115.03918	2.8
117.07040	2.3
119.08578	37.5
121.10142	38.6
122.10410	1.5
123.00752	1.5
123.11716	16.0
125.09613	2.8
127.03910	21.2
129.05453	1.7
129.06975	1.0
131.03394	2.9
131.08551	10.6
133.10126	35.8
135.08125	0.9
135.11685	29.9
137.09625	1.1
137.13234	5.9
139.11186	5.4
141.01820	82.5
141.07030	0.8
142.02176	1.8
143.02313	1.0
143.08540	2.7
145.04959	27.8
145.10120	15.6
146.10471	1.3
147.11684	27.1
149.13251	24.0
150.13554	1.7
151.11186	2.0
151.14859	1.1
157.10127	3.6
159.02885	16.8
159.11693	20.0
160.12071	1.2
161.13254	27.9
163.06012	45.9
163.11150	2.2
163.14822	19.1
165.12686	4.1
169.10112	0.9
171.11658	4.6
173.13283	13.2
175.14828	21.6
177.03951	6.3
177.12762	1.6
177.16386	19.1
179.17958	1.3
181.07121	1.6
183.11659	1.6
185.13252	3.7
187.14830	13.3
188.15181	1.4
189.16393	21.7
190.16714	1.0
191.14296	2.3
191.17976	10.0
193.15843	4.8
195.17453	7.2
199.14828	4.9
201.16376	19.3
203.14230	1.2
203.17949	36.3
204.18274	1.0
205.15820	7.7
205.19582	2.6
207.17410	9.9
211.14705	1.1
213.16360	3.8
214.16734	1.0
215.17961	15.1
217.15921	2.8
217.19508	21.9
219.17430	11.7
219.20934	1.5
221.19017	11.1
225.16295	1.4
227.17972	5.5
229.19499	17.7
231.17447	2.4
231.21025	3.3
233.19058	10.2
235.20541	1.7
241.19485	4.6
241.26007	0.9
243.21130	5.7
245.18939	4.4
247.20593	9.6
255.21004	4.2
257.18704	1.0
257.22617	6.2
259.20566	1.8
261.22156	3.8
267.21048	1.9
269.22595	4.8
271.24182	1.9
273.22079	2.7
275.23721	3.0
281.22681	1.2
283.24213	3.0
285.05963	1.3
285.22144	1.5
287.23770	2.7
295.24203	1.8
297.25742	3.1
301.25381	1.1
309.26044	1.0
311.27362	1.4
313.25308	1.8
315.26654	4.5
321.08160	6.6
325.11176	1.9
327.26849	1.3
329.28265	2.7
339.09152	2.8
351.17908	1.2
351.30518	1.3
365.32022	6.3
369.31665	1.2
383.33008	8.4
393.35046	1.6
405.35150	16.8
411.36041	2.4
423.36206	100.0
424.36526	1.4
435.32339	1.8
436.32990	3.1
437.33249	3.7
438.33478	1.2
441.37265	92.0
453.33450	1.9
454.34088	1.7
455.34146	2.7
456.34589	2.0
581.38501	9.3
599.39410	17.9
643.33881	1.0
826.95105	1.1
959.47021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	13.4
67.98151	0.6
69.03420	4.4
69.07065	10.9
70.06571	0.8
71.01343	2.6
71.04992	44.9
71.08631	0.7
73.02913	7.9
75.04488	5.1
79.05486	8.4
81.03409	2.3
81.06566	1.5
81.07053	28.9
83.04984	17.0
83.08609	5.6
85.02901	93.1
85.06540	1.5
85.66924	0.7
87.04459	2.1
91.03958	7.7
91.05476	8.2
93.06453	1.5
93.07037	22.7
95.01326	22.9
95.04961	2.4
95.08601	62.0
97.02891	10.1
97.06537	1.7
97.10162	2.9
99.00814	1.4
99.04436	1.5
99.08083	1.4
101.02389	2.1
101.06003	1.0
103.03933	3.0
103.05535	0.8
105.07028	22.0
107.04935	0.8
107.08588	42.6
109.02863	1.4
109.06535	2.0
109.10151	43.5
111.04436	11.7
111.08085	12.3
111.11716	1.1
113.02364	2.6
113.06014	1.0
115.03933	1.6
117.07020	3.5
119.08582	30.8
121.06502	1.7
121.10135	32.6
123.00768	1.3
123.08081	1.6
123.11700	15.2
125.09637	3.5
127.03922	7.7
129.05475	26.1
129.06917	1.2
131.03394	1.9
131.08563	8.2
133.10118	30.6
135.08051	1.3
135.11690	28.6
137.09613	1.8
137.13280	4.0
139.11176	5.0
141.01820	61.0
143.08566	3.3
144.09305	0.9
145.04951	6.3
145.10112	17.7
147.06517	14.2
147.11679	24.8
149.09628	2.0
149.13258	25.3
151.03877	0.8
151.11169	4.8
153.12746	1.1
156.09373	0.9
157.10158	6.2
159.02905	13.0
159.11684	22.4
160.12486	1.0
161.13249	24.1
163.06024	12.6
163.11191	2.9
163.14818	12.1
165.07559	1.6
165.12788	2.3
165.16339	1.1
169.10141	1.7
171.06544	1.1
171.11682	6.6
173.13261	14.2
175.11209	1.1
175.14810	18.6
177.04001	3.5
177.12717	1.9
177.16373	14.3
183.11647	1.5
184.12456	0.9
185.13258	5.0
186.13971	0.8
187.14812	12.6
189.12694	1.6
189.16370	18.4
191.14291	2.1
191.17976	8.2
193.15860	8.0
195.17430	5.7
197.13260	2.1
199.14764	4.8
201.03925	1.2
201.16374	22.0
201.42178	0.6
203.14307	1.9
203.17953	20.7
205.15834	8.5
205.19539	1.9
207.17412	8.9
211.14821	2.0
213.16364	6.5
215.17958	13.3
217.15913	3.0
217.19472	5.7
219.17418	15.0
221.19040	2.8
225.16393	2.4
227.17880	6.5
229.19562	4.2
231.17493	2.9
231.21068	1.3
233.19014	5.7
235.16948	0.7
235.20364	0.7
237.18497	2.9
239.17947	1.7
241.19527	2.5
243.17538	1.8
243.21068	3.1
245.18985	7.9
247.20605	1.4
249.18588	2.2
251.20100	1.6
253.19505	1.6
255.08615	2.6
255.21103	2.8
257.19113	1.2
257.22504	1.3
259.08044	0.8
259.20636	2.2
261.22153	1.3
263.20084	11.8
265.19519	1.0
267.21036	2.1
269.06696	1.5
269.22672	2.0
271.20551	2.0
271.24231	1.3
273.09622	1.5
273.22150	2.3
275.19998	1.0
277.21646	2.5
281.22580	1.6
283.20557	1.3
283.24219	0.9
285.05881	1.0
285.22098	1.9
287.07565	3.0
287.20206	0.8
289.21695	3.1
291.23285	3.1
295.24252	1.9
297.25763	1.2
299.23669	2.4
301.21811	0.9
303.23199	1.6
305.08643	5.6
309.11707	4.1
311.23746	1.4
311.27405	1.5
313.25336	2.4
317.24860	1.6
321.08139	2.0
323.09732	1.5
327.26813	2.1
329.28375	1.3
331.26303	4.1
345.27850	1.8
351.18073	1.7
363.30429	2.4
365.19458	1.5
381.31506	8.8
391.33563	1.1
393.35239	1.5
399.32663	6.2
403.33636	5.6
409.34683	4.9
410.34219	0.8
411.36261	2.8
421.34616	50.4
427.35791	2.4
439.35706	86.2
440.36188	1.1
457.36752	100.0
458.37430	1.6
569.38879	1.0
579.36713	4.3
597.37872	8.5
615.38873	15.3
633.39410	1.0
847.76282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	16.2
69.03419	5.5
69.07055	11.7
69.57829	7.1
69.58251	5.0
70.06587	2.0
71.01336	4.1
71.04993	51.9
73.02925	9.6
73.03278	2.2
75.04463	6.1
77.03901	1.8
79.05479	12.7
81.03423	2.1
81.07056	44.2
83.04979	17.1
83.08615	7.4
85.02904	95.8
87.04456	3.0
91.03964	9.9
91.05479	11.6
93.07042	32.7
95.01323	18.2
95.08608	68.9
97.02897	9.8
97.06544	12.5
97.10160	4.6
99.00800	1.9
101.02371	2.0
103.03920	4.3
105.07033	43.4
107.08592	51.7
109.06503	3.2
109.09452	3.1
109.10153	46.8
111.04437	15.5
111.08074	14.6
113.02345	4.3
117.07017	2.9
119.08579	53.5
121.10143	38.9
121.11009	2.6
123.08054	3.1
123.11701	14.8
125.09605	4.1
127.03851	8.4
129.05486	34.3
129.06960	1.9
131.03403	1.6
131.08563	14.0
133.10133	37.0
135.11696	27.6
137.13249	3.7
139.11162	3.7
141.01830	61.6
143.08527	7.0
145.04951	7.4
145.10118	34.7
147.06523	20.6
147.11693	30.7
149.13260	48.2
149.14285	1.1
151.11124	2.5
157.10121	9.9
159.02901	11.9
159.11696	43.7
159.13008	2.9
161.13255	33.2
163.06001	11.8
163.14841	11.5
165.12759	3.7
169.10088	2.2
171.11655	9.4
173.13293	21.5
175.14821	24.3
177.03949	3.3
177.16374	13.7
179.14255	2.6
183.11700	4.4
185.13284	9.8
187.14830	18.2
189.16367	40.0
191.14349	1.8
191.17953	8.8
193.15881	12.3
195.17444	1.9
197.13173	4.4
199.14821	7.6
201.16385	21.6
203.14360	2.3
203.17975	18.2
205.15883	26.0
207.17470	23.9
211.14690	2.7
213.16411	11.5
215.17947	17.1
217.15826	4.8
217.19499	8.6
219.17450	14.6
221.15413	2.4
221.19043	3.9
225.16403	5.1
227.17986	7.0
229.15807	2.5
229.19537	5.1
231.17392	9.8
233.19009	18.3
235.20609	1.9
239.17854	2.0
241.19493	4.8
243.17407	2.4
243.21013	2.9
245.19019	14.9
247.20616	3.2
249.18404	2.2
253.19550	2.8
255.08588	3.7
255.21115	4.6
259.20621	6.7
263.20016	3.7
267.21021	1.8
269.22479	2.4
273.22098	4.5
283.23975	1.8
285.21979	6.0
287.07501	2.9
287.23587	2.4
293.22748	2.1
295.24030	2.6
305.08615	6.5
309.11856	2.8
313.25284	2.6
323.09897	2.3
327.26868	2.2
339.09073	2.1
351.18134	2.7
363.30502	5.5
365.19690	3.9
381.31491	12.7
399.32346	4.1
403.33588	9.6
409.34579	11.5
421.34641	64.8
427.35611	5.7
439.35736	100.0
440.35852	3.4
457.36780	74.0
458.36838	2.1
525.50940	1.8
579.36584	6.1
590.55878	1.8
597.37799	17.6
615.38928	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	959.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	11.9
69.03423	3.1
69.07063	7.6
70.03281	4.4
70.06593	8.3
70.65162	1.0
71.01354	2.6
71.04990	33.5
72.08154	1.9
73.02921	6.2
75.04472	3.7
76.75616	1.0
79.05479	10.1
81.03415	2.5
81.07059	32.9
83.04974	12.5
83.08610	3.8
84.08149	1.4
85.02903	82.4
86.09721	2.3
87.04459	1.7
91.03946	8.1
91.05476	10.8
93.07039	29.8
95.01322	18.4
95.04980	2.7
95.08605	55.2
97.02891	12.4
97.06516	1.9
97.10149	2.1
99.00808	2.7
99.04456	2.6
101.06063	1.5
103.03940	2.4
103.05476	1.5
105.07027	29.5
105.76584	1.1
107.04899	1.8
107.08593	36.5
109.02901	1.5
109.06522	2.7
109.10151	35.7
110.07189	1.4
111.04459	10.6
111.08072	9.6
111.11705	1.3
113.02383	3.0
114.19276	1.2
115.05488	1.0
117.07033	4.8
119.08582	31.1
120.08860	1.2
121.06509	1.7
121.10137	22.4
123.08073	1.7
123.11699	10.4
127.03905	8.1
129.05489	25.6
129.06989	1.7
131.03394	3.0
131.08575	16.8
131.09534	1.9
133.10127	31.7
135.11691	17.7
137.05960	2.0
137.13278	3.0
139.07547	2.2
139.11188	1.8
141.01823	52.5
142.07762	2.7
143.08603	10.0
144.09358	1.9
145.04935	7.9
145.10120	32.9
147.04495	1.7
147.06543	11.6
147.07777	1.7
147.11690	32.0
149.09613	1.7
149.13258	33.3
151.11169	1.9
151.14891	1.1
155.08609	1.7
155.13768	1.1
156.09315	1.2
157.10136	12.8
158.10930	2.4
159.02896	8.5
159.08066	2.2
159.11691	30.8
161.09650	1.8
161.13246	22.0
163.06024	12.2
163.07379	1.9
163.11153	1.6
163.14880	7.1
165.07729	1.1
165.09058	2.1
165.12814	2.2
167.10698	1.0
169.04817	1.2
169.10101	2.6
171.11650	9.8
173.09633	2.7
173.13269	27.2
175.11157	2.2
175.14856	14.7
177.03966	4.0
177.09114	3.8
177.12738	2.4
177.16379	15.5
178.77254	1.1
179.10712	4.1
183.11722	4.1
185.13271	10.0
187.14819	24.3
187.16431	1.8
189.16380	31.0
189.18062	1.7
191.10577	5.0
191.14313	2.2
191.18016	4.3
193.12241	9.9
193.15833	2.0
195.17433	2.0
197.13232	5.5
199.11044	1.2
199.14838	12.9
201.16374	17.8
203.10735	3.2
203.14272	1.3
203.17946	9.4
205.12285	9.7
205.15865	8.7
207.13878	3.1
207.17421	9.3
211.14836	4.0
213.16313	7.9
215.14397	2.2
215.17955	6.0
217.12344	5.0
217.15916	3.0
217.19482	6.1
219.13799	9.0
219.17366	5.9
221.15340	7.3
223.14844	2.3
225.16373	3.1
227.17961	6.0
229.19556	4.6
231.13799	4.6
233.15376	24.2
239.17947	2.3
241.19609	2.4
243.13817	3.3
245.15411	9.6
245.18999	2.3
247.16905	1.5
247.20616	1.6
249.14819	2.4
253.19586	2.2
255.08755	1.9
255.21121	1.8
257.15237	2.4
259.16946	3.5
263.16479	5.7
267.21182	1.2
269.22571	1.3
271.16934	3.9
273.18503	4.7
277.17926	2.0
279.21152	1.3
283.16977	1.6
285.18484	3.0
287.07562	2.2
287.19907	1.3
295.24231	1.8
299.20047	2.6
305.08588	4.8
309.11777	2.5
311.20193	1.9
313.21622	2.1
327.23306	1.5
331.22470	1.6
375.30261	1.6
379.26309	1.8
381.27835	9.6
393.31448	8.2
397.12000	1.2
399.28925	4.9
403.29852	1.4
405.34961	3.6
409.31058	8.1
411.32800	1.5
421.31024	66.1
423.36340	13.2
427.31989	12.6
439.32077	100.0
441.37039	1.7
457.26694	2.5
457.33124	48.0
475.34082	1.3
579.33557	1.8
597.33990	8.8
615.35242	8.4
843.40948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.6
71.59180	0.8
71.95255	1.1
74.97615	0.6
81.03432	1.2
84.96027	4.8
89.05062	0.5
98.97577	24.6
102.97052	1.4
107.04929	0.6
108.93904	0.5
110.13701	0.6
110.97558	5.9
112.99099	0.7
116.25927	0.6
116.98616	26.5
124.99139	1.0
128.98598	13.8
131.00156	2.2
134.99652	24.7
139.26172	0.6
140.00116	1.2
140.98558	0.7
143.00131	2.6
144.98096	1.4
146.98466	1.0
146.99643	19.6
149.01233	3.6
152.89603	0.6
153.00693	5.6
158.01189	1.1
158.99666	2.8
161.01236	7.1
162.99098	1.6
165.00722	4.1
167.02177	0.8
170.99637	3.2
173.01207	2.3
177.00699	5.6
177.09134	0.5
179.02255	1.7
185.01247	1.7
189.00706	9.8
191.00206	0.8
195.01711	1.4
197.01274	1.1
199.02625	0.9
201.00687	4.0
203.02281	2.5
207.01752	1.7
210.01939	0.7
213.00650	1.6
215.02301	1.1
219.01733	22.9
223.02727	3.9
227.02267	5.1
228.03029	3.6
231.01668	1.2
232.02773	0.6
236.03685	1.0
237.02808	78.0
241.03818	14.3
242.00975	1.9
242.03294	1.2
243.01704	0.8
245.03242	3.6
246.04190	1.0
251.05968	1.8
253.03677	0.6
254.04648	2.7
255.03859	9.5
259.04782	3.3
260.04285	2.6
261.02795	1.6
267.05383	19.0
269.06955	6.6
270.04227	1.0
271.04718	0.6
272.05658	13.9
279.03992	1.0
281.03622	0.7
283.04831	1.4
285.02850	2.2
285.06445	6.1
287.08002	44.5
288.05173	1.2
290.06699	16.0
293.06827	2.8
296.05777	1.2
297.06326	3.3
303.03937	1.5
303.07379	0.9
305.09082	5.6
310.09695	1.2
311.04965	0.6
311.07996	22.4
315.07547	4.2
323.07922	2.8
325.09491	2.0
329.09045	33.7
330.41791	0.6
332.05685	1.6
337.09576	1.5
341.09012	3.3
343.10712	2.0
350.06772	5.0
352.10568	1.5
353.08960	3.5
355.10623	1.5
365.09039	9.7
367.10672	0.6
368.07785	0.7
371.10074	1.4
377.09067	0.8
383.10062	5.8
389.09158	0.9
395.10156	2.3
397.12015	0.8
398.08694	2.9
407.10208	0.6
413.11166	99.3
414.11502	1.3
416.09915	4.8
431.12253	9.7
454.13812	2.2
455.12244	100.0
456.12280	1.7
473.13327	11.3
474.13477	0.8
496.15457	0.8
497.12997	4.1
499.11761	61.4
500.11826	0.7
515.14252	2.9
517.12128	3.6
540.14014	0.7
617.17798	0.9
667.22437	1.7
931.12952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.9
69.03416	2.4
69.07063	7.8
70.06583	1.1
71.01343	1.5
71.04989	23.4
71.59299	0.8
73.02913	4.1
73.29224	0.7
74.09737	0.7
75.04471	3.8
75.18666	0.8
78.29532	0.6
79.05494	2.6
81.03420	0.8
81.07047	11.8
83.04980	10.8
83.08621	1.9
85.02900	58.0
85.06544	1.4
90.80237	0.7
91.03937	4.3
91.05473	2.8
93.07040	11.4
95.01323	14.3
95.04967	1.1
95.08601	28.7
95.53838	0.8
97.02879	6.8
97.06538	1.3
97.10148	1.7
99.00815	0.9
99.04452	0.9
99.08082	0.9
101.02380	0.9
103.03941	2.2
105.07013	10.2
107.08595	15.1
109.02872	1.2
109.06512	0.9
109.10152	17.8
111.04431	8.6
111.08078	5.9
111.11816	0.7
113.02345	2.9
117.07011	0.8
119.08577	14.5
121.10139	12.7
123.08023	1.3
123.11701	6.0
125.09632	2.1
127.03925	4.0
129.05475	13.9
131.03439	1.0
131.08562	3.8
133.10126	11.5
135.11682	10.9
137.09616	3.2
137.13237	1.8
139.03938	0.8
139.11162	2.9
141.01822	41.8
143.08551	2.0
144.79251	0.8
145.04984	5.4
145.10110	8.2
147.06516	8.4
147.11703	9.9
149.09654	1.1
149.13248	9.9
151.11157	1.7
153.09111	1.2
155.08501	0.9
155.10698	1.5
157.10146	4.5
159.02859	9.7
159.11668	9.7
161.09581	1.3
161.13252	8.7
163.06012	8.6
163.11234	1.3
163.14780	4.2
165.12793	1.9
167.06979	0.7
169.10118	0.7
171.06526	1.1
171.11708	5.4
173.13249	8.1
175.11177	1.5
175.14798	6.6
177.03947	1.8
177.12718	1.3
177.16377	5.2
179.14330	1.1
183.11653	1.7
185.13243	3.4
187.14778	5.0
189.12730	1.6
189.16405	11.2
191.14316	2.1
191.17955	2.6
193.15883	1.7
195.17525	1.5
199.14833	3.1
200.05463	0.9
201.12698	0.8
201.16389	9.1
203.14363	1.8
203.17953	5.5
205.15894	3.2
207.17467	7.0
211.14777	1.3
212.44308	0.8
213.16422	2.0
215.14412	1.0
215.17943	4.8
217.15933	3.8
217.19556	0.8
219.17429	9.3
221.15297	1.3
221.18941	1.0
225.16370	1.4
227.17966	1.8
229.15887	1.0
229.19467	1.6
231.17529	2.0
233.19049	1.5
235.16934	1.3
237.16463	1.0
239.18034	1.1
241.19527	1.0
243.17477	3.5
245.19040	1.7
247.20625	2.2
249.18504	1.1
255.08627	1.2
255.21240	1.0
261.18521	11.5
269.06665	0.9
269.19199	0.8
269.22650	0.9
271.20456	1.3
273.18555	1.7
273.22385	0.9
275.20087	2.8
283.20624	1.3
285.22153	1.5
287.07681	1.0
287.20081	3.2
287.23117	0.9
289.21707	2.7
297.22159	0.9
301.21725	3.6
305.08691	3.2
309.11780	2.0
311.23450	1.1
315.23215	2.2
323.09778	1.3
329.24771	2.7
335.27325	0.9
343.26178	2.0
365.19974	1.1
379.29813	1.4
387.45358	0.7
397.31018	7.0
409.34717	2.8
419.33124	6.5
425.34253	2.6
427.35916	0.9
437.34143	47.4
438.34436	1.2
455.35199	100.0
456.35687	1.6
473.35986	3.4
496.83987	1.0
595.36603	1.7
600.24609	1.0
613.37347	11.6
770.64355	0.8
957.48218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	11.8
69.03421	4.1
69.07071	8.4
69.58009	8.5
71.01360	2.5
71.04988	46.8
73.02927	6.8
75.04480	6.2
78.30029	1.1
79.05488	8.5
81.03392	1.8
81.07053	34.2
83.04984	18.5
83.08624	3.0
85.02901	100.0
87.04448	1.6
91.03957	8.4
91.05476	11.0
93.07034	30.7
95.01323	22.2
95.04964	4.1
95.08600	60.7
97.02887	10.2
97.06522	7.4
97.10167	2.9
98.20738	1.8
99.00803	2.2
99.04454	3.8
99.08068	2.2
101.02333	1.3
103.03936	3.2
105.07024	29.9
107.08590	41.4
109.02847	1.5
109.06499	3.6
109.10152	43.4
110.10477	1.1
111.04423	17.7
111.08086	13.4
111.11701	1.5
113.02367	4.9
117.07024	2.5
119.08572	50.6
121.06493	1.3
121.10135	35.6
123.08077	2.3
123.11700	12.7
127.03910	6.6
129.05479	27.5
129.06969	1.4
131.03441	1.3
131.08577	12.7
133.10124	41.3
135.08073	1.7
135.11687	20.7
137.09630	3.7
137.13257	4.7
139.11192	2.6
141.01816	60.7
142.07747	1.6
143.08559	5.5
144.09421	1.2
145.04977	7.2
145.10112	22.5
147.06522	16.4
147.11676	29.2
149.09656	2.2
149.13254	23.5
151.11192	1.7
154.92307	1.1
155.08534	1.3
155.10645	2.6
156.09323	1.9
157.10126	17.0
158.10910	1.9
159.02882	13.3
159.11676	28.9
161.09592	3.3
161.13248	37.9
163.06007	13.4
163.14809	17.1
165.09125	1.4
165.12723	2.4
169.10101	4.9
171.11673	13.9
173.09671	1.4
173.13251	22.6
175.11165	3.3
175.14819	22.3
177.03903	3.8
177.12772	2.8
177.16360	14.4
179.10678	1.9
181.12128	1.2
183.11716	6.0
185.13237	9.8
187.14804	14.8
189.12840	1.5
189.16357	23.0
191.14313	2.0
191.17929	4.9
193.12143	6.2
193.15839	2.1
195.11684	1.9
195.17392	1.7
197.13239	3.9
199.14801	8.3
201.12737	3.2
201.16385	13.1
203.14375	5.3
203.17921	20.2
205.15894	6.3
207.13783	2.2
207.17398	6.4
209.13326	2.3
211.14790	3.7
213.16345	9.0
215.14374	2.8
215.17931	12.5
217.15865	4.5
217.19531	9.1
219.13828	6.2
219.17397	5.2
219.21149	1.4
221.15363	58.6
221.18964	4.7
222.15553	1.3
223.14732	2.5
225.16423	3.1
227.17926	3.5
229.15840	2.8
229.19569	3.1
231.13799	2.8
231.17390	7.4
231.21048	1.5
233.15439	5.7
233.18958	5.0
235.16875	3.6
237.16298	1.3
239.18001	2.1
243.17508	5.1
243.21179	1.9
247.16801	5.7
249.18439	6.7
251.17841	1.9
254.72395	1.2
255.08665	2.3
255.20990	1.8
257.15237	1.3
259.16968	2.8
261.18530	9.0
265.19449	1.3
267.20993	1.3
269.06531	1.9
269.22668	3.0
271.20538	1.5
273.09625	1.7
273.18600	1.5
275.19971	3.1
283.20538	1.4
283.23978	1.2
285.18408	1.3
287.07574	2.6
287.19995	1.7
289.21680	1.5
301.21649	2.9
305.08612	7.2
309.11719	2.7
311.23477	1.2
315.23184	1.4
323.09683	2.3
327.23074	2.2
329.24774	2.5
339.09265	1.8
343.26260	2.9
349.28766	1.3
352.24850	1.1
355.26276	1.4
365.19464	1.1
377.32162	1.2
379.29889	3.9
389.32239	1.8
395.29117	1.8
397.30984	22.6
401.32159	1.9
407.33002	4.6
419.33102	13.0
425.34106	26.4
427.35840	2.0
437.34155	91.9
438.34528	3.7
455.35181	74.8
456.35455	2.5
473.36197	1.3
595.36212	4.5
613.37183	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	957.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	8.2
69.03429	1.6
69.07056	4.1
69.54824	2.2
69.55253	2.8
71.01343	1.4
71.04993	26.8
73.02912	4.5
75.04463	3.1
79.05486	5.3
81.03395	1.0
81.07056	17.9
83.04978	8.9
83.08613	2.4
85.02904	50.8
87.04449	1.5
91.03962	3.9
91.04447	0.6
91.05476	5.7
93.07041	17.9
95.01318	14.4
95.04972	1.2
95.08602	41.4
97.02880	5.6
97.06537	1.7
97.10170	0.9
99.00809	1.6
99.04420	0.9
103.03931	2.0
105.07027	17.9
107.08591	25.8
109.02879	0.9
109.06505	2.1
109.10151	20.2
111.04443	6.3
111.08103	5.1
113.02360	2.9
117.07007	2.4
119.08572	23.4
121.06487	0.9
121.10140	18.3
123.08077	1.7
123.11678	7.6
125.09601	0.9
126.20110	0.7
127.03931	4.3
129.05489	14.3
131.03392	1.0
131.08553	8.4
133.10126	17.5
135.11694	14.1
137.09628	1.3
137.13248	1.8
137.14265	0.6
139.11186	2.2
141.01822	36.7
142.07837	1.1
143.08545	4.5
145.04932	3.4
145.10121	14.3
147.06519	9.4
147.11687	17.0
149.09668	0.9
149.13264	12.0
151.11159	2.4
153.12810	1.1
156.09357	0.9
157.10107	6.7
158.10878	0.9
159.02884	9.3
159.11682	16.3
161.13255	14.6
163.06009	6.4
163.11226	0.9
163.14841	5.0
163.56157	0.8
165.07610	0.9
165.12785	2.3
169.10130	1.7
171.11679	7.0
173.13258	12.8
175.11212	2.6
175.14836	10.9
177.03989	3.1
177.12755	4.5
177.16382	6.0
179.10715	0.8
179.14320	2.5
183.11687	2.9
185.13254	4.1
187.14819	9.6
189.12799	1.4
189.16373	14.0
191.14333	2.9
191.17973	2.9
193.12256	0.8
193.15816	4.5
195.11559	0.8
195.17366	1.2
196.12573	0.7
197.13309	2.5
199.14787	5.9
201.12788	1.1
201.16368	13.4
201.18254	1.0
203.14333	6.9
203.17923	7.3
205.15878	4.6
207.17458	5.1
209.13298	0.9
211.14795	2.4
213.16376	4.8
215.14378	1.9
215.17874	7.0
217.15868	5.3
217.19479	1.7
219.17488	6.0
225.16385	1.6
227.17929	3.7
229.15839	1.9
229.19569	2.5
231.17453	7.5
231.20982	0.8
233.18999	1.9
237.16531	1.0
239.18019	1.6
241.15877	1.4
241.19565	2.1
243.17474	6.7
243.21109	1.8
245.19003	3.3
247.16826	0.9
249.18581	0.8
255.08698	1.2
255.17598	0.8
255.21082	1.8
257.19049	1.4
261.18481	17.4
265.19434	0.9
267.21005	1.7
269.06750	0.9
269.19055	1.5
269.22760	1.0
271.20731	3.1
273.09641	0.9
273.18475	2.2
275.20078	3.0
281.19052	0.8
281.22263	0.9
283.20584	1.9
283.23978	0.7
285.22162	2.3
287.07639	1.6
287.20065	2.7
289.21555	5.1
295.20578	1.1
297.22256	1.4
299.20071	1.5
301.21533	1.8
305.08530	3.0
309.11752	1.9
309.22406	0.8
311.23480	1.2
315.23035	1.7
319.24454	0.7
325.25201	1.2
329.24835	4.0
335.27209	0.9
339.09451	0.9
343.26447	1.5
351.18085	1.2
365.19461	1.6
377.28168	0.7
379.30020	5.1
391.33777	2.2
393.31329	0.8
395.29471	2.0
397.30902	4.8
401.32156	1.3
407.33109	2.4
409.34729	1.3
419.33075	27.3
421.34741	0.7
437.34167	100.0
438.34045	3.1
455.35223	60.8
456.35443	1.5
559.33392	0.7
577.35016	1.7
595.36255	8.6
613.37292	13.9
631.38013	0.9
763.11151	0.7
786.81293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.5
69.03416	2.8
69.06707	0.4
69.07060	6.8
70.06585	0.8
70.42692	0.8
71.01350	2.2
71.04987	35.8
73.02908	5.9
75.04474	4.6
77.03915	0.3
79.05041	0.5
79.05483	6.9
81.03416	1.9
81.07050	20.7
83.01325	0.5
83.04975	13.9
83.08615	2.4
84.08150	0.4
85.02896	73.6
85.06524	0.8
86.06101	0.4
86.09715	0.4
87.00831	0.3
87.04462	1.6
91.03950	6.7
91.05470	7.2
93.07034	19.2
95.01322	17.4
95.04963	2.7
95.08597	41.8
96.08941	0.5
97.02882	8.2
97.06520	21.2
97.10142	1.4
99.00803	1.7
99.04416	1.8
99.08091	0.9
101.02364	1.0
101.05994	0.7
103.03934	2.2
103.05436	0.4
105.07021	21.0
107.04938	0.7
107.08584	24.7
109.02898	1.7
109.06516	2.8
109.10146	24.1
111.04431	12.1
111.08073	7.2
111.11694	0.6
113.02370	2.9
113.06022	0.3
115.03925	0.7
115.05428	0.4
116.06203	0.3
117.06995	2.3
119.08569	27.5
121.06513	0.8
121.10130	19.5
123.00806	0.9
123.04395	0.4
123.08067	1.7
123.11694	9.2
125.09621	1.5
127.03903	5.4
128.06250	0.9
129.05470	17.8
129.06871	1.7
130.07787	0.6
131.03407	1.0
131.07571	0.4
131.08556	10.9
133.10120	24.6
135.08069	0.9
135.11681	16.8
137.05977	0.4
137.09608	2.4
137.13231	3.3
139.03862	0.5
139.11165	2.3
141.01814	46.2
141.06996	0.8
142.07764	2.3
143.08551	8.7
143.09674	0.5
144.09355	1.3
145.04950	4.3
145.10110	18.2
147.06509	9.6
147.11676	19.7
149.09616	1.0
149.13248	15.0
151.11206	1.8
151.14844	0.7
153.05426	0.4
153.12740	0.7
155.08568	2.6
155.10643	2.6
156.09328	2.8
157.10114	14.7
158.10881	1.1
159.02875	8.9
159.04205	0.4
159.11676	25.9
160.12096	0.5
161.09613	1.7
161.13243	15.4
163.06015	7.4
163.07368	0.2
163.11180	1.1
163.14812	4.9
165.07581	1.1
165.09030	0.4
165.12752	4.1
165.16449	0.4
167.07217	0.2
167.08597	0.8
167.10655	0.7
168.09331	0.9
169.10115	6.2
170.10863	1.5
171.06502	0.3
171.11674	16.2
172.12407	0.6
173.09581	0.5
173.13246	17.7
175.11227	0.9
175.14812	16.3
177.03947	2.2
177.05330	0.4
177.12813	1.4
177.16364	7.4
179.08513	0.4
179.09142	0.3
179.10649	3.0
179.14317	0.9
181.04877	0.4
181.10138	1.3
181.12221	0.7
182.10918	1.5
183.03008	0.5
183.11682	8.4
184.12494	1.1
185.13228	8.8
185.14781	0.4
186.13994	0.6
187.11256	0.4
187.13098	0.4
187.14810	12.4
189.12766	1.6
189.16373	12.7
191.14326	2.4
191.17908	2.4
193.10342	0.4
193.12262	1.0
193.15843	3.9
193.30635	0.3
194.10918	0.5
195.11674	2.1
195.17429	3.1
196.12459	1.1
197.13243	6.4
197.14989	0.4
198.13625	0.3
199.11104	0.3
199.14801	8.9
201.04027	0.3
201.12672	0.6
201.16376	12.5
203.14262	2.7
203.17932	8.8
205.12267	0.3
205.15836	4.6
205.19563	0.4
207.11783	0.6
207.13826	1.8
207.17426	6.0
208.12416	0.4
209.13257	2.4
209.15240	0.6
210.14026	0.7
211.14781	5.7
213.12978	0.3
213.16374	7.4
213.18326	0.5
215.14496	1.8
215.17921	6.1
217.12502	0.4
217.15866	5.1
217.19432	2.1
219.13828	1.1
219.17421	4.9
221.13329	0.6
221.15372	1.7
221.19017	0.8
223.14801	2.1
223.16794	0.4
224.15599	0.5
225.07542	0.4
225.16370	4.2
227.17940	3.5
229.15852	3.5
229.19438	2.4
231.13907	0.4
231.17433	5.0
231.20982	0.3
233.15479	0.8
233.19002	1.9
235.14713	0.6
235.16847	3.4
237.16281	1.3
239.14279	0.3
239.17952	2.3
241.15889	0.5
241.19585	1.7
243.17410	6.9
243.20987	1.5
245.15517	0.4
245.18892	1.3
247.16913	12.3
247.20676	0.6
249.16293	0.6
249.18562	2.2
251.17921	1.3
253.19502	2.0
255.08603	1.8
255.17470	1.1
255.21075	1.6
257.18948	2.0
257.22665	0.5
259.16937	1.1
259.20618	0.5
261.18484	11.4
263.17853	0.6
265.19565	1.0
267.17447	0.5
267.21060	1.4
269.06528	0.8
269.19382	1.4
269.22513	2.0
271.20535	2.5
273.09714	1.3
273.18518	1.7
273.22159	1.1
275.20108	2.6
277.19574	0.8
279.21170	1.1
281.19058	0.8
281.22672	0.7
283.20554	1.8
283.24103	0.8
285.22144	1.1
287.07642	2.0
287.20065	2.2
287.23343	0.4
289.21625	3.3
291.10706	0.3
291.21048	0.6
293.22534	0.7
297.22141	1.1
299.20023	0.8
299.23502	0.3
301.21600	2.4
303.07053	0.3
303.23230	0.6
305.08658	4.3
305.22443	0.4
307.24118	0.5
309.11768	2.1
309.22128	0.3
309.25772	0.6
311.23697	1.2
313.21722	0.4
315.23203	1.9
321.08295	0.7
321.25784	0.9
323.09671	1.2
323.27429	0.4
325.25098	0.5
327.23373	0.6
327.26801	0.6
329.24744	3.3
337.25378	0.4
339.09195	0.5
339.26776	0.4
341.24710	0.3
343.26251	1.5
349.28973	0.3
351.17914	0.9
355.26361	0.5
359.27399	0.3
361.28775	1.1
365.19653	0.8
379.29898	7.3
381.27695	0.4
389.32028	0.5
393.31601	0.6
395.29227	0.5
397.30948	6.6
401.31900	1.6
407.32990	1.8
419.33057	10.4
420.33578	0.4
425.34113	9.4
437.34119	74.0
438.34457	1.7
439.35785	0.3
453.61404	0.3
455.35165	100.0
456.35669	2.1
472.38239	0.3
473.36197	9.7
577.35065	1.9
595.36194	6.3
613.37341	9.6
631.38275	0.9
649.39423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	9.4
67.56732	0.9
69.03429	2.7
69.07060	4.3
69.58980	3.7
69.59402	3.2
71.01343	1.8
71.04995	34.0
73.02909	5.9
75.04478	5.5
79.05488	6.6
81.07053	18.1
83.04478	1.4
83.04976	20.4
83.08602	1.9
85.02904	70.7
87.04470	1.5
91.03935	6.1
91.05459	6.1
93.07041	17.1
95.01328	19.3
95.04967	0.9
95.08605	43.7
97.02893	7.2
97.10128	1.3
99.00808	1.7
101.02374	1.9
101.06016	1.1
103.03929	1.8
105.07034	15.3
107.08589	30.1
109.02858	1.3
109.10153	32.0
111.04447	13.3
111.08056	2.4
113.02356	3.0
115.03960	0.8
117.07013	1.6
119.08575	25.0
121.10140	18.1
123.00853	0.9
123.11698	6.1
127.03951	5.2
128.65753	0.9
129.05473	21.8
129.06970	1.3
131.03421	1.5
131.08575	6.8
133.10121	20.6
135.11694	13.2
137.13219	1.0
139.11104	1.5
141.01823	52.4
143.08566	3.7
144.09380	1.3
145.04922	4.7
145.10126	21.9
147.05415	1.2
147.06523	12.5
147.11679	16.2
149.13246	16.2
151.11166	3.0
152.66841	0.8
155.08554	1.0
157.10101	6.7
159.02895	10.4
159.11674	18.0
161.13242	12.0
163.06044	8.3
163.11130	1.1
163.14799	7.3
165.07614	1.3
165.12709	1.3
169.10214	1.3
171.06505	1.8
171.11641	6.9
173.13246	12.4
175.14792	8.0
177.03914	3.7
177.05371	1.0
177.16389	6.4
183.11581	2.7
185.13286	4.5
187.14822	15.6
189.12842	1.6
189.16357	17.2
191.17969	1.7
193.12231	1.5
193.15987	0.9
195.17255	1.0
197.13289	1.8
199.14778	6.5
201.16386	24.8
203.17952	4.1
205.12265	2.2
205.15965	4.6
207.13774	3.7
207.17397	5.1
209.13321	1.1
211.14832	3.5
213.16379	10.0
214.17010	0.9
215.14311	2.5
215.17966	3.6
219.13805	3.6
219.17448	2.1
221.15364	1.4
223.14853	1.3
225.16476	2.1
227.14296	1.0
227.17941	5.1
229.19444	1.7
231.13812	1.3
233.15387	6.9
235.16920	1.9
239.17937	2.9
241.15848	1.4
241.19470	2.3
245.15298	1.6
247.16891	7.9
253.19461	1.4
255.08737	1.5
255.21207	1.9
257.15320	2.4
259.16943	26.6
267.21164	1.5
271.16986	5.8
273.18451	7.4
281.22672	2.2
283.16943	1.8
285.18481	8.7
287.07642	2.8
287.20114	10.4
297.18533	3.2
299.19940	6.5
301.21573	1.7
305.08630	3.1
309.11734	2.6
313.21530	6.6
325.21570	2.7
327.23169	4.8
339.23145	2.1
341.24799	3.5
353.24664	1.1
379.26279	2.4
389.31903	1.8
395.29456	13.9
407.33063	8.9
423.32489	12.3
424.33401	1.3
425.34317	1.1
435.32599	100.0
436.32840	4.0
453.33630	82.4
454.33798	3.3
471.34671	3.3
569.16351	1.0
589.35248	0.9
593.34753	2.6
605.10382	1.0
611.35962	10.9
824.06024	1.0
865.46075	1.0
951.53333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	12.5
69.03423	3.9
69.07068	7.4
69.69247	2.0
70.06597	5.4
71.04990	46.1
71.45815	2.0
71.59885	2.3
72.98696	2.2
73.02908	8.1
75.04468	5.2
75.74335	2.2
79.05489	9.6
79.17127	2.2
81.07059	24.7
81.60608	2.0
83.04983	18.5
84.88593	2.1
85.02905	100.0
86.06092	2.5
86.09715	3.2
88.36157	2.3
91.03946	10.7
91.05476	8.1
93.07037	24.3
95.01325	20.9
95.04968	4.5
95.08605	49.9
97.02879	10.3
97.06557	4.2
99.04486	2.9
101.02350	2.6
105.07023	19.1
105.64511	2.0
107.08592	34.1
109.06560	2.9
109.10160	35.6
111.04464	15.8
111.08078	10.9
111.28352	2.3
117.07031	2.9
119.08579	29.7
121.10152	25.5
123.08038	4.7
123.11724	11.0
125.09668	3.6
127.03905	9.5
129.05475	27.7
131.08578	9.3
133.10133	25.8
135.08105	2.8
135.11687	21.1
137.13289	4.2
139.11203	4.2
141.01823	58.1
141.02882	3.5
143.08583	6.7
145.04947	7.2
145.10117	21.1
147.06508	14.3
147.11694	23.6
148.53932	2.2
149.13263	16.4
156.09361	5.1
157.10132	21.5
159.02937	13.8
159.11708	21.9
161.09560	2.3
161.13266	17.6
163.06020	14.8
163.14810	10.6
163.37842	2.2
165.12798	2.4
165.16431	2.3
169.10129	9.0
171.11671	31.4
173.13257	17.1
175.14833	12.3
177.03920	3.5
177.16438	10.6
182.10962	2.9
183.11714	9.5
185.13252	9.1
187.14801	13.8
189.16402	8.7
191.17999	3.0
195.11719	3.9
197.13220	7.4
199.14810	8.2
201.12813	2.3
201.16396	11.2
203.14247	5.0
203.17879	12.0
205.15866	6.2
209.13297	3.9
211.14838	8.9
213.12744	3.5
213.16425	6.4
215.14360	3.0
215.17979	8.6
217.19379	3.1
219.13805	3.2
219.17386	3.1
221.13408	2.8
221.19090	2.7
223.14870	4.7
225.16397	4.8
227.18005	4.7
229.15895	5.1
231.13814	14.3
231.17354	11.8
233.19006	4.8
245.15425	2.9
247.16931	16.5
251.18167	2.8
253.19365	3.8
255.08685	4.5
257.15308	7.4
259.16934	8.2
265.19537	3.4
273.09729	2.8
273.18478	5.7
281.19128	2.7
283.17215	2.5
283.20590	2.6
285.18527	4.1
287.20151	3.8
297.22067	2.8
299.20016	5.2
301.21832	3.5
305.08661	6.8
309.11777	2.7
309.22040	2.7
313.21387	2.8
339.23044	2.4
341.24493	5.0
377.28644	5.5
393.27777	4.0
395.29584	13.4
405.31540	4.1
407.33029	3.7
417.31573	15.7
423.32648	30.6
435.32581	79.5
453.33649	57.0
471.34848	2.8
536.88635	2.6
561.47534	3.2
593.34131	7.2
611.35437	7.8
824.83038	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76821	0.1
68.05029	0.2
69.03423	0.4
69.89165	0.2
69.89570	0.5
70.06587	1.3
72.08160	0.8
84.08142	3.5
85.02897	0.3
85.11707	0.1
86.06065	0.5
86.09699	0.5
91.05479	9.7
97.02915	0.2
98.09664	0.2
100.39744	0.1
105.07065	0.1
107.04932	0.4
110.09669	0.6
112.10428	0.3
112.11241	10.4
119.04942	21.9
129.10214	0.2
129.13878	8.5
137.05977	0.2
147.04407	100.0
148.04735	1.0
155.11813	1.9
160.07571	0.2
162.09117	0.1
203.11794	6.7
204.10199	55.1
205.10533	0.8
218.11723	1.3
232.63513	0.1
236.28522	0.1
257.16632	0.2
258.15015	0.2
275.17529	23.2
276.17947	0.3
292.20114	0.3
349.25909	1.2
358.21136	0.2
366.15564	0.2
375.23981	0.4
421.21280	0.9
437.23013	0.4
477.28583	1.0
478.20190	0.2
478.26996	3.5
495.29666	2.5
503.26440	0.2
521.27490	0.5
623.32227	12.9
624.31366	0.9
640.32135	0.3
641.33331	51.3
642.33630	1.3
657.34937	0.4
694.99622	0.1
785.37695	2.0
786.35846	0.5
787.36920	4.7
788.36603	0.2
803.38629	15.1
804.38751	0.4
949.42432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	55.3
69.03423	2.8
69.07064	12.2
71.04965	1.8
71.31154	2.2
73.02906	3.8
79.05494	32.5
81.07058	50.9
83.04988	2.4
83.08621	5.9
85.02906	14.9
85.06549	2.2
91.03957	9.8
91.05480	19.6
93.07043	39.5
95.04977	3.8
95.08609	45.9
96.04523	1.3
97.02885	7.8
97.06526	3.8
97.10157	4.1
99.04424	1.5
105.07024	17.7
107.08595	25.9
109.06524	2.3
109.09452	1.6
109.10158	21.1
111.08102	1.3
117.07020	7.1
117.52807	0.9
119.08578	14.5
121.10149	18.4
123.08093	1.1
123.11709	7.8
125.09595	1.4
127.03914	5.3
129.07001	1.2
131.08565	11.0
133.10133	12.1
135.11696	16.5
137.09631	1.3
137.13284	2.7
143.08540	2.7
145.04950	6.4
145.10103	9.1
147.11685	8.8
149.13251	7.6
157.10168	2.5
159.11687	10.0
161.13255	8.2
163.06018	7.4
163.14822	4.9
171.11633	2.9
173.13258	7.4
175.14865	3.9
185.13300	3.1
187.14809	3.1
199.14748	1.4
201.16310	1.4
213.16536	1.3
215.17914	1.4
241.19492	3.8
243.20906	6.2
245.22731	1.5
259.20596	8.8
261.22156	16.8
273.21841	1.3
279.23129	1.6
317.24750	4.3
333.24271	9.1
335.25815	100.0
336.25638	1.5
337.27429	13.5
472.25659	1.3
521.43536	4.0
539.44659	1.4
582.40521	1.4
595.47321	16.4
613.48193	20.4
631.09961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.3
70.06586	0.7
72.08160	0.6
74.71206	0.1
78.34357	0.1
84.04472	0.1
84.07683	0.2
84.08143	2.6
86.06008	0.2
86.09675	0.3
91.05478	10.8
97.02882	0.1
98.09692	0.2
98.20696	0.2
104.51839	0.1
107.04970	0.3
110.09686	0.8
110.67388	0.1
110.92002	0.1
112.11240	7.8
113.07147	0.2
116.07028	0.1
119.04940	23.1
120.05240	0.2
122.03714	0.1
127.03905	0.1
129.13876	5.0
131.04903	0.3
146.06004	0.2
147.04405	100.0
148.04756	1.1
150.14340	0.1
155.11801	1.4
160.07544	0.2
189.15248	0.1
203.10081	0.1
203.11778	7.2
204.10193	50.3
205.10532	0.8
218.11720	1.4
229.20433	0.2
257.16568	0.2
258.14926	0.2
275.17523	18.3
276.17935	0.4
292.20267	0.1
349.22009	0.1
349.25888	0.6
358.21268	0.2
366.15491	0.5
375.23950	0.2
421.21194	0.9
437.22739	0.9
438.23822	0.1
477.28622	1.2
478.27017	3.8
494.28232	0.1
495.29492	1.2
511.31351	0.1
521.27570	0.4
623.32251	13.0
624.32056	0.8
639.33215	0.2
640.32495	1.2
641.33319	21.6
642.33362	0.6
657.35040	0.6
683.33038	0.2
785.37518	4.1
786.36731	0.7
787.36957	2.8
787.50568	0.1
788.37805	0.2
803.38568	29.5
804.38904	1.3
949.42322	2.9
950.42957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.9
69.29700	49.4
71.07348	4.8
71.13721	3.9
71.53437	4.4
79.05516	4.1
81.07062	4.5
86.09705	45.9
86.92883	4.3
98.21448	9.7
98.98469	6.7
104.02236	4.3
104.10739	98.7
124.99982	25.6
155.67598	3.8
171.11632	4.1
184.07341	86.7
205.65025	4.0
338.27628	5.4
478.33069	8.6
496.34036	100.0
775.28888	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	945.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	0.8
67.05505	12.3
68.99836	0.5
69.03429	4.2
69.07067	7.3
70.06575	1.3
71.01362	2.6
71.04994	36.9
71.60184	0.7
73.02920	5.9
74.09735	0.4
75.04481	6.3
76.60777	0.4
77.03917	0.8
79.05495	11.4
81.03401	1.6
81.07056	31.5
83.01340	1.3
83.04980	15.6
83.08615	4.0
85.02904	78.1
86.06091	0.5
86.09724	1.0
87.04469	1.2
91.03956	7.3
91.05476	12.7
93.07047	29.4
95.01332	16.5
95.04955	2.9
95.08606	53.0
97.02894	8.6
97.06525	3.2
97.10149	2.0
99.00811	1.8
99.04435	1.9
99.08125	0.7
101.02365	1.2
101.06027	0.6
101.18202	0.4
103.03951	2.5
103.05475	0.7
105.07031	31.6
107.04964	0.9
107.08593	35.8
109.02877	1.6
109.06528	2.0
109.10157	33.9
111.04445	12.2
111.08075	11.4
111.11712	0.9
113.02354	3.5
113.06017	0.6
115.03930	1.2
115.05453	0.4
117.07002	4.4
119.08578	30.5
121.06508	0.8
121.10137	23.2
123.00751	0.5
123.08079	1.4
123.11703	9.7
125.09645	1.1
127.03909	6.2
128.06230	0.7
129.05478	21.1
129.06915	2.7
130.07802	0.7
131.03406	1.8
131.08571	12.9
133.10126	24.2
134.45212	0.4
135.08073	1.4
135.11694	20.2
137.09644	1.3
137.13269	3.1
139.11166	1.9
141.01828	50.1
141.06998	0.5
141.09108	0.9
142.07805	1.3
143.08568	6.5
144.09378	0.5
145.04955	6.3
145.10121	24.5
145.31662	0.5
147.06516	12.9
147.11688	26.8
149.09615	1.3
149.13255	20.7
151.11179	1.2
151.14835	0.7
153.09157	0.5
153.12807	0.8
155.08505	1.5
156.09354	0.8
157.05069	0.8
157.10127	8.7
158.10921	0.9
159.02879	9.6
159.06528	0.6
159.11691	24.0
161.09697	0.7
161.13258	23.8
162.13609	0.4
163.06015	11.9
163.11192	1.7
163.14821	15.1
165.07617	1.1
165.12729	2.2
165.16382	0.7
167.08496	0.6
167.10732	0.7
167.14404	0.8
169.10104	2.8
170.10913	1.1
171.06526	0.8
171.11702	8.2
172.12428	0.9
173.13261	16.7
175.11252	1.8
175.14824	15.8
177.03914	3.3
177.12769	3.0
177.16376	10.5
179.10732	1.1
179.14317	4.4
179.17868	0.5
183.11687	3.2
185.13274	7.3
186.14180	0.6
187.02425	0.4
187.06078	0.6
187.14828	14.8
189.12833	2.0
189.16385	16.7
191.14311	5.0
191.15959	0.5
191.16278	0.6
191.17940	6.4
191.19586	0.6
193.12204	0.6
193.15875	6.2
195.11707	0.9
195.17464	1.6
196.12451	0.6
197.13225	3.3
199.11148	0.5
199.14795	7.4
201.03912	0.6
201.12675	0.6
201.16373	17.2
203.14259	5.3
203.17944	15.6
205.15880	15.2
205.19466	2.6
207.12067	0.5
207.13843	3.1
207.17461	6.0
209.13332	0.8
209.15326	1.0
211.14766	2.6
213.16373	6.0
215.14380	1.2
215.17966	6.1
217.15916	7.4
217.19469	6.8
219.17441	13.8
219.20914	0.6
221.15514	2.4
221.18990	4.7
223.14836	0.9
223.16927	1.4
225.16367	1.6
227.14325	0.5
227.17978	3.5
229.15932	1.9
229.19504	3.0
231.17442	7.2
231.21152	1.5
233.15364	1.4
233.18967	2.7
235.16914	2.5
235.20613	0.6
237.16330	0.7
237.18504	1.8
239.17934	1.7
241.19652	2.5
243.10382	0.5
243.17426	1.3
243.21153	2.3
245.18987	3.9
245.22702	0.6
247.16867	1.1
247.20566	1.5
249.18503	5.5
251.17950	0.5
252.29671	0.4
253.19543	1.5
255.08649	2.2
255.21178	1.7
257.19077	1.5
257.22635	0.5
259.20520	2.6
261.18530	0.9
261.22238	0.6
263.20114	0.9
267.21173	2.1
269.06662	1.2
269.19128	0.5
269.22592	1.2
271.20624	2.0
273.09628	1.2
273.22150	1.4
275.20135	2.1
277.21725	0.9
279.20990	0.5
281.22665	1.1
283.20544	0.8
285.22183	1.9
287.07532	2.7
287.20160	1.2
289.21548	1.3
293.22458	0.7
295.24170	1.0
297.22092	1.3
299.23734	2.4
301.21698	0.5
303.23154	0.7
305.08664	5.4
309.11752	2.9
311.23727	0.8
311.27081	1.0
313.25229	2.3
315.23334	0.9
317.24823	2.2
321.08255	0.7
323.09744	1.5
325.25378	0.7
327.26791	0.8
329.24643	1.0
331.26270	1.0
339.09100	0.8
349.28845	2.2
351.18137	1.0
355.26263	0.6
365.19452	1.3
365.28278	0.7
367.29941	8.9
377.32166	0.9
379.33530	0.7
383.29346	0.7
385.31052	5.4
389.31924	4.7
391.21606	0.5
395.33167	4.1
398.75293	0.4
407.33102	42.1
408.33380	0.9
409.34570	1.1
413.34027	5.3
423.32953	0.8
425.34140	100.0
426.34265	2.1
443.35242	37.0
443.41678	0.6
444.35641	1.0
547.34344	1.0
565.35205	3.5
583.36151	7.3
601.37317	6.1
606.95178	0.5
619.37988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	13.3
69.03423	3.7
69.07061	8.1
69.61313	3.9
69.61729	6.3
71.01343	1.8
71.04988	35.8
73.02905	8.3
75.04464	4.7
79.05483	6.4
79.92857	1.4
81.03429	1.6
81.07053	27.4
83.04978	13.8
83.08605	3.8
85.02902	79.7
91.03964	9.0
91.05456	7.7
93.07037	20.5
95.01332	17.9
95.04975	2.1
95.08602	55.2
97.02896	10.4
97.10146	2.4
99.00786	2.2
99.04456	1.6
103.03893	3.0
105.07028	23.6
107.08589	34.9
109.02869	1.7
109.10150	39.4
111.04424	11.4
111.08093	11.9
111.11700	2.4
113.02368	4.1
117.07050	2.9
119.08577	30.2
121.10148	28.6
123.08035	2.2
123.11714	16.5
125.09665	1.7
127.03918	7.6
129.05481	21.4
131.03394	2.7
131.08545	7.4
133.10127	27.0
135.11681	23.0
137.13245	5.9
139.11163	3.9
141.00726	3.2
141.01822	61.8
143.08556	2.1
145.04964	5.9
145.10139	15.0
147.06526	15.8
147.11681	21.7
149.13260	22.7
151.11182	2.5
151.14787	1.8
157.10088	2.9
159.02885	12.4
159.06532	1.6
159.11693	17.4
161.13242	19.6
163.06020	14.3
163.11195	1.5
163.14815	18.8
165.07614	2.2
165.12737	2.3
171.11673	2.2
173.13280	13.8
175.14806	16.4
177.03937	1.6
177.16388	20.2
179.17931	1.7
181.95204	1.5
185.13225	2.9
187.14822	9.1
189.16380	20.9
191.17924	8.8
193.15854	4.6
193.72850	1.5
195.17401	4.7
197.67999	1.5
199.14833	3.5
201.16347	15.2
203.14638	1.4
203.17963	34.7
205.15857	6.4
205.19571	3.1
207.17441	8.3
213.16315	3.9
215.17949	12.6
217.15791	2.0
217.19493	16.8
219.17474	10.0
219.21242	1.6
221.19060	8.8
227.17868	4.0
229.19467	16.7
231.20966	1.8
233.19046	9.3
235.20438	2.3
241.19540	3.3
243.21046	5.2
245.19113	3.2
247.20538	11.3
255.08551	2.3
255.21002	5.0
257.22592	5.0
259.20667	2.0
261.22076	3.8
269.06345	1.6
269.22623	4.7
271.23984	2.0
273.09857	1.8
273.22180	2.5
275.23688	2.4
281.22430	1.6
287.07629	2.7
287.23672	1.7
295.24246	2.1
297.25729	2.5
299.23724	2.0
301.25238	2.6
305.08701	6.8
309.11887	2.1
311.27408	1.8
315.26630	3.8
329.28418	2.1
365.31973	5.9
383.32916	7.0
405.30444	1.7
405.35211	15.8
411.36343	1.8
423.36188	100.0
424.36435	5.2
441.37256	97.2
442.37479	4.4
581.38513	9.4
599.39362	16.6
617.39752	1.6
837.25140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.4
69.03428	2.8
69.07067	5.3
69.44971	2.3
69.45387	0.8
70.06586	1.5
71.01357	2.3
71.04987	34.9
71.08608	0.3
73.02913	5.7
75.04472	3.9
77.03905	0.6
79.05486	8.1
81.03408	0.9
81.07050	24.7
83.01308	0.7
83.04978	14.9
83.08614	2.5
84.08109	0.4
85.02898	72.2
85.06509	0.6
86.03241	1.0
86.06067	0.9
86.09711	0.7
87.04466	1.4
91.03951	5.1
91.05470	10.6
93.07036	21.7
94.07359	0.4
95.01321	18.2
95.04942	2.5
95.08599	54.8
96.08923	0.8
97.02882	8.2
97.06525	1.3
97.10159	1.2
99.00828	1.8
99.04469	1.7
101.02387	0.9
101.06020	0.7
102.51503	0.3
103.03930	1.9
105.07021	25.2
106.07326	0.4
107.04952	0.6
107.08585	29.6
108.08949	0.4
109.02856	1.6
109.06507	2.2
109.10147	27.0
110.10553	0.5
111.04439	7.9
111.08072	7.3
111.11712	0.5
113.02361	3.0
115.03918	0.5
115.05464	0.7
117.01853	0.4
117.07016	5.0
119.08570	26.0
120.08869	0.7
121.06496	1.4
121.10135	20.2
122.10445	0.5
123.00791	0.8
123.04427	0.6
123.08067	1.2
123.10809	0.5
123.11694	7.5
125.06059	0.5
125.09661	0.8
127.03907	4.3
128.06224	1.4
129.05470	17.1
129.06895	2.8
130.07802	0.5
131.03391	1.5
131.08562	13.3
133.06479	0.5
133.10123	21.4
133.89915	0.4
135.04379	0.4
135.08041	1.3
135.11684	20.8
137.05972	0.6
137.09639	0.8
137.13231	2.4
139.03891	0.7
139.11189	3.7
141.01816	49.8
141.07010	1.1
141.09203	0.4
142.02153	0.5
142.07817	1.7
143.07458	0.5
143.08557	7.4
144.09311	0.7
145.04945	4.0
145.10114	21.3
146.10570	0.4
147.04419	0.4
147.06517	9.8
147.07994	1.2
147.11676	18.8
148.12010	0.5
149.09587	1.3
149.13248	13.0
151.03906	0.6
151.07549	0.5
151.11165	2.3
151.14861	0.4
153.12697	0.8
155.08557	2.1
156.09328	1.4
157.10126	10.8
158.10803	0.8
159.02890	9.3
159.08052	0.6
159.11685	22.1
160.12138	0.4
161.09686	1.7
161.13237	21.6
162.13568	0.4
163.06020	6.7
163.11176	2.9
163.14809	5.1
165.07617	0.6
165.12697	2.5
167.08609	0.4
169.10115	3.4
170.10878	1.3
171.06532	0.6
171.11678	7.5
172.12431	0.4
173.09604	1.0
173.13243	13.5
174.13646	0.5
175.11211	1.8
175.14825	11.7
176.15115	0.4
177.03949	2.5
177.05266	0.4
177.12766	4.9
177.16371	8.1
179.10666	0.8
179.14297	1.2
181.10048	1.1
182.10832	0.7
183.11697	3.9
184.12285	0.4
185.13257	9.3
187.11200	1.4
187.14796	9.6
189.12747	9.0
189.16371	14.0
191.10690	0.5
191.14299	2.5
191.17949	2.5
193.09995	0.4
193.15854	5.3
194.10851	0.5
195.11696	1.5
195.17488	2.1
197.13226	4.9
199.14790	8.3
201.12729	3.2
201.16386	15.0
202.16684	0.8
203.14299	6.5
203.17931	6.5
205.12360	0.4
205.15860	7.6
207.11797	0.7
207.13826	1.3
207.17439	6.1
209.13235	2.1
211.14793	3.9
213.12820	0.6
213.16339	5.7
215.14339	3.4
215.17920	5.2
216.18349	0.5
217.15872	10.7
217.19366	1.9
219.13899	0.9
219.17415	6.2
221.15300	1.1
221.19002	0.6
223.14839	1.8
225.16397	2.3
227.14352	2.2
227.17934	3.6
229.15858	10.9
229.19376	3.1
231.17416	3.1
231.21025	0.5
233.15390	1.2
233.18877	0.9
235.14871	0.5
235.16940	0.4
237.16364	1.5
239.17961	2.2
241.15938	2.0
241.19493	1.7
243.17470	3.2
243.21107	1.5
245.15392	0.9
245.19058	1.8
247.16913	23.5
247.20929	0.8
251.17993	1.4
253.19476	1.2
255.08557	1.8
255.17365	2.9
255.21056	1.3
257.19000	4.1
259.08246	0.5
259.16959	3.1
259.20612	0.5
261.16086	0.6
261.18494	3.7
265.19492	0.8
267.17444	1.2
267.21033	1.3
269.06522	0.9
269.19003	2.9
269.22495	1.1
271.16907	0.8
271.20584	2.8
273.09686	0.9
273.18542	3.8
273.21439	0.6
275.20038	9.5
277.19461	0.6
279.21075	1.0
281.19083	1.3
281.22351	0.7
283.20551	2.3
283.23865	0.6
285.18622	1.2
285.22165	1.0
287.07663	1.8
287.20044	4.7
289.21628	0.5
291.20993	0.5
293.22516	0.6
295.20572	1.3
295.23859	0.5
297.22107	3.0
301.21643	2.4
305.08633	3.9
307.23856	0.4
309.11786	1.5
309.22095	0.8
311.23633	0.7
313.21835	0.7
313.25266	0.5
315.23154	3.9
321.08078	0.4
323.09683	0.7
327.22980	0.7
329.24728	1.8
339.09131	0.5
347.27231	1.2
351.17990	1.1
353.24939	0.5
361.28625	0.6
363.26816	0.9
365.19577	1.5
365.28372	6.0
375.30429	0.5
377.32083	1.4
379.30197	0.5
381.27734	0.7
383.29401	6.0
383.83347	0.4
387.30374	2.0
393.31433	2.8
395.33075	1.4
405.31488	32.7
406.31879	0.8
411.32568	0.7
421.34906	0.5
422.34744	0.7
423.32541	100.0
424.32867	2.3
439.35651	1.0
440.35648	0.8
441.33597	73.3
442.33847	2.0
465.20187	0.4
563.33606	2.3
581.34656	9.3
599.26038	0.7
599.35773	14.8
600.36212	0.5
617.36768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	7.5
69.03422	2.9
69.07065	5.7
70.02900	2.4
71.01350	1.6
71.04987	32.7
73.02906	5.4
75.04482	4.5
79.05486	5.1
81.03420	1.5
81.06569	1.1
81.07047	15.9
81.07516	1.0
81.62432	0.5
83.01926	0.5
83.04978	13.4
83.08603	3.0
85.02898	67.4
87.04456	1.2
88.53159	0.5
91.03950	6.0
91.05476	5.6
93.07037	16.6
95.00745	1.0
95.01324	15.1
95.04960	2.0
95.08598	40.6
97.02884	8.9
97.06525	4.3
97.10155	1.5
99.00799	1.4
99.04450	1.1
99.08101	1.1
101.02348	0.8
101.06021	0.9
103.03938	2.3
105.07018	12.7
107.04955	0.6
107.08585	22.3
109.02873	1.2
109.06521	1.6
109.10146	22.4
111.04437	8.6
111.08070	6.8
111.11646	0.8
113.02361	2.2
113.09593	0.6
115.03917	0.6
117.07027	1.8
119.08568	23.8
121.06537	0.5
121.10134	18.9
123.08082	1.7
123.11718	8.9
125.08849	0.4
125.09614	2.4
127.03911	5.9
129.05470	19.0
129.06970	1.0
130.14259	0.4
131.03403	1.1
131.08562	8.2
133.10118	16.7
135.11681	15.9
137.02325	0.7
137.06001	0.5
137.09621	1.5
137.13234	2.9
139.11172	10.9
139.12209	1.0
141.01817	44.4
141.06966	0.5
143.08546	3.0
144.09340	1.1
145.04970	3.9
145.10107	13.0
147.06516	9.5
147.11673	14.2
149.09625	0.9
149.13246	18.3
151.11172	1.9
153.12791	1.2
155.08553	1.0
156.09319	0.5
157.04932	0.6
157.10118	4.6
159.02875	9.0
159.11674	14.7
160.12573	0.6
161.13248	16.1
163.05997	9.3
163.11203	3.5
163.14807	6.5
165.07559	1.1
165.12747	2.4
167.14359	0.8
169.10159	1.5
170.10968	0.8
171.06599	0.5
171.11662	5.4
173.13254	10.8
175.14807	14.4
177.03935	1.9
177.12781	2.5
177.16365	10.3
179.14314	0.9
183.11600	1.2
185.13234	4.2
187.14781	9.1
189.12717	0.9
189.16354	9.1
191.14282	3.1
191.17967	3.6
193.15857	2.9
195.17497	3.7
197.13264	1.9
199.14810	6.3
201.03888	0.5
201.16367	18.1
203.14343	1.8
203.17929	11.5
203.19731	0.8
205.15846	6.7
207.17450	5.3
211.14841	1.7
213.16350	6.3
215.14557	0.8
215.17931	13.8
215.19896	1.0
217.15894	1.8
217.19460	3.8
219.17432	15.4
221.19014	1.3
223.14995	0.6
225.16353	2.5
227.17931	8.4
229.15952	0.5
229.19563	2.6
231.17398	4.6
233.19051	3.9
237.16397	0.8
239.18010	2.1
241.19472	3.1
243.15085	0.5
243.17513	1.6
243.21140	1.6
245.18982	21.7
247.20615	1.0
253.19583	2.2
255.08621	1.6
255.21034	4.0
257.19019	1.9
259.20563	3.6
261.22214	0.7
265.19611	0.7
267.21103	2.0
269.06494	1.0
269.19260	1.0
269.22650	2.4
271.20578	4.2
273.09573	0.9
273.22116	6.1
281.22614	1.3
283.20557	1.2
283.24066	0.9
285.22107	3.8
287.07611	1.6
287.23691	1.2
293.22696	0.7
295.24182	2.0
297.22018	0.7
299.23648	2.9
305.08643	4.2
309.11771	1.5
309.25830	0.9
311.23709	1.4
313.25214	3.5
323.09546	0.7
325.25226	1.1
327.26804	2.1
345.19449	0.6
347.27234	0.6
363.30258	2.7
365.19769	0.7
365.28299	0.8
381.31464	9.0
403.33606	4.2
409.34558	5.4
421.34604	55.5
422.34781	1.5
431.24701	0.5
439.35681	100.0
440.36066	1.7
457.36600	2.0
511.50427	0.5
579.36780	2.0
597.37872	12.7
615.38843	0.7
653.35889	1.1
767.32172	0.5
794.38629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.9
69.03427	2.2
69.07064	0.5
69.39108	2.1
69.78687	0.2
71.01356	0.4
71.05003	0.5
73.02908	2.3
79.05483	1.5
81.03413	2.3
81.07048	1.7
83.08621	0.5
85.02901	4.1
87.04478	0.5
91.03961	2.3
91.05476	1.4
93.07051	1.4
95.04996	0.8
95.08616	1.2
97.02887	3.8
97.06546	0.3
98.20779	0.4
99.04468	0.7
101.02383	1.6
105.07037	1.1
106.98797	0.2
107.04973	0.4
107.08617	0.6
109.02901	0.6
109.06534	0.3
109.10193	0.4
111.08128	0.3
117.07060	0.2
119.08614	0.6
121.10198	1.0
127.03101	0.3
127.03904	1.3
129.07048	0.4
131.08589	0.9
133.10155	0.5
147.11758	0.5
149.09673	0.7
157.10167	0.5
175.11203	0.4
185.04327	0.7
193.12251	1.2
203.05339	0.7
231.84041	0.2
235.13324	0.3
243.08449	1.7
251.11479	0.3
267.15994	0.4
269.12497	0.6
283.15225	1.6
335.26007	0.3
339.18002	0.8
347.09479	1.7
363.09073	0.3
365.10776	0.8
388.56638	0.2
405.13678	4.5
469.19357	0.3
483.22549	0.3
501.23080	7.4
501.30215	0.4
519.29199	2.9
617.40582	0.4
663.28363	6.5
681.34698	3.6
779.45416	1.3
941.50751	100.0
942.50732	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	941.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	7.7
69.03426	3.3
69.07057	3.8
69.27244	9.0
71.01357	1.2
71.04995	33.8
73.02913	5.4
75.04478	3.7
79.05483	4.8
81.03410	2.0
81.07059	16.3
83.04984	15.4
83.08612	1.9
85.02906	65.6
87.04446	1.4
91.03952	6.1
91.05473	4.6
93.07046	15.2
95.01329	12.9
95.04960	2.0
95.08607	34.4
97.02888	8.5
98.20652	1.8
98.55166	1.0
98.97595	1.2
99.00807	2.1
99.04442	1.6
101.02367	0.9
103.03974	1.9
105.07032	16.5
107.07866	1.1
107.08596	22.1
109.02882	0.9
109.06514	0.8
109.10146	29.0
111.04433	8.8
111.08086	2.8
113.02370	2.5
116.98653	1.2
117.06998	2.6
119.04942	1.0
119.08593	17.1
121.10137	12.8
123.07117	1.0
123.11700	6.0
127.03912	5.9
129.05484	20.1
129.06984	1.8
131.03398	1.1
131.08549	11.3
133.10123	17.7
135.11707	11.6
137.06091	1.1
137.13280	1.8
139.11195	1.7
141.01825	46.7
142.07726	1.2
143.08548	5.0
145.04950	4.9
145.10126	13.6
147.06482	9.2
147.11674	13.9
149.05945	1.0
149.13266	12.9
151.11206	1.2
155.08537	2.0
157.10109	6.7
159.02895	8.1
159.11696	15.6
161.13268	9.7
163.02820	1.3
163.06055	9.7
163.07431	1.7
163.14787	5.4
169.10107	1.9
171.11703	6.1
173.13266	15.2
175.11258	1.5
175.14854	7.8
177.04002	3.2
177.09015	1.3
177.16402	4.5
179.10710	2.1
183.11603	4.3
185.13274	8.4
187.14822	10.0
189.16399	11.5
191.10669	1.7
193.12198	4.5
195.11635	1.2
197.13246	4.0
199.14842	7.8
201.12692	1.1
201.16399	13.1
202.17094	0.9
203.10693	1.1
203.17920	1.7
205.12135	5.2
205.15894	3.2
207.13815	1.9
207.17429	5.8
209.13452	0.9
211.14835	3.2
213.16353	6.0
215.14311	2.0
215.17944	2.3
217.12331	1.2
219.13858	5.1
219.17464	2.5
221.15393	2.8
225.16431	1.3
227.14374	1.7
227.17941	4.1
229.12334	1.2
231.13770	2.1
233.15375	9.1
241.19482	1.1
243.13745	3.9
245.15359	26.0
247.16707	1.4
253.19568	0.9
255.08795	2.2
257.15439	6.6
259.16959	7.2
267.21231	1.3
269.06573	1.9
269.15472	1.2
271.16928	10.2
273.09586	1.5
273.18457	8.2
281.22623	1.4
283.16861	3.2
285.18448	6.6
285.21964	1.3
287.07501	2.5
287.20111	1.7
297.18530	1.2
299.20084	6.0
305.08673	3.8
309.11591	1.5
311.20111	3.4
313.21573	5.1
323.09668	1.4
325.21542	2.8
327.23224	2.4
339.09262	1.4
339.23215	1.7
379.26263	1.6
381.27835	11.5
393.31415	5.1
409.30975	9.3
419.29861	1.1
421.31015	100.0
422.31000	1.6
439.32068	86.0
440.32477	1.8
451.31400	1.1
457.33054	2.3
507.47229	1.0
597.34241	12.5
917.92871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79420	0.6
66.76700	0.5
68.99771	0.8
69.03426	6.9
70.06576	0.6
70.48342	1.9
71.04977	1.0
73.02898	2.1
79.05479	1.5
81.03412	8.9
85.02902	22.0
87.00829	8.3
91.03935	0.7
91.05476	1.4
95.04962	2.2
97.02888	8.3
98.21329	0.7
98.97576	0.6
99.04453	3.7
103.05473	2.1
105.01868	6.5
105.07018	1.5
107.04952	19.9
108.04465	3.4
109.02880	9.2
115.05445	1.2
117.01833	1.0
117.07007	1.0
121.06503	1.2
122.70272	0.6
123.04401	1.0
124.05210	0.7
125.05989	0.8
127.03919	12.2
128.04401	0.6
129.01834	1.4
131.04941	1.4
135.08029	6.3
137.05956	1.0
145.04927	4.6
145.07542	0.6
154.06259	0.7
159.02908	4.6
163.07538	21.7
167.07033	55.5
180.07857	1.9
181.08588	6.0
187.07545	0.7
191.06915	0.6
193.08601	0.9
195.10153	19.3
213.11205	100.0
214.11526	1.4
223.09633	0.9
231.04944	2.5
237.11136	1.7
248.07719	1.9
249.06018	0.7
255.12378	2.9
266.08801	1.4
279.12210	2.7
303.12259	5.7
321.13293	12.1
407.13419	0.8
408.31711	0.6
425.14529	1.2
465.12613	0.7
478.18796	1.2
688.82806	0.9
877.00537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.6
67.05505	54.4
69.03423	3.2
69.06715	1.1
69.07065	12.9
69.35436	8.3
69.35853	2.1
69.73348	0.9
71.04991	3.4
73.02488	1.0
73.02911	2.3
76.62584	0.8
79.05489	38.3
81.03415	82.6
81.07055	56.2
81.07425	0.5
83.04974	7.3
83.08617	21.2
85.02894	8.5
85.06541	1.9
91.03944	5.0
91.04896	1.5
91.05475	35.3
93.07042	46.0
95.04964	33.0
95.08604	40.5
97.02863	5.2
97.06534	4.1
97.10169	8.8
98.20704	1.7
99.08062	1.4
105.07027	28.7
107.04958	8.2
107.08590	26.6
109.02863	1.4
109.06537	5.9
109.10147	19.2
111.04420	2.8
111.08065	6.5
115.05463	1.6
117.07005	8.0
119.07784	1.8
119.08575	25.5
121.06513	3.8
121.10142	20.0
123.04408	2.1
123.08055	2.4
123.11701	6.9
125.09608	5.5
127.03915	2.4
128.06259	1.3
129.07004	11.4
131.08563	21.5
133.06490	3.5
133.10109	14.6
135.08055	2.8
135.11691	13.7
135.73389	0.9
137.09673	2.2
137.13234	2.1
141.06998	0.9
142.07793	2.8
143.08578	2.5
145.04933	3.3
145.10112	11.4
147.04417	1.8
147.08041	4.8
147.11694	12.8
149.09624	7.2
149.13257	7.8
151.11195	1.0
155.08549	1.5
157.10118	11.7
159.08080	1.0
159.11658	7.6
161.09676	1.5
161.12144	0.9
161.13242	5.4
163.05972	5.0
163.11191	2.9
163.14816	2.8
163.16138	0.9
165.12721	2.5
169.10124	1.3
171.11728	2.1
173.13268	8.4
175.11237	7.8
175.14807	2.0
177.16397	1.4
183.11624	1.4
185.13197	2.5
187.14839	3.9
189.11230	2.8
189.16373	1.1
193.12244	19.5
199.14902	1.9
201.16417	1.1
207.13863	1.5
211.13335	1.6
215.17853	1.2
227.12749	8.8
233.15353	1.4
235.13309	3.2
243.21060	5.1
247.16895	1.4
249.14944	2.7
259.13171	2.2
259.20413	1.2
261.18268	1.0
261.19171	1.3
261.22122	16.0
267.15903	100.0
273.14798	1.4
279.23172	1.7
285.22125	1.2
287.19977	1.2
301.14517	1.3
301.25165	7.3
309.17078	4.7
309.20383	1.2
317.24771	2.2
335.25784	78.1
336.26212	1.1
337.61154	0.9
359.25839	1.4
363.57892	1.0
403.24503	2.1
407.24347	1.1
417.31451	2.0
421.25928	3.2
435.27835	1.6
435.32449	4.7
449.28931	1.1
453.33658	10.1
463.30356	1.1
471.34915	6.0
475.30548	1.5
509.36441	2.4
527.37305	71.4
528.37207	1.5
545.38354	70.7
546.38501	3.0
559.39996	2.4
569.38391	7.8
577.41168	2.6
611.39319	1.8
623.39178	2.4
635.38928	1.8
653.40411	2.8
671.41321	2.5
755.15955	1.0
836.24634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.0
69.07066	4.6
69.44521	1.8
71.05000	0.3
71.08634	13.0
79.05494	0.8
79.84677	0.2
81.07058	7.2
83.05005	0.3
83.08621	4.3
85.06564	0.4
85.10181	7.9
89.06034	1.2
89.71334	0.2
91.05467	0.6
93.07030	0.9
95.08607	9.3
97.06528	0.4
97.10185	2.6
98.98463	5.0
99.11788	0.2
103.07584	0.9
107.08591	0.6
109.10155	4.7
111.11722	0.4
113.00022	2.8
119.08591	0.3
121.10120	0.5
123.11718	1.6
133.10197	0.3
135.11641	0.3
137.13254	0.7
155.01044	2.3
169.02626	2.0
173.02141	0.8
195.01767	0.2
212.48286	0.2
229.04738	0.4
239.23665	1.4
247.05775	0.3
257.24753	1.5
275.25650	0.2
276.35822	0.2
298.27280	0.3
313.27365	100.0
314.27719	1.6
337.27377	6.8
359.97522	0.3
393.24396	0.5
449.26639	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	929.5104
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
67.05508	15.7
69.03419	8.7
69.07063	11.0
70.06579	4.2
71.04984	3.5
71.60113	3.9
73.02916	16.8
79.05477	10.3
81.03391	2.6
81.07055	25.4
81.10434	2.1
83.08611	4.5
85.02430	3.5
85.02905	39.2
86.09711	2.5
91.03963	19.3
91.05461	7.6
93.07050	23.7
95.01325	22.9
95.08606	71.2
97.02880	29.0
99.00802	2.3
101.02349	2.2
103.03931	3.5
105.07011	22.8
107.08603	40.7
109.10154	57.2
111.08097	14.1
111.85335	2.1
115.03931	10.0
119.08563	31.4
121.09296	3.8
121.10134	36.0
123.11709	16.4
127.03901	9.7
131.08589	11.7
133.04947	5.4
133.10126	34.2
135.11685	28.1
137.13223	6.2
139.11130	4.3
141.01826	76.3
145.04958	14.8
145.10109	15.8
147.11684	23.5
149.13266	23.3
159.02893	14.1
159.11707	15.2
161.13239	29.0
163.06026	18.7
163.14848	20.0
165.12801	3.2
171.11728	3.0
173.13339	12.4
175.14844	21.9
177.03915	3.4
177.12852	2.9
177.16393	20.3
185.13295	2.8
187.14856	11.9
188.77118	2.4
189.16362	17.7
191.17935	9.3
193.15855	4.6
195.17380	6.0
199.14838	5.0
201.16362	18.9
203.17967	36.6
205.15836	7.8
205.19524	3.0
207.17436	8.9
213.16269	3.3
215.18004	16.6
217.15875	2.4
217.19489	27.1
219.17482	11.6
221.18959	10.0
227.17822	6.3
229.19545	21.0
233.18962	10.1
235.20552	3.0
241.19627	2.8
243.20985	4.7
245.19046	3.0
247.20616	11.8
255.04631	2.3
256.82526	2.3
257.22681	5.9
261.22247	4.3
269.22647	5.1
283.24139	3.0
301.25253	2.7
313.25150	2.9
315.26740	5.8
329.28574	2.8
365.20010	2.9
365.31897	4.5
383.32993	7.5
405.35172	17.1
411.36069	3.5
423.36221	99.3
424.36328	3.5
441.37280	100.0
442.37451	3.3
581.38220	9.5
599.39331	22.1
710.27130	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72526	0.1
67.01852	0.4
69.03430	5.4
70.06577	0.5
71.01331	0.2
71.04984	0.8
71.13890	0.2
71.14236	0.4
77.03907	0.3
79.05492	0.7
81.03416	7.6
81.07050	0.3
82.06567	0.2
83.04954	0.2
83.08620	0.8
84.08130	0.2
85.02417	0.3
85.02901	3.8
87.04475	0.4
91.05475	0.2
95.04981	1.2
97.02894	5.1
97.42843	0.2
99.04446	2.4
100.07606	0.3
100.11251	3.9
105.04536	0.2
107.04951	100.0
108.04494	0.4
108.05272	0.6
109.02876	5.0
111.04440	0.6
120.08150	0.2
121.64697	0.1
125.02377	0.2
127.03914	18.7
127.08663	0.2
128.07106	0.4
131.04938	1.0
134.99664	0.2
140.07027	0.2
145.04974	2.3
145.06238	0.2
145.06445	0.2
149.05986	0.4
151.03909	0.4
153.05455	2.8
157.72977	0.2
159.08032	0.2
169.05106	0.2
169.06470	0.2
173.05943	1.6
179.03442	0.6
182.15378	1.9
183.15755	0.2
187.07568	0.4
193.04980	0.2
195.06477	0.2
197.05998	1.0
207.06575	0.2
209.16476	1.1
210.14883	2.1
210.16690	0.3
213.09016	0.3
215.07013	3.3
219.06544	0.6
225.07568	0.2
226.19225	0.3
227.17491	0.2
228.16068	0.3
233.08037	1.3
237.07553	1.4
243.06525	1.5
249.07715	0.2
253.07085	0.3
261.07587	3.5
264.96445	0.2
279.08624	16.2
287.09137	0.3
297.09686	4.0
297.12839	0.3
303.08823	0.8
334.96823	0.2
345.09656	0.5
363.10699	0.5
367.11801	0.4
369.09695	0.6
371.11053	0.2
387.10660	0.9
395.11307	0.3
405.11984	0.2
413.12320	2.1
431.13391	5.9
453.33963	0.2
497.14474	0.2
503.13382	0.4
521.14569	0.6
539.15613	0.5
541.19635	0.2
709.21344	0.4
818.63745	0.2
923.69031	3.5
924.69348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	22.0
69.07076	9.2
71.12663	1.1
71.29873	1.9
71.30195	1.0
72.31001	0.9
79.05480	6.6
81.07056	23.1
83.08607	5.9
91.05488	4.6
93.07043	6.2
94.08856	1.0
94.45568	1.0
95.08608	16.8
97.06493	1.5
97.10168	2.1
98.06094	1.7
98.98461	7.1
98.99049	1.1
105.07036	3.1
106.77523	1.1
107.08596	4.4
109.10139	6.6
119.08586	2.4
121.10114	5.0
123.11682	2.0
124.01608	2.5
133.10168	2.2
135.11713	2.4
142.02658	1.8
149.13321	1.1
155.01068	5.7
163.14832	1.8
173.02159	1.8
198.05347	1.4
216.06371	3.9
245.22617	2.3
263.23682	5.8
263.90750	1.1
288.75247	1.1
306.27905	11.2
337.27359	100.0
338.27643	3.0
348.58603	1.1
417.23962	3.2
460.28232	32.7
478.29251	41.8
619.48248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.7
67.05502	12.2
68.05019	0.9
69.03436	2.1
69.07063	7.5
69.27013	1.6
69.27431	5.2
70.06590	0.9
71.04991	6.0
73.01133	1.6
73.02911	2.1
73.06576	0.7
74.00653	1.2
74.06065	0.6
76.02225	14.9
76.03999	2.6
79.05487	9.0
80.05008	1.4
81.03415	2.5
81.07053	30.6
83.04977	1.6
83.06099	4.9
83.08624	6.5
84.04500	8.0
85.01128	0.7
85.02901	8.6
85.06532	5.7
86.99051	8.0
87.02666	4.1
87.04476	0.7
88.02216	2.5
91.03977	3.4
91.05479	9.1
93.07038	10.8
95.04948	1.3
95.08602	36.8
97.01121	1.2
97.02884	5.7
97.06527	10.7
97.10168	1.8
98.21497	1.1
99.02690	1.2
99.05590	2.8
99.08083	4.5
100.02188	1.0
101.02434	0.7
101.04253	0.9
102.05549	1.8
103.05550	0.6
105.07032	10.8
105.07703	0.5
107.08588	6.3
109.06499	1.4
109.10156	3.4
111.02666	1.8
111.08089	2.6
113.04227	2.3
113.09636	1.4
114.03725	1.4
114.05499	0.8
115.02147	1.4
116.01669	40.5
119.08575	17.0
120.08087	0.7
121.10126	5.0
123.08077	2.5
125.04208	1.8
127.03922	1.8
127.05783	0.7
129.06598	7.5
130.05003	5.0
131.08546	1.2
133.03163	1.1
133.10124	15.0
134.06032	1.3
135.11685	7.2
137.04178	0.9
137.09641	1.5
137.13240	4.9
140.01622	0.8
141.04836	0.9
142.03221	16.6
144.01137	20.4
145.05060	1.3
145.06102	3.8
149.13246	1.9
150.05772	0.7
153.06573	1.6
159.11739	1.3
161.13246	38.0
162.02193	41.5
167.14334	1.2
170.02702	5.6
175.14778	0.7
176.07202	0.7
177.03300	1.6
178.15938	1.3
179.04831	2.2
179.14305	24.9
181.06068	2.4
185.13126	1.0
186.02187	1.9
186.07619	2.7
187.05420	1.7
188.03786	0.9
193.10550	0.8
195.13716	0.7
197.15306	7.0
199.05447	1.0
199.07167	1.8
204.08635	1.6
208.06133	1.9
211.07175	0.7
211.11670	0.7
213.13019	1.6
215.04909	1.6
218.04727	2.8
221.15407	0.7
227.04813	0.6
233.05940	0.9
237.13062	2.8
238.07146	1.6
241.18013	0.7
243.04456	1.6
245.05846	2.8
253.17908	3.1
254.15804	1.6
255.14124	6.2
255.16536	0.7
271.03867	0.7
271.19019	22.2
272.16788	6.3
273.15240	1.0
274.09216	1.6
289.04816	6.1
289.07239	0.6
300.16336	2.3
329.17813	4.8
340.15903	0.8
346.20380	0.9
347.18872	6.4
358.16727	1.4
364.21387	1.3
374.19885	0.7
375.18875	0.7
376.17981	0.7
401.21222	1.4
429.20743	1.1
431.22070	1.2
432.20480	7.0
449.23181	14.6
450.21487	4.7
458.22241	0.8
467.24210	64.6
474.25064	0.7
491.24142	0.6
503.24146	6.1
504.23621	1.1
509.25333	1.6
515.24249	3.9
521.25275	11.3
559.23022	1.5
560.26477	1.1
578.27435	28.0
579.26648	0.8
596.28442	100.0
597.28845	1.7
629.29517	7.2
638.29553	1.9
665.30511	0.8
674.29279	1.1
683.30554	2.1
704.30377	0.9
740.32629	3.3
758.33704	30.5
791.33942	1.4
845.35468	0.8
902.38586	0.7
920.38861	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	919.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	4.6
67.05503	80.5
69.03426	60.0
69.07072	17.0
70.99510	1.9
71.01352	2.1
71.04989	15.0
73.02927	4.7
77.03874	0.9
78.71370	0.9
79.05490	57.4
81.03416	96.6
81.07053	100.0
83.04980	8.2
83.08623	7.8
85.02903	25.3
85.06526	2.1
87.04455	1.3
91.03942	3.1
91.04900	1.0
91.05476	40.6
93.07040	69.2
95.04961	12.2
95.08604	72.3
97.02888	37.8
97.06512	3.5
97.10170	5.3
99.04450	29.5
99.08075	2.2
100.81146	1.1
101.02380	4.7
103.03960	4.7
105.04492	1.7
105.07028	29.7
107.04923	2.1
107.08590	39.3
109.02110	1.5
109.02875	30.7
109.06506	4.3
109.10147	35.9
111.04439	5.6
111.08074	2.3
113.02368	1.7
113.09660	0.9
115.03933	1.1
115.05467	1.7
117.05444	1.5
117.07008	12.8
119.08578	21.0
121.06506	3.0
121.10138	34.4
123.04434	2.7
123.08053	2.4
123.11712	15.8
125.09625	2.3
127.03911	70.9
129.05450	3.5
129.06981	4.8
130.07814	1.3
131.08566	21.5
133.06506	1.2
133.10133	16.7
134.54410	1.0
135.04462	1.1
135.08098	1.4
135.11687	28.7
137.09641	2.4
137.13240	5.4
139.03931	1.1
139.11145	1.3
141.06967	1.6
143.08546	3.6
144.69385	1.0
145.04936	5.9
145.10118	17.7
147.08014	1.7
147.11690	15.3
149.09576	3.6
149.13245	17.8
151.03879	2.6
151.11151	2.6
151.14850	1.6
153.12729	1.1
155.08524	1.6
157.10112	3.9
159.07941	1.4
159.11676	18.6
161.13278	11.8
163.03888	0.9
163.11137	1.5
163.14836	7.9
165.12721	2.0
167.08484	1.1
169.10091	1.6
171.08034	1.2
171.11676	3.5
172.92261	1.0
173.04451	41.5
173.09683	1.0
173.13268	14.9
175.11159	1.5
175.14825	4.2
177.12752	1.9
177.16353	3.0
179.14256	2.8
183.06573	1.7
183.11693	2.4
185.13231	3.7
187.11166	1.2
187.14799	8.2
191.14304	1.8
197.13069	1.3
199.14706	1.4
201.16293	2.1
205.15878	1.9
209.13307	1.4
215.18024	1.3
233.22647	1.9
241.19485	1.4
243.21063	15.6
253.07022	2.1
257.19180	1.1
259.20560	3.4
261.22134	52.0
271.08133	1.9
272.28516	1.1
277.21619	3.0
279.23199	3.8
289.21558	2.4
301.21896	1.4
303.23038	2.2
335.25784	43.7
341.24683	2.3
341.89240	1.0
351.22855	2.3
353.26788	6.4
359.25507	1.5
363.25284	24.3
369.24365	5.5
387.25323	2.8
405.26080	6.6
443.27814	2.3
479.29984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62466	1.6
67.05504	43.1
69.03420	4.4
69.07075	12.2
71.01353	3.3
71.04967	2.3
71.61453	2.4
73.02899	5.1
79.05491	31.2
81.03403	5.8
81.07059	44.9
83.04960	2.5
83.08612	10.4
85.02894	9.9
86.09695	3.0
91.03951	7.1
91.05483	31.4
93.06473	2.5
93.07043	36.7
95.04971	8.2
95.08617	29.1
96.04491	1.8
97.02898	10.8
97.06522	4.4
97.10113	2.2
99.00816	15.8
101.02367	2.0
103.05414	2.5
105.07027	24.9
107.04928	5.1
107.08602	19.6
109.02866	7.3
109.06499	3.6
109.10140	13.8
111.08099	4.4
115.03934	2.2
117.06990	6.4
119.08582	14.3
121.06483	6.2
121.10149	13.7
123.04382	2.0
123.08080	3.4
123.11689	4.9
127.03901	4.7
128.06232	2.4
131.08527	8.5
133.10130	31.7
135.11732	10.0
135.12560	2.0
137.09593	2.4
139.07509	2.9
143.08543	4.3
145.04942	2.1
145.10117	5.2
147.11734	3.2
148.35062	1.9
149.13206	5.8
151.11209	8.6
159.11746	4.5
161.09628	15.6
161.13295	3.0
163.06035	3.2
163.14795	2.4
171.08124	4.0
173.13240	2.9
179.10683	7.3
180.58574	1.6
187.14812	1.8
189.09125	9.2
197.11713	4.6
207.10185	2.6
225.11244	12.7
227.84537	1.9
243.12535	1.9
243.21036	5.2
257.08673	1.7
259.20746	1.8
261.22168	19.6
277.21661	2.0
281.13898	3.6
299.14899	100.0
311.25760	2.8
315.23132	3.2
317.24649	2.5
335.25787	68.9
336.26224	3.7
418.12918	2.3
440.09348	2.0
447.07568	2.0
467.31476	4.7
485.32300	2.7
513.35602	3.5
531.36639	2.4
540.51837	1.9
541.35297	12.1
559.36194	34.6
566.83289	1.9
577.37524	5.1
642.97107	2.1
741.40936	2.2
918.46417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.6
67.05502	43.1
69.03425	3.3
69.07067	10.5
71.04984	1.9
71.59740	2.4
73.02911	3.7
78.58116	1.8
79.05489	32.8
81.03439	3.6
81.07059	46.0
83.04971	2.8
83.08616	12.2
85.02903	11.7
85.06528	2.5
91.03949	6.2
91.05481	28.5
93.07043	42.5
95.04971	7.0
95.08611	27.2
97.02890	7.5
97.06522	4.5
97.10169	2.9
99.00811	11.7
105.07022	26.6
107.04967	5.9
107.08595	21.0
109.02883	8.2
109.06549	2.0
109.10152	17.3
111.04389	1.9
111.08047	3.2
115.03892	3.7
117.06998	9.8
119.08571	16.5
121.06506	6.1
121.10151	17.4
123.04401	2.5
123.08076	2.3
123.11697	5.8
125.09686	2.7
127.03919	4.5
128.06200	2.6
131.08560	9.8
133.06390	2.3
133.10135	36.4
135.11697	13.0
135.99377	1.7
143.08549	5.4
145.04933	3.1
145.10132	7.2
146.49768	1.8
147.11684	5.1
149.13284	4.7
151.11183	10.9
159.11671	4.9
161.09618	17.9
161.13268	5.5
163.06050	4.8
163.14795	3.9
165.49698	2.4
171.08008	4.2
173.13274	7.9
175.14932	1.9
179.10678	8.0
187.14796	2.6
189.09109	8.9
193.12125	1.8
197.11667	3.2
201.25064	1.7
207.10168	4.2
225.11241	13.6
243.12202	2.2
243.21132	7.8
261.22165	19.0
279.23016	2.7
281.13870	3.4
299.14896	99.6
300.15292	3.4
315.23254	2.7
317.24713	2.3
335.25800	100.0
336.26224	2.9
355.22827	2.0
435.89954	1.8
448.81702	1.8
449.30609	3.7
454.89099	1.7
467.31616	6.0
485.32428	5.3
513.35608	3.1
515.36725	3.2
523.33911	2.6
531.36932	4.4
541.35144	18.9
559.36334	75.9
559.45239	3.6
560.36407	2.3
660.08875	1.8
755.38367	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	10.3
68.63042	0.8
69.03423	1.8
69.07051	4.3
71.04987	1.2
71.08630	17.0
71.09009	1.9
71.61164	0.8
71.61617	1.3
73.02912	1.7
79.05486	7.1
81.03417	50.5
81.07056	11.6
83.04966	2.9
83.08618	14.8
85.02897	4.6
85.10175	10.0
89.06035	1.2
91.03953	2.5
91.05486	10.0
93.07040	5.1
95.04974	13.7
95.08606	13.7
95.81801	1.0
96.86488	1.0
97.02885	3.3
97.06524	1.2
97.10165	3.7
99.11771	0.9
105.07035	6.8
107.04958	3.9
107.08587	1.4
109.06521	1.9
109.10158	7.9
111.04425	1.2
111.08080	4.6
115.05379	1.4
116.38020	1.2
117.06986	1.7
119.08576	6.1
121.06522	1.5
121.10121	3.9
123.04453	1.1
123.11713	1.8
129.07018	5.9
131.08551	3.7
133.06477	1.8
133.10130	3.5
137.13315	1.3
145.04955	1.6
147.08028	1.8
147.11687	4.9
149.09618	3.8
157.10114	6.1
163.06000	2.7
165.12782	1.7
175.11179	5.5
193.12250	21.2
193.13873	2.0
198.92166	1.2
239.23602	1.6
249.14838	1.8
257.24881	2.0
259.13324	2.4
267.15912	100.0
301.14398	2.5
309.16940	2.4
312.58966	1.1
313.27365	92.7
319.15225	1.6
340.06741	1.0
421.20996	1.2
505.38867	89.2
514.21460	1.1
523.39905	1.3
547.39899	7.0
555.40472	1.6
568.76392	1.2
589.40790	1.1
601.40741	2.3
613.40460	2.2
631.41675	1.6
649.43982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.6
69.07055	0.7
69.44534	0.8
69.44933	3.9
73.02897	0.4
79.05501	0.7
81.03414	1.1
85.02419	0.7
85.02906	9.3
87.04477	1.2
91.05479	2.2
93.07038	0.8
95.05001	0.7
97.02914	2.4
105.07029	8.9
107.04953	1.3
107.08572	0.6
109.02882	1.5
109.06511	1.9
115.05442	0.8
117.07005	1.5
119.04936	0.9
119.08591	1.9
121.06451	1.3
123.04482	0.6
123.08022	1.1
125.05946	0.5
127.03895	0.8
128.06216	2.9
129.07024	2.2
131.08597	3.3
133.06506	2.8
133.10123	1.9
135.08063	2.2
141.06979	1.4
142.07797	2.8
143.08556	10.6
144.05772	0.7
145.06487	4.4
145.10135	0.7
146.07242	0.6
147.08058	4.0
149.05984	1.3
154.07794	0.6
157.06511	0.7
157.10124	4.1
159.08058	8.3
159.09290	0.4
161.06018	2.3
161.09622	9.5
163.07552	2.0
165.09116	0.9
167.08566	1.6
169.10098	1.0
170.07167	0.9
171.08047	8.5
173.06000	1.3
173.09706	0.6
175.07545	2.2
175.11182	1.2
181.08577	0.7
183.05341	0.5
185.09625	9.6
187.07562	2.6
188.08371	1.2
189.09105	31.2
191.07021	1.5
195.08141	1.3
198.06776	0.5
201.09013	1.0
203.10620	3.2
205.08572	3.0
207.10263	1.5
213.09081	7.4
213.10945	0.6
215.10562	0.7
217.08739	0.8
226.89566	0.5
229.08717	0.8
231.10178	8.4
241.08664	2.0
249.11215	4.5
259.09695	2.7
277.10715	2.7
295.11755	100.0
453.91129	0.5
533.65070	0.5
567.65070	0.5
819.69055	0.6
833.34540	0.5
909.26611	0.5
916.88904	0.6
935.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.5
70.00427	1.4
71.95276	0.3
73.32491	0.3
74.97603	0.7
81.03413	0.3
81.07064	0.4
84.96033	9.8
91.05433	0.3
94.97319	0.2
98.97581	5.8
102.97068	2.3
110.97581	0.5
112.99108	0.4
116.98615	6.1
120.98106	0.9
121.10177	0.4
122.38069	0.3
124.99123	0.6
128.98596	2.1
131.00168	1.2
134.99664	4.1
140.00237	0.4
140.98599	0.9
143.00153	5.1
144.98077	2.6
146.99654	3.6
149.01234	2.0
153.00757	0.4
155.00127	1.0
157.01765	0.9
158.01262	0.5
158.99658	2.6
161.01221	13.2
162.99150	5.3
163.00481	0.5
165.00792	0.8
167.02324	1.0
170.01297	0.4
172.94238	0.5
173.01222	2.9
175.02832	0.7
177.00684	1.6
179.02299	2.4
180.94762	0.7
181.00211	0.7
182.99666	2.5
184.02832	0.9
185.01270	0.5
186.00766	0.4
189.00688	0.4
190.95393	1.5
191.02266	1.2
195.01743	0.4
196.02992	0.3
198.95854	4.3
201.00717	8.6
201.02557	0.6
202.03928	0.3
203.02357	0.8
206.96365	0.4
212.97467	0.7
216.96982	0.9
217.03929	0.3
219.01768	2.2
221.97414	0.4
222.95816	0.5
224.02359	0.9
224.97424	1.1
228.96928	1.5
240.96873	3.3
242.98518	2.0
245.10629	0.3
246.95891	2.3
246.98051	1.1
254.98389	0.5
258.98019	1.1
264.96906	7.4
279.12808	0.3
282.97943	14.8
287.98575	1.1
294.11218	0.3
296.99533	0.5
300.98972	10.0
305.99564	2.2
317.17880	23.1
319.19540	0.3
324.00632	0.8
335.18924	9.6
353.20001	0.3
357.01651	1.3
358.20557	2.4
375.02374	1.2
391.21649	1.0
489.18011	0.6
557.20697	0.4
599.22009	0.6
612.39130	0.3
617.23004	100.0
618.23370	2.4
911.47546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.6
69.03425	4.1
69.07065	0.9
71.01363	0.7
71.04986	0.5
71.60460	0.4
73.02917	3.9
79.05500	1.9
81.03413	2.1
81.07051	3.2
83.04969	0.3
83.08604	0.7
85.02901	6.7
86.09709	0.7
87.04483	0.7
90.02673	0.3
91.03957	3.5
91.05482	1.4
93.07040	2.5
93.71723	0.3
95.05002	0.9
95.08613	2.0
97.02888	5.2
99.04462	0.9
103.04006	0.5
105.07059	1.4
107.08583	1.5
109.02916	0.9
109.06548	0.4
109.10162	1.0
115.03988	0.3
117.07005	0.3
119.08576	0.8
121.10165	0.9
127.03927	1.6
131.08614	0.6
133.10117	0.7
135.11746	0.5
145.04988	0.6
149.13147	0.3
157.10202	0.3
185.04312	1.0
193.12325	0.5
203.05295	0.8
243.08461	1.8
251.12708	0.5
256.00763	0.3
259.08041	0.3
269.12317	0.7
307.14816	0.3
311.25909	1.6
335.25986	0.8
347.09494	2.0
363.09241	0.5
365.10767	1.0
405.13638	4.8
469.20462	4.2
474.41324	0.3
475.91660	0.3
519.29297	4.6
631.25726	2.5
652.50879	0.4
681.34442	6.5
747.42914	1.3
909.48151	100.0
910.48523	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	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.3
69.03426	3.4
70.31392	0.4
70.31725	1.7
71.04984	0.4
73.02916	2.7
79.05500	2.3
81.03418	1.3
81.07063	2.6
83.04978	0.6
83.08612	0.4
84.96005	0.4
85.02912	4.1
91.03960	2.4
91.05478	1.5
93.07024	2.7
95.04977	1.1
95.08606	2.9
97.02885	4.3
99.04435	0.7
101.02390	1.8
102.55822	0.5
105.07032	1.0
107.08607	1.8
109.10163	0.6
115.03948	0.4
117.07021	0.6
119.08595	1.0
121.09296	0.4
121.10155	1.3
127.03951	1.1
131.08624	0.5
131.82671	0.4
133.10155	0.6
135.11682	2.9
145.10165	1.3
153.72372	0.4
163.11192	3.1
203.05255	0.7
227.12740	2.5
243.08418	3.3
249.10997	4.9
249.13412	0.5
252.16068	1.5
253.16254	0.5
305.13519	2.1
325.97375	0.4
326.19730	0.8
335.25995	0.5
340.57339	0.4
347.09372	2.3
365.10974	0.5
405.13577	5.5
405.18356	0.4
467.18881	9.9
467.25089	0.6
468.20422	0.4
519.29303	4.7
547.39557	0.4
582.43542	1.1
583.35669	0.6
583.44116	1.4
629.24139	7.2
681.34430	3.5
745.41595	2.1
749.02747	0.5
907.46570	100.0
908.46893	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	907.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.0
69.03427	2.9
69.07079	1.0
69.66135	3.1
71.04989	1.0
73.02914	3.6
76.57558	0.4
79.05493	2.9
81.03439	2.3
81.07069	3.0
83.08633	0.5
85.02909	6.7
86.09717	0.5
91.03947	3.8
91.05506	1.4
93.07042	3.1
95.04996	1.0
95.08584	3.3
97.02885	5.8
99.04463	0.8
101.02399	1.3
103.04004	0.5
105.07050	1.2
107.08620	1.8
109.02902	0.9
109.10163	0.8
117.07068	0.6
119.08607	1.2
121.10195	1.5
127.03946	1.5
128.71304	0.4
131.08588	0.5
133.10162	0.7
135.10864	0.5
135.11681	2.5
145.04994	0.5
145.10147	1.0
163.11221	1.8
185.04250	0.6
203.05255	0.8
227.12920	1.6
243.08434	2.6
249.11002	7.6
249.13332	0.6
268.16293	0.4
305.13773	1.5
335.25769	1.2
347.09473	2.0
355.69348	0.5
363.51508	0.5
365.10635	0.9
396.72308	0.5
405.13644	5.4
416.79160	0.5
467.18857	5.6
519.29364	6.6
546.38965	0.7
547.39935	0.7
548.38757	0.8
629.23999	3.0
681.34460	6.6
745.41034	2.6
907.46576	100.0
908.46960	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	907.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32378	0.8
66.85625	0.8
69.03421	2.8
70.06581	3.0
72.08149	1.6
79.05489	1.2
79.59635	0.7
79.68063	0.8
81.03429	2.9
85.02914	2.0
86.09689	2.0
87.00815	1.6
89.03902	1.5
91.05454	1.0
93.05755	0.9
94.06573	1.3
96.08157	2.5
97.02883	3.6
99.04455	1.0
105.01863	1.0
106.06558	0.9
108.08115	5.7
109.02891	5.4
110.07126	0.8
110.09639	4.1
110.54008	0.8
116.04979	2.6
120.04568	1.2
120.08100	3.7
121.88875	0.9
122.06017	8.0
122.09679	1.2
123.62572	0.9
124.07599	3.9
127.03915	4.9
134.06052	1.3
136.07574	9.5
138.09154	8.2
144.04445	7.2
145.04982	1.4
146.06030	4.0
148.07562	2.2
150.05505	1.5
150.09138	3.0
152.07039	2.0
160.03964	2.1
160.07599	1.5
161.07082	1.0
162.05460	4.8
166.08635	19.2
170.09593	2.2
172.03938	40.3
172.07512	1.2
172.11249	1.0
174.05508	2.5
186.07697	0.9
187.12291	3.2
190.05003	8.6
191.05623	1.0
198.09142	19.1
200.09297	1.2
204.06560	74.6
212.10922	4.1
215.11798	15.9
222.07603	2.1
225.10197	1.0
226.08690	4.9
227.11685	2.2
228.08752	0.9
229.09782	1.7
237.10349	1.0
240.10287	1.1
241.09723	1.0
241.13345	1.3
243.11293	91.3
244.11639	2.7
250.10664	0.9
251.11823	1.1
255.11313	10.5
257.12878	4.5
267.11298	1.2
279.11417	2.5
283.10776	1.4
285.12332	84.9
297.12534	1.8
301.11789	9.9
303.13385	100.0
304.13684	1.8
307.10806	2.2
325.11664	7.0
329.15018	1.6
339.13455	2.5
343.12811	1.9
357.14478	16.1
358.15253	1.9
359.16052	2.4
398.39828	1.0
430.17606	1.2
462.16443	3.1
470.16940	1.6
474.16721	4.4
476.18314	1.5
494.19107	2.8
559.19086	1.1
573.17102	5.6
583.25537	3.1
599.25018	1.9
605.19409	2.4
609.23425	2.2
627.24554	22.9
641.26654	6.6
659.26727	3.1
680.55835	1.0
875.28851	1.5
889.30237	1.3
907.41797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.1
65.87349	0.4
67.05502	32.0
69.03427	3.6
69.07063	7.7
71.04987	2.4
71.60276	0.5
73.02916	2.7
77.03893	0.6
79.05489	25.5
80.05776	0.3
81.03415	33.6
81.07052	33.0
83.04978	9.2
83.08150	0.7
83.08615	13.6
85.02902	20.2
85.06504	1.2
87.04438	0.5
91.03392	0.5
91.03952	6.6
91.04900	0.7
91.05476	23.2
93.07038	24.8
95.04359	0.8
95.04964	14.7
95.08602	20.0
97.02885	6.4
97.06523	2.6
97.10171	3.4
99.04443	0.8
99.08070	1.2
103.05409	0.4
105.07027	16.2
107.04949	3.5
107.07861	0.6
107.08588	12.4
109.02855	0.6
109.06517	3.4
109.09451	0.6
109.10146	7.9
111.04408	1.4
111.08074	7.1
113.05981	1.4
115.05418	0.8
117.06995	3.2
119.04887	0.5
119.08572	15.6
121.06519	0.7
121.09320	0.8
121.10140	12.8
121.11018	0.8
123.08026	1.5
123.11666	3.3
125.09609	1.4
127.03899	2.3
129.06993	6.4
131.08568	11.1
133.06488	1.7
133.10127	9.6
135.08017	0.4
135.11688	5.4
137.09576	1.4
137.13161	1.0
142.07745	1.6
143.08540	0.7
145.04930	2.6
145.10104	5.1
147.08023	2.0
147.11684	11.6
149.09648	3.9
149.13274	2.4
151.11092	0.5
155.08522	0.7
157.10124	8.5
159.11707	2.7
161.13254	2.3
163.06018	2.9
163.11264	0.6
163.14799	1.3
165.12805	2.1
169.10013	0.6
171.11644	0.8
173.13272	2.8
175.11169	8.2
175.14726	0.5
177.16338	0.7
180.08673	0.4
185.13252	0.6
187.14781	1.6
189.11168	0.8
193.12233	29.3
201.16460	0.6
211.13283	59.7
223.14790	0.5
227.12787	1.3
229.14311	0.5
243.21083	2.6
259.20523	0.5
261.22144	8.5
265.14584	0.5
267.15900	14.1
283.15524	0.7
285.16949	72.7
286.17297	0.7
299.23849	0.7
301.25226	1.2
303.23260	0.5
317.24835	2.5
335.25790	63.9
336.26181	1.0
401.95071	0.4
417.31842	0.6
435.27106	0.6
435.32327	2.3
453.33551	2.1
471.34866	1.4
509.36185	0.6
527.37341	15.6
545.38361	100.0
546.38513	2.0
563.39752	0.6
814.59271	0.4
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
65.03948	1.8
67.05503	29.2
67.92792	0.3
69.03426	3.0
69.07064	6.8
69.96111	0.7
69.96515	1.2
71.01327	0.4
71.05000	2.3
72.98573	0.3
73.02916	1.7
77.03893	0.5
79.05489	24.1
81.03414	25.7
81.07053	33.0
83.04980	6.4
83.08616	12.5
83.75230	0.3
85.02902	17.3
85.06496	1.3
87.04436	0.4
91.03958	4.4
91.05476	20.5
93.07040	24.6
95.04969	12.7
95.08602	20.1
97.02289	0.4
97.02886	5.8
97.06516	2.2
97.10172	2.2
99.04416	0.5
99.08041	1.0
102.59303	0.4
105.04478	0.5
105.07024	15.1
107.04945	2.7
107.08589	12.4
109.02854	0.5
109.06521	2.0
109.09457	0.5
109.10153	7.4
111.04412	1.2
111.08077	4.7
112.96197	0.3
113.05991	1.0
115.05386	0.9
117.06327	0.3
117.07012	3.2
119.04954	0.4
119.08578	13.2
121.06430	0.8
121.10138	12.0
123.08038	2.0
123.11696	3.4
125.09609	0.8
127.03928	1.4
127.07571	0.4
128.67703	0.3
129.05516	0.4
129.06993	5.7
131.08566	9.1
133.06520	1.5
133.10126	8.4
135.11691	5.1
137.09589	1.6
137.13200	0.9
142.07716	1.3
142.23409	0.3
143.08604	0.4
145.05005	1.7
145.10121	4.1
147.08020	1.2
147.11684	8.4
149.09625	2.7
149.12190	0.3
149.13257	3.5
151.11124	0.5
157.10132	7.3
159.11678	2.3
161.13335	1.9
163.06036	1.9
163.11140	1.1
163.14838	1.5
165.12733	1.5
171.11610	0.5
173.13295	1.9
175.11192	6.2
175.14708	0.8
177.16315	0.4
178.39615	0.3
179.32634	0.3
183.11650	0.3
185.13237	0.6
187.14798	1.2
193.12241	19.8
199.14731	0.3
201.16447	0.4
211.13280	30.0
227.12784	0.8
243.21024	2.2
249.14795	0.5
261.22144	9.3
261.37277	0.3
267.15909	9.4
278.13440	0.3
283.15268	0.4
285.16956	40.3
286.17191	0.4
299.23679	0.4
301.25232	0.7
303.23450	0.5
317.24759	2.3
335.25790	65.5
336.26031	0.8
417.31558	0.7
435.32574	1.5
453.33630	1.3
464.36807	0.3
471.34729	0.9
509.35895	0.5
512.71143	0.3
527.37341	12.5
545.38354	100.0
546.38751	1.6
563.39557	0.8
573.22253	0.3
689.41840	0.5
818.07959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05009	0.4
69.07057	1.1
70.06590	84.1
71.32664	1.0
74.02447	0.7
74.06078	37.5
77.13445	0.4
84.04502	13.1
85.02922	0.4
86.06068	0.4
86.09705	7.3
87.05587	2.7
88.03993	1.4
96.08164	0.5
98.06073	2.4
101.07160	0.7
102.05544	6.4
111.09235	0.4
112.03988	1.7
112.07601	1.9
113.07140	2.1
116.03471	0.7
126.09180	0.6
129.06581	0.7
130.05032	0.7
130.08641	6.4
131.08156	0.4
132.76352	0.4
133.06084	11.4
137.07089	0.4
139.05034	0.5
139.08658	3.4
140.07014	0.8
141.06592	9.3
142.12268	0.5
143.11787	0.7
157.09758	2.7
159.07677	0.8
167.08162	9.2
168.06516	0.7
169.13361	1.6
175.10796	2.4
178.09915	0.5
180.07672	0.6
181.06111	1.8
181.09700	0.5
182.04451	0.7
185.09215	24.8
187.14374	2.2
195.07690	2.1
196.10841	0.6
197.12953	0.4
198.08800	0.6
199.07207	1.6
199.10771	22.9
203.10217	2.2
207.07692	0.9
209.05579	1.2
209.09177	0.5
213.08723	1.2
215.13837	0.6
224.10362	2.9
226.08284	1.4
227.06693	8.1
227.10229	16.1
231.09793	2.2
240.13441	2.0
241.08212	2.6
241.11890	0.6
242.11337	2.4
242.49757	0.4
244.09299	6.5
250.12129	0.4
252.16985	0.7
259.09222	2.0
262.10349	5.2
268.12897	11.0
282.14642	0.7
286.13986	11.7
288.05679	0.5
298.17484	0.5
304.15030	4.1
328.15219	0.7
356.10489	0.9
356.14517	9.7
356.18527	0.8
371.22879	1.4
389.23718	2.1
391.14838	0.5
399.22339	7.5
399.27222	0.6
399.88052	0.5
410.15201	0.4
417.23499	2.6
470.18604	2.0
471.17203	6.0
488.19861	100.0
489.20071	1.5
496.27448	0.5
601.28455	2.4
641.26819	0.7
659.28821	0.9
724.55762	0.5
736.34717	0.9
754.35675	1.7
772.36975	0.5
904.43213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.6
69.07070	3.4
71.08631	12.2
71.60875	1.2
81.07055	4.6
83.08617	3.2
85.10176	6.3
95.08602	6.4
97.10149	2.0
98.98463	4.6
103.07539	0.6
107.88714	0.8
109.10173	3.6
111.11800	0.7
123.11707	1.7
124.01601	0.7
142.02658	1.7
155.01036	4.1
173.02126	1.0
176.71648	0.6
190.96367	0.6
198.05287	1.5
216.06311	2.1
239.23758	1.7
273.29099	0.7
282.27933	11.2
283.28171	0.8
313.27359	100.0
314.27744	3.6
385.58649	0.6
393.24075	7.7
436.28217	25.3
437.28821	1.0
454.29254	26.7
455.29486	0.8
501.68790	0.8
524.05200	0.6
597.06317	0.7
642.88788	0.6
841.42450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	2.5
67.05508	39.2
69.07073	9.7
69.95373	8.7
71.04994	2.3
73.02908	6.1
79.05490	33.2
81.03432	11.6
81.07056	39.8
83.01341	9.3
83.04980	11.0
83.08614	13.4
84.08914	1.7
85.02906	21.6
91.03960	10.6
91.05477	22.5
93.07047	47.3
95.04987	9.9
95.08608	30.3
97.02923	8.7
97.06511	4.2
97.10149	3.6
99.04444	3.2
105.07034	18.6
107.04963	6.5
107.08593	25.7
109.06483	4.6
109.10159	12.6
111.08104	3.3
113.09629	1.7
117.07011	10.9
119.08556	12.3
121.06494	3.4
121.10138	20.6
123.08074	7.5
123.11680	2.8
127.03914	2.1
131.08575	11.9
133.10115	5.3
135.08128	3.3
135.11702	15.3
137.09602	2.0
137.13182	2.0
143.08527	2.5
145.05008	4.1
145.10123	19.6
147.11696	5.3
149.13232	4.8
151.11107	2.2
153.12761	3.4
155.08580	1.8
159.11682	4.9
161.13252	4.3
163.06018	5.2
163.11160	20.3
173.09689	3.1
173.13275	2.6
175.14841	2.3
181.12193	3.7
187.14897	3.1
189.11266	1.9
191.10623	3.6
204.69513	1.9
209.11748	8.4
227.12781	13.9
229.14598	1.7
243.21065	2.9
259.20459	2.4
261.22086	12.1
267.15826	3.3
283.15405	100.0
299.23688	4.8
315.27811	1.8
317.24841	5.0
335.25821	75.7
335.29898	4.1
379.42935	1.8
433.31042	2.7
451.32001	5.8
510.11700	1.8
525.35919	10.0
543.36798	60.4
544.37384	2.4
561.37622	3.3
626.97821	1.9
662.81110	2.2
789.34857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	4.6
67.05506	59.0
69.03438	4.5
69.07075	16.0
71.04983	4.9
73.02921	4.8
79.05052	4.3
79.05495	59.3
81.03426	15.9
81.06568	3.8
81.07059	62.9
82.88564	2.1
83.01334	8.9
83.04993	15.6
83.08625	17.9
85.02916	22.8
85.06522	2.4
87.04444	2.2
91.03951	14.1
91.05476	28.7
93.06461	4.4
93.07046	66.1
95.04442	2.4
95.04940	13.0
95.08609	49.2
97.02883	14.5
97.06514	6.9
97.10176	6.1
98.21526	4.5
99.04470	3.6
105.07037	23.6
107.04956	7.1
107.08591	31.7
109.06519	7.1
109.10145	21.3
111.04507	3.3
111.08083	2.3
117.06988	12.9
119.08574	21.0
121.06496	3.2
121.10162	24.4
123.08055	8.7
123.11710	7.9
125.09612	6.0
127.03947	6.2
129.07005	3.1
131.08571	14.2
133.10115	12.3
135.11694	20.6
137.13266	3.8
145.04930	4.1
145.10120	18.3
147.11736	7.6
149.13252	7.3
153.12746	3.4
155.08641	2.8
159.11661	7.4
161.13271	4.4
163.05978	6.9
163.11179	25.8
173.09680	3.0
173.13300	6.3
181.12257	3.2
187.14850	4.0
189.11215	3.5
209.11719	6.5
227.12787	9.3
227.20030	4.5
243.21146	6.7
260.15121	2.0
261.22101	26.1
267.15839	2.7
283.15396	95.6
285.17065	2.2
299.23773	6.7
300.03940	2.2
307.29114	2.2
317.24722	8.4
335.25809	100.0
337.27274	2.7
451.32187	4.3
469.33524	3.9
525.35370	6.6
543.36835	94.8
544.37000	4.0
561.37842	5.2
664.32446	3.0
782.49939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.6
67.05503	30.4
69.03395	1.3
69.07065	8.4
69.32296	2.9
69.32705	0.7
71.04993	1.8
73.02897	1.6
77.03896	0.3
79.05489	26.2
81.03388	1.5
81.07052	31.7
83.04985	2.8
83.08618	6.5
84.59477	0.4
85.02900	2.5
85.06508	0.8
91.03928	1.2
91.05473	10.8
93.07038	36.1
94.07334	0.4
95.04964	5.1
95.08601	35.9
96.08888	0.5
97.02888	3.0
97.06538	3.0
97.10147	1.4
98.20776	0.7
99.04467	2.5
99.08075	0.8
103.05411	0.6
105.04460	0.6
105.06392	0.5
105.07027	8.7
107.04951	4.8
107.08588	23.6
108.08858	0.4
109.06531	1.7
109.09459	0.6
109.10149	9.4
111.04403	0.9
111.08031	1.4
113.05992	0.6
113.09689	0.4
117.07005	6.6
119.08574	9.8
120.08956	0.3
121.06512	3.4
121.10136	14.6
123.08063	0.7
123.11684	2.4
125.05987	1.7
130.07739	0.9
131.08560	3.6
131.26187	0.3
133.10156	3.8
135.08037	1.4
135.11685	35.3
136.11996	0.5
137.09517	0.4
137.13228	0.6
139.07527	0.8
139.11174	0.5
143.08524	0.6
145.04936	0.5
145.06514	0.4
145.10114	19.4
147.11696	2.0
149.13239	2.7
153.12721	0.8
159.11690	1.9
161.13240	1.5
163.05959	0.8
163.11176	39.4
163.14774	1.4
164.11473	0.5
173.09644	0.5
173.13196	1.6
175.14780	0.9
181.12239	6.0
187.14806	1.1
194.08128	0.4
209.11771	0.7
227.12772	47.8
228.13065	0.4
243.21034	2.7
261.22125	7.5
279.23026	0.5
283.15384	52.2
284.15637	0.7
299.23767	0.5
317.24768	2.0
335.25778	100.0
336.26065	2.7
543.36792	94.1
544.37115	3.7
561.37573	0.5
589.22845	0.3
653.56714	0.5
699.48126	0.4
875.30426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.7
67.05502	28.2
69.03397	1.2
69.07066	8.8
70.18391	1.7
70.90275	0.4
71.04977	1.9
73.02892	1.7
79.05487	29.7
80.05804	0.4
80.21217	0.3
81.03384	1.5
81.07053	33.9
83.04959	2.2
83.08140	0.5
83.08611	7.3
84.71711	0.4
85.02899	2.9
85.06518	0.8
91.03920	1.8
91.04897	0.6
91.05470	11.4
91.08305	0.5
93.03333	0.4
93.07039	41.2
95.04448	0.5
95.04971	6.8
95.08601	42.5
97.02887	3.9
97.06536	3.3
97.10128	1.2
98.20750	0.5
99.04434	3.1
99.08064	0.7
102.19378	0.4
103.05420	1.1
105.07020	8.9
107.04964	6.0
107.08590	28.0
109.06515	2.0
109.09457	0.7
109.10143	8.6
111.04389	1.3
111.08069	1.5
113.05966	0.8
113.09574	0.5
117.06225	0.6
117.07006	7.9
119.08574	11.6
121.06496	4.1
121.10133	14.8
123.08067	0.6
123.11761	1.9
125.05974	2.2
127.07459	0.5
130.07750	1.6
131.08571	3.9
133.10121	5.9
135.08063	1.6
135.11684	45.0
136.11964	0.6
137.09557	0.6
137.13280	0.6
139.07512	1.9
139.11137	0.5
143.08540	0.7
145.06447	0.6
145.10115	24.4
147.11684	2.4
149.13284	2.8
153.12741	0.8
159.11662	1.7
161.13237	1.4
163.11171	49.1
163.14867	1.3
164.11609	0.6
173.09503	0.7
173.13232	1.6
181.12238	8.9
187.14738	0.6
206.70576	0.5
209.11769	1.5
227.12767	68.5
228.13173	0.7
240.91310	0.4
243.21063	2.3
261.22110	8.2
283.15384	100.0
284.15656	0.8
317.24820	2.8
335.25784	77.8
336.25989	1.3
345.50107	0.5
543.36792	89.4
544.37183	2.7
561.37891	1.2
644.12268	0.5
732.83490	0.4
894.97913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	1.2
67.05511	10.0
68.99772	1.7
69.03428	9.7
69.07063	9.4
70.06580	2.3
71.04980	2.4
71.60011	1.5
71.60382	1.1
73.02921	2.7
76.33900	1.1
79.05486	6.0
81.03417	14.1
81.07059	23.8
83.08615	8.4
84.08124	1.0
85.02902	28.6
87.00822	14.2
91.05481	5.1
93.07042	18.6
95.08604	50.3
97.02887	19.1
97.10170	5.3
99.04445	5.8
105.01857	12.6
105.07024	12.0
107.08593	30.6
108.04453	1.8
109.02865	20.8
109.10153	34.3
111.11716	2.4
117.01868	2.1
119.07948	0.7
119.08576	26.8
121.10142	34.2
123.11700	16.0
127.03916	24.3
129.01743	1.7
131.08574	4.7
133.09129	1.5
133.10126	24.6
135.11682	24.2
137.13248	9.6
145.04932	10.9
145.10130	7.6
147.04364	1.1
147.11690	19.2
149.13251	23.7
153.09109	4.0
159.02869	6.7
159.11656	6.1
161.13242	12.0
163.14847	11.8
165.12764	1.1
173.13275	6.6
175.14824	12.4
177.16376	7.4
179.10681	3.0
187.14732	6.9
189.16379	35.7
191.17946	89.1
199.14815	1.3
201.16364	27.2
203.17953	61.3
205.19511	23.4
213.04034	3.0
213.16394	3.5
215.17946	13.9
217.19513	11.7
219.17432	2.4
221.15414	1.3
221.19022	2.8
227.18044	2.8
229.19496	4.5
230.99680	1.2
231.04987	5.7
231.21089	4.0
232.30968	1.2
233.15256	1.2
235.16907	6.0
241.19499	2.6
243.21127	4.6
245.22678	3.3
247.16953	15.6
248.07646	2.0
249.18515	11.9
255.21202	1.6
257.22769	1.8
261.18591	6.7
266.08682	2.2
269.22623	2.2
283.24139	1.3
289.21542	2.1
343.26324	1.6
391.33218	1.3
393.35114	17.3
411.36273	3.7
421.34610	2.4
423.53900	1.2
439.35718	100.0
440.36124	2.1
587.39209	2.6
604.09955	1.2
687.41205	1.4
791.90668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	1.2
67.05511	10.0
68.99772	1.7
69.03428	9.7
69.07063	9.4
70.06580	2.3
71.04980	2.4
71.60011	1.5
71.60382	1.1
73.02921	2.7
76.33900	1.1
79.05486	6.0
81.03417	14.1
81.07059	23.8
83.08615	8.4
84.08124	1.0
85.02902	28.6
87.00822	14.2
91.05481	5.1
93.07042	18.6
95.08604	50.3
97.02887	19.1
97.10170	5.3
99.04445	5.8
105.01857	12.6
105.07024	12.0
107.08593	30.6
108.04453	1.8
109.02865	20.8
109.10153	34.3
111.11716	2.4
117.01868	2.1
119.07948	0.7
119.08576	26.8
121.10142	34.2
123.11700	16.0
127.03916	24.3
129.01743	1.7
131.08574	4.7
133.09129	1.5
133.10126	24.6
135.11682	24.2
137.13248	9.6
145.04932	10.9
145.10130	7.6
147.04364	1.1
147.11690	19.2
149.13251	23.7
153.09109	4.0
159.02869	6.7
159.11656	6.1
161.13242	12.0
163.14847	11.8
165.12764	1.1
173.13275	6.6
175.14824	12.4
177.16376	7.4
179.10681	3.0
187.14732	6.9
189.16379	35.7
191.17946	89.1
199.14815	1.3
201.16364	27.2
203.17953	61.3
205.19511	23.4
213.04034	3.0
213.16394	3.5
215.17946	13.9
217.19513	11.7
219.17432	2.4
221.15414	1.3
221.19022	2.8
227.18044	2.8
229.19496	4.5
230.99680	1.2
231.04987	5.7
231.21089	4.0
232.30968	1.2
233.15256	1.2
235.16907	6.0
241.19499	2.6
243.21127	4.6
245.22678	3.3
247.16953	15.6
248.07646	2.0
249.18515	11.9
255.21202	1.6
257.22769	1.8
261.18591	6.7
266.08682	2.2
269.22623	2.2
283.24139	1.3
289.21542	2.1
343.26324	1.6
391.33218	1.3
393.35114	17.3
411.36273	3.7
421.34610	2.4
423.53900	1.2
439.35718	100.0
440.36124	2.1
587.39209	2.6
604.09955	1.2
687.41205	1.4
791.90668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.9
67.05503	22.8
68.05814	0.3
69.03429	0.3
69.07067	13.3
71.04972	0.6
71.05319	0.4
71.08624	0.8
73.06561	0.3
75.04471	0.2
79.05491	6.5
81.03428	0.2
81.07055	24.7
83.04994	1.0
83.08620	7.6
85.06545	0.6
85.10206	0.3
91.05479	4.2
93.07042	7.1
95.04969	0.7
95.08604	20.3
97.06538	1.7
97.10173	3.4
99.08095	0.8
105.07026	3.3
107.08593	3.7
107.09289	0.3
109.06519	0.3
109.10152	7.2
111.08109	0.7
111.11725	0.6
113.00014	32.7
113.09621	0.2
113.37666	0.2
119.08582	3.2
121.10138	2.5
123.08065	0.3
123.11704	3.1
125.09656	0.5
131.01039	0.5
133.10135	2.6
135.11653	2.0
137.09633	0.4
137.13283	1.3
139.11145	0.4
147.11679	1.8
149.13263	1.0
151.11182	0.2
151.14864	0.7
154.02596	0.2
158.03667	0.2
161.13235	1.3
163.14844	0.8
165.12770	0.3
165.16531	0.2
169.02606	28.3
170.02953	0.3
175.14828	1.3
187.03650	2.6
189.16374	0.4
193.15909	0.2
203.18013	0.3
245.22655	2.3
263.23718	4.2
263.26505	0.2
289.82901	0.2
319.26312	0.4
337.27350	100.0
338.27753	3.0
373.16412	0.2
431.25650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.1
69.79981	0.3
69.80396	0.5
70.06582	0.5
70.09708	0.1
71.04987	0.3
77.03918	0.3
79.05491	1.3
81.03417	4.5
84.08161	0.1
85.02897	1.3
86.09692	0.2
91.05486	0.3
95.04964	1.9
95.08549	0.2
97.02888	2.2
98.20747	0.2
99.04441	1.1
102.11882	0.1
105.04538	0.3
105.07079	0.1
107.04951	100.0
108.04584	0.3
108.05286	0.9
109.02872	2.9
109.08537	0.1
115.05414	0.2
117.07056	0.2
119.04935	0.8
127.03914	10.0
129.10269	0.2
131.04930	0.2
135.04468	0.3
137.06015	0.3
140.05449	0.1
141.06973	0.2
144.05721	0.2
145.04932	0.9
145.06516	0.1
147.04417	0.3
151.03891	1.0
153.05479	0.6
159.08093	0.1
161.05988	0.2
165.05499	0.1
169.06470	0.3
173.06006	0.5
179.03415	0.8
180.15453	0.1
187.07545	0.5
187.15479	0.1
191.06998	0.2
195.06496	0.4
197.05984	0.7
207.06458	0.1
213.09091	1.3
215.07010	3.6
233.08043	1.2
237.02689	0.1
237.07642	0.2
239.07172	0.1
241.08591	0.1
243.06523	2.2
257.08249	0.2
261.07578	3.0
269.08105	0.4
279.08603	3.3
287.09116	0.3
288.43341	0.1
297.09821	0.2
321.11285	0.7
364.12527	0.1
367.11850	1.0
377.10168	0.5
395.11575	0.9
413.12299	7.7
431.13541	0.9
462.89011	0.1
464.10098	0.1
483.14371	0.1
501.15381	1.1
565.17084	2.6
613.08289	0.1
647.16644	0.2
836.42828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40355	0.2
63.63062	0.2
66.98500	0.2
67.01859	0.5
69.03436	2.7
70.06578	0.5
70.74188	0.6
70.81795	0.2
71.04977	0.9
72.08171	0.2
72.70706	0.2
79.05489	1.1
81.02977	0.4
81.03417	4.8
82.16895	0.2
84.08173	0.2
85.02900	0.8
86.09692	0.3
91.05509	0.3
94.58661	0.2
95.04983	1.3
97.02891	15.2
97.29572	0.2
99.04455	1.5
107.04953	100.0
108.04492	0.5
108.05285	0.6
109.02878	5.7
127.03915	17.8
140.64984	0.3
140.78177	0.2
145.04968	1.1
153.05444	2.3
173.05978	0.5
179.03435	0.5
187.07487	0.4
188.15778	0.2
195.06575	0.7
197.06050	0.5
215.07033	2.3
219.06555	0.5
233.08090	0.7
237.07532	0.2
243.06525	1.0
261.07559	2.0
279.08630	19.4
297.09784	0.5
338.98044	0.2
367.11896	0.4
387.10803	0.6
413.12451	2.1
431.13309	3.9
486.88358	0.2
513.25531	0.2
521.14380	0.6
539.15198	0.3
622.96490	0.3
630.38538	0.2
656.08649	0.3
722.79773	0.3
905.51141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38015	1.3
67.99131	1.3
69.56170	1.5
70.06583	1.5
71.11897	2.5
71.30419	1.4
74.97599	2.5
77.90796	1.3
81.07030	2.3
84.96052	7.4
86.09704	1.6
98.97578	18.1
110.97586	3.9
116.98630	21.9
128.98616	11.3
131.00201	4.1
134.99666	12.1
140.00198	1.5
143.00201	5.2
144.98091	5.5
146.99658	16.6
149.01257	4.2
152.98596	2.6
158.01241	1.7
158.99637	8.1
161.01259	8.5
162.99142	11.1
165.00755	2.9
170.99693	10.5
173.01205	2.8
174.99176	2.2
177.00729	14.6
179.02284	3.8
181.00215	4.0
185.01231	2.7
186.00870	1.7
186.99174	4.5
189.00706	11.3
193.00151	1.8
194.99706	2.8
195.01772	2.0
198.99234	1.8
201.00713	7.3
203.02264	2.9
205.00266	4.2
207.01732	2.1
213.00726	5.6
217.00191	2.0
219.01749	31.8
225.00653	1.5
229.00319	2.3
231.01662	2.0
232.99687	3.1
237.02821	86.0
243.01746	1.8
255.03841	8.3
260.04495	5.5
261.02811	18.2
273.02957	1.5
279.03876	46.3
279.06851	3.0
289.02310	10.8
301.02289	4.4
302.05539	4.7
305.01556	1.6
307.03326	5.9
319.03461	1.9
321.87253	1.5
330.04950	3.4
335.02859	29.9
359.02808	2.3
377.04089	6.9
395.04941	7.8
426.31161	1.4
503.33929	5.9
515.33820	4.7
531.33984	2.6
533.35162	11.3
554.78265	1.5
561.34247	2.1
569.35223	1.7
575.36322	3.5
585.34662	4.1
587.36206	5.0
603.35187	4.5
835.41443	62.3
836.41034	2.7
853.42572	100.0
854.42664	2.9
876.44434	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	893.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64382	0.4
67.05501	1.2
69.03419	3.1
69.06723	0.6
69.07070	8.0
71.04991	1.8
71.61597	0.6
79.05485	1.0
81.03413	26.3
81.07043	1.0
83.01315	0.4
83.04977	0.9
83.08597	2.9
85.02894	6.1
93.07048	2.9
95.04899	0.5
95.08597	0.9
97.02889	24.4
97.06537	2.4
99.04464	4.8
103.03931	1.5
107.08592	2.3
109.02876	100.0
109.10155	1.1
109.94597	0.6
110.03225	0.6
111.72434	0.5
117.88527	0.5
122.74993	0.5
127.03912	52.3
135.11687	4.1
139.03925	4.6
145.04944	1.9
153.11499	0.9
153.12744	17.9
169.04962	24.6
171.13817	3.0
187.06015	8.0
188.35243	0.5
211.05962	1.0
213.14914	0.7
229.07065	9.5
247.08112	5.3
271.08130	1.2
279.15845	0.7
289.09222	1.7
297.17044	0.8
331.10071	0.7
339.18170	1.2
441.21164	0.7
459.22232	0.7
515.55212	0.6
580.75043	0.6
893.47443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
67.05513	0.7
69.03427	3.9
70.06612	0.9
71.05006	0.9
71.21491	1.1
76.59377	0.6
79.05487	1.4
80.05000	0.7
81.03413	4.3
82.06606	0.7
85.02901	3.4
87.00842	1.6
89.03924	0.8
91.05454	1.0
92.05042	0.6
92.75034	0.6
93.05801	0.7
93.07061	2.0
94.06580	4.9
95.04996	0.7
95.07376	1.5
96.08121	3.6
97.02884	4.9
99.04459	1.6
103.05472	0.6
105.01866	1.6
106.06538	1.0
107.07316	1.3
108.04492	1.8
108.08121	8.0
109.02876	4.9
110.06106	0.7
110.09671	4.3
116.04987	2.6
118.06542	1.0
120.04486	3.0
120.08117	6.5
122.06030	6.1
122.09680	2.5
124.07604	4.4
127.03906	5.2
130.06496	0.6
132.04420	0.8
134.05972	1.6
136.07573	10.7
136.08543	1.0
138.09129	7.9
144.04427	4.3
145.04951	1.5
146.06007	6.6
148.07574	4.5
150.05441	0.6
150.09149	4.2
152.07082	2.2
159.02882	0.8
160.03984	3.0
162.05510	4.0
164.07047	1.7
166.08626	21.7
167.08748	0.8
172.03922	24.3
172.07544	0.6
174.05544	2.4
176.07129	2.7
182.09737	1.0
183.09042	0.9
184.09996	0.6
190.04980	17.6
192.06454	0.7
196.10019	0.8
197.10785	1.9
199.12358	1.6
204.06555	39.3
205.06926	1.6
209.10754	1.0
210.09273	1.6
211.08649	4.1
212.09521	1.9
213.04045	0.8
213.10262	1.4
221.10785	1.0
222.07785	1.8
223.12384	1.4
224.09538	2.5
225.10193	8.3
226.10822	1.5
227.11769	12.1
235.08696	0.9
236.09320	1.4
237.10278	3.7
238.10960	2.2
239.07942	0.7
239.11726	4.5
241.09683	1.3
241.13319	1.7
245.12761	0.8
249.10260	2.4
250.10843	1.1
251.08171	1.1
251.11818	3.5
252.09007	1.3
253.09721	5.7
253.13503	1.4
255.11359	2.5
264.08978	3.1
265.09793	2.9
266.10437	0.9
267.11258	3.2
269.12860	10.6
271.10748	8.4
273.12396	2.8
277.09756	1.7
279.11246	6.2
281.09354	0.6
281.12891	1.7
283.10852	5.1
284.11578	3.7
285.12311	5.3
286.13226	1.3
287.13916	9.0
291.11426	0.9
293.09280	0.9
293.12823	0.8
295.10840	2.2
297.12289	7.7
299.13968	5.4
305.09381	0.8
307.10883	2.8
309.12381	1.2
311.14471	1.3
312.15182	1.5
313.11972	0.9
314.12970	2.9
315.13657	1.2
316.14517	1.9
321.12387	1.4
323.10242	5.8
324.11282	1.1
325.11856	10.2
325.15564	1.0
326.16461	1.7
327.13840	2.3
327.17480	1.3
328.10693	2.5
328.14523	3.8
329.15234	1.7
330.16086	1.2
331.16843	1.7
337.11847	0.8
338.12918	0.9
339.13525	2.2
340.14468	1.4
341.11743	2.0
342.12332	6.9
342.16058	1.4
343.12979	5.8
343.16629	0.9
344.13943	0.8
352.14291	0.9
354.16019	1.8
355.13525	2.2
356.13876	6.8
357.14468	18.6
358.15460	4.6
365.11407	1.8
367.13254	1.8
368.14014	1.0
369.15332	1.4
370.11838	1.4
370.15582	4.6
371.16190	2.3
372.17389	1.2
375.15820	1.0
378.18045	0.9
380.13824	1.8
382.11691	5.6
383.12616	2.0
384.13300	4.6
384.17566	1.1
385.14328	2.7
386.14859	2.1
386.19116	3.9
387.15643	0.8
388.16754	1.0
390.18127	2.6
394.15555	1.4
396.17691	0.8
397.14545	1.3
398.15021	20.6
399.15778	26.1
400.16617	2.1
404.16043	5.2
412.16702	3.5
414.18503	3.5
416.16003	15.3
417.16733	0.9
422.17444	3.4
428.16068	5.4
430.17560	3.1
434.17218	0.7
440.16113	9.0
446.17142	8.4
458.17075	34.7
460.18790	1.1
472.18912	0.9
478.19876	2.1
490.19736	11.6
555.16443	2.1
565.24481	1.4
567.26007	1.7
569.23901	3.1
573.17072	15.7
583.25458	2.1
588.60352	0.7
591.18274	2.9
593.24042	6.4
595.25311	1.4
605.19708	2.2
610.23999	1.8
611.24976	100.0
612.25232	3.0
643.27631	9.8
771.32062	0.9
773.30273	4.1
815.31122	5.8
817.28888	1.8
841.28583	0.8
859.30273	31.0
891.32703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.7
65.81464	0.5
67.05181	1.1
67.05507	17.7
69.07072	8.7
69.07417	1.1
71.08636	0.7
71.59680	0.5
71.60105	0.8
79.05491	5.9
79.64160	0.5
81.07059	20.8
83.08631	5.2
85.06502	0.5
91.05477	3.8
91.23821	0.5
93.07046	4.9
95.04969	0.6
95.08607	15.7
97.06491	1.0
97.10184	2.8
105.07069	2.7
107.08607	3.8
109.10153	5.3
111.08043	0.6
113.00018	94.2
113.37518	0.5
119.08592	2.0
121.10133	3.2
123.11702	2.6
131.01044	1.4
133.10121	1.7
135.11719	1.5
137.13263	0.6
147.11717	1.1
149.13237	1.0
151.14813	0.9
154.02615	0.9
155.01094	0.7
157.30936	0.5
161.13368	0.9
163.14851	0.9
169.02612	100.0
175.14856	1.3
187.03648	1.0
245.22672	4.4
263.23712	8.4
337.27365	46.7
338.27673	0.6
338.51501	0.6
540.17188	0.6
796.69788	0.6
879.52917	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	871.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95858	2.7
61.02928	1.2
69.03429	3.0
69.07031	0.3
69.47926	2.1
70.06554	0.8
71.04961	0.6
73.02901	0.4
77.79698	0.3
81.03413	1.2
81.07033	0.4
83.01313	0.2
84.96003	0.2
85.02906	8.8
86.03202	0.7
87.04430	0.7
91.03947	0.5
91.05470	0.5
93.07057	0.3
95.08594	0.5
97.02900	3.1
98.03162	0.4
98.97531	0.2
99.04436	0.5
102.96816	0.3
105.06994	0.8
109.02840	1.0
116.98561	0.4
117.07001	0.3
117.08523	0.2
119.08565	0.5
127.03895	2.7
128.04224	0.5
129.07002	0.5
131.08560	0.5
134.99638	0.2
143.08519	0.6
145.04945	2.1
145.10094	0.6
146.05296	0.4
147.11609	0.4
148.12021	0.3
148.30930	0.3
171.11639	1.3
172.12000	0.4
173.13298	0.6
177.00621	0.4
181.09987	0.2
182.03340	0.3
185.02794	0.3
185.04222	1.7
189.00612	0.2
191.02220	0.4
199.11140	0.5
201.12746	0.8
217.12354	1.1
219.01738	0.4
219.13797	0.9
220.14064	0.3
231.06828	0.3
231.29587	0.3
237.02736	0.4
241.02032	0.5
241.12009	2.0
241.57701	0.3
245.08507	0.3
245.11798	0.3
247.09877	0.3
249.07845	0.5
251.09320	0.6
262.10315	0.3
275.09497	0.7
277.07333	0.5
279.08823	1.0
282.09952	0.4
282.60526	0.3
283.07849	0.6
284.09756	0.4
284.60083	0.5
285.10968	44.9
286.11313	0.9
293.10422	1.4
293.60306	0.4
294.10876	0.5
295.08401	0.3
297.09921	1.6
303.11874	0.3
311.11557	0.7
312.11972	0.5
313.09363	0.9
313.59802	0.4
315.11026	1.5
319.08411	0.4
323.07816	0.8
326.13586	0.4
337.09570	0.8
338.09827	0.4
341.08829	1.2
342.09277	0.5
344.08368	0.3
363.12866	0.5
363.62897	1.1
364.13089	1.4
364.63242	1.0
365.12549	4.8
365.62613	4.3
366.12946	1.2
446.15506	0.3
447.16263	100.0
448.16559	2.9
467.12286	0.5
488.18991	0.4
560.22266	0.3
563.19513	0.3
565.20282	0.4
567.18951	1.0
568.18695	0.5
625.18024	0.3
726.24457	0.2
729.24365	0.5
736.96985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67644	1.0
61.01145	1.1
69.03438	1.0
69.78606	6.3
70.06591	1.2
73.01131	0.9
73.79104	0.9
76.02212	5.8
76.04003	3.8
80.79128	1.0
81.07084	1.2
83.08619	38.2
84.04500	18.9
84.53761	1.0
85.02937	1.2
86.99057	11.9
88.02215	2.8
101.09644	1.6
105.00083	1.3
105.06984	1.0
107.04958	2.5
107.24867	0.9
115.05824	1.8
116.01673	50.4
129.06581	3.1
129.07407	1.6
130.05005	4.0
137.05992	1.3
141.07390	1.3
142.03223	4.0
144.01144	26.8
145.06126	1.4
151.03906	1.9
159.08388	40.1
161.05936	2.4
162.02200	100.0
163.07590	1.5
167.07022	1.6
170.02725	2.1
176.11024	6.3
193.08719	1.8
195.10181	1.9
205.08922	1.2
211.09712	1.7
218.27019	1.2
237.02824	1.4
244.10049	1.2
262.11090	41.5
279.13733	63.6
332.67300	1.0
333.14951	9.3
345.14349	1.2
408.17978	66.8
409.18033	1.5
413.65439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2371
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
69.96229	1.2
69.96642	2.0
126.61323	0.5
130.16794	0.5
131.01175	0.5
146.99677	0.9
174.53091	0.5
177.00755	0.7
189.00803	1.3
195.01613	0.6
219.01938	0.9
226.15199	0.5
242.38766	0.5
285.45969	0.5
291.03854	0.6
331.48376	0.5
363.06842	1.7
381.08002	1.7
453.09314	0.5
525.11816	5.0
543.13177	6.3
687.17371	10.8
705.18304	9.9
867.23730	100.0
868.23969	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	859.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17411	0.3
61.02891	0.4
62.91172	0.3
67.05498	2.8
69.03400	0.4
69.07034	1.2
69.37399	0.3
71.61098	0.5
71.95227	0.9
72.96017	0.7
73.02909	0.4
74.73103	0.3
79.05064	0.3
79.05481	2.2
81.03378	0.5
81.07049	2.9
83.08594	0.6
84.96014	0.6
85.02897	0.5
91.05453	1.1
92.98650	0.4
93.07054	1.5
95.08582	1.7
97.02876	0.3
97.06513	0.4
97.10137	0.6
105.06980	0.9
107.08562	0.9
109.02818	0.3
109.10119	0.9
110.97521	0.4
117.07000	0.3
119.08530	0.9
121.10119	0.6
125.09534	0.3
131.08553	0.7
133.10080	1.0
135.11612	0.4
141.02151	0.4
146.99652	0.4
147.11653	0.4
155.03807	0.4
157.65489	0.4
161.13239	0.6
184.07124	0.3
197.08434	0.4
223.09865	2.8
225.11418	0.4
226.59598	0.3
227.20073	0.5
235.09973	3.0
241.11110	28.1
242.11374	0.4
253.11110	44.7
254.11557	0.4
259.12170	45.6
260.12405	0.6
264.12650	3.1
270.13733	0.4
271.12161	84.4
272.12546	1.4
276.12726	2.9
277.12891	0.4
282.13730	4.0
282.98050	0.5
285.09961	0.7
289.13223	6.1
294.13757	13.4
295.14020	0.3
300.98837	0.6
312.14685	0.6
335.16159	0.5
335.25702	1.2
336.26285	0.5
337.27197	1.1
395.61353	0.3
400.21408	0.3
427.80045	0.3
449.25739	100.0
450.26041	3.1
455.83902	0.3
467.27032	0.5
490.28467	1.3
517.39063	0.9
551.28271	0.6
859.48541	7.0
860.48914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.3
69.03411	0.4
69.07049	0.5
70.06578	0.5
71.04956	0.6
71.15211	0.3
71.15568	0.2
85.02858	1.0
91.05421	0.3
94.06520	0.3
95.04942	0.4
97.02905	0.4
102.77142	0.2
107.04945	0.4
108.04466	2.8
108.08090	0.4
109.02829	0.3
116.78116	0.3
120.06582	0.3
122.06000	0.7
136.07550	1.1
138.05472	0.9
140.07043	1.2
146.06035	1.3
148.07513	0.8
150.05518	0.5
157.93478	0.2
163.03885	0.5
164.07054	0.4
166.04970	0.7
168.06551	3.9
174.05460	1.0
185.72322	0.2
194.95157	0.3
196.11250	0.7
197.10822	0.3
198.09277	0.3
199.08641	1.0
201.10152	0.3
204.06543	1.0
206.08110	2.0
211.08664	4.7
211.12216	0.9
212.09439	1.0
213.10229	1.6
221.10751	0.7
222.09097	0.7
222.11153	0.3
223.08624	0.9
224.11043	1.3
225.10233	4.5
226.10922	0.9
227.08109	1.4
227.11755	0.5
229.37225	0.3
237.10060	0.4
239.08031	0.8
239.11774	8.1
240.08936	0.8
240.12480	0.6
241.09698	1.9
241.13358	1.2
242.10371	0.5
249.10211	0.7
250.08661	1.1
251.08121	1.1
251.11809	0.6
252.08900	1.2
252.10326	0.8
253.09715	4.9
254.10312	0.8
255.11314	0.8
256.12091	0.6
257.12830	0.9
259.10895	0.5
259.14365	0.4
267.08176	0.4
267.11279	11.3
268.09314	0.4
268.11975	0.9
269.12827	1.9
278.08063	0.5
280.08502	0.3
281.09103	0.7
284.11600	0.7
285.09219	0.4
285.12347	1.7
287.13846	0.7
295.10757	6.3
296.09003	0.5
297.12363	1.3
298.10745	0.3
299.10452	0.3
301.11792	0.4
303.13257	0.6
305.15002	1.6
310.15875	0.3
313.11813	35.1
314.12256	1.1
315.13379	0.6
323.10287	1.5
341.11319	12.3
342.12088	1.5
355.12769	2.0
359.12369	5.0
373.13947	100.0
374.14252	3.4
375.15619	0.6
434.97403	0.3
503.16403	0.4
508.98056	0.3
517.18304	0.8
535.19666	1.6
607.31409	0.3
627.24628	0.7
645.25616	2.3
659.27325	1.5
677.28558	1.4
695.28546	0.5
739.00134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	3.3
62.24817	1.4
65.03921	2.1
67.05505	100.0
69.03413	4.1
69.06779	1.3
69.07066	17.0
69.30430	5.5
69.30856	9.7
71.01356	1.8
71.04977	5.0
73.02904	1.7
74.46738	1.6
79.05057	2.8
79.05492	45.1
81.03419	9.8
81.07057	58.9
83.04983	8.2
83.08614	13.7
85.02895	13.5
85.06551	1.8
87.04438	3.3
91.03919	2.2
91.05485	26.2
93.07039	40.8
93.07621	2.5
95.04954	9.1
95.08605	38.4
97.02884	4.6
97.06504	4.0
97.10167	16.0
98.21461	2.3
99.08067	1.7
105.04519	2.0
105.07021	13.6
107.04931	3.0
107.08597	28.2
109.06532	1.9
109.10153	64.0
111.08082	2.9
117.07006	5.9
119.08575	16.9
121.10137	17.3
123.08067	1.6
123.11700	3.9
125.09649	14.4
129.05467	2.9
131.08566	11.4
133.10132	8.6
135.11673	12.9
137.09593	2.4
143.10622	1.8
145.10123	9.0
147.11630	5.8
148.48827	1.6
149.13220	6.4
153.12759	1.8
155.10689	3.0
159.11705	4.4
161.13222	4.7
163.11230	7.8
163.14772	4.0
173.11710	14.3
173.13251	4.4
175.14859	2.2
181.12201	1.7
187.14864	3.2
191.10692	1.6
192.76233	1.3
199.13266	5.0
209.11688	3.6
209.33780	1.4
227.12698	6.0
229.14349	37.0
243.21065	3.9
261.22177	11.7
267.15881	3.1
301.16504	9.9
304.40408	1.5
317.24802	1.8
327.23340	1.5
335.25787	53.9
342.61655	1.6
342.66525	1.6
399.23697	12.0
417.50540	1.5
477.35757	4.8
489.35779	12.0
500.09857	1.6
561.37524	4.7
578.41949	1.5
579.38782	2.3
659.45325	13.1
832.66461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	4.7
61.76262	3.7
65.03977	4.1
67.05502	99.9
67.08720	4.4
69.07068	15.3
69.28083	3.6
69.49762	17.0
69.50196	14.0
70.45282	3.8
79.05492	44.6
81.03419	6.8
81.07055	77.0
83.04990	10.7
83.08614	11.8
83.10191	3.9
85.02914	12.4
91.04961	3.5
91.05453	22.3
93.07049	46.1
95.04959	10.2
95.08605	47.6
97.02887	5.9
97.10180	14.8
98.20758	9.2
105.07029	18.4
107.08594	28.6
109.10161	69.4
109.10836	7.3
111.08047	5.8
117.07035	6.2
119.08582	22.1
121.10138	23.0
123.11721	7.8
125.09624	13.6
131.08554	12.2
133.10184	8.7
135.11688	15.6
137.09657	4.9
145.10121	9.4
147.11600	5.5
149.13225	6.7
159.11641	6.1
161.13243	9.0
163.11208	6.0
173.11739	16.5
173.13150	7.1
193.12091	4.7
199.13112	4.4
227.12758	5.5
229.14331	52.2
243.21007	5.3
261.22128	17.1
301.16495	9.4
335.25784	100.0
392.93683	4.6
399.23691	14.4
477.35715	7.9
482.85260	4.2
486.67181	4.4
489.35938	25.5
561.37799	6.4
659.44885	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	856.453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	47.8
65.03947	1.5
67.05505	63.1
69.03427	5.5
69.07074	9.5
70.06589	2.3
70.15366	4.8
71.04985	3.8
73.02911	19.8
79.05053	2.5
79.05493	35.0
79.05953	1.7
81.03423	3.1
81.07059	74.9
83.08611	9.1
83.20680	1.4
85.02906	57.6
85.06539	2.7
86.09699	2.5
91.03956	52.2
91.05482	18.9
93.07047	50.3
95.04967	4.1
95.08609	62.4
97.02890	30.4
97.06522	3.7
97.10181	3.2
97.93509	1.5
98.20849	1.9
99.04447	3.1
99.08088	1.9
103.03937	3.1
105.07018	13.6
107.08601	33.9
107.09296	2.8
109.02883	1.7
109.06544	1.5
109.10158	30.9
111.08076	1.5
113.09619	2.2
115.03930	2.8
117.07021	9.0
119.08591	14.7
121.10144	34.3
123.11705	15.1
125.09602	1.9
127.03930	26.9
131.08580	16.6
133.10143	13.1
135.08078	1.2
135.11705	24.8
137.09619	2.3
137.13240	8.9
139.11203	1.7
145.04958	31.1
145.10118	13.2
145.79431	1.4
147.11684	10.6
149.13260	18.7
151.11183	1.6
151.14842	2.0
159.11687	13.6
161.13266	10.2
163.04692	2.8
163.06027	54.5
163.14833	13.7
165.12762	2.5
173.11864	2.2
173.13266	12.7
175.14816	4.6
177.12773	2.8
177.16403	5.1
179.14352	2.7
185.13229	1.9
187.14809	7.8
191.14267	2.8
201.16435	4.1
204.08688	1.6
212.63582	1.4
212.90228	1.5
233.22699	3.4
243.21074	34.0
261.22153	100.0
262.22632	1.8
263.23642	1.8
279.23047	6.3
317.24435	1.6
325.11386	2.5
335.25818	33.0
353.26859	72.8
354.27170	1.7
387.25031	2.1
413.45767	1.7
497.31165	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	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	8.0
61.44299	0.6
66.25695	0.6
67.05499	6.1
69.03432	4.1
73.02925	4.5
79.05493	2.2
79.64358	0.5
81.03436	1.9
81.07065	3.6
83.05013	0.8
85.02913	7.8
91.03960	3.9
91.05485	1.8
93.07059	2.0
95.08626	2.0
97.02887	5.5
98.21493	1.8
99.04462	1.4
101.02380	2.1
103.03978	0.6
105.07047	1.0
105.47115	0.6
107.08607	1.8
109.02917	1.3
109.10172	3.0
115.03951	0.8
117.07017	0.7
119.08566	0.7
121.02711	0.6
121.10165	1.1
127.03938	1.9
172.56668	0.7
173.11798	0.9
185.04274	0.8
203.05270	0.7
243.08467	2.8
347.09692	1.8
365.10480	0.8
405.13675	6.8
413.17899	6.1
519.29395	6.3
541.27881	0.7
575.23175	4.5
681.34314	8.2
691.40222	1.9
853.45563	100.0
854.46027	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.4
67.05504	8.1
69.03431	4.3
71.05014	1.0
71.61595	1.2
73.02918	5.0
75.39156	0.6
79.05519	3.0
81.03423	1.5
81.07054	3.6
83.08617	0.8
85.02898	6.4
91.03934	3.3
91.05512	2.0
93.07071	2.6
95.08613	2.5
97.02882	5.9
99.04447	1.3
101.02401	2.5
105.07075	1.6
106.02002	0.7
107.08630	0.9
109.02911	0.9
109.10146	6.3
115.03979	0.7
119.08561	1.3
119.46288	0.8
121.10184	1.1
126.24509	0.6
127.03972	2.0
127.26298	0.6
145.05064	0.8
150.96301	0.6
155.10698	0.7
173.11803	1.7
185.04233	0.9
191.52271	0.7
203.05183	0.7
213.09837	0.6
229.14407	1.2
243.08513	2.2
274.84683	0.6
347.09674	2.5
365.10718	0.9
405.13721	7.7
413.17825	10.4
519.29224	4.6
575.23071	8.6
681.34479	4.1
691.40155	2.1
853.45569	100.0
854.45752	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	849.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.2
69.07059	2.7
71.08632	11.6
71.34001	0.8
78.52061	0.3
81.07052	4.9
83.08618	3.5
85.10192	5.8
89.06005	0.6
91.24606	0.4
95.08611	7.0
97.10149	1.7
103.07590	0.5
109.10159	2.7
113.00014	69.4
123.11709	1.5
131.01047	0.8
137.13235	0.6
154.02614	0.7
169.02611	100.0
170.02950	0.5
187.03693	2.9
239.23764	1.0
257.24744	0.5
313.27362	42.5
314.27728	0.7
346.28253	0.4
400.23764	0.4
407.25571	24.2
599.53760	0.4
737.76703	0.4
836.32050	0.5
849.52545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.8
61.02633	0.8
61.02924	10.8
65.03940	2.1
67.05502	91.7
68.05823	0.8
69.03426	3.0
69.07066	6.8
70.68822	1.4
71.04987	3.1
73.02890	3.2
79.05488	16.5
81.03416	1.2
81.07054	33.4
83.04996	0.8
83.08614	8.1
85.02900	13.9
85.06538	2.4
87.04469	0.6
91.03953	9.1
91.05476	12.8
93.07038	21.9
95.04977	1.9
95.08604	24.5
96.04471	0.6
97.02898	6.8
97.06503	0.9
97.10171	1.4
99.04454	0.6
99.08084	0.7
103.03941	0.6
105.07022	6.2
107.08590	14.2
109.02866	0.7
109.06504	1.0
109.10149	78.0
110.10519	0.8
111.08081	3.2
117.06991	2.5
119.08576	10.5
121.10142	9.8
122.63232	0.4
123.11691	3.5
125.09641	1.2
127.03921	3.5
127.11111	0.6
131.08559	6.1
133.10127	5.6
135.11688	7.0
137.09612	3.3
137.13245	1.2
139.11188	0.6
145.04932	3.9
145.10110	3.1
147.11667	3.8
149.13251	5.2
155.10660	3.7
159.11691	3.7
161.13275	3.0
163.06020	4.2
163.11192	0.6
163.14838	3.4
173.11758	22.7
173.13260	3.3
175.14841	0.9
177.16496	0.9
185.13408	0.4
187.14795	1.4
189.11183	1.0
202.76974	0.4
213.14934	0.6
227.12793	6.3
229.14342	100.0
230.14578	2.2
233.22716	0.9
243.21034	5.9
259.20572	0.5
261.22134	17.6
317.24783	2.6
333.24249	0.6
335.25781	62.7
336.26147	2.3
379.29807	0.9
397.30902	1.7
415.31827	1.4
433.33340	1.0
453.34262	0.5
471.35339	2.2
489.35739	43.7
490.36041	1.8
507.36887	6.0
643.23407	0.7
742.49231	0.5
848.50903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.1
67.05520	5.7
69.03424	3.5
69.07066	2.1
71.61005	1.3
71.61488	1.3
73.02918	3.2
79.05502	5.2
81.03424	1.6
81.07056	4.5
85.02914	4.3
91.03951	1.4
91.05466	4.9
93.07056	6.2
95.05016	1.3
95.08612	3.4
97.02905	4.3
99.04449	1.2
101.02387	1.9
105.07038	4.0
107.08617	1.9
109.02911	1.3
109.10148	1.3
119.08602	3.4
121.10118	1.6
127.03994	1.0
135.11748	1.3
147.11729	1.3
156.13885	1.1
243.08464	4.5
301.08844	1.7
315.10318	1.2
333.20325	2.5
535.28552	6.7
551.28406	4.3
567.28229	1.9
623.30341	1.7
845.50262	100.0
846.50311	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	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.9
61.02636	0.9
61.02925	11.8
63.12596	0.4
65.03950	3.0
67.05502	100.0
68.05824	0.8
69.03431	2.8
69.07067	7.7
69.34869	4.0
71.04991	3.9
71.08649	0.6
72.39517	0.4
73.02913	3.4
73.30831	0.4
79.05492	21.3
81.03435	1.0
81.07055	41.5
82.37917	0.4
83.04973	1.4
83.08619	8.8
85.02512	0.3
85.02905	13.4
85.06540	3.0
91.03947	9.3
91.05478	14.7
92.86953	0.6
93.07043	28.5
95.04958	2.1
95.08603	28.7
97.02892	6.9
97.06525	2.0
97.10159	2.2
99.04431	0.6
99.08096	0.8
103.03899	0.8
105.04523	0.5
105.07030	8.2
107.08593	16.1
109.06502	1.4
109.10152	78.7
110.10490	1.0
111.08087	4.6
113.09631	0.6
115.03967	0.6
117.05551	0.4
117.07018	3.3
119.08576	13.2
121.10145	14.4
123.08047	0.5
123.11700	4.2
125.09637	1.7
127.03915	4.1
129.05504	0.7
129.07054	0.7
131.08554	7.5
132.67770	0.4
133.10123	5.8
135.11690	9.9
137.09584	3.4
137.13280	1.6
145.04945	4.5
145.10124	4.8
147.11708	4.9
149.13251	5.6
151.11169	0.6
151.14838	0.5
155.10686	4.2
159.11670	4.2
161.13246	3.6
163.06003	4.2
163.14819	4.0
171.11685	0.6
173.11763	24.4
173.13269	3.3
174.12068	0.6
175.14854	1.7
177.16365	1.1
187.14804	1.8
189.11230	1.4
195.13771	0.5
199.14815	0.9
227.12790	6.2
229.14346	98.8
230.14677	1.3
233.22649	0.7
243.21071	6.4
261.22141	25.5
262.22656	0.5
299.23874	0.5
317.24759	4.1
333.24231	0.6
335.25787	85.4
336.26218	2.5
373.18341	0.8
379.29828	1.3
397.30814	2.5
415.32092	1.4
433.33115	0.6
435.31708	0.5
471.34647	2.6
489.35742	80.1
490.35983	4.1
507.36780	7.3
633.39636	1.3
665.56262	0.5
719.29584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.3
67.05499	6.0
69.03426	2.0
69.07059	1.2
69.26149	3.6
69.26569	7.6
71.05004	1.3
73.02930	3.0
79.05491	6.3
81.03424	1.4
81.07063	4.2
85.02914	3.2
91.03957	2.6
91.05487	4.7
93.07037	5.6
94.12247	1.0
95.04987	1.3
95.08608	3.1
97.02905	3.3
98.32613	1.0
99.04425	1.4
101.02382	1.5
105.07037	4.2
107.08597	3.1
109.10165	1.2
119.08607	2.5
127.03886	2.0
129.05475	1.1
129.07002	1.0
129.55299	0.9
131.08592	1.1
133.10155	1.8
134.27190	1.0
135.11752	1.2
147.11647	1.2
161.13315	1.1
184.07436	2.8
243.08528	3.2
301.08917	1.4
333.20547	2.4
392.09216	1.1
413.18405	1.0
444.65393	1.1
465.21127	2.7
476.23087	1.0
535.28979	6.1
551.28149	7.0
613.79816	1.1
623.30981	1.8
845.50189	100.0
846.50751	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	845.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18497	1.0
69.45872	8.2
86.04977	1.0
98.21622	1.1
114.95919	1.0
119.05652	1.0
120.74998	0.9
155.58987	1.0
177.75311	0.9
234.89700	1.0
240.08827	0.9
542.64136	1.1
675.71619	1.1
759.41156	2.0
845.48077	100.0
846.48792	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	844.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.7
64.85429	1.3
67.05503	18.7
67.15675	1.6
68.99786	3.0
69.03428	42.6
69.07067	51.8
69.82648	9.3
71.01350	1.9
71.04987	5.9
71.08625	17.3
73.02908	3.9
79.05494	7.5
81.03419	32.4
81.07056	46.7
83.04987	7.5
83.08622	29.5
85.02905	100.0
85.06531	9.9
85.10171	10.7
87.00829	49.2
91.03931	1.6
91.05448	7.2
93.07040	15.0
95.04953	6.0
95.08606	55.4
97.02891	52.1
97.06522	6.8
97.10174	28.3
98.89069	1.6
99.04452	12.4
99.08083	4.9
105.01868	70.4
105.07026	9.0
107.04974	5.9
107.08597	11.8
109.02874	36.6
109.06490	3.7
109.09457	2.5
109.10160	32.8
111.04430	6.1
111.08087	12.3
111.11717	24.6
115.03913	10.0
119.08556	8.5
121.06485	2.9
121.10128	8.3
123.04450	3.5
123.08006	2.7
123.11704	13.1
125.05966	2.1
125.09652	1.5
125.13263	14.0
127.03915	84.1
129.01843	3.2
131.08571	3.9
133.06528	1.7
133.10136	6.0
135.07990	3.4
135.11676	5.8
137.05983	2.1
137.09581	4.3
137.13237	8.9
139.14748	2.9
143.08551	2.6
145.04973	16.0
145.10107	5.6
147.02864	3.2
147.08035	2.6
147.11682	4.4
149.09573	2.9
149.13266	7.8
151.03951	1.6
151.07541	1.7
151.14841	11.0
153.12704	1.5
157.10143	2.2
159.02916	9.4
159.11740	2.7
161.04436	4.5
161.09605	2.4
161.13266	4.2
163.11162	1.8
163.14845	3.8
165.09146	2.5
165.12828	1.7
165.16400	5.8
169.04916	1.4
169.15877	4.4
173.09558	1.7
175.14871	3.1
177.16409	1.8
179.17947	2.6
187.06001	2.1
189.03889	7.3
191.17874	2.5
193.19565	3.3
195.21101	1.8
201.03922	2.4
205.19527	1.8
213.03972	11.0
219.04974	4.7
221.22646	2.7
229.15770	2.3
231.05017	32.6
247.04492	2.3
249.06076	22.8
250.29726	1.5
255.17120	1.4
273.05963	7.1
275.27292	5.8
277.28854	6.6
287.27353	1.6
289.29080	2.1
293.28430	6.2
295.29977	30.4
299.27417	1.6
301.28931	2.2
305.28415	3.8
307.30087	7.5
313.28778	1.6
317.28418	2.7
319.29959	8.0
339.07330	2.1
361.31027	8.2
367.29892	3.2
373.30994	2.7
385.31064	18.6
403.32068	24.8
421.33109	3.3
461.09247	6.4
463.34161	5.6
471.31067	2.6
479.10046	5.5
489.25006	1.8
489.32101	25.4
495.33133	3.3
507.33264	24.6
525.34247	17.5
543.35236	3.1
751.32941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.9
67.05505	100.0
69.07075	26.6
69.88030	14.7
71.04990	6.8
72.12015	3.5
72.39042	3.9
79.05495	69.7
81.03408	6.2
81.07058	93.6
83.04987	6.0
83.08615	15.3
85.02913	4.2
91.05486	47.4
93.07041	68.1
95.04947	11.9
95.08605	59.6
97.06536	7.8
97.10173	8.0
102.90630	3.8
105.07037	41.7
107.04952	6.1
107.08598	43.3
109.06498	8.0
109.10162	41.3
110.00535	3.3
112.15944	3.8
117.07019	12.7
119.08589	29.3
119.59222	3.7
121.06506	3.7
121.10143	37.4
123.08085	7.1
123.11700	8.9
129.07036	4.6
131.08568	21.9
133.10126	18.4
135.11671	16.0
136.44324	3.3
142.40894	4.1
143.08621	10.1
145.10121	16.4
147.11627	16.6
149.09691	3.9
149.13239	10.7
157.10101	4.7
159.11690	9.0
161.13271	6.5
163.14774	5.4
171.11763	5.4
173.11850	6.9
173.13286	9.7
175.14841	3.8
184.07375	8.2
187.14767	3.9
205.16006	4.7
227.12692	5.6
229.14267	21.6
235.16962	3.9
261.22049	8.7
269.17401	18.1
271.81378	3.4
275.20148	22.8
293.20914	6.9
309.20554	8.1
335.25812	95.2
349.23749	22.8
367.24954	12.7
470.36404	4.1
489.35834	13.3
529.38806	31.0
569.42316	37.6
609.45294	29.1
627.46301	22.3
830.42889	4.0
842.52417	7.9
843.48297	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	7.6
63.87550	2.2
66.46985	2.8
67.05520	15.4
69.03426	41.0
69.07067	13.0
70.05231	12.2
71.04985	6.8
71.08624	5.6
71.60904	2.4
73.02905	7.2
79.05470	7.7
81.03415	30.4
81.07058	38.5
83.05011	3.4
83.08613	12.4
85.02901	100.0
87.00826	40.1
91.05476	5.1
93.07045	17.2
95.04957	4.5
95.08614	35.4
97.02892	46.2
97.06545	3.0
97.10162	6.1
99.04471	13.6
104.39754	2.7
105.01866	56.5
105.07052	12.8
107.04949	4.4
107.08597	16.1
108.98427	2.4
109.02866	39.2
109.10155	24.2
111.04458	2.9
111.11745	5.2
115.03966	2.7
117.01850	6.0
117.06941	2.6
117.57655	2.3
119.08579	9.4
120.14861	2.3
121.10176	12.3
123.04404	3.4
123.08147	2.7
123.11684	11.6
125.13266	5.2
126.42059	2.4
127.03915	74.2
129.01807	6.2
131.08574	4.1
133.10129	4.1
135.10773	2.2
135.11633	11.6
137.13225	5.0
145.04955	27.6
145.10106	5.9
147.02925	4.6
147.11649	5.7
149.09682	2.8
149.13232	19.4
159.02893	18.9
161.13213	4.8
163.14815	7.1
165.16391	5.5
173.04529	3.5
175.14749	4.3
175.97737	2.9
179.17886	3.3
189.03947	4.4
190.84636	2.4
193.19435	2.8
213.03938	6.1
219.21089	4.0
231.04987	28.2
249.06065	12.6
275.27328	12.0
293.28372	6.2
305.28604	2.9
315.26834	3.4
333.27960	3.8
355.29953	3.2
383.25137	2.8
383.29492	10.0
401.30515	17.5
419.31473	9.6
477.31363	3.4
487.30432	9.4
505.31497	13.5
523.32324	11.2
620.94684	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.5
65.03923	6.5
67.05503	95.8
69.03420	13.8
69.07066	56.4
71.05011	17.1
71.61369	4.0
73.02912	5.9
79.05492	88.1
79.05959	5.1
81.03425	24.0
81.07053	100.0
83.04974	13.8
83.08615	14.6
85.02895	9.4
85.06562	3.5
91.05481	54.1
93.07037	85.1
95.04969	21.6
95.08598	67.9
97.02888	11.3
97.06522	70.9
97.10167	6.6
99.08086	5.5
105.07027	42.7
107.04955	8.1
107.08591	45.7
109.02883	6.9
109.06529	22.0
109.10159	22.2
111.08059	7.3
113.06009	5.1
115.07555	29.4
117.07012	25.0
119.08568	34.0
121.06481	9.0
121.10125	31.3
123.08089	6.7
123.11698	5.3
127.03928	7.0
129.06999	7.6
131.08589	30.1
133.06439	4.8
133.10149	24.5
135.08058	12.4
135.11702	18.9
137.09624	5.8
141.42644	3.3
143.08540	12.7
145.10098	17.0
147.08076	6.0
147.11713	15.7
149.09637	4.1
149.13239	8.8
155.08444	4.6
157.10097	8.3
159.11697	16.3
161.09598	6.8
161.13309	5.2
163.11131	3.9
169.10223	4.1
171.11694	11.5
173.13258	10.4
175.11211	4.5
177.12727	4.0
185.13240	3.3
187.11259	4.4
187.14856	4.9
190.18048	3.5
195.13779	3.8
199.14732	5.9
217.15913	10.6
227.12669	3.5
233.15390	6.0
234.60994	3.4
245.19124	3.8
253.14127	5.0
259.20605	3.8
261.22137	14.3
267.15863	4.3
269.17545	11.0
273.18457	35.0
289.17859	3.6
291.19547	14.8
335.25797	85.8
347.22141	13.7
355.14865	3.6
365.23227	11.2
470.21915	3.1
491.26303	3.6
515.37274	5.2
529.38837	26.8
607.42950	7.1
625.44647	19.6
643.45782	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.2
67.05501	96.0
69.03420	11.3
69.07068	53.9
69.27888	3.2
71.05005	21.9
71.61464	5.0
73.02908	5.3
73.53830	2.9
77.58225	2.6
79.05492	79.5
81.03408	29.8
81.07056	100.0
83.04937	14.9
83.08600	16.9
85.02914	7.4
85.06554	4.5
86.28515	3.1
91.05470	56.6
93.07037	78.5
95.04958	24.6
95.08608	54.4
97.02882	12.9
97.06526	77.3
97.10184	5.5
99.08087	5.6
105.07024	39.3
107.04951	11.7
107.08599	41.9
109.02872	4.5
109.06525	24.7
109.10148	23.9
111.08064	7.6
115.07563	20.1
117.07033	17.3
117.69369	2.7
119.08582	30.0
121.06544	4.7
121.10145	30.4
123.08082	9.4
123.11685	3.9
127.03908	3.5
128.06206	4.2
129.06992	12.4
131.08545	28.9
133.06461	3.9
133.10123	26.8
135.08089	11.1
135.11656	17.4
137.09621	4.4
143.08580	8.6
145.10132	24.6
147.08038	8.7
147.11702	12.9
149.09619	8.8
149.13252	11.3
150.53760	3.2
151.11200	6.5
155.08456	3.0
157.10143	12.4
159.11700	14.5
161.09656	10.8
161.13258	6.1
163.11195	3.9
171.11740	5.3
173.04395	5.3
173.09665	3.4
173.13287	8.5
175.11189	5.5
177.12750	5.0
185.13304	4.9
187.14851	3.8
193.12260	5.6
199.14799	4.5
201.12822	3.3
217.15887	12.5
227.12776	4.2
233.88971	3.0
245.19002	4.0
254.86519	3.4
255.17538	5.7
261.22083	9.3
267.15851	12.5
269.17542	16.3
273.18488	37.3
275.20071	4.8
283.37994	3.4
291.19495	14.4
328.11670	3.5
333.24112	4.8
335.25778	92.9
347.22101	11.5
365.23245	14.0
374.03497	3.9
503.47012	3.4
527.37524	3.9
529.39197	24.0
545.38239	5.1
551.39948	4.2
572.03296	4.2
607.43378	5.5
625.44757	16.5
643.45605	3.9
785.58710	3.0
840.51001	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	839.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	18.4
65.03918	1.4
67.05507	14.3
69.03430	3.4
69.06724	0.5
69.07066	6.8
69.95664	3.3
71.01324	1.9
71.04981	0.9
73.02566	0.7
73.02917	10.4
79.05501	8.1
81.03418	2.9
81.07063	22.3
83.01318	1.3
83.08611	2.8
85.02908	38.3
87.31836	0.5
91.03960	18.2
91.04966	0.8
91.05480	9.9
93.06477	1.0
93.07048	20.8
95.01331	28.6
95.04954	2.2
95.08607	47.5
95.98017	0.6
96.32014	0.6
97.02280	1.0
97.02894	19.3
97.06511	1.1
97.10149	0.9
99.00809	3.2
99.04431	1.7
101.02361	1.3
103.03943	2.9
103.05436	1.1
104.82600	0.6
105.07033	21.5
107.04927	1.6
107.08600	27.6
108.90020	0.6
109.02877	1.0
109.06497	1.7
109.10160	36.4
111.08073	4.9
113.02349	3.0
115.03896	1.9
115.05434	1.2
117.06999	4.4
119.08585	21.9
121.06446	1.2
121.10143	18.2
123.00755	1.4
123.04412	0.7
123.08055	1.3
123.11713	8.2
125.05962	2.5
125.09649	0.9
127.03078	0.8
127.03922	10.7
128.06224	1.0
129.06970	2.8
131.03441	2.7
131.08571	13.1
133.06473	0.9
133.10130	18.0
135.04410	1.2
135.08038	1.1
135.11699	13.8
137.05988	8.2
137.13217	2.1
139.07532	1.1
139.11137	1.8
141.01828	68.6
142.07750	1.4
143.08542	8.9
144.09293	1.2
145.04955	11.1
145.06238	0.9
145.10124	19.0
147.08017	1.0
147.11691	15.6
149.05980	4.2
149.13268	17.6
151.03864	1.5
151.07503	2.1
151.11183	1.6
151.14772	1.1
153.06979	0.8
153.12675	0.6
155.08559	2.8
156.09348	2.2
157.08922	0.9
157.10127	10.3
158.10960	0.7
159.02899	11.8
159.08032	0.8
159.10432	1.2
159.11696	19.6
160.12485	1.4
161.09555	1.0
161.13255	11.0
163.06039	21.2
163.07458	2.6
163.14810	6.1
165.09093	2.0
165.12749	0.6
165.16315	0.6
167.07034	1.3
167.08403	0.8
167.14262	0.7
169.10123	3.4
171.11705	13.2
173.09634	1.4
173.13260	13.3
174.13934	0.8
175.07500	2.3
175.11127	1.3
175.14813	6.5
177.04039	3.0
177.05403	0.6
177.09117	3.2
177.16374	7.4
179.10658	1.2
181.04964	3.8
181.10097	1.2
183.11673	5.1
184.12538	0.7
185.09641	1.3
185.13257	8.2
187.11147	0.8
187.14841	10.8
188.15480	0.7
189.09122	2.6
189.12717	1.8
189.16397	13.3
191.06981	1.5
191.10660	3.9
191.17972	1.7
193.12222	1.4
193.15930	1.2
195.11661	1.9
195.17456	1.6
196.12415	0.9
197.13271	5.7
199.11172	2.6
199.14845	8.8
201.12761	3.4
201.16377	12.6
203.10680	2.7
203.14227	1.2
203.17967	2.9
205.12225	2.9
205.15891	2.8
207.11812	0.8
207.17410	6.1
209.13286	2.7
211.14774	2.3
213.09187	0.9
213.12741	2.1
213.16354	3.6
215.10728	0.8
215.14287	2.1
215.17935	2.5
217.12244	6.2
217.15884	1.6
217.19466	0.7
219.10210	0.7
219.13853	6.5
219.17447	2.5
223.14810	2.0
225.12752	1.3
225.16388	2.3
227.10771	1.2
227.14252	1.9
227.17996	3.8
229.12187	1.5
229.19505	1.4
231.13805	6.2
233.15373	3.9
235.14964	0.6
237.11072	1.5
237.16429	1.1
239.18037	1.5
241.12097	0.9
241.19518	1.8
243.13811	5.5
245.11649	0.8
245.15398	5.5
249.11128	1.4
253.19572	1.6
255.13939	0.9
255.17116	0.8
257.15353	1.8
259.13144	0.9
259.16934	2.3
263.12830	1.9
267.21133	1.3
269.15472	1.0
269.22662	1.0
271.16971	2.7
273.18549	1.9
275.12854	1.1
277.14368	6.5
281.22708	0.9
283.16977	1.1
285.18423	0.9
287.12857	1.0
287.20276	0.8
289.14313	13.4
295.24115	0.8
297.18564	0.8
299.20135	0.9
301.14316	3.9
303.15936	6.3
311.20172	1.6
313.14230	1.3
313.21817	0.9
315.15924	9.1
317.17447	4.9
321.08401	0.7
325.21603	0.8
327.15723	2.9
329.17502	4.2
331.19067	1.9
341.17410	1.0
343.18942	5.7
355.19037	1.7
357.20480	3.6
369.20593	2.7
371.22305	3.4
375.30426	0.9
381.27609	1.0
383.22137	1.6
387.14392	3.8
391.30093	1.2
393.31201	0.9
395.22308	1.0
403.30185	1.3
409.23776	1.7
409.31137	0.9
419.29401	1.2
421.30914	6.3
423.25354	2.5
425.26895	14.7
437.30637	1.3
439.32562	1.4
447.28885	1.0
453.30063	13.8
455.31396	0.7
463.28445	0.6
465.30035	96.8
466.30600	1.6
483.31079	100.0
484.31772	1.6
501.32153	8.5
565.20428	1.4
623.31964	1.3
641.33197	3.7
653.26697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05661	1.0
68.05043	1.3
70.06593	60.0
71.04996	1.4
71.50989	1.5
73.42066	0.6
75.05605	10.2
83.06104	1.6
84.04502	31.0
85.02918	1.2
85.07670	1.4
91.05483	7.3
93.07069	0.9
95.04986	0.6
95.06084	3.2
95.08652	0.6
96.04507	1.9
97.02963	0.8
97.07677	2.6
97.55779	0.6
98.06059	0.8
98.97618	0.9
101.07143	14.1
102.05533	3.4
103.05466	1.5
105.07055	0.7
105.17611	0.6
107.04942	1.4
112.08733	25.5
113.07119	4.5
115.08693	11.7
115.09430	0.9
119.04934	5.6
120.08106	35.9
121.06495	0.8
124.03984	1.9
124.08675	1.3
125.07169	1.7
126.52996	0.7
127.03899	0.7
129.06628	5.0
130.06490	0.6
132.08110	2.4
136.07581	82.0
137.07971	0.9
138.06737	0.6
140.08224	2.5
141.06606	4.0
146.06039	1.4
147.04375	1.5
148.07588	4.1
148.08656	0.8
148.66859	0.6
151.05051	1.2
152.03513	3.9
152.08232	2.5
153.06577	0.7
157.10902	1.8
158.09297	1.5
159.07703	1.0
160.07585	0.8
161.01225	0.9
169.06094	8.5
176.07111	0.8
177.10239	3.4
181.09856	1.5
183.34451	0.6
186.08784	7.3
187.07188	3.5
187.08693	1.0
193.09732	19.9
195.07794	2.0
203.08267	1.5
205.09702	3.3
212.10413	2.0
213.08820	1.7
215.08330	1.4
215.12109	0.6
216.14949	1.6
217.13483	1.5
220.07079	0.6
221.09206	4.2
222.12509	2.5
223.07196	1.4
224.10332	0.9
227.11807	0.9
230.11177	1.1
241.08092	3.9
242.12895	4.7
243.11079	1.2
244.14403	5.0
252.09795	0.7
253.08186	0.7
258.10925	1.2
259.11108	0.7
259.15530	17.0
276.57880	0.6
278.15024	0.9
280.09329	1.1
281.07910	1.4
285.12424	1.1
287.15048	2.4
288.13574	0.8
295.14426	0.9
297.11945	1.4
298.10544	2.8
303.14569	5.6
304.13028	2.0
315.13068	1.4
316.12823	0.9
332.12439	1.5
333.15735	0.9
338.09879	1.1
344.17346	1.0
355.12820	1.3
358.42712	0.9
360.16656	1.6
361.19873	2.0
373.14120	0.9
381.63971	0.6
399.16711	0.6
417.17999	0.7
433.17789	0.9
444.23691	1.7
471.19806	0.7
490.19363	0.9
514.21802	0.9
573.27875	1.5
630.30194	0.9
810.38477	1.0
821.36627	1.4
838.38409	100.0
839.38666	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	837.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.5
71.21107	1.2
81.07060	0.8
95.54910	0.6
181.39288	0.7
182.08376	0.7
183.09183	0.7
184.09862	0.9
185.07088	1.2
195.09163	1.8
197.10709	3.4
198.11552	0.7
199.08635	2.5
209.10738	1.1
211.08609	2.7
212.09390	12.5
213.10176	5.7
213.13631	0.6
217.13307	1.3
222.07887	2.1
223.08791	2.9
223.12260	4.0
224.09431	1.4
225.06563	2.3
225.10202	31.1
226.10912	2.3
227.08199	3.9
227.11757	6.3
228.12198	0.8
237.06659	0.7
237.10223	5.5
238.08745	1.4
238.10861	0.8
239.08070	1.6
239.11804	5.4
240.12547	100.0
241.09851	4.1
241.13329	53.8
242.13747	0.9
249.10173	1.2
250.07344	1.3
251.08070	5.6
252.08902	1.4
253.06013	5.8
253.09726	3.9
255.07640	2.5
255.11266	2.3
257.09195	1.5
259.14398	2.2
265.09659	7.7
266.08127	0.8
267.07654	5.0
267.11249	7.0
268.09467	0.7
269.05655	0.6
269.09293	2.5
269.12369	0.6
279.07602	4.0
283.07101	2.5
283.10718	7.5
284.07416	0.6
284.11353	0.7
285.12228	0.9
293.09192	7.9
295.07666	0.8
295.10754	12.1
297.08624	2.6
311.10202	11.6
312.10999	3.9
321.08618	4.8
323.10379	0.7
327.13263	0.8
329.11096	0.9
339.09760	14.8
371.12378	1.4
385.10040	1.0
479.16705	1.1
507.23392	0.6
563.22919	2.9
589.20599	0.8
594.20538	1.4
597.23517	1.0
607.21832	41.5
608.21857	1.4
609.23303	1.2
615.24249	2.6
625.12250	1.1
625.22772	22.1
626.22992	1.9
629.25446	1.1
639.24451	29.0
640.23541	0.8
641.25568	1.5
657.25464	42.0
658.25531	1.4
675.29779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.0
65.03929	0.9
67.05505	5.2
69.03427	2.4
69.07078	1.7
71.05019	0.8
71.33919	1.4
73.02897	3.8
79.05484	4.6
81.03423	2.3
81.07052	4.7
85.02909	3.7
86.09710	0.7
91.03969	2.5
91.05475	5.2
93.07056	6.0
95.04967	1.0
95.08604	3.5
97.02902	4.1
99.04414	1.0
101.02397	1.4
105.07035	4.1
107.08611	2.4
109.10153	1.0
117.07046	0.7
119.08602	3.7
121.10180	2.0
127.03938	1.6
133.10167	2.3
135.11707	1.9
143.08560	0.9
145.10158	1.2
147.11768	0.8
159.11763	1.1
175.22385	0.8
184.07454	0.9
185.04318	1.4
242.34021	0.7
243.08487	2.9
259.20819	0.9
301.09000	2.1
315.10403	1.1
317.20996	0.9
373.11176	0.9
385.18375	0.7
397.17966	0.8
465.21277	2.2
525.23224	1.6
535.28790	15.9
535.36548	1.1
607.31378	1.4
759.43091	0.8
829.50659	100.0
830.50964	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.1
67.05502	5.4
69.03431	4.5
69.07065	1.8
71.05006	1.1
71.10076	1.1
73.02919	4.8
79.05492	4.3
81.03423	2.1
81.07052	5.8
83.04980	0.5
83.08615	0.5
85.02898	5.2
87.04456	0.4
91.03953	3.8
91.05477	3.5
93.07037	4.6
95.08606	3.9
97.02895	5.7
97.10183	0.9
99.04449	0.9
101.02370	2.4
105.07040	2.7
107.08566	2.3
109.02888	0.9
109.10157	1.9
116.13533	0.5
117.07013	1.1
119.08595	1.7
121.10159	1.7
127.03951	1.7
131.08574	1.3
133.10114	1.2
135.11696	0.6
145.10135	0.6
149.13281	0.7
159.11687	0.8
185.04170	0.7
201.75252	0.4
203.05264	0.5
243.08389	2.7
273.03159	0.5
333.20358	2.2
335.25882	0.7
389.23303	0.6
465.20859	0.7
519.29340	7.4
551.28223	5.0
551.83282	0.4
637.38940	0.4
723.62384	0.5
829.50653	100.0
830.51099	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.1
65.03943	0.5
65.70495	0.4
67.05504	7.2
69.03436	3.6
69.07070	1.6
73.02916	5.5
79.05482	4.7
79.59774	0.4
81.03410	2.1
81.07054	6.7
83.04995	0.6
83.08620	0.9
85.02902	7.2
85.03373	0.7
87.04477	0.8
91.03957	3.9
91.05475	3.6
93.07042	5.5
95.04971	1.0
95.08606	5.2
97.02881	6.3
97.06530	0.7
98.21497	1.5
99.04446	1.2
101.02374	1.8
105.07047	2.1
107.08562	2.5
109.02877	1.3
109.06547	0.8
109.10178	2.0
115.03979	0.5
117.07014	1.1
119.08587	1.8
121.06618	0.4
121.10116	2.6
123.11726	0.6
127.03930	1.7
131.08588	1.2
133.10101	1.0
135.11700	1.3
143.08522	0.5
145.10147	0.8
159.11745	0.7
173.88713	0.4
175.31744	0.4
175.60986	0.4
185.04268	1.1
188.55856	0.4
203.05292	0.9
231.15527	0.5
243.08342	2.9
333.20401	3.9
335.25928	0.8
345.31711	0.4
389.23080	0.8
397.67242	0.5
453.21332	1.1
519.29358	7.4
520.29797	0.5
551.28290	3.9
679.83661	0.4
829.50653	100.0
830.51080	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	23.6
61.03236	1.0
65.03927	1.5
67.05505	20.8
69.03422	6.5
69.07069	13.7
70.06590	4.3
71.01349	1.5
71.04967	1.4
71.30365	1.7
72.08150	1.0
73.02912	12.0
73.19407	1.0
77.03913	1.2
79.05496	15.3
80.60950	0.9
81.03411	3.5
81.07057	43.3
83.01351	1.0
83.04958	2.5
83.08616	6.6
84.04532	0.9
84.08146	1.3
84.58938	1.0
85.02905	51.3
85.06530	2.2
86.09706	1.6
91.03954	24.8
91.05476	14.9
93.07047	38.5
95.01331	38.5
95.01949	2.1
95.04962	6.1
95.08605	84.1
97.02888	23.8
97.06544	4.4
97.10170	3.0
99.00802	2.5
99.04443	2.7
99.08107	1.1
101.02379	1.3
103.03918	5.9
105.07033	40.0
107.04958	1.7
107.08595	60.1
109.02872	1.7
109.06529	7.9
109.10155	50.5
109.10909	2.4
110.41822	1.0
111.08088	19.4
111.11713	1.3
113.02355	4.9
115.03959	1.7
115.05386	1.1
117.07018	3.9
119.08582	51.2
120.08113	1.3
121.06502	4.1
121.10146	41.1
121.11018	2.2
123.00796	1.7
123.08066	9.4
123.11708	18.0
125.09621	3.5
127.03917	15.5
127.07574	1.8
128.06123	1.1
129.07005	1.8
130.07813	1.0
131.03395	2.7
131.08569	15.3
133.06564	1.1
133.10132	57.0
135.08086	7.4
135.11693	33.5
137.05946	1.3
137.09627	4.0
137.13243	5.2
139.11168	3.4
141.01826	100.0
141.09126	2.5
142.02211	1.2
142.07814	1.8
143.08575	6.2
144.09335	1.6
145.04951	14.5
145.10129	27.5
146.10655	1.0
147.04462	1.8
147.08051	2.1
147.11687	40.4
149.09586	4.1
149.13260	30.8
151.11200	3.1
155.08557	1.9
155.10651	1.0
156.09317	1.6
157.10138	13.5
158.10849	1.5
159.02887	16.6
159.11693	29.5
161.09656	5.6
161.13264	29.6
163.06020	27.8
163.11180	3.9
163.14818	14.2
165.12735	2.5
165.16315	1.1
167.10617	1.4
169.10179	3.1
170.10861	1.1
171.11693	12.1
173.09637	1.8
173.13263	23.1
173.14673	1.9
175.11261	6.3
175.14819	22.9
175.16267	1.9
177.03900	4.4
177.12743	3.8
177.16400	21.0
179.14307	1.2
181.04959	1.3
181.10092	1.2
183.11702	4.5
184.12442	1.3
185.13239	8.9
187.11119	1.1
187.14809	19.0
189.12759	4.1
189.16391	33.6
191.14314	3.7
191.17928	6.7
193.12221	2.0
193.15848	8.3
195.11717	1.2
195.17491	3.9
197.13222	4.8
199.14803	9.5
201.12662	1.2
201.16368	19.4
203.14365	4.9
203.17953	21.9
205.15898	9.9
205.19485	2.0
207.17456	13.2
209.13324	1.3
211.14827	4.3
213.16385	11.4
215.14355	3.6
215.17934	13.5
217.15932	8.6
217.19534	6.9
219.13834	3.5
219.17407	8.4
221.15401	5.2
221.18915	5.3
223.14810	1.8
223.16948	1.8
225.16391	5.1
227.17902	4.0
229.15895	3.3
229.19490	3.3
231.17450	12.4
233.15338	2.6
233.19029	3.6
235.16879	7.7
237.16440	1.7
239.16336	3.9
239.18364	1.2
241.19530	1.8
243.17493	4.0
243.21056	2.5
245.18990	1.6
247.16927	2.7
247.20647	1.4
249.18469	9.5
251.16420	3.6
253.19751	1.5
255.21268	1.0
257.19116	1.8
257.22650	1.5
259.16986	1.3
259.20532	2.1
261.18509	4.5
261.21933	1.5
265.19781	1.7
267.21365	1.8
269.19183	1.2
269.22549	2.1
271.20480	2.3
273.21970	1.1
279.19589	7.1
281.22717	1.8
287.05673	1.1
289.21622	2.2
297.22177	1.4
301.21811	2.1
301.25012	1.3
305.20920	1.3
311.23874	1.2
311.27341	1.5
315.23047	1.7
325.25128	2.0
327.23257	1.1
329.24704	2.1
335.27225	1.5
343.26172	1.7
347.25809	3.7
361.28799	2.2
365.19250	1.3
379.29941	9.2
389.32117	1.3
391.33627	1.1
397.30969	12.9
401.31976	2.7
407.33090	9.1
409.34555	4.1
415.32004	4.8
419.33081	19.7
425.34143	39.3
426.34619	1.6
437.34155	76.4
438.34387	1.8
443.35449	6.3
455.35208	71.5
456.35419	2.1
473.36276	68.5
474.36316	1.5
495.18604	1.1
595.36298	3.3
613.37396	5.3
631.38477	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	829.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72876	1.1
61.02928	21.1
62.11419	1.5
65.40154	1.1
67.05168	1.2
67.05500	14.9
68.05021	2.4
69.03432	9.5
69.07063	9.1
69.32311	12.8
70.06579	4.2
71.01350	3.1
71.04990	1.5
73.02916	10.0
79.05493	10.5
81.03416	6.6
81.07058	35.5
83.01312	1.7
83.04986	2.6
83.06095	4.2
83.08616	3.9
84.91193	1.9
85.02903	43.4
85.07664	15.5
86.06021	1.1
86.09708	1.6
91.03954	20.1
91.05481	11.0
93.07043	31.7
95.00748	2.4
95.01328	37.1
95.04972	8.3
95.08603	64.0
97.02888	24.8
97.06541	9.8
97.10169	3.2
98.21566	1.6
99.00828	1.2
99.04441	3.1
99.08120	2.0
101.02383	1.7
103.03954	3.4
103.05383	1.6
105.07027	38.2
107.04960	63.8
107.08595	45.9
108.05303	8.1
109.02870	4.8
109.06522	6.4
109.10155	37.3
109.10912	1.6
110.10469	1.1
111.07347	2.2
111.08080	26.6
113.02354	4.4
113.06014	1.5
115.03956	1.7
117.06966	5.6
119.08584	44.2
121.06523	2.4
121.10147	29.5
123.00774	2.4
123.08066	4.6
123.11716	10.1
125.09659	5.6
127.03923	22.2
127.07576	3.2
129.06960	2.9
131.03375	3.3
131.04912	1.7
131.08566	15.3
133.10130	34.8
135.08064	3.5
135.11697	23.2
137.09608	2.9
137.13229	2.2
139.11200	2.4
141.01825	96.4
142.07788	2.8
143.08568	8.5
144.09322	2.2
145.04959	14.9
145.10120	26.9
146.06021	2.2
147.08086	1.6
147.11685	32.5
149.09593	3.2
149.13251	25.0
151.11180	3.7
156.09262	1.7
157.10143	15.5
158.10896	1.6
159.02904	12.0
159.11685	38.9
160.12286	1.7
161.09625	3.6
161.13251	28.9
163.06017	23.7
163.11153	3.5
163.14833	6.3
165.12756	2.5
167.10754	1.4
169.10121	3.8
170.10892	1.7
171.11679	14.1
172.48412	1.2
173.13258	25.1
174.09105	1.9
175.11153	4.7
175.14806	17.7
177.03969	5.7
177.12808	1.7
177.16385	20.0
183.11693	4.8
184.12445	2.2
185.13232	7.0
187.14821	16.3
189.12749	2.9
189.16382	28.3
191.14392	2.8
191.17960	3.5
193.15916	3.3
195.11874	1.2
197.13289	5.3
199.14804	14.6
201.12726	2.5
201.16354	19.8
203.14333	4.4
203.17923	13.1
205.15837	11.1
207.17448	7.4
209.13297	2.8
211.14775	5.5
213.16347	14.9
215.06992	2.0
215.14363	2.4
215.17935	12.4
217.15894	11.7
217.19453	2.9
219.17491	8.1
221.19237	1.4
223.14766	3.8
225.16367	4.5
227.17853	5.7
229.15891	3.5
229.19537	4.2
231.17409	9.7
233.19000	3.5
235.16982	2.9
237.16394	2.2
239.17934	4.2
241.15865	1.7
241.19499	4.3
243.17529	3.3
243.21089	3.1
245.18933	2.0
247.16948	2.9
249.18501	4.0
251.18050	3.0
253.19499	3.4
255.21036	2.8
257.19025	2.5
261.18536	7.7
261.22180	1.4
265.19373	1.2
267.20996	2.4
269.22589	2.3
271.20538	4.5
275.19949	2.1
276.72375	1.2
279.08646	8.6
281.22220	1.4
283.20599	1.4
283.24255	1.7
287.20071	1.5
289.21667	2.1
293.22723	2.3
295.23984	1.3
297.22018	1.9
299.23676	1.7
301.21698	1.7
305.22482	1.5
309.25644	1.4
311.23639	2.6
315.23187	1.5
321.25891	2.0
325.25363	1.4
327.22940	1.7
327.26651	2.5
329.24762	1.5
343.26315	1.7
361.28842	4.0
379.25513	2.3
379.29941	21.7
389.32040	1.6
391.33612	1.3
397.30963	6.1
401.32089	3.2
407.33032	15.9
415.31842	1.6
419.33105	38.4
425.34079	12.1
437.34174	94.2
438.34341	4.8
443.35056	7.7
455.35220	100.0
456.35471	3.5
456.99768	1.5
473.36276	31.3
506.27835	1.3
577.35425	1.8
595.36102	4.5
613.37561	8.3
631.38043	3.9
677.49432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	23.9
62.56742	0.7
65.03934	1.5
67.05503	17.1
68.99768	0.7
69.03419	4.3
69.07066	9.1
70.06585	3.3
70.78300	1.6
71.01340	2.2
71.04984	1.2
71.08641	0.6
73.02914	12.6
75.04482	0.9
77.03915	0.9
77.74127	0.5
79.05490	11.3
81.03414	1.9
81.07056	36.8
83.01331	1.4
83.04974	1.1
83.08614	5.3
85.02902	48.9
85.06540	1.0
86.06057	0.6
86.09700	1.2
91.03951	26.3
91.05465	11.1
93.07041	29.9
95.01325	36.1
95.04958	2.0
95.08603	67.8
96.08928	0.6
97.02888	25.4
97.06538	3.0
97.10134	2.9
99.00809	3.6
99.04440	1.9
99.08087	0.9
101.02383	2.4
103.03931	3.5
103.05440	0.6
105.06300	0.8
105.07024	29.3
107.08590	46.8
109.02885	2.0
109.06503	2.6
109.10152	52.6
111.08076	13.8
111.11703	1.4
113.02377	5.4
115.03913	1.6
117.07013	3.4
119.08578	42.2
120.08910	0.9
121.06508	1.1
121.10140	38.8
123.00763	1.3
123.08076	3.8
123.11700	15.5
125.09627	2.2
127.03909	15.3
128.06209	0.8
129.07008	1.4
129.10191	0.7
130.07742	0.8
131.03412	2.9
131.08571	11.9
133.10124	34.5
135.08069	1.7
135.11685	21.4
137.09599	1.2
137.12346	0.8
137.13242	4.9
139.07550	2.0
139.11156	2.8
141.01822	100.0
142.07712	0.8
143.08534	4.8
144.09329	1.2
145.04955	15.9
145.10120	32.2
147.08080	0.8
147.11681	31.6
149.09625	2.0
149.13254	30.3
151.11169	1.9
151.14798	0.9
155.08563	1.3
156.09349	2.0
157.10115	12.1
158.10904	1.3
159.02884	14.3
159.08067	0.8
159.11688	33.5
160.12541	0.6
161.09615	2.2
161.13251	33.1
162.13617	0.7
163.06018	26.8
163.11192	2.1
163.14815	17.9
165.12769	1.7
169.08771	1.1
169.10143	3.8
170.10889	1.7
171.11673	15.1
171.13126	0.9
172.12440	1.1
173.09697	1.1
173.13264	27.6
175.11234	3.3
175.14813	22.1
177.03917	4.3
177.12756	1.6
177.16379	16.0
179.10733	0.9
179.14314	1.7
181.10042	1.2
182.11005	0.6
183.11696	4.3
184.12514	0.8
185.09673	0.6
185.13254	10.6
187.11223	1.0
187.14822	24.6
189.12827	3.2
189.16386	20.8
189.18118	1.2
191.10707	1.1
191.14345	2.8
191.17938	9.4
193.08522	1.0
193.12221	1.4
193.15857	1.4
195.11679	1.1
195.17386	3.4
197.13300	4.4
199.14816	12.8
201.12741	0.9
201.16380	26.1
203.10634	0.9
203.14323	4.1
203.17953	25.2
205.12222	2.6
205.15871	9.1
205.19478	3.0
207.10211	1.0
207.13815	4.1
207.17445	7.8
209.13309	1.8
211.14786	4.4
213.16376	9.5
215.14374	1.6
215.17960	14.0
217.12277	2.4
217.16022	3.5
217.19498	11.3
219.13855	6.6
219.17407	4.8
221.13567	0.7
221.15376	2.8
221.18991	4.7
223.14940	1.3
225.16409	3.0
227.14336	0.7
227.18068	3.7
229.12225	0.9
229.15857	2.1
229.19489	3.3
231.13789	4.1
231.17427	3.2
231.21136	0.7
233.15363	12.4
233.18925	3.7
235.13268	1.0
235.16978	1.4
235.20607	1.4
237.14854	2.6
239.17899	3.3
241.15916	0.8
241.19482	2.9
243.13786	1.4
243.21115	2.5
245.15327	4.2
245.19072	1.0
247.16888	9.1
249.14592	1.3
249.18446	0.9
251.16287	1.6
253.19524	2.1
255.21117	1.6
257.15277	2.0
259.16959	7.8
259.20499	0.8
261.22217	1.6
263.16293	3.0
267.21152	1.7
269.22659	1.7
271.16971	1.5
271.20538	0.7
271.24194	0.6
273.18393	4.0
275.16434	2.1
275.19977	0.6
277.17908	6.6
279.21066	0.9
281.22787	0.9
285.18570	2.2
287.20126	3.1
289.18115	1.0
291.19409	5.5
295.24084	1.0
297.18521	1.2
299.20023	2.2
299.23291	0.7
301.21918	0.8
303.19507	3.7
305.21210	4.3
311.19977	0.7
313.21378	1.3
315.19696	1.1
317.21213	2.4
321.08035	0.9
325.21701	1.5
327.23224	2.0
331.22757	1.2
339.09268	0.6
341.24673	1.5
343.22781	1.8
345.24231	1.8
349.28864	1.4
357.24368	1.4
359.25723	1.2
371.25992	0.9
389.32108	3.6
395.29373	8.9
401.23160	0.7
407.33060	13.9
411.28934	0.8
413.30515	12.0
417.31354	2.5
423.32520	7.4
425.34119	10.7
435.32608	27.9
436.33066	1.2
441.33591	17.6
442.33887	1.0
453.33624	94.0
454.34042	3.6
455.35388	0.8
471.34708	46.6
472.35013	1.5
547.32953	0.8
565.35529	1.1
583.36322	1.9
593.34772	1.3
611.35455	2.9
629.37152	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	827.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	21.0
63.72413	0.9
65.03930	1.4
65.06623	0.7
67.05501	14.1
67.59206	0.7
69.03419	4.5
69.07065	8.3
70.06604	5.1
70.82316	2.5
71.01355	2.8
71.05000	1.3
72.08122	1.0
73.02911	9.9
79.05488	11.1
81.03397	2.2
81.06569	1.9
81.07053	33.6
83.01334	1.2
83.04965	1.2
83.08609	4.4
84.08134	0.9
85.02903	38.6
86.06062	1.5
86.09702	1.9
91.03951	21.1
91.05466	10.4
93.07044	31.2
95.01324	36.0
95.04972	2.4
95.08604	64.1
97.02895	18.7
97.06544	1.9
97.10180	2.8
99.00832	2.4
99.04471	1.5
99.08083	0.9
101.02356	1.2
103.03934	3.8
103.05480	1.1
105.07028	33.1
107.08590	44.2
109.02856	1.6
109.06509	2.3
109.10154	35.7
111.08079	12.7
113.02374	5.2
115.03953	1.7
115.05420	1.3
117.05707	0.8
117.07019	4.4
119.08577	52.5
121.06561	1.0
121.10138	30.0
123.00788	1.9
123.08035	1.1
123.11677	9.9
125.06012	1.0
125.09605	1.6
127.03899	12.5
128.06177	0.8
129.06970	1.7
131.03395	2.7
131.08565	14.6
133.10126	31.9
135.08081	1.2
135.11685	20.1
137.09616	1.1
137.13229	2.9
139.07529	2.4
139.11185	2.6
141.01825	84.9
141.06996	1.0
143.08577	5.7
144.09358	1.2
145.04948	11.0
145.10120	43.5
147.08099	1.1
147.11678	33.4
149.09590	0.9
149.13249	35.1
151.11179	2.0
155.08548	1.1
156.09326	2.3
157.10124	14.1
158.10884	1.7
159.02919	12.2
159.11685	38.9
161.13251	29.9
162.03374	0.9
163.06041	20.2
163.07404	0.9
163.11195	2.0
163.14825	9.9
165.12781	1.7
169.10193	2.9
171.11671	13.0
172.12469	1.9
173.13266	23.4
173.14668	1.7
174.13979	1.2
175.11215	1.5
175.14839	18.3
177.03946	4.6
177.09056	1.0
177.12892	0.9
177.16385	19.4
179.10664	1.9
181.04985	1.8
181.10109	1.0
183.11705	4.7
185.13240	11.6
187.14828	32.2
187.56122	0.8
188.15121	0.9
189.12755	3.8
189.16380	43.7
190.16678	0.9
191.10674	1.0
191.14394	1.1
191.17934	3.3
193.12250	2.0
193.15880	2.0
195.11719	1.2
197.13222	4.9
199.14798	10.7
201.16370	46.1
202.16797	1.1
203.14342	1.4
203.17940	11.7
205.12202	2.2
205.15849	10.7
207.13826	7.7
207.17436	10.3
209.13379	0.9
211.14836	4.7
213.16342	13.4
215.14285	2.3
215.17911	7.0
217.12227	3.2
217.15875	2.7
217.19624	1.9
219.13858	8.6
219.17377	6.3
221.15385	3.9
225.16399	3.4
227.17955	7.8
229.15840	1.6
229.19569	3.3
231.13777	3.5
231.17436	2.5
233.15372	13.0
235.16866	4.7
239.17970	3.0
241.19522	4.5
243.13722	1.1
243.21136	1.7
245.15398	4.1
245.19006	1.2
247.16920	25.6
249.18500	2.2
253.19579	2.9
255.21057	2.1
257.15451	1.5
259.16943	12.8
265.17819	1.2
267.21030	3.5
269.22614	1.3
271.16885	1.8
273.18524	3.5
277.18097	3.1
279.21143	0.9
281.22501	2.2
285.18448	2.1
285.21811	0.8
287.20074	6.2
291.19400	2.0
293.22577	1.1
295.23877	1.2
297.18356	1.5
299.20013	5.1
299.23209	1.0
301.21625	0.8
305.21121	1.7
311.19864	1.2
313.21646	2.9
325.21619	2.2
327.23206	6.3
331.22552	1.2
339.23346	2.3
341.24988	4.5
345.24240	2.3
349.28833	1.8
353.25037	1.0
359.25693	1.2
365.19983	1.1
365.24725	1.5
379.26431	1.6
389.31989	4.5
393.27744	1.9
395.29382	14.7
405.31183	0.9
407.33093	22.1
413.30637	4.5
423.32608	14.4
425.34152	4.5
435.32599	80.0
436.32870	1.1
441.33609	11.7
453.33633	100.0
454.33899	2.4
471.34695	43.4
547.34290	1.0
564.08014	1.0
565.35596	1.3
575.33923	1.2
611.35474	5.3
629.36145	2.8
746.68781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.7
69.03430	4.6
71.04993	0.6
71.60171	0.5
79.05483	0.9
81.03420	6.2
83.06100	13.5
83.06601	0.6
84.04503	0.4
84.08115	0.5
85.02911	3.1
87.04470	0.3
91.05460	0.3
95.04966	0.8
97.02895	4.8
99.04449	2.2
103.03981	0.3
107.04952	100.0
108.05283	1.6
109.02881	4.5
112.94295	0.3
127.03914	21.6
131.04936	3.5
131.55313	0.3
141.06969	0.5
144.05699	0.6
145.04977	1.9
145.06462	0.5
149.05994	0.5
151.03909	0.6
153.05458	2.2
169.06490	0.7
173.05984	3.2
179.03383	0.9
187.07582	0.5
189.05482	0.4
195.06581	0.4
197.05954	2.3
213.09097	0.5
215.07021	4.2
219.06578	0.7
231.06546	0.3
233.08127	0.8
237.07475	1.8
243.06590	2.1
244.06995	0.3
253.05554	0.8
257.07895	0.3
261.07629	3.1
279.08633	13.0
285.07611	0.4
287.09262	0.4
297.09592	1.8
303.08566	1.4
321.10794	0.3
345.09708	0.9
353.29434	0.3
363.10934	0.5
367.12042	0.4
369.09543	0.4
387.10809	1.6
405.11786	0.6
413.12521	1.3
431.13535	2.4
521.14734	0.7
539.15381	0.7
557.16156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	20.4
65.03940	1.0
67.05499	13.6
68.99816	0.9
69.03426	5.7
69.07065	6.1
70.06582	3.9
71.01346	3.1
71.59974	1.8
73.02911	12.0
74.09740	0.8
79.05487	8.0
81.03412	2.6
81.07052	24.4
83.01373	1.2
83.05010	1.6
83.08618	2.9
85.02895	43.3
86.06110	1.0
86.09700	3.4
87.04450	1.5
91.03951	21.8
91.05470	8.6
93.07039	21.9
95.00825	0.7
95.01324	32.7
95.04967	2.3
95.08601	55.1
97.02885	20.3
97.06540	2.7
97.10162	1.9
99.00806	3.4
99.04470	2.4
99.08092	1.1
101.02395	1.8
103.03959	4.6
105.07028	19.2
107.04958	1.3
107.08592	30.6
109.02860	1.4
109.06521	2.0
109.10150	37.0
110.07189	1.0
111.04386	0.9
111.08095	6.6
111.11736	1.1
113.02371	3.9
115.03974	1.1
115.05391	0.9
117.07009	2.6
119.08579	28.2
121.06531	0.9
121.10136	22.5
121.11018	1.1
123.00848	2.3
123.08058	6.0
123.11697	8.4
125.09602	0.9
127.03923	11.4
129.07036	1.0
130.07805	0.9
131.03395	2.1
131.08569	10.4
133.10129	20.9
135.08060	1.8
135.11691	19.1
137.05968	1.1
137.13246	3.4
139.11160	3.7
141.01820	89.4
141.06970	1.4
142.02180	1.1
142.07799	1.7
143.08571	6.6
144.09355	1.2
145.04951	12.8
145.06067	1.3
145.10115	21.0
147.08047	1.6
147.11685	19.8
149.09621	12.3
149.13252	19.3
151.07516	1.8
151.11148	2.0
155.08589	2.0
156.09381	1.8
157.10126	15.6
157.11389	0.5
158.10883	1.3
159.02907	13.3
159.08092	1.7
159.11690	42.6
160.12354	0.8
161.09641	3.4
161.13237	16.3
162.75151	0.9
163.06017	19.6
163.11241	1.8
163.14810	6.2
165.12767	1.1
169.08607	2.4
169.10141	6.8
170.10901	3.1
171.08026	0.8
171.11691	12.7
173.09558	1.4
173.13257	16.2
173.14659	1.2
175.11125	2.3
175.14799	10.9
177.03979	4.3
177.12741	1.5
177.16377	8.3
181.10123	2.0
182.10927	2.0
183.11650	6.1
185.09644	1.4
185.13246	15.6
185.14825	1.1
186.14070	1.4
187.11203	2.4
187.14804	15.2
189.12775	3.7
189.16362	18.1
191.10684	1.1
191.14278	1.6
191.17964	2.6
193.08620	1.6
193.15874	1.5
195.11685	1.7
195.17415	2.6
196.12508	1.2
197.13234	7.5
199.11176	1.2
199.14809	9.9
201.12785	1.9
201.16367	18.2
203.14328	6.1
203.17953	5.9
205.12317	2.4
205.15840	6.3
207.10039	2.0
207.11824	1.3
207.13744	1.2
207.17397	6.2
209.13263	3.5
209.15088	0.8
211.14816	9.1
213.12811	1.0
213.16327	5.8
215.14307	1.9
215.17958	6.4
216.56841	0.8
217.12285	2.6
217.15814	8.1
217.19388	2.0
219.13928	1.1
219.17493	2.8
221.11655	1.7
223.14841	3.9
225.16402	3.9
227.14340	1.0
227.17918	3.0
229.12337	0.9
229.15852	6.6
229.19525	2.9
231.13803	6.7
233.15303	4.1
237.16498	2.1
239.17981	2.2
241.12250	1.2
241.15971	1.0
241.19571	2.9
243.13805	4.7
243.17490	2.1
245.15279	4.0
247.17029	2.4
249.14786	1.5
251.17957	1.8
252.05243	1.2
253.19621	1.7
255.13808	1.2
255.17426	1.4
255.21082	1.3
257.15390	8.4
257.19208	1.8
259.17224	1.0
259.20575	0.9
261.14798	7.4
265.19739	1.3
267.21149	0.8
269.15356	1.7
269.19003	1.3
269.22647	1.4
271.16943	1.6
271.20541	1.0
275.16394	18.1
279.21164	1.6
281.22537	1.6
283.17010	1.4
285.18561	2.0
287.16562	2.5
289.17899	5.0
297.18585	1.4
297.22031	1.0
299.20065	1.4
301.18115	4.3
303.19604	4.9
311.20062	1.3
313.18027	1.9
315.19559	3.9
317.21225	1.0
321.25931	1.2
323.27231	1.6
325.21747	2.2
329.21158	5.3
339.26801	1.6
341.21152	1.5
343.22672	4.6
355.22644	1.9
357.24069	2.1
365.19901	1.0
365.28476	2.1
367.26462	2.0
369.24551	0.8
387.30521	2.2
393.27466	1.9
393.31894	1.9
405.31534	14.2
411.28998	10.0
421.30768	1.6
423.32523	24.9
423.37909	1.7
424.32578	1.5
433.31049	10.6
439.32053	11.4
441.33557	2.0
451.32028	100.0
452.32364	3.2
464.09924	1.1
469.33130	96.4
470.33334	3.1
487.34250	3.2
581.34387	1.7
609.33289	1.6
627.35260	6.8
700.39575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	16.9
67.05505	13.1
69.03407	4.1
69.07063	7.1
70.06600	9.5
70.41330	1.9
70.45891	5.4
71.01355	2.5
73.02915	7.8
74.33645	1.7
78.50283	1.8
79.05490	8.5
81.03400	4.8
81.07070	24.0
82.51533	1.9
83.04994	3.0
83.08600	3.0
85.02906	46.4
86.09692	3.4
91.03967	18.8
91.05473	7.4
93.07043	24.0
95.01328	29.4
95.04958	3.6
95.08608	57.0
97.02901	16.6
97.06493	2.0
99.00827	3.6
99.04461	2.2
103.03933	5.8
105.07032	19.2
107.04963	7.8
107.08595	30.4
108.05245	1.9
109.02859	2.1
109.06498	2.1
109.10155	32.5
111.08079	7.7
113.02372	4.7
115.03931	2.0
116.62690	2.1
117.07073	2.6
119.08582	28.7
121.10138	20.3
123.00819	2.6
123.08094	3.6
123.11694	8.7
127.03905	10.3
131.08585	11.3
133.10135	22.1
135.08075	2.5
135.11711	17.1
137.05959	4.8
137.09566	1.9
137.13219	2.8
141.00722	3.4
141.01825	71.6
142.07826	2.6
143.08563	8.3
145.04964	8.3
145.10124	22.8
147.11694	19.5
149.09599	7.5
149.13257	18.7
157.10120	19.7
159.02914	11.0
159.08002	2.7
159.11684	41.1
161.13269	14.9
163.05991	13.0
163.11087	3.4
163.14848	6.1
169.08698	3.1
169.10112	7.4
170.10971	3.1
171.11690	11.4
173.13277	18.7
175.14832	9.1
177.03989	3.1
177.16402	9.5
183.11653	6.5
185.13310	16.8
187.14896	13.5
189.12801	3.0
189.16391	15.2
193.15973	3.6
197.13242	7.9
199.14789	10.9
201.12817	2.4
201.16376	17.8
203.14264	4.1
203.17946	6.9
205.15942	5.5
207.17441	5.7
209.13240	4.0
211.14784	8.5
213.16383	6.8
215.14346	3.0
215.17941	7.6
217.12292	3.6
217.15909	5.4
219.17438	4.1
223.14819	3.9
227.14319	2.0
227.17841	2.7
229.15929	5.1
229.19513	4.5
231.13814	3.9
233.15486	3.1
237.16431	2.8
239.17934	3.2
243.13829	3.1
245.15454	4.8
257.15363	8.1
261.14838	4.8
263.16498	2.2
275.16425	17.8
283.16910	2.8
285.18420	3.2
287.16388	3.2
289.18039	4.9
293.22397	2.2
301.17972	3.1
303.19574	4.5
315.19641	3.6
325.21548	2.4
329.21103	3.9
343.22815	2.2
367.26376	2.7
393.27557	4.5
405.31555	11.3
409.27618	2.7
411.28815	9.1
423.32581	23.7
433.31039	17.9
439.32080	8.6
441.33600	2.6
451.32086	100.0
452.33145	3.0
469.26468	4.3
469.33151	89.8
470.33365	2.6
487.34338	4.2
609.33423	2.6
627.35498	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	825.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	23.1
65.03922	0.9
67.05508	11.5
67.86268	0.9
69.03435	5.6
69.07072	6.7
69.18264	0.9
71.01349	2.9
71.05187	1.6
73.02916	11.8
79.05495	8.5
81.03411	2.5
81.07055	28.8
83.04982	1.8
83.08614	3.0
85.02905	48.7
86.62283	0.9
87.04446	0.8
91.03954	23.6
91.05476	10.8
93.07048	28.1
95.01328	35.9
95.04980	1.6
95.08604	57.9
97.02890	25.4
97.06527	2.8
97.10194	2.0
99.00824	3.3
99.04442	1.7
99.08087	1.4
101.02396	2.3
102.48051	0.9
103.03947	5.0
105.07028	25.1
107.08595	35.9
109.02870	1.3
109.06522	2.9
109.10159	32.6
111.08080	10.6
113.02342	4.3
115.03904	0.9
117.07009	2.1
119.08579	32.6
121.06471	0.9
121.10137	30.3
121.11023	1.5
123.00789	1.6
123.08078	8.3
123.11704	8.9
125.09631	2.0
127.03916	13.9
129.06985	1.7
130.07819	1.4
131.03424	2.3
131.08562	10.3
133.10129	32.2
135.08072	2.8
135.11697	21.5
137.09561	1.8
137.13219	2.9
139.11180	2.2
141.01830	96.1
142.07701	1.0
143.08554	6.3
144.09326	2.4
145.04970	14.4
145.10115	23.2
147.08012	1.7
147.11691	23.8
149.09637	3.2
149.13258	27.1
151.07587	1.3
151.11186	2.6
153.12811	1.1
155.08527	1.7
156.09364	3.0
157.10121	14.4
159.02873	14.6
159.11690	35.9
159.13019	1.8
161.09615	6.4
161.13258	26.5
163.06018	28.9
163.11131	1.9
163.14815	12.1
165.12737	1.8
167.08582	1.0
169.08609	2.9
169.10146	7.6
170.10919	3.7
171.11685	18.8
173.09648	2.8
173.13263	23.2
175.11285	2.3
175.14815	19.8
177.03923	3.7
177.12782	2.6
177.16385	17.1
179.10693	2.0
183.11699	8.2
185.13271	16.7
187.11215	2.5
187.14824	12.5
189.12758	6.1
189.16376	17.5
189.18069	1.1
191.14323	1.6
191.17964	3.7
193.08636	2.2
193.15883	2.3
195.10147	1.2
195.11707	2.2
195.17383	1.4
197.13330	5.3
199.14807	13.6
201.12799	2.5
201.16370	17.0
203.10725	1.9
203.14301	11.9
203.17964	13.4
205.12315	2.3
205.15805	6.0
207.10155	4.4
207.13754	1.1
207.17455	9.8
209.13309	2.8
211.14847	7.8
213.16402	5.4
215.14282	2.9
215.17946	13.2
217.12299	3.1
217.15862	8.7
217.19511	2.7
219.13800	4.0
219.17436	3.8
221.13455	1.8
221.19046	3.2
223.13011	1.5
223.14926	2.3
225.16357	2.6
227.14120	1.1
227.17982	2.5
229.12233	1.8
229.15948	1.8
229.19513	2.4
231.13788	6.1
231.17490	1.5
233.15402	4.8
233.18950	6.9
235.13266	3.0
237.16408	3.0
239.17995	2.9
241.19412	2.5
243.13824	3.7
243.17580	1.8
243.21130	1.6
245.15379	6.4
247.16977	3.7
249.14661	5.1
251.18063	1.8
253.15665	0.9
253.19588	1.1
255.17261	1.2
255.21088	2.1
257.15366	5.4
261.14810	4.4
263.16287	4.6
267.21133	1.1
269.22552	1.6
271.16946	4.0
275.16409	16.7
283.16919	2.9
283.20404	0.9
285.18521	2.5
287.16385	2.0
289.17972	7.5
293.22580	1.1
295.17038	1.5
297.18542	2.0
301.17938	3.1
303.19556	6.9
313.17972	1.3
315.19724	3.1
321.08035	1.0
325.21786	2.1
329.21127	1.7
339.23392	1.2
341.21024	1.2
343.22650	3.0
355.22733	0.9
357.24371	2.9
365.19699	2.1
379.20871	1.2
387.30634	1.7
393.27917	2.8
405.31665	4.6
411.28955	21.3
415.37418	1.0
421.31021	2.4
423.32724	5.5
433.31033	16.9
439.32098	29.9
440.32471	1.2
441.33301	1.2
451.32086	97.0
452.32504	2.6
453.33521	1.3
469.33154	100.0
470.33606	1.9
479.22949	1.0
609.34192	3.3
627.35168	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	825.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	15.4
65.03911	1.4
67.05500	11.4
68.08799	0.9
68.99752	0.9
69.03439	3.5
69.07077	6.3
69.07413	1.3
70.06539	2.3
71.01332	1.7
71.42412	1.1
71.42769	1.0
73.02917	10.6
79.05495	8.8
81.03383	1.7
81.07056	23.1
83.01306	1.1
83.04933	2.0
83.08562	2.8
84.08084	1.8
85.02902	36.5
86.09652	0.7
91.03954	19.7
91.05470	10.8
93.07041	22.4
95.01329	25.5
95.04925	2.1
95.08606	45.1
97.02892	16.8
97.06484	0.9
97.10114	1.9
99.00751	3.2
99.04437	1.5
101.02350	1.6
103.03943	3.5
103.05466	0.8
105.07029	24.3
107.08597	25.4
109.02811	0.9
109.06476	1.5
109.10153	32.1
110.09670	0.8
110.10401	0.7
111.04415	1.1
111.08082	4.4
111.11658	0.7
112.26504	0.7
113.02354	4.2
115.03853	1.1
117.06978	4.3
119.04945	1.1
119.08585	24.9
121.06482	1.0
121.09336	1.4
121.10134	18.8
123.08015	1.0
123.11700	6.6
127.03909	8.8
128.06206	0.8
128.09889	0.7
129.06946	2.7
131.03337	2.8
131.07605	0.9
131.08560	16.0
133.10129	20.3
135.07973	1.0
135.11696	15.5
137.05981	1.2
137.13187	2.5
139.07526	0.9
139.11140	2.4
139.66513	0.7
141.01823	76.7
142.07736	2.1
143.07509	0.7
143.08559	9.5
144.09280	0.9
145.04953	10.1
145.06067	1.1
145.06526	0.9
145.09068	1.3
145.10121	20.4
147.04337	2.4
147.10658	1.0
147.11694	14.5
149.05933	3.0
149.13263	22.3
151.07507	1.4
151.11095	1.0
155.08524	3.0
155.27167	0.8
156.09219	1.6
157.08955	1.0
157.10136	12.1
159.01700	1.0
159.02890	13.4
159.10468	1.5
159.11694	21.1
161.13252	12.5
163.04749	1.0
163.06023	17.4
163.07385	1.5
163.11134	1.6
163.14822	5.2
165.09077	0.8
165.12778	0.8
169.10176	3.9
170.10860	2.1
170.48166	0.7
171.08031	0.8
171.11665	9.1
173.09485	0.8
173.13261	10.0
175.11147	1.5
175.14822	8.8
177.03986	3.5
177.09074	1.6
177.12756	1.2
177.16354	7.6
179.14308	1.5
181.09972	1.1
183.11665	4.9
185.13237	11.2
187.14781	9.2
189.09100	1.4
189.12659	1.5
189.16371	21.3
191.10585	2.1
191.17891	1.2
193.15829	1.1
195.11626	1.8
195.17393	1.3
196.12462	0.9
197.13237	3.4
199.14792	10.2
201.09061	0.8
201.12727	1.5
201.16380	16.0
202.16708	0.7
203.10692	1.7
203.14247	2.5
203.17896	3.1
204.10120	1.3
205.12186	3.3
205.15787	4.5
207.11752	0.9
207.13995	0.8
207.17456	8.2
209.13243	2.3
211.14781	4.7
213.12782	1.8
213.16304	4.5
215.10577	0.9
215.14487	1.5
215.17911	5.2
217.12183	2.3
217.15851	4.3
217.19351	1.0
219.13725	2.5
219.17398	2.1
220.02750	2.0
221.13322	1.1
223.13060	1.5
223.14931	1.7
225.16344	2.5
227.14072	1.5
227.18001	3.4
229.15793	1.8
229.19550	1.7
231.13803	6.0
233.15286	2.1
235.13295	2.2
238.03824	1.5
239.14313	1.6
239.17964	2.3
241.19527	1.1
243.13820	1.0
245.15398	5.9
247.13322	0.9
247.16890	1.2
249.14752	3.4
253.19624	1.0
255.17462	1.0
255.21094	1.4
256.04880	1.1
257.15311	2.9
260.05695	0.9
261.14688	1.6
263.16394	7.5
267.21033	1.5
269.18845	0.9
273.14899	2.2
275.16412	24.3
282.06512	0.8
285.22156	0.9
285.32614	0.7
287.16336	4.2
289.17993	8.7
299.16473	1.6
299.19958	1.2
301.17938	7.5
303.19479	7.1
313.17920	2.5
315.19586	6.1
317.21179	2.4
329.21182	5.6
331.13293	0.9
341.21024	1.8
343.22610	4.5
355.22659	3.1
357.24240	2.8
364.46902	0.7
365.28824	0.8
367.22614	1.0
381.24365	1.0
387.30527	1.9
393.31973	0.8
395.25635	0.8
405.11801	0.8
405.31528	8.1
411.28964	14.3
421.31024	1.1
423.12225	2.2
423.32568	5.2
433.31015	4.3
439.32111	17.7
440.32462	1.1
441.13226	0.9
451.32074	100.0
452.32458	4.6
469.33163	90.1
470.33609	3.2
487.34146	5.5
511.18930	0.7
609.34412	2.0
627.34985	5.9
679.28491	0.8
707.60248	0.8
825.32428	41.0
826.32550	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79947	3.3
65.03924	5.2
67.05508	81.9
69.03427	4.9
69.07064	32.8
69.26619	2.4
71.04993	3.2
79.05490	61.9
81.03408	9.0
81.07058	90.3
83.04984	7.4
83.08617	18.3
85.02900	5.2
85.06539	4.4
89.96053	2.7
91.05479	53.3
93.07040	82.6
95.04970	16.4
95.08037	5.4
95.08607	60.9
97.02866	7.6
97.06526	9.4
97.10153	3.1
99.08125	2.9
105.07048	41.2
107.08596	38.0
109.06524	8.3
109.10155	22.2
111.08067	4.9
115.68793	2.5
117.07008	22.0
119.08562	29.7
121.10136	29.1
123.08081	6.0
123.11720	4.8
129.06992	6.6
131.08572	25.9
133.10139	24.5
135.08035	3.9
135.11713	19.7
137.09637	2.9
139.37787	2.6
141.07138	2.7
143.08568	9.7
145.10136	20.2
147.11726	14.0
149.13257	4.3
157.10114	8.9
159.11717	15.2
161.13312	4.2
171.11745	4.8
173.13264	9.6
181.09981	2.9
181.90996	2.8
185.13202	4.9
187.14772	4.8
197.13347	3.4
199.14789	5.2
217.15950	3.5
219.17572	3.5
229.14247	5.2
235.16920	3.0
237.16393	3.7
242.27939	2.8
257.19101	5.0
261.22211	6.3
269.17505	16.1
275.20059	22.4
292.44617	2.9
299.26123	3.0
309.20682	7.4
333.24219	2.9
335.25784	100.0
349.23660	17.2
475.23901	2.7
489.35468	3.9
515.37292	7.7
529.38837	34.0
530.38867	2.9
569.41760	23.2
609.45105	22.0
627.46289	4.5
654.19385	3.3
748.98151	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.6
67.05487	1.5
69.03425	2.0
69.39696	1.2
69.40099	2.8
70.06576	1.3
75.04482	2.5
77.03926	0.7
78.04694	2.1
79.05487	4.2
81.03397	1.8
81.07034	0.5
82.04205	0.5
85.02902	6.0
89.03926	1.0
90.10944	0.5
91.05475	9.2
93.03410	6.8
93.07030	4.8
95.04977	5.6
97.02893	1.1
97.06519	2.5
102.04675	0.8
103.04779	1.0
103.05464	16.0
105.03391	1.7
105.04526	0.8
105.07024	5.8
106.04170	17.3
107.04948	8.8
108.02036	0.5
109.02840	0.6
109.06499	1.4
109.10149	0.5
110.03634	1.5
111.04431	1.3
115.05435	4.2
116.06227	0.8
117.03372	1.1
117.07021	4.2
118.04155	3.0
119.04928	2.1
119.08537	0.6
121.06506	19.0
122.07284	0.5
123.04411	4.5
123.08008	0.6
124.05201	2.7
125.05986	6.7
126.45769	0.4
127.03889	0.9
128.06157	0.7
129.07013	1.4
130.04123	1.2
131.04016	0.9
131.04932	16.4
131.05927	1.0
131.08572	0.9
132.05725	1.5
133.02867	1.4
133.06479	6.7
134.03665	2.6
135.04417	1.6
135.08052	2.1
137.05956	4.9
138.03127	0.6
138.06822	0.7
139.07533	1.8
139.08514	0.5
141.06938	0.8
142.02614	1.3
143.04944	0.9
144.05649	1.0
145.02823	1.6
145.06499	5.1
146.07285	0.5
147.04419	1.0
147.08104	2.2
148.05177	10.2
149.05974	27.7
151.03889	2.0
151.07542	2.2
152.04666	1.0
152.08284	0.6
153.05452	3.4
153.09088	6.7
157.06468	1.4
159.04379	0.5
159.08032	2.0
160.05185	1.1
161.05986	8.6
162.07623	1.2
163.03896	1.9
163.07530	15.9
164.28506	0.5
165.05441	1.3
165.06906	0.5
165.09108	0.8
166.06268	1.3
167.07039	41.1
171.06575	2.7
173.05974	4.4
174.06761	0.7
175.07498	2.7
176.04677	1.3
177.05458	20.4
177.09042	0.6
179.07057	1.1
179.08524	0.5
181.04953	50.6
181.08548	18.1
181.10194	0.9
185.05981	0.6
187.07550	2.0
189.09148	0.8
190.06174	0.8
191.07021	58.6
192.07680	1.2
193.05002	0.9
193.08630	3.8
195.06537	2.5
197.08090	0.6
201.05424	1.5
201.09058	0.5
203.06975	2.1
205.08592	3.3
207.06454	0.9
207.08253	0.7
207.10141	1.8
209.08080	100.0
210.08517	1.0
211.79204	0.5
213.20695	0.5
217.08575	2.0
219.08215	0.9
219.10162	3.3
221.06090	0.6
221.08076	0.9
225.07547	0.8
233.08026	4.0
234.06851	0.5
235.07596	0.8
235.09644	4.1
240.12465	1.2
245.08047	1.4
247.07333	0.8
249.09219	0.7
251.07066	1.0
263.06970	0.7
263.09140	16.5
264.07648	0.8
267.10263	2.0
267.71631	0.5
279.10309	0.9
281.08118	0.6
293.08136	0.6
294.08716	0.5
295.09369	1.0
297.11301	1.2
299.09082	0.7
303.06744	0.5
307.09534	0.8
325.10657	1.9
327.12228	0.7
337.10562	0.5
339.12225	0.8
355.11917	0.6
357.13412	3.2
359.14987	0.7
367.11658	1.1
369.13248	1.0
378.60339	0.5
385.12820	7.6
387.14090	1.4
399.14252	2.5
417.09988	0.9
417.15421	14.7
609.23120	1.2
626.21771	0.9
644.22211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	13.0
60.29872	12.7
67.05502	83.8
69.03420	17.0
69.07053	43.5
69.59450	29.7
69.59881	58.4
70.27595	11.3
70.84516	9.8
71.04996	11.8
79.05476	50.1
81.07038	48.0
83.08617	16.9
89.66076	10.3
91.05470	32.8
93.07028	55.5
95.08588	39.5
95.12159	11.5
97.10151	13.9
98.20652	19.8
100.85648	10.4
105.07021	19.6
107.08570	24.5
109.10156	14.1
119.08574	21.2
120.74219	10.7
121.10081	12.6
127.03944	12.9
147.11688	16.0
155.46036	12.5
168.39526	11.9
182.75061	14.0
184.67706	10.9
223.13370	24.9
273.18384	14.7
291.19531	100.0
292.39777	11.1
335.25854	85.5
352.01727	16.5
364.04193	15.6
365.23215	49.9
488.87473	12.0
625.44415	64.5
701.94507	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	821.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	18.3
57.16753	1.1
61.02926	76.8
65.03946	3.3
67.05504	30.3
69.03429	28.9
69.07068	5.9
71.01344	2.9
71.04995	5.8
71.60273	1.1
71.64976	1.0
73.02916	20.9
75.04478	1.4
79.05495	18.8
81.03419	23.0
81.07054	29.8
83.01357	1.3
83.04991	3.9
83.08613	3.7
85.02905	100.0
87.04478	3.5
91.03955	56.7
91.05476	14.2
93.07046	23.3
95.04972	4.7
95.08604	25.5
97.02892	72.9
97.06532	2.5
97.10168	2.2
99.04456	11.3
101.02377	5.8
103.03944	9.9
105.07027	10.9
107.08600	12.9
109.02883	13.2
109.06509	2.7
109.10155	10.8
111.04459	3.8
111.08102	1.7
115.03903	7.4
117.05537	3.2
117.07013	4.8
119.08584	9.6
121.10133	11.9
123.11715	4.2
127.03911	40.1
129.05487	4.7
129.06981	3.9
131.08543	8.4
133.10136	8.3
135.11697	8.0
137.06026	1.8
137.13220	1.6
143.08543	1.8
145.04956	35.1
145.10101	9.8
147.11700	6.5
149.13280	5.4
151.11165	1.4
157.10146	3.4
159.06520	2.1
159.11688	6.9
161.13245	4.9
163.06027	18.2
163.14786	1.9
165.12695	1.3
169.99144	1.1
171.06540	1.9
171.11641	1.8
173.13278	6.0
175.14870	3.4
177.16386	1.6
183.06525	8.3
183.11725	2.0
187.11163	1.2
187.14825	3.5
189.12682	1.8
201.07553	6.9
241.19421	1.2
243.21065	6.6
259.20602	3.6
261.22156	20.0
273.22208	1.5
277.21634	1.9
279.23178	1.5
289.21643	1.9
303.23337	2.0
315.23334	2.2
317.24377	1.8
327.23300	1.9
335.25812	61.4
341.24899	1.6
345.24396	2.2
351.23038	2.6
363.25415	3.6
369.24335	4.2
377.26877	3.3
387.25290	3.3
405.26675	2.5
419.27820	3.5
443.27881	6.7
447.63733	1.4
461.28903	4.3
479.30051	9.8
497.31039	2.6
513.16467	1.3
652.59442	1.3
657.96716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.7
61.02914	2.1
67.05487	3.2
69.03420	10.6
69.07075	9.2
70.66596	4.7
71.04988	2.1
79.05484	6.4
81.03420	15.6
81.07063	13.2
83.08595	2.9
85.02426	2.2
85.02911	32.9
87.00807	12.6
91.05477	4.2
93.07053	16.4
95.08601	14.7
97.02898	20.1
97.10187	1.9
98.20908	2.0
99.04445	5.8
105.01864	20.0
105.07025	12.7
107.04940	3.8
107.08596	12.1
109.02876	23.8
109.10146	7.8
111.11710	6.9
119.08592	12.9
120.08134	1.8
121.09312	2.8
121.10146	47.3
123.11701	6.1
127.03925	34.7
131.08517	2.6
133.10123	12.2
135.11665	12.3
145.04968	7.0
145.10118	4.5
147.11685	12.7
149.13187	8.3
151.11166	4.3
159.02876	6.3
159.11713	5.0
161.13225	5.8
163.14813	5.2
165.12788	2.1
173.13228	6.5
175.14777	4.9
185.13425	1.7
187.14793	6.4
189.03952	2.8
201.16383	2.8
213.03992	7.4
231.05045	13.3
232.87561	1.5
243.21083	100.0
244.21394	2.4
245.22665	10.5
249.06068	6.3
261.22147	29.8
273.06067	5.1
289.21619	54.5
307.22607	6.4
461.09247	1.9
509.27261	3.9
519.26233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43401	0.8
69.03408	2.0
70.06580	1.7
71.60242	0.8
75.28516	0.8
76.46442	0.8
79.05484	1.0
81.03403	1.4
81.07072	1.4
85.02892	2.3
91.05478	1.4
94.06542	1.3
97.02891	2.0
105.07062	1.0
105.21622	0.8
107.04935	2.5
120.08088	1.0
135.79958	0.8
136.07620	1.5
180.06738	0.9
183.09157	1.1
195.09253	2.2
196.10023	2.2
197.10768	7.6
199.08603	1.0
209.07080	1.5
209.10620	1.3
211.08672	2.8
211.12222	1.5
212.09062	2.5
212.10992	12.1
213.10217	4.3
223.08661	3.9
223.12300	1.8
224.09525	2.9
225.10234	37.4
226.11070	1.9
227.11757	12.1
237.06546	1.1
237.10248	3.6
238.07407	1.8
238.10959	1.4
239.08192	1.0
239.11771	10.4
240.12579	100.0
241.09747	10.0
241.13336	29.2
243.04713	0.9
243.14934	1.5
251.08177	3.9
251.11865	1.2
252.08987	1.2
253.05975	1.7
253.09686	3.5
254.10493	8.0
255.11252	3.0
257.12799	1.0
259.14462	4.7
265.09729	6.9
266.06912	1.0
266.10559	2.0
267.07803	4.9
267.11279	24.3
268.09540	0.9
269.12802	1.8
271.10739	7.4
277.09796	1.3
279.07620	3.3
279.14850	1.0
280.08527	1.3
281.09229	1.1
283.10779	1.2
284.11575	4.7
285.10501	1.6
285.12521	10.6
287.14029	2.1
293.09167	5.1
293.12354	1.0
294.06644	2.0
294.09946	7.7
295.10745	4.2
297.08661	1.5
305.11752	1.6
307.07260	7.9
311.10223	2.1
321.08688	3.3
323.10172	2.7
325.11484	1.1
339.09781	47.6
340.10309	1.2
346.03757	0.8
349.08093	1.5
367.09262	29.1
385.10297	12.5
399.11774	2.3
445.19540	1.2
539.18921	1.6
579.21588	1.0
597.22968	1.4
607.21851	27.1
609.23535	2.0
625.22888	18.8
626.23151	2.9
627.24280	0.9
639.24548	44.6
657.25549	26.7
664.24304	3.0
679.68030	1.0
696.27039	4.3
715.63800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4904
Annotation	Glabrin C
Peak:m/z	Relative Intensity
57.36562	1.4
70.66251	2.7
71.91813	1.4
95.20430	1.3
112.27731	1.8
151.09814	2.0
159.54671	1.3
163.87491	1.3
179.25656	1.4
318.59659	1.4
320.64471	1.7
321.95407	1.5
389.37241	1.6
570.59839	1.6
691.89417	1.5
692.04926	1.6
813.49170	100.0
814.49640	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	817.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.6
63.02389	0.4
65.03926	1.1
69.57816	2.1
72.08132	1.0
73.70117	0.3
84.08140	5.1
88.24777	0.3
89.03915	3.3
91.05479	8.8
94.85128	0.3
98.09672	0.5
98.20737	0.5
101.70216	0.3
110.09694	1.5
112.11243	15.5
113.07082	0.4
117.03371	7.5
119.04940	22.5
129.13873	12.6
134.03600	0.4
135.04382	0.5
137.10760	0.3
145.02844	23.7
147.04404	100.0
148.04695	1.0
149.05991	2.6
155.11792	3.0
162.03061	0.4
166.99763	0.3
177.05464	40.8
178.05714	0.5
186.05457	0.6
203.11783	7.7
204.10196	76.0
205.10571	0.7
218.11925	1.5
233.12860	3.4
234.11241	29.6
235.11603	0.4
275.17523	25.5
292.20322	0.4
305.18564	9.4
305.64310	0.3
349.26053	1.3
375.24060	0.4
421.21057	0.9
451.22202	0.8
477.28931	1.0
478.27106	3.3
495.29657	2.2
507.29181	1.6
508.28204	2.5
521.27625	0.6
525.30725	2.4
551.27814	0.5
606.29126	0.3
623.32379	4.7
624.31396	0.4
641.33313	23.3
642.33624	0.9
653.33337	14.3
654.32391	1.2
671.34357	84.8
672.34735	2.4
817.38239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.5
57.07057	3.2
61.02638	1.8
61.02928	27.1
63.05323	1.1
66.91741	1.0
67.05176	1.3
67.05505	16.3
68.99802	1.4
69.03419	4.1
69.07069	16.6
70.06580	3.7
70.12199	6.2
71.01348	2.1
73.02915	15.1
75.04473	1.4
79.05494	11.4
81.03415	1.7
81.06575	2.0
81.07057	39.4
83.04971	2.8
83.08616	7.7
84.08149	2.1
85.02903	51.6
85.06545	1.4
86.09650	1.5
88.48540	1.3
91.03958	31.5
91.05474	12.7
93.07040	30.1
95.01328	36.9
95.04949	3.0
95.08607	77.5
96.01640	1.3
96.08926	2.4
97.02897	24.0
97.06517	1.4
97.10172	5.2
99.00811	3.1
99.04437	1.9
99.08054	2.1
101.02361	2.0
101.97683	1.1
103.03944	4.6
105.07023	30.1
107.07864	2.4
107.08593	47.0
109.06506	1.9
109.10158	52.4
111.08086	17.1
111.11742	2.0
113.02364	5.7
113.09616	1.3
115.03944	2.2
115.05434	1.4
117.07002	2.4
119.04930	1.3
119.08584	38.2
121.06471	1.8
121.10140	42.5
123.11717	18.8
125.09589	3.3
127.03905	16.4
129.06987	1.3
131.03362	2.7
131.08575	10.8
133.10129	31.8
135.11696	34.4
137.05989	1.4
137.09619	1.8
137.13223	6.5
139.11195	7.2
141.01826	100.0
141.37750	1.1
142.02164	1.3
143.08502	5.8
145.04951	15.3
145.10118	29.3
147.04405	5.7
147.11688	29.5
149.04559	1.1
149.12163	2.3
149.13257	28.6
151.11168	3.7
151.14861	1.7
155.08557	1.7
156.09352	2.1
157.10114	9.5
159.02896	16.1
159.11699	29.7
160.12277	1.4
161.09648	2.5
161.13260	26.3
163.03926	2.6
163.06020	34.0
163.11162	2.8
163.14813	12.9
165.12695	3.1
167.14339	2.2
169.10112	3.2
171.11708	7.5
173.13278	18.0
175.11205	1.4
175.14832	21.4
177.03969	5.5
177.12779	3.2
177.16394	13.8
179.14334	2.4
183.11676	2.9
185.13258	6.7
187.14806	15.6
189.12700	1.3
189.16386	23.4
191.14304	2.7
191.17950	10.3
193.15843	6.9
195.17517	6.9
197.13251	3.9
199.14845	8.8
201.16400	27.7
203.14297	2.3
203.17963	20.1
205.15898	9.0
207.17487	9.3
209.13293	1.5
213.16434	9.0
215.14496	1.2
215.17963	24.8
217.15840	4.8
217.19519	7.4
219.17462	13.4
221.19078	1.6
223.14926	1.7
225.16499	2.2
227.17970	9.9
229.19516	5.3
231.17441	6.4
231.20621	1.3
233.18974	14.9
237.18536	1.7
239.17995	4.4
241.19518	6.4
243.17525	1.7
243.21106	5.4
245.19048	8.4
249.18488	3.1
253.19521	3.4
255.21118	8.1
257.19067	3.3
257.22687	2.9
259.20605	3.2
263.19998	7.5
265.19501	1.5
267.21002	4.2
269.22702	3.1
271.20609	5.0
271.23529	1.3
273.22134	4.8
281.22644	3.8
283.20538	3.4
283.24039	2.7
285.22168	3.3
289.21558	1.7
291.23148	3.7
293.22620	1.9
299.23651	2.7
311.23651	2.5
313.25311	2.7
317.24576	1.5
327.26736	2.6
329.28479	1.5
331.26215	3.9
345.28030	1.5
351.17966	1.5
363.30426	5.5
379.29538	1.7
381.31494	11.7
397.30936	1.7
399.32614	7.0
403.33667	8.9
409.34534	7.1
411.36041	2.8
421.34613	66.0
422.34604	2.2
427.35602	2.9
438.34531	2.1
439.35669	96.4
440.36105	2.3
456.35480	1.6
457.36786	72.3
458.37021	1.8
579.36652	5.1
597.37842	7.8
615.38879	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	813.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.4
57.03437	3.2
57.07070	2.4
58.20638	0.4
60.26537	0.4
61.02924	22.0
65.03936	1.2
67.05501	18.2
68.97417	0.4
68.99795	0.6
69.03424	4.9
69.07065	10.5
70.06573	1.6
70.62571	1.4
71.01357	2.6
71.04983	1.4
71.08629	0.8
73.02914	12.0
74.06046	0.6
79.05483	12.6
81.03409	2.5
81.07052	45.9
82.07423	0.5
83.01327	0.9
83.04974	1.5
83.08611	6.4
85.02899	49.2
85.06528	0.5
85.23395	0.4
86.09713	0.7
91.03951	24.8
91.05471	13.4
93.07041	35.0
95.01324	35.8
95.04976	2.3
95.08600	79.1
96.08965	0.7
97.02886	21.7
97.06525	12.5
97.10169	3.3
98.06798	0.5
99.00814	3.6
99.04449	1.9
99.08110	1.3
101.02374	2.4
103.03935	4.4
103.05473	1.3
105.07025	43.3
107.08588	50.4
109.02873	1.5
109.06511	2.3
109.10150	51.3
111.08076	12.7
111.08833	0.7
111.11721	1.9
113.02357	5.7
113.09670	0.5
115.03933	1.3
115.05418	0.5
117.06998	4.8
119.08575	54.0
120.08119	0.9
121.06507	0.8
121.10133	34.9
122.10477	0.6
123.00811	0.9
123.08058	1.4
123.11701	15.9
125.09612	3.1
127.03910	13.8
128.06184	0.9
129.06941	2.3
130.07767	1.1
131.03392	3.2
131.07561	0.8
131.08559	14.7
133.10121	37.6
135.08067	1.0
135.11687	25.1
137.05991	0.4
137.09621	1.7
137.13239	3.8
139.03912	0.8
139.11179	3.4
141.01817	100.0
142.02159	0.8
142.07797	1.3
143.08562	6.2
144.09291	1.3
145.04955	14.3
145.06149	0.7
145.10115	32.0
146.10690	0.6
147.11678	36.8
149.13248	50.5
151.11165	3.2
151.14856	1.1
153.12761	0.6
155.08565	1.6
156.09364	1.3
157.10120	10.3
157.70995	0.4
158.10912	1.4
159.02888	15.6
159.11684	35.5
160.12416	0.7
161.13251	32.9
162.13589	0.5
163.06006	25.0
163.11134	1.6
163.14810	12.6
165.12723	3.0
165.16234	0.5
168.09296	0.5
169.10106	3.3
171.11688	9.5
172.12350	0.9
173.10986	0.5
173.13254	20.8
175.14818	22.2
177.03935	5.1
177.12802	2.5
177.16370	15.3
179.14262	3.4
179.17935	1.3
181.07126	0.5
182.10921	0.5
183.11659	4.2
184.12436	0.6
185.13245	8.4
186.14038	1.1
187.14821	16.4
189.12813	2.0
189.16373	35.8
190.16721	0.6
191.14304	2.6
191.17938	7.1
193.12115	0.4
193.15878	10.1
195.11728	0.9
195.17453	3.2
196.12477	0.6
197.13269	3.6
199.14809	9.6
200.15533	0.7
201.16371	21.7
203.14317	3.4
203.17950	16.6
205.15868	23.3
205.19258	2.4
206.16248	0.6
207.17426	25.2
209.13271	1.0
210.14110	0.4
211.14835	3.4
213.16359	10.5
215.17944	21.0
216.18239	0.6
217.15926	5.8
217.19490	9.2
219.17433	12.2
221.15376	1.5
221.18938	4.5
223.14815	1.1
223.16914	0.7
225.16351	3.1
227.17932	7.6
229.15884	1.2
229.19475	3.8
231.17409	8.2
231.21092	1.6
232.54498	0.5
233.19000	20.8
235.16887	1.0
235.20573	2.0
237.16341	0.9
237.18513	0.9
239.17914	2.5
241.19492	2.8
243.17397	3.7
243.20959	2.1
245.18987	12.1
247.20569	1.9
249.18530	2.6
251.18031	1.0
253.19592	2.6
255.21109	3.7
257.19040	1.8
257.22589	0.9
259.20560	4.4
261.18417	0.7
261.21973	0.8
263.20004	2.0
265.19531	0.6
267.21051	3.4
269.22629	1.9
271.20554	3.2
271.23392	0.5
273.22180	4.2
277.21826	0.5
279.20981	0.8
281.22568	1.4
283.20667	0.9
283.24069	0.5
285.06073	0.5
285.22110	5.3
285.25400	0.9
287.23749	1.5
293.22675	1.0
295.24252	2.6
297.22272	0.8
297.25699	0.6
299.23572	3.0
307.24219	0.7
309.25793	0.5
311.23642	1.3
311.27029	0.5
313.25214	4.5
321.08313	1.0
321.25812	0.6
323.27408	0.7
325.25339	0.7
327.26852	1.7
329.24765	0.9
329.28201	0.8
331.26288	0.9
339.26862	0.9
341.28375	0.6
351.17966	0.6
351.26822	0.6
361.28940	0.7
363.30399	4.2
365.19580	2.1
379.29947	0.9
381.31506	11.7
391.33463	1.4
393.35120	0.7
399.32526	3.4
402.83588	0.5
403.33502	7.4
409.34579	9.5
411.36505	0.4
419.33264	0.5
421.34619	57.8
422.34760	2.1
427.35809	3.8
433.34161	0.4
439.35687	77.7
440.36087	3.4
457.36740	40.7
458.37061	1.8
503.22482	0.4
579.36816	4.6
597.37793	7.7
615.38684	5.3
633.39966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
57.05567	2.6
57.07076	3.0
61.02933	18.6
67.05497	19.3
69.03435	3.8
69.07072	12.8
69.50351	17.1
70.06585	3.1
73.02902	9.6
79.05485	14.6
81.03395	3.2
81.07059	40.8
83.08602	5.8
85.02901	41.8
91.03946	16.7
91.05493	14.8
93.07050	39.1
95.01328	34.2
95.08606	70.2
97.02886	17.9
97.06533	14.2
97.10180	3.8
99.00799	3.4
105.07027	41.6
107.08593	42.3
109.06498	3.7
109.10157	44.7
111.08091	14.6
111.11698	2.5
113.02371	4.1
117.07012	4.1
119.08577	44.5
121.10144	38.5
123.11739	12.5
125.09635	3.5
127.03904	16.3
131.03391	3.7
131.08591	12.2
133.10130	33.7
135.11708	21.4
137.13278	2.9
141.01828	99.3
143.08551	5.4
144.09225	2.5
145.04974	10.2
145.10126	31.3
147.11682	33.6
149.13252	48.0
149.14352	3.6
151.11145	2.3
157.10124	8.5
159.02873	16.7
159.11684	38.2
161.13269	27.1
163.06018	22.0
163.14796	12.9
165.12827	2.9
169.10216	3.5
171.11668	7.9
173.13225	18.8
175.14815	20.8
177.03926	4.5
177.16389	13.0
179.14400	3.3
183.11687	3.1
185.13243	9.3
187.14801	16.8
189.16367	34.0
191.17967	7.3
193.15915	9.2
195.17422	4.3
197.13324	3.0
199.14824	10.5
201.16382	23.9
203.14334	2.5
203.17915	20.4
205.15889	23.0
207.17424	22.7
211.14931	3.7
213.16382	10.0
215.17934	18.5
217.15813	4.0
217.19540	9.5
219.17462	10.0
221.19025	2.7
225.16397	3.7
227.17955	8.7
229.19475	4.2
231.17390	9.8
233.18996	18.4
244.14653	2.2
245.19153	14.0
247.78229	2.5
249.18581	2.6
253.19572	3.9
255.21021	2.5
259.20532	3.0
267.21048	3.0
270.55948	2.5
271.20465	3.3
273.22031	3.4
279.20999	3.2
285.22141	6.6
313.25259	6.4
322.94354	2.4
363.30539	5.8
365.19806	3.6
381.31549	9.7
399.32547	4.2
403.33530	7.2
409.34473	9.2
421.34637	69.2
439.35751	100.0
457.36758	50.3
478.25381	3.0
579.36853	4.5
597.37427	9.2
615.38971	5.0
766.49561	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.1
57.03426	4.0
57.07073	2.3
61.02677	2.1
61.02933	21.7
67.05503	17.7
69.03416	4.9
69.07070	16.8
69.26601	5.3
69.27024	14.4
71.01363	2.8
71.04967	2.9
73.02921	14.1
77.03997	1.9
79.05486	11.6
81.03413	5.1
81.06580	2.1
81.07063	40.2
82.07386	3.1
83.04987	2.2
83.08624	8.4
85.02906	50.6
91.03955	20.5
91.05484	14.1
93.07051	35.6
95.01336	35.6
95.04970	3.8
95.08611	71.6
96.08955	10.0
97.02904	21.7
97.06511	2.6
97.10184	2.8
98.03211	1.8
98.21575	1.8
99.00816	2.0
99.04429	2.1
99.08104	2.2
101.02370	2.2
103.03938	3.8
103.05475	1.7
105.06371	2.9
105.07036	32.6
106.07355	4.1
107.08596	48.1
108.08916	3.5
109.06525	3.4
109.10165	51.1
110.10505	5.1
111.08105	13.2
111.11784	1.9
113.02377	2.7
117.07021	5.8
119.04957	1.8
119.08584	46.6
120.08912	4.5
121.09294	3.8
121.10145	42.6
122.10486	4.7
123.08102	3.2
123.11720	22.8
125.09632	3.0
127.03928	14.7
129.07014	3.7
131.03491	2.0
131.08569	15.9
133.10129	40.2
134.10503	4.7
135.11691	30.1
137.05960	3.1
137.09633	3.9
137.13277	5.7
139.11189	11.2
141.01831	80.3
142.02171	4.9
142.07747	2.3
143.08537	5.4
145.04965	15.0
145.10117	26.1
146.10397	3.5
147.04439	2.4
147.11702	30.4
149.09636	3.2
149.13261	25.5
150.13591	2.7
151.11186	4.5
153.12726	2.7
155.08559	3.6
157.10126	14.9
158.10539	1.8
159.02875	12.4
159.11694	29.8
160.12064	2.7
161.09727	2.0
161.13246	25.5
162.13560	3.9
163.06018	20.8
163.11186	4.1
163.14850	16.2
164.15161	2.3
165.12744	2.9
167.06979	1.9
169.10066	3.1
171.11713	12.3
172.12041	2.4
173.13289	22.3
174.13626	3.4
175.14865	22.3
176.15160	3.0
177.03998	4.6
177.12746	3.8
177.16431	13.5
179.14322	2.4
183.11810	4.2
185.13287	9.0
187.14830	19.7
189.16412	19.3
190.16772	3.6
191.14372	4.0
191.17950	7.7
193.15939	5.6
195.11690	2.4
195.17506	2.4
197.13312	5.5
199.14838	7.4
201.16429	17.0
203.17953	14.1
204.18283	2.8
205.15901	7.5
207.17436	7.6
208.17737	1.9
211.14893	2.9
213.16417	8.8
215.17960	16.0
217.15985	2.7
217.19511	8.7
219.17419	12.3
221.15382	7.3
221.19003	5.1
222.15744	5.0
225.16397	3.7
227.17981	8.5
229.19521	7.9
231.17430	4.8
231.21266	1.8
233.18976	8.2
237.16324	2.1
239.17921	2.4
241.19525	5.4
243.17441	2.3
245.19025	6.2
247.20529	2.6
251.17813	2.4
253.19469	3.8
255.21030	2.8
257.22586	2.5
259.20648	4.5
261.18427	3.4
263.20032	2.5
267.21042	4.2
269.22586	6.7
271.20724	2.4
273.22086	3.5
281.22620	2.0
283.20786	2.1
283.24164	3.1
285.22171	5.9
287.23700	6.1
295.24133	2.5
301.25195	1.8
311.23590	3.7
327.26718	4.0
341.28424	2.3
363.30560	4.2
367.17920	4.8
367.29987	2.3
379.29913	3.8
381.31570	11.7
391.32898	2.0
397.30914	4.3
398.31290	3.0
399.32318	3.3
403.33508	7.8
409.34668	9.7
420.33420	2.2
421.34634	85.1
426.34369	2.5
427.35593	4.3
437.33929	9.0
438.34613	13.3
439.35651	100.0
440.35992	3.7
455.35367	2.8
456.35635	5.0
457.36652	44.0
579.36469	2.5
597.38135	9.6
615.38776	6.6
652.76935	1.9
659.99225	1.9
828.33954	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
57.07069	1.4
59.04941	0.5
61.02925	14.8
67.05499	8.7
69.03413	2.4
69.06714	1.0
69.07063	12.1
69.85093	1.2
69.85490	3.4
70.06562	0.7
71.01340	1.9
71.04971	0.7
73.02915	7.6
77.03894	0.7
79.05495	5.2
80.48532	0.5
81.03404	2.2
81.07053	18.3
82.24373	0.7
83.01310	0.7
83.04964	2.4
83.08611	2.9
85.02897	29.1
85.06531	1.5
86.09708	0.8
91.03951	14.3
91.05462	4.9
92.61391	0.6
93.07043	16.2
95.01327	27.1
95.04964	1.3
95.08599	45.5
97.02888	15.7
97.06514	1.7
97.10159	1.4
99.00801	2.3
99.04459	1.6
99.08086	1.1
101.02385	1.7
103.03912	2.5
105.07018	12.8
107.08590	24.7
109.02821	0.8
109.06499	1.8
109.10149	25.0
110.10502	0.6
111.04469	0.6
111.08063	7.7
111.11723	1.2
113.02338	3.7
115.03945	1.0
115.05400	0.8
117.07034	2.0
119.08575	20.4
121.10131	16.9
123.00749	1.0
123.08070	1.5
123.11694	8.4
125.09617	3.0
127.03898	7.8
128.06252	0.8
131.03403	2.1
131.08557	5.2
133.10123	16.5
135.07924	0.7
135.11678	15.8
137.09593	4.2
137.13272	2.7
139.11154	3.3
141.01817	69.3
143.08499	2.9
145.04961	8.9
145.10121	10.9
147.10504	0.8
147.11678	14.6
149.09613	1.4
149.13252	12.7
151.11139	2.0
153.09120	2.7
153.12796	1.1
155.08572	1.1
157.10117	5.6
159.02888	12.3
159.11691	11.6
161.09660	1.2
161.13245	9.6
163.06007	16.3
163.11189	1.4
163.14812	7.0
165.12689	1.7
169.10146	1.8
171.11705	5.7
173.13251	8.9
175.14807	8.9
177.03958	4.0
177.12776	2.4
177.16391	6.2
179.14308	1.0
183.11682	2.5
185.13231	3.4
187.14833	5.9
189.12723	1.6
189.16376	13.2
191.14313	2.3
191.17944	2.3
193.15866	2.9
195.11595	0.8
195.17415	3.0
197.13297	3.0
199.14821	4.3
201.12744	1.9
201.16356	10.8
203.14342	2.2
203.17953	6.4
205.15849	4.3
207.17403	6.3
209.13243	0.7
211.14784	1.5
213.16365	3.8
215.14380	2.3
215.17946	5.1
217.15907	4.7
217.19545	1.8
219.17421	12.7
221.15404	0.7
221.19063	1.0
223.14853	1.3
225.16382	2.1
227.17952	2.4
229.15924	1.3
229.19479	1.8
231.17368	3.6
233.19026	2.7
235.16869	0.8
237.16406	0.9
239.17993	1.4
241.15884	0.9
241.19464	1.8
243.17490	3.4
243.21130	1.4
247.16942	0.8
247.20570	2.6
249.18590	0.8
253.19557	0.9
255.20970	1.4
257.18945	1.7
257.22659	0.8
259.16818	0.7
259.20663	1.5
261.18460	13.4
267.21024	1.1
269.19077	1.6
269.22501	1.4
271.20544	1.0
273.18530	1.3
273.22211	1.8
275.20068	3.9
283.20605	1.3
287.20007	2.7
289.21628	4.0
297.22009	1.2
299.20041	2.0
301.21631	3.3
303.23135	0.8
311.23694	3.0
313.21725	0.8
315.23227	2.6
323.27301	1.0
325.25201	1.1
327.23151	1.1
329.24823	2.9
335.27527	0.8
341.24619	0.7
343.26346	2.5
351.30432	1.1
355.26242	0.9
361.28860	0.6
379.29996	1.4
395.33127	1.0
397.30981	8.0
401.31674	0.6
407.33466	0.8
409.34622	4.0
419.33029	8.2
425.34235	4.2
427.35504	1.2
437.34131	52.6
438.34415	1.8
455.35172	100.0
456.35638	2.7
473.36282	2.0
587.45038	0.7
595.36090	1.6
613.37396	8.8
771.83783	0.6
811.42230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
57.07060	2.1
57.52208	1.2
61.02639	1.9
61.02923	26.4
65.05834	1.1
67.05502	19.3
69.03417	6.6
69.07059	13.9
71.01350	1.9
71.05003	3.0
71.12117	1.9
73.02917	13.8
79.05489	10.8
81.03405	2.8
81.07050	41.9
83.01299	1.3
83.04979	1.3
83.08636	6.3
85.02898	50.5
85.06516	1.6
88.48533	1.3
91.03950	25.0
91.04992	1.4
91.05455	10.9
93.07037	32.8
95.01328	36.8
95.04948	3.5
95.08603	67.6
97.02888	23.5
97.06538	7.8
97.10138	3.1
99.00801	3.2
99.04432	3.1
99.08103	1.7
101.02347	2.6
103.03934	5.4
105.07027	34.4
107.08588	45.4
109.02861	2.1
109.06535	3.0
109.10151	55.4
111.08077	17.7
113.02357	5.6
115.03914	2.2
117.07021	3.2
119.08577	56.7
121.06499	2.2
121.10141	33.7
123.00766	2.3
123.08057	2.3
123.11706	17.9
127.03922	16.8
128.06171	1.3
129.31996	1.2
131.03409	3.1
131.08542	12.4
133.10120	45.3
135.08008	2.2
135.11685	28.7
137.09570	3.2
137.13231	5.0
139.11176	2.8
141.01822	98.7
142.07793	2.6
143.08507	6.0
145.04955	14.0
145.10115	22.6
147.11681	30.8
149.09627	2.0
149.13249	25.4
151.11176	1.8
155.08560	3.2
156.09419	1.5
157.10104	17.0
158.10895	1.6
159.02890	18.3
159.11694	37.7
161.09627	3.2
161.13248	53.5
162.04634	1.2
163.06024	26.9
163.11227	1.4
163.14827	16.9
165.12750	3.1
169.04100	1.3
169.10150	4.7
171.11694	15.2
173.13277	25.7
175.11218	2.8
175.14815	33.9
177.03911	6.8
177.12756	2.1
177.16356	16.5
179.10692	2.5
179.14340	1.4
183.11667	7.9
185.13222	10.9
187.14828	14.4
189.12685	1.6
189.16367	24.5
191.17950	6.1
193.12263	4.5
193.15930	2.3
195.11755	1.8
195.17490	1.5
197.13283	5.4
198.13872	1.4
199.14731	10.1
201.12798	1.7
201.16393	15.2
203.14282	4.6
203.17929	23.7
205.15886	5.0
205.19533	1.4
207.13818	2.9
207.17433	8.6
209.13196	2.0
211.14854	4.3
211.30931	1.6
213.16397	10.8
215.17931	13.9
217.15880	5.6
217.19534	6.9
219.13828	5.4
219.17459	5.7
221.15363	62.3
221.18651	7.6
222.15631	1.6
223.14877	2.0
225.16331	3.4
227.14325	1.3
227.17943	2.2
229.15811	5.9
229.19521	3.8
231.13821	2.6
231.17432	8.7
233.15263	4.2
233.18947	5.0
235.16925	4.7
239.17923	2.2
241.15988	1.4
241.19510	2.6
243.17458	6.7
243.21063	2.1
247.16901	9.0
247.20587	1.7
249.18509	10.4
251.18004	2.4
253.19463	3.0
255.21085	3.8
257.22720	1.7
259.16922	2.9
261.18457	10.6
267.21021	1.9
269.19058	1.7
269.22525	2.7
273.18613	1.5
275.19971	4.3
275.23010	1.5
287.20163	1.9
289.21509	2.2
311.23615	1.4
315.23138	2.3
318.71924	1.5
327.23224	2.6
329.24677	2.8
337.28864	1.2
339.22916	1.3
361.28683	2.1
365.19568	1.4
379.29785	3.9
397.30975	21.7
398.31540	1.7
407.33084	6.5
419.33096	15.3
425.34058	33.1
426.34433	2.3
429.93170	1.4
435.32526	1.7
437.34134	100.0
438.34653	7.7
455.35165	67.3
456.35822	2.7
595.35638	2.7
613.37305	4.9
621.30731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.5
57.07069	1.8
61.02637	1.1
61.02928	18.4
65.03943	0.6
67.05171	0.7
67.05508	13.2
68.99795	0.7
69.03433	4.6
69.06762	0.8
69.07068	8.0
70.55244	2.1
71.01350	1.6
71.04990	0.9
73.02921	10.6
79.05485	8.5
79.60155	0.7
81.03408	1.5
81.07059	30.9
83.01328	0.9
83.04976	1.0
83.08619	3.2
85.02903	41.4
91.03395	1.1
91.03961	19.4
91.05466	8.9
93.07041	26.0
95.01329	33.4
95.04965	3.0
95.08607	76.0
97.02894	17.7
97.06509	2.6
97.10168	1.7
99.00831	3.0
99.04470	1.1
99.08104	1.1
101.02380	2.4
103.03942	3.3
103.05492	1.0
105.07027	29.8
107.08592	41.6
108.08965	0.9
109.02888	1.6
109.06522	2.9
109.10155	30.7
111.08077	7.6
112.56904	0.7
113.02383	4.9
115.03946	2.1
117.07025	3.7
119.08579	37.5
121.06469	0.8
121.10145	27.1
121.11026	1.3
123.00777	0.7
123.08074	1.6
123.11723	9.6
125.09632	1.3
127.03902	9.4
129.07008	2.0
131.03391	2.6
131.08566	12.6
133.09099	1.4
133.10130	26.9
135.07997	0.6
135.11693	25.7
137.09602	1.8
137.13251	2.5
139.11205	3.3
141.01825	84.2
142.07813	1.3
143.08554	5.9
144.09337	1.1
145.04956	9.3
145.10121	23.0
145.11284	1.3
147.08025	0.9
147.11678	21.3
149.09660	1.5
149.13254	20.0
151.11203	3.5
152.65543	0.7
153.12767	0.8
155.08487	1.3
156.09338	2.2
157.10132	11.7
157.11320	1.3
158.10861	1.4
159.02888	15.1
159.08128	0.6
159.11688	23.2
161.09567	0.9
161.13255	20.8
163.06012	17.0
163.11191	2.3
163.14835	7.6
165.12775	3.0
169.10164	2.8
171.11670	8.7
173.13249	19.6
174.13786	0.7
175.11203	2.4
175.14830	17.4
177.03966	3.8
177.12730	5.2
177.16377	7.6
179.14331	2.5
181.09999	0.8
183.11711	3.7
185.13239	6.9
186.13948	0.9
187.14807	12.8
189.12784	2.3
189.16389	17.8
191.14293	4.6
191.17961	4.2
193.15891	4.7
195.11644	0.9
195.17444	2.4
196.12468	0.7
197.13289	3.9
199.14844	8.7
200.15555	0.7
201.12741	1.7
201.16388	15.7
203.14362	7.4
203.17938	11.6
205.15910	6.2
205.19577	1.4
207.17447	5.9
209.13196	1.3
211.14792	3.3
213.16371	7.4
215.14424	1.2
215.17961	12.2
217.15909	6.2
217.19516	1.9
219.17430	8.7
221.15366	1.6
223.14810	1.5
225.16376	3.4
227.17897	4.6
229.15935	2.9
229.19429	3.4
231.17445	7.5
233.15359	1.1
233.18945	2.3
235.17032	0.9
239.17989	1.7
241.15938	2.1
241.19592	2.1
243.17476	9.6
243.21146	3.2
245.19078	2.7
247.17082	1.1
247.20728	0.9
251.18068	1.4
253.19518	2.8
255.17426	2.0
255.21095	1.6
257.18976	3.3
259.20651	1.5
261.18500	21.8
265.19485	0.8
267.21051	1.8
269.19003	2.2
269.22632	2.0
271.20612	4.4
273.18533	2.1
273.21890	1.1
275.20129	3.9
281.19165	1.6
281.22736	1.7
283.20569	2.2
283.23926	0.9
285.18954	0.9
285.22098	2.3
287.20001	4.0
289.21588	9.0
295.20728	0.9
297.22159	2.1
299.20047	1.2
299.23502	1.0
301.21567	4.1
311.23679	2.6
313.25082	0.8
315.23148	2.8
321.08167	0.9
325.25443	1.1
327.23251	0.8
329.24637	4.5
343.26370	2.0
351.18027	1.2
361.29044	0.7
365.19434	1.1
377.28323	1.6
379.29932	6.4
391.33450	3.2
395.29550	2.7
397.31094	6.4
401.32071	1.7
407.33093	2.2
409.34625	2.4
417.31873	0.8
419.33081	31.2
420.33688	1.1
429.24072	0.7
437.34155	100.0
438.34393	3.3
455.35223	55.7
456.35571	2.3
577.35455	1.1
595.36127	6.3
613.37256	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	811.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
57.07079	1.1
61.02924	17.3
65.03927	0.8
67.05502	13.5
69.03426	2.7
69.07064	8.4
70.06583	1.5
71.01352	2.4
71.05001	1.6
71.60020	1.5
73.02912	10.7
78.31764	0.7
79.05493	9.1
79.88680	0.7
81.03410	3.0
81.07055	30.2
83.01333	1.0
83.04979	1.1
83.08616	3.0
84.08105	0.8
85.02902	35.1
91.03949	18.8
91.05467	8.8
93.07043	26.4
93.73987	0.7
94.23982	0.9
95.01323	31.0
95.04964	2.5
95.08601	72.5
97.02888	17.7
97.03506	1.1
97.06545	3.9
97.10167	2.7
99.00810	2.3
99.04450	1.7
101.02379	1.6
103.03944	2.9
105.07030	28.0
106.83059	0.7
107.08591	37.0
109.02841	0.7
109.06526	2.9
109.10149	32.6
111.08096	8.6
113.02337	4.9
115.03920	1.8
117.07030	3.3
117.49261	0.9
119.04939	0.7
119.08574	35.3
121.06523	1.3
121.10142	25.3
123.00797	2.0
123.08086	1.8
123.11700	9.2
125.09679	1.2
127.03910	9.1
128.06216	0.8
129.07043	1.7
131.03398	1.8
131.08569	12.4
133.10130	25.5
135.11687	29.5
135.12689	1.7
137.09654	1.4
137.13261	3.0
139.11201	3.3
141.01822	82.1
142.07758	1.6
143.08557	5.3
144.09346	1.4
145.04950	8.3
145.10114	20.5
146.10971	0.8
147.04445	2.6
147.11671	21.3
147.12764	1.2
148.11990	0.8
149.13255	16.9
151.11214	3.9
153.12732	1.2
155.08575	0.9
156.09419	1.7
157.10139	8.8
159.02888	14.1
159.11687	24.9
159.13000	1.2
161.09602	0.8
161.13248	20.4
161.14590	1.0
163.06010	16.9
163.11214	2.2
163.14812	7.3
165.12791	2.8
169.10118	3.8
171.11705	8.7
173.09790	0.8
173.13264	19.8
173.14680	1.5
175.11252	1.8
175.14815	17.0
175.16226	1.1
176.15344	1.0
177.03989	3.3
177.12781	5.5
177.16373	7.6
179.14346	2.5
181.10097	1.0
183.11653	4.6
185.13271	6.5
187.14833	10.1
189.12755	2.1
189.16376	17.5
191.14304	4.2
191.17963	5.4
193.12335	1.3
193.15852	4.9
195.17548	1.5
197.13283	3.6
199.14801	11.2
200.15520	0.9
201.16382	14.7
203.14319	8.5
203.17966	9.9
204.10214	0.8
205.15884	5.8
207.17404	6.1
209.13304	1.3
211.14857	3.6
213.16353	7.5
215.14590	2.1
215.17937	11.8
217.15903	5.0
217.19554	2.8
219.17442	8.2
221.15327	1.0
223.14873	1.1
225.16432	3.5
227.17912	4.6
229.15901	2.5
229.19557	3.0
231.17458	9.1
233.19044	2.7
235.16985	1.1
239.17944	1.3
239.82159	0.9
241.15897	1.6
241.19534	2.4
243.17491	9.5
243.21104	1.6
245.18884	1.7
247.16931	1.7
249.18513	1.0
251.18037	1.7
253.19502	1.9
255.21182	1.9
257.18982	2.2
261.18460	20.6
263.17743	1.1
265.19540	1.0
267.21106	2.2
269.19028	2.4
269.22699	0.9
271.20547	6.2
273.18588	2.9
273.22208	1.0
275.20148	3.4
278.14856	1.1
281.22705	1.0
283.20584	2.2
283.24228	0.9
285.18665	1.2
285.22180	2.2
287.20139	2.7
289.21539	8.4
295.20798	1.3
297.22241	2.5
299.20203	1.6
301.21716	3.5
311.23752	2.9
315.23297	2.5
323.15295	0.9
325.25308	1.4
329.24777	4.8
337.29028	1.1
343.26163	1.6
351.18042	1.3
365.19675	1.1
379.29871	6.9
391.33746	2.2
393.31622	1.1
395.29544	2.4
397.30902	6.7
401.32419	1.4
407.33221	3.0
409.34799	1.6
419.33081	32.2
437.34152	100.0
438.34543	3.8
455.35211	60.1
456.35620	2.1
577.35156	2.3
595.36279	5.5
613.37347	9.2
665.32721	1.8
811.35712	35.0
812.35999	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.6
57.07087	1.1
61.02643	1.4
61.02929	21.7
65.03934	1.5
67.05502	15.0
69.03430	4.7
69.07073	8.1
70.06581	4.4
71.01326	2.7
71.04988	2.2
73.02919	10.8
77.03942	1.0
79.05497	9.5
81.03415	8.6
81.07060	28.8
83.01360	1.0
83.04979	2.6
83.08612	4.4
84.08098	0.9
85.02905	42.2
85.06549	1.8
91.03954	20.5
91.05476	9.0
91.37749	0.9
93.07050	24.1
95.01328	27.8
95.04967	4.1
95.08607	55.1
97.02889	20.4
97.06525	22.7
97.10170	2.0
99.00808	2.5
99.04479	1.9
101.02383	1.2
103.03942	3.3
105.07036	26.0
107.04962	6.0
107.07857	1.7
107.08593	36.4
109.02898	2.9
109.06508	3.2
109.10155	32.9
109.10908	1.4
111.08080	9.4
113.02382	4.6
117.07008	2.3
119.08582	33.6
121.06508	1.4
121.10148	25.9
123.08060	1.9
123.11713	10.4
125.09645	2.2
127.03914	12.6
129.06979	2.0
130.35971	0.9
131.03458	1.6
131.08575	13.1
133.10135	30.8
135.11685	20.0
137.05989	1.6
137.09616	3.2
137.13275	3.3
139.03864	1.1
139.11191	2.5
141.01826	83.6
142.07729	1.4
143.08571	9.5
144.09309	1.5
145.04938	11.9
145.10124	20.7
147.08029	1.9
147.11688	21.1
149.09625	1.9
149.13274	19.8
151.11121	2.0
151.14801	1.6
155.08565	4.1
155.10684	1.9
156.09351	2.1
157.08865	0.9
157.10123	16.5
158.10873	1.8
159.02898	12.4
159.11691	33.4
161.09590	2.0
161.13243	17.4
163.06026	20.4
163.11124	1.5
163.14867	5.9
165.12732	4.2
167.10619	1.4
169.10130	7.5
170.10860	2.4
171.11690	17.7
173.13266	22.0
175.11224	1.5
175.14827	20.1
177.03955	4.5
177.12779	1.7
177.16389	9.4
179.10680	4.1
181.10127	1.3
181.12122	0.9
182.10883	2.0
183.11702	10.6
184.12456	1.5
185.13255	10.0
187.14833	14.0
189.12822	1.5
189.16373	16.3
191.14319	2.6
191.17876	2.9
193.12259	1.3
193.15875	5.0
195.11693	2.1
195.17474	2.4
196.12482	1.9
197.13264	7.5
199.14795	11.6
201.16397	16.9
203.14340	4.0
203.17981	12.4
205.15863	5.6
207.13873	2.4
207.17476	7.2
208.67976	1.1
209.13219	2.4
210.14426	1.0
211.14777	7.8
213.16360	8.4
215.14302	2.2
215.17924	8.2
217.15794	5.7
217.19508	2.7
219.13937	1.6
219.17451	6.3
220.64766	1.1
221.15433	1.8
221.19084	1.6
223.14815	2.6
225.16377	5.3
227.17986	4.2
229.15881	3.4
229.19556	3.0
229.96814	1.1
231.17432	6.5
233.18990	2.8
235.16928	3.9
237.16330	1.3
239.17961	2.8
241.19527	2.6
243.17479	7.6
247.14514	1.5
247.16930	15.1
249.18539	2.6
251.17911	1.4
253.19551	3.1
255.17545	1.1
255.20966	1.4
257.18994	1.9
261.18546	13.1
267.21191	1.8
269.18948	1.6
269.22598	1.8
271.20627	3.0
273.18411	1.8
275.20038	4.0
277.14386	1.4
277.19757	1.3
279.08856	1.5
281.22546	1.0
283.20612	1.7
287.19958	2.0
289.21533	6.3
297.22162	2.1
301.21680	3.1
311.23654	1.7
315.23166	3.3
321.25696	1.4
327.23294	1.2
327.26758	1.2
329.24646	3.9
343.26318	1.5
361.28809	1.0
365.19595	1.8
379.29977	9.4
391.33600	1.1
397.30963	7.3
401.32275	2.1
407.33020	3.6
419.33090	14.2
425.34180	9.9
437.34149	91.7
438.34393	1.9
455.35211	100.0
456.35547	2.1
473.36371	7.2
577.34979	1.7
579.26141	1.2
579.35925	1.0
595.36102	5.1
613.37158	5.8
770.01727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
57.07064	2.7
58.64238	1.3
58.90243	1.2
61.02637	1.4
61.02923	16.8
67.05499	10.2
69.03407	3.6
69.07059	6.8
69.58237	9.3
70.06564	1.2
71.01341	1.8
73.02901	9.4
75.04510	1.2
76.82736	1.5
77.10896	1.1
79.05486	7.1
81.03408	3.3
81.07060	23.3
83.04975	3.5
83.08624	3.3
85.02898	37.3
86.73421	1.2
91.03945	18.1
91.05455	7.0
93.07041	19.7
95.01325	29.6
95.04984	1.9
95.08600	52.9
97.02888	16.1
97.10126	1.5
99.00838	3.6
99.04463	1.3
101.02379	1.7
103.03922	3.4
105.07028	18.1
107.04953	4.2
107.08592	30.6
109.02879	1.6
109.10149	37.3
111.04425	1.4
111.08079	3.6
113.02368	4.7
117.07051	2.2
119.08579	28.2
121.10140	20.6
123.00739	2.2
123.11723	9.4
127.03909	9.8
129.06984	1.4
131.03397	2.1
131.08569	9.3
133.10115	19.2
135.11697	15.3
137.13263	1.5
139.11172	2.4
141.01822	78.6
143.08546	4.7
145.04979	8.2
145.10117	22.7
147.11678	19.6
149.13246	17.1
151.11139	1.5
157.10100	7.7
159.02905	12.4
159.11691	21.4
161.13242	19.3
163.06026	19.8
163.11139	1.2
163.14845	6.0
165.16544	1.3
167.14163	1.7
169.10118	3.6
171.11707	6.9
173.13232	15.3
175.14801	9.3
177.03915	4.1
177.16316	7.4
183.11661	3.6
185.13239	5.6
187.14824	20.9
189.12842	1.8
189.16382	20.2
191.17949	2.3
193.12225	2.7
193.15874	1.8
195.17418	1.4
197.13280	3.5
199.14787	8.6
201.16389	27.7
203.17920	5.9
205.12346	1.3
205.15907	4.6
207.13838	5.2
207.17467	6.6
211.14830	4.7
213.16347	11.6
215.17958	5.3
217.15926	1.2
219.13811	5.3
219.17343	1.5
221.15433	2.2
223.14856	1.5
225.16341	4.3
227.17848	6.4
231.13536	1.5
233.15424	7.3
235.16888	1.6
239.17908	2.7
241.16020	1.5
241.19560	2.6
245.15401	2.8
245.19093	1.3
247.16901	9.3
253.19513	1.6
255.21011	2.1
257.15381	4.2
259.16931	34.5
267.20993	2.6
271.16980	4.2
273.18558	9.3
280.66397	1.3
281.22604	1.3
283.16855	1.8
285.18500	9.0
287.20016	11.5
297.18332	2.9
299.20013	7.2
301.21750	1.5
313.21603	6.7
325.21570	4.4
327.23312	6.1
339.23138	3.1
341.25024	5.8
379.26065	1.5
389.32199	2.0
395.29492	15.9
407.32898	8.9
423.32651	15.6
435.32571	100.0
453.33627	85.8
457.33240	1.3
471.34476	2.9
593.34705	2.1
611.35559	5.3
668.46625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43038	0.5
57.03420	2.6
57.07069	1.2
61.02925	11.2
65.03951	1.1
67.05161	0.9
67.05499	13.2
68.99767	0.9
69.03423	4.7
69.07064	7.3
69.53741	4.7
70.06596	0.6
71.01347	1.7
71.05009	0.6
73.02912	6.2
77.03957	0.5
79.05484	7.8
81.03407	2.2
81.07053	25.9
83.01339	1.1
83.08612	3.8
85.02901	34.5
91.03949	10.5
91.05471	7.2
93.07038	22.6
95.01324	30.3
95.04955	1.7
95.08600	61.5
97.02885	13.9
97.06519	1.1
97.10147	1.7
98.21468	0.8
99.00813	2.5
99.04441	1.0
101.02366	2.1
103.03968	3.2
105.07029	21.5
107.08588	33.5
109.02890	0.7
109.06510	1.7
109.10149	39.5
111.08054	3.9
113.02351	3.7
115.03938	0.8
115.32456	0.6
117.07025	2.9
119.08571	31.5
120.08081	0.5
121.10136	21.5
123.00710	1.2
123.08038	0.8
123.11700	8.4
125.09603	1.6
127.03910	8.2
129.06960	1.4
131.03400	2.0
131.08557	9.1
133.10123	23.6
135.11678	18.2
137.13237	1.4
139.11172	2.7
141.01817	74.5
142.07852	0.6
143.08560	4.1
144.09314	1.0
145.04944	9.4
145.10112	28.8
146.10768	0.7
147.11685	19.2
149.13254	21.1
151.11165	1.5
153.12750	1.4
156.09293	1.1
157.08878	1.1
157.10098	7.7
158.10907	0.9
159.02879	10.8
159.11685	25.2
160.12343	0.5
161.13243	16.3
163.06010	13.0
163.07372	0.9
163.11227	0.9
163.14809	8.6
165.12709	0.9
169.10106	1.7
171.11687	8.8
172.12477	0.9
173.13245	14.1
173.14671	1.0
175.14816	10.2
177.03905	5.3
177.16382	7.0
179.10629	1.2
182.10889	1.2
183.11646	3.0
185.13232	6.6
187.11209	0.9
187.14799	20.0
189.12735	2.7
189.16364	20.7
191.10646	1.0
191.17938	1.6
193.12320	0.9
193.15863	2.1
195.11717	1.3
195.17378	0.7
197.13289	4.3
199.14816	7.8
201.16365	27.3
202.17113	0.7
203.10687	0.7
203.14362	0.7
203.17955	6.0
205.12259	1.8
205.15839	4.2
207.13824	4.2
207.17404	6.4
209.13303	0.7
210.14044	0.7
211.14867	4.0
213.16391	13.1
215.14323	1.8
215.17938	5.1
217.12238	1.1
217.15831	1.0
217.19574	1.0
219.13766	3.7
219.17488	1.6
221.15381	1.5
223.14839	1.5
225.16420	3.7
227.17928	6.4
229.15898	0.7
229.19510	1.8
231.13969	1.3
231.17310	1.1
233.15369	7.7
235.16928	2.2
237.16312	1.1
239.17979	3.0
241.15845	1.6
241.19450	3.0
243.13887	0.9
243.21236	1.0
245.15404	2.3
247.16891	11.6
249.18562	1.0
251.17911	0.9
253.19557	1.4
255.17351	0.6
255.21088	2.3
257.15384	3.0
259.16919	32.6
261.18509	1.0
267.21152	2.2
269.22647	0.7
271.16943	7.3
273.18445	9.2
275.20395	0.7
279.21063	1.0
281.22650	1.6
283.16910	2.1
285.06183	0.6
285.18536	11.0
285.21811	0.7
287.20032	12.6
295.24091	1.2
297.18457	4.2
299.20053	8.3
301.21695	2.6
311.20139	1.5
313.21600	8.0
321.08450	0.7
325.21591	3.0
327.23126	6.3
339.23132	2.9
341.24777	4.0
349.29175	0.7
351.23022	1.2
353.24710	1.2
356.07074	0.6
365.19839	0.7
365.24506	1.2
379.26404	1.4
389.32053	2.1
393.27878	2.2
395.29456	13.9
399.12183	0.6
407.33130	8.9
417.31073	0.7
423.26788	0.8
423.32541	15.4
424.33188	0.7
425.34079	1.5
435.32581	100.0
436.32852	1.8
453.33618	75.6
454.34024	0.7
471.34525	1.1
490.78046	0.7
565.35590	0.9
575.33746	0.8
593.34637	0.7
611.35724	5.0
681.48322	0.6
838.89105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64469	0.3
63.74151	0.3
65.03939	0.3
67.05506	0.9
69.65953	2.6
70.06606	1.8
71.05002	0.7
74.37579	0.3
79.05493	1.4
81.03414	14.2
81.07048	0.7
83.04976	1.0
84.04501	0.4
84.08160	1.0
85.02919	2.4
85.03344	0.4
86.09706	0.6
91.05493	1.4
93.07072	1.0
95.01356	0.5
95.04972	1.2
95.08623	1.4
97.02933	0.5
105.07041	1.2
107.04960	1.9
107.08630	1.2
109.10195	0.6
111.04471	1.2
113.06042	0.6
119.04967	0.9
119.08597	0.9
121.10178	0.6
122.09412	0.3
129.05481	0.6
131.08614	0.4
133.06494	0.6
135.96686	0.3
137.06006	0.6
139.07516	0.5
141.01826	1.5
145.10175	0.4
147.04410	2.9
147.08070	1.6
149.13255	0.6
155.08551	0.4
165.09164	0.5
167.07109	0.6
169.02600	0.7
171.11601	0.4
173.13255	0.5
201.16449	0.6
204.10262	0.8
215.17998	0.6
241.12361	0.9
259.13327	1.7
274.17404	0.4
275.16452	0.7
277.14334	9.1
277.17279	0.5
297.43109	0.4
302.75531	0.4
305.08517	0.3
341.57718	0.4
371.24249	1.5
387.14575	0.5
389.14825	0.6
413.16077	0.5
443.19263	0.7
451.32031	2.1
469.33328	1.7
472.22269	0.5
517.27771	5.6
606.26068	1.0
646.28625	0.5
661.30634	0.5
663.31451	5.8
809.35193	100.0
810.35510	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	809.279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.1
62.56040	0.1
65.03931	0.8
69.03402	0.4
69.74816	0.9
71.05003	0.2
80.21198	0.1
83.04972	0.5
84.08147	1.9
85.02899	0.9
91.05477	5.4
95.05006	0.2
97.02892	0.3
99.04437	0.2
107.04936	0.2
107.70552	0.1
109.02884	0.8
110.09661	0.2
111.04456	0.2
112.11232	3.7
119.04940	15.9
119.42312	0.1
120.05248	0.3
126.19440	0.1
127.03931	0.3
129.05447	0.2
129.13890	2.2
147.04404	100.0
148.04762	1.2
151.03906	0.2
153.01788	0.2
155.11774	1.6
165.05449	0.9
193.64412	0.1
204.10193	41.0
205.10493	0.8
224.19760	0.1
275.17526	9.5
290.13983	0.2
291.08652	1.7
309.09711	0.5
317.24072	0.1
399.10956	0.3
421.23218	1.5
583.29224	0.2
658.25140	0.7
729.32251	47.3
730.32617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03392	0.8
58.99548	0.5
61.01112	0.5
61.02884	0.5
63.54280	0.3
65.03892	0.4
66.28931	0.3
67.05514	2.0
68.05002	0.4
69.03419	2.3
69.07015	1.1
70.02915	0.4
70.06549	0.9
71.04954	0.4
71.09763	0.7
72.04475	0.4
72.08111	0.3
73.02866	0.9
77.03883	0.5
79.05492	4.4
80.05002	0.4
81.03368	0.9
81.07063	3.7
81.16125	0.3
83.04938	0.8
85.02912	2.5
86.00599	0.4
86.09676	0.4
87.04423	0.4
88.02214	2.8
88.03990	1.7
91.05482	9.8
93.07037	4.7
94.06502	0.6
95.04961	1.8
95.08554	1.3
97.01070	0.9
97.02836	1.4
97.06486	1.1
100.02137	0.9
100.03969	3.6
103.05415	1.0
105.04459	0.4
105.07030	14.9
107.04919	0.9
107.08595	3.8
109.02848	0.3
109.06470	1.1
109.10078	0.4
111.02607	0.4
115.05404	1.3
116.06219	0.4
117.07020	7.6
118.06508	0.5
119.04868	0.6
119.07803	0.5
119.08571	7.6
120.08048	0.4
121.06496	1.5
121.10169	1.5
123.02609	0.9
125.06004	0.4
126.05498	0.8
127.03857	0.7
128.01707	1.6
128.06204	3.2
129.07002	6.1
130.07722	1.2
131.04860	0.5
131.07593	0.4
131.08566	8.8
133.06506	1.8
133.10126	2.6
134.01811	0.3
134.02695	2.2
135.02600	0.5
135.04350	0.4
135.08017	1.0
135.11607	0.5
137.04163	0.7
141.06982	2.3
142.07759	1.8
143.08557	10.1
144.09296	0.5
145.06502	2.5
145.10118	20.7
146.02632	1.0
146.09627	0.4
147.02553	0.8
147.08017	2.3
147.11685	9.9
149.04097	1.2
149.05956	0.6
149.09579	0.7
149.13231	0.5
151.05737	0.6
151.07477	0.5
153.06943	1.2
154.07695	1.3
155.08554	4.9
156.09315	1.8
157.06496	0.8
157.10100	5.6
158.07230	0.9
158.10965	0.4
159.08061	2.3
159.11711	2.4
160.11073	0.4
161.04239	1.6
161.09619	1.9
161.13191	0.6
163.05719	0.6
163.07510	0.7
163.11182	1.6
165.06946	1.2
166.07739	1.0
167.07126	0.6
167.08450	0.8
168.09273	0.7
169.10127	3.9
170.10913	0.5
171.08044	5.6
171.11688	6.9
172.08789	0.7
173.04179	0.5
173.09619	14.8
173.13257	6.7
174.10313	1.2
174.65039	0.3
175.05756	1.0
175.07524	0.9
175.11200	2.2
175.14775	0.7
177.09041	0.8
179.08513	1.0
181.10133	2.4
183.07993	0.6
183.11626	1.1
184.08830	0.8
185.04225	0.5
185.09612	2.1
186.05225	0.4
187.05820	0.6
187.07428	0.4
187.11194	2.4
188.06580	0.4
189.03677	0.6
189.07393	0.7
189.09077	1.0
189.12712	1.8
191.05281	0.4
191.10655	2.5
192.10161	0.3
193.06795	0.4
193.12097	0.3
197.09639	2.9
198.05000	1.3
199.11166	6.1
201.07317	0.5
201.09081	0.4
201.12747	3.1
203.08842	2.3
203.10646	1.1
205.06784	0.7
205.12161	0.5
207.04741	0.4
209.09616	0.5
213.07349	1.5
213.09105	0.4
214.15878	0.4
215.10654	1.8
216.13815	0.7
217.12216	3.3
218.11807	0.8
219.13773	0.8
221.09962	0.7
225.09293	0.3
227.10674	2.4
227.12666	0.5
231.08344	2.3
233.11769	1.6
234.14903	0.8
244.13316	0.4
245.11717	2.5
246.14868	0.4
249.09453	2.1
258.14941	0.9
259.07697	0.4
260.16388	0.7
262.14487	0.4
263.12711	0.4
277.08911	17.5
279.10474	0.5
280.15414	6.8
286.14343	0.4
295.09976	9.6
303.92816	0.3
304.15326	2.2
306.17117	0.8
332.14932	1.3
338.14236	0.5
350.16077	7.0
367.12006	2.6
384.14825	0.8
396.14786	5.3
399.10608	0.9
436.14291	0.4
442.20798	2.2
454.15363	0.4
496.41446	0.4
516.65796	0.3
600.26233	4.2
602.27997	0.6
610.24176	0.4
628.25427	1.5
646.26758	100.0
647.26703	2.5
808.31940	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	806.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.6
61.02912	4.5
67.05498	1.7
68.99780	3.6
69.03427	19.7
70.06585	3.4
71.04961	2.2
71.33598	2.1
71.33963	1.4
72.08134	1.5
73.02908	4.5
79.05485	4.2
81.03411	19.9
84.08125	2.0
85.02424	3.1
85.02905	48.4
87.00833	16.6
91.05473	13.1
94.04172	1.7
95.04969	7.8
97.02885	19.2
99.04442	6.5
103.03934	6.3
103.05447	13.8
105.01845	13.7
105.07033	17.4
107.04950	20.0
109.02885	22.0
109.06512	1.6
111.04430	3.4
115.05444	6.4
117.06979	3.6
119.04939	10.5
121.06470	6.8
122.03641	3.8
123.04470	2.0
127.03915	24.7
128.06178	2.6
129.01825	4.4
129.07021	3.5
130.04245	1.4
131.04922	32.9
133.02826	4.3
133.06488	21.7
135.08017	5.1
137.05972	100.0
141.06973	4.2
143.04900	2.4
144.05664	1.4
145.04922	8.7
145.06458	4.3
146.03616	2.0
147.02859	2.1
147.04376	7.2
148.05121	2.2
149.05974	19.8
150.06757	2.4
151.03900	4.6
151.07530	28.8
155.04845	2.9
157.06462	3.3
159.02963	3.6
159.04384	8.2
159.08044	1.9
160.05237	3.6
161.05972	64.3
161.09634	12.6
162.06668	4.1
163.07536	52.1
165.05493	2.4
165.09109	13.7
167.07047	3.5
167.08450	1.9
169.05180	1.9
169.06480	7.0
171.02902	2.5
171.04420	3.7
171.08116	2.1
173.05974	3.2
174.06783	3.0
175.07529	18.1
176.04680	5.3
177.05423	8.3
177.09079	5.6
179.07031	8.7
179.08382	1.6
179.10645	2.6
181.06598	2.3
181.08562	10.4
181.51024	1.4
185.05841	2.0
186.06822	1.7
187.07552	8.4
188.04724	4.0
189.03929	9.9
189.09103	36.5
191.07021	64.6
193.08672	2.9
195.07976	3.7
195.10060	2.2
197.05992	7.1
199.07503	3.6
201.09117	5.4
203.07024	37.6
205.08595	6.6
207.10152	54.9
209.07999	2.5
211.07542	1.5
213.09113	4.4
214.06421	2.0
215.07014	9.5
217.08586	3.1
219.10170	4.6
221.09572	2.3
225.05400	2.1
225.09024	2.3
227.07018	2.7
227.10684	5.3
229.08614	15.4
231.04877	4.1
233.08092	18.4
237.03049	1.9
245.08179	2.0
247.09541	3.7
249.11209	5.3
255.10178	6.2
257.08090	13.4
259.09805	2.1
267.10336	1.9
273.11206	12.7
275.09116	8.4
275.12317	1.9
285.11246	6.1
287.12787	10.5
291.12311	11.1
293.10202	5.7
297.11246	5.6
299.12698	4.1
311.12766	3.3
313.14233	7.3
315.12119	2.8
325.14172	3.6
331.15378	44.0
343.15414	10.0
355.15259	4.1
361.09140	5.3
377.12646	1.7
379.10257	21.1
395.13474	3.7
419.13226	2.9
421.16360	5.2
439.17566	3.9
451.17618	2.8
482.07028	1.7
543.18323	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	29.2
61.02923	20.0
63.70769	4.3
65.03954	5.7
67.05503	70.2
68.05815	3.5
69.03426	15.3
69.07063	19.2
71.05003	9.4
73.02918	6.6
79.05491	68.2
79.05906	7.3
81.03419	16.5
81.07054	100.0
83.04945	7.2
83.08627	9.3
84.03006	3.5
85.02891	19.3
91.03944	9.8
91.05475	56.2
93.07047	55.9
95.04944	21.1
95.08613	37.1
97.02871	18.9
97.06500	10.4
99.08092	39.5
105.07030	35.1
107.04972	24.1
107.08571	27.9
109.06524	54.5
109.10149	14.6
110.06692	3.6
117.07046	19.0
119.08551	22.9
121.10139	21.4
123.04424	4.1
123.08071	10.3
123.11765	4.7
124.04198	3.9
127.07510	19.1
128.06290	5.5
129.07010	10.2
131.08592	21.6
133.06488	7.1
133.10146	15.4
135.08035	23.8
135.11717	18.8
137.09650	4.2
143.08566	10.5
145.06496	6.1
145.10103	18.6
147.08054	11.1
147.11716	10.2
149.09619	8.7
149.13243	7.6
155.08473	5.7
157.10110	11.5
159.08075	9.2
159.11713	15.4
161.09608	20.8
161.13190	6.8
163.11189	6.5
169.10199	3.9
171.11679	9.5
173.09698	7.1
173.13310	4.9
175.11198	8.7
177.12801	6.4
185.13132	5.5
191.10597	4.2
195.11787	4.7
196.10019	5.3
201.12807	6.2
217.15921	8.0
221.15411	8.9
234.37430	4.0
245.18953	6.8
255.17496	5.9
259.20599	8.2
261.22226	4.3
273.18484	88.6
275.20010	12.5
286.69177	4.7
289.56097	4.1
291.19608	30.2
294.72076	4.1
333.24191	4.5
335.25800	78.2
336.26364	4.0
347.22095	33.8
365.23203	10.0
391.50580	3.8
487.44678	4.2
579.38727	4.5
607.43347	13.1
625.44391	40.7
643.45636	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
56.19566	0.5
65.80510	0.6
67.05502	1.2
69.03408	1.8
69.07062	1.6
70.06591	11.5
71.05013	0.7
71.06916	0.8
71.60329	1.0
73.02905	0.7
74.06075	1.1
79.05487	1.3
80.05000	0.8
81.03425	0.8
81.07032	0.7
84.04502	2.6
84.08128	2.6
85.02895	2.3
86.09707	5.2
91.05453	1.4
93.05757	0.9
93.07031	2.4
94.06564	4.0
95.05023	0.8
95.07359	1.6
95.08589	1.1
96.08102	4.3
97.02914	1.2
106.06544	0.7
107.04989	0.7
107.07265	0.7
107.08553	0.8
108.04474	1.6
108.08109	6.5
110.06051	0.7
110.07169	1.5
110.09684	5.9
116.04981	1.9
120.04454	2.8
120.08099	8.8
122.06020	5.4
122.09679	0.9
123.35415	0.7
124.07596	5.3
130.06522	3.3
132.04430	0.7
132.08098	2.6
134.06042	2.8
134.82275	0.7
136.07565	10.0
136.08528	0.9
138.09132	7.5
144.04442	3.3
146.06001	5.7
148.07590	3.3
150.09065	1.3
152.07080	1.6
153.10155	0.7
158.09659	0.7
159.09200	4.4
160.03947	2.6
160.07617	0.8
162.05508	3.2
164.07086	1.1
166.08643	13.2
172.03928	22.3
174.05516	2.0
176.07079	2.3
182.09602	0.8
185.52663	0.7
190.04984	17.2
197.10716	1.7
199.12415	1.4
204.06548	39.3
205.06947	1.3
209.10872	1.3
210.09282	0.9
210.11394	0.7
211.08711	2.0
211.12267	0.9
212.09479	1.3
213.10178	0.7
221.10602	0.8
223.08618	0.9
223.12260	1.3
224.09366	1.0
225.10262	8.2
226.11179	1.3
227.11774	11.5
236.09547	1.4
236.36386	0.7
237.10284	2.4
238.11011	2.5
239.11743	3.4
241.09683	1.8
241.13354	1.2
249.10228	2.2
251.08061	1.1
251.11919	3.3
252.09067	0.9
253.09784	4.1
253.13330	0.9
255.11272	1.9
255.24800	0.7
263.08142	1.3
263.11728	0.7
264.09018	2.9
265.09702	1.6
267.11349	3.1
269.12866	14.4
271.10803	7.4
273.12421	3.1
277.09708	1.0
278.10461	0.8
279.11237	4.3
281.12845	1.1
283.10791	4.9
284.11624	4.4
285.12433	5.3
286.13110	1.2
287.13824	12.2
289.09882	0.8
294.10028	1.2
295.10812	1.6
297.12344	9.9
299.13943	4.6
307.10864	1.4
311.14130	0.7
312.14923	1.9
313.12329	1.7
314.13062	2.7
315.13751	1.2
316.14502	2.0
321.12421	1.1
323.10294	5.7
325.11792	16.8
325.15472	1.1
326.16818	1.0
327.13559	2.2
327.17255	1.2
328.10828	3.0
328.14536	2.3
329.11621	0.8
329.15302	1.8
330.15707	1.3
331.16910	1.5
339.13684	1.4
341.11786	2.5
342.12259	5.9
342.16080	1.2
343.12921	7.8
353.12518	0.8
354.16129	1.2
355.13470	2.0
356.13858	5.7
357.14417	18.1
358.15335	3.7
365.11444	0.8
366.15970	0.9
367.13382	0.8
368.13864	1.5
369.15073	0.8
370.15399	4.1
371.16122	2.2
372.17172	1.2
378.18137	1.1
380.14059	1.0
381.14474	0.8
382.11975	3.0
383.12720	2.7
384.13141	4.0
384.17563	1.1
385.14297	2.5
386.14764	1.6
386.19012	4.0
388.16751	0.9
390.18185	3.5
394.15817	1.2
397.14447	1.2
398.15015	15.9
398.19989	1.1
399.15775	24.1
400.16397	2.2
402.18289	2.0
404.15964	5.2
412.16638	2.4
414.18124	4.1
416.16058	16.9
417.16647	1.2
422.16791	2.4
428.15869	3.2
430.17542	3.4
440.16028	5.6
446.17136	8.9
458.17093	26.0
459.17599	1.0
460.19287	0.9
471.77582	0.8
478.20007	1.9
487.17099	8.3
490.19656	10.0
519.20123	1.1
539.26563	1.3
567.25940	1.8
569.24286	3.4
583.25873	1.5
593.23877	5.0
611.24976	100.0
612.25305	2.1
625.25775	0.9
643.27728	13.9
745.30554	1.4
755.28979	1.2
773.30194	23.8
774.30377	0.8
805.33356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
59.63689	0.3
61.02909	0.6
65.03655	0.4
65.03939	4.4
67.05510	2.0
69.03139	0.4
69.03423	4.1
71.19623	0.5
73.02919	0.7
75.04478	0.3
75.75175	0.3
78.04701	3.3
79.05485	3.0
81.03410	2.1
81.07053	0.8
82.04197	1.9
85.02427	0.5
85.02901	6.7
86.09654	0.4
87.04451	0.3
89.03885	0.6
91.04961	0.5
91.05480	5.5
93.03380	0.9
93.07030	0.8
94.04195	0.6
95.04958	3.4
96.05765	0.4
97.02893	2.1
97.06500	1.4
99.04446	0.5
103.05469	2.9
105.07008	1.2
106.04195	1.6
106.04781	0.4
107.04292	0.4
107.04957	5.8
108.02087	0.9
109.02856	1.2
110.03660	2.2
111.04469	1.6
115.05447	6.8
116.06256	0.6
117.06210	0.6
117.07011	9.9
117.07841	0.6
119.04929	0.9
119.08546	0.6
121.06510	2.8
122.03645	0.8
123.04432	8.3
123.85420	0.4
124.05212	3.0
125.05984	2.2
127.03906	0.7
127.05437	1.1
128.06204	0.4
129.06973	0.5
130.04068	0.4
131.04919	3.2
132.05664	0.8
133.06467	0.9
134.03622	0.9
135.04414	1.4
137.05954	3.0
138.03070	1.1
139.07513	0.5
140.04671	1.3
140.52734	0.3
142.02599	1.6
143.04884	1.3
144.05672	0.7
145.02850	0.7
145.06480	16.5
145.93295	0.4
147.04424	0.7
147.08023	1.2
148.05167	1.1
149.05962	3.8
151.03929	1.9
151.07513	1.6
152.04657	2.3
153.05438	1.4
154.19077	0.3
155.06026	3.6
155.07028	0.6
157.06369	0.4
159.04417	1.3
160.05202	1.2
161.05962	2.0
163.03940	2.1
163.07478	0.5
165.05518	1.8
165.06761	0.4
166.02637	0.4
167.07033	100.0
168.07417	1.0
171.06546	5.2
172.05144	0.8
173.05981	22.2
174.06709	0.6
175.07494	2.8
176.04680	0.8
177.05478	4.5
179.07037	0.7
181.04950	76.1
182.05312	1.0
183.06480	0.5
188.04701	0.8
189.05510	0.5
190.06265	0.5
191.07030	3.3
192.07761	0.4
193.04964	0.5
193.08597	1.0
194.07259	0.7
195.06508	1.5
197.08185	0.4
201.05444	2.8
203.07010	5.5
205.06693	0.3
205.08574	6.8
207.06502	0.9
207.10185	0.6
209.08069	3.7
209.09695	0.5
213.05536	0.4
216.04053	0.4
217.08533	0.8
219.06371	3.1
219.08011	0.5
220.07173	0.5
221.06056	0.5
221.08086	1.4
222.06763	0.7
225.52089	0.4
231.06427	1.6
233.05785	0.8
233.08054	10.7
234.06787	0.5
234.08856	3.2
235.07527	0.7
235.09631	7.6
237.02869	0.5
237.09123	0.4
245.08104	0.6
247.07518	0.5
249.05421	0.5
249.07607	0.5
250.06212	0.9
251.06967	0.5
254.09421	0.8
259.09595	0.5
263.06744	0.5
263.09280	0.6
264.07761	0.9
265.05142	0.3
265.08603	1.5
266.09219	0.3
267.06479	0.7
267.10245	0.6
269.18066	0.3
271.09750	0.4
273.07895	0.4
278.05890	0.4
278.88910	0.3
282.08841	0.8
283.09680	1.0
291.06412	0.4
292.07333	0.6
293.08057	2.0
294.08975	0.5
295.06134	0.5
295.09518	0.7
296.10178	0.5
297.11081	1.6
299.09155	0.8
301.43338	0.4
307.09604	0.8
309.07700	0.7
310.08310	2.4
311.09143	0.5
323.09174	0.5
325.10706	2.6
326.11514	1.0
327.08673	0.7
329.13904	1.2
337.06924	0.4
337.10852	1.0
338.08005	0.5
342.11075	1.1
345.13333	0.5
353.10065	1.4
354.10919	0.7
355.11826	0.8
357.13297	10.4
358.13495	0.5
365.10239	1.2
367.11887	1.1
371.14551	0.6
381.12912	0.4
383.10910	0.8
384.12213	0.5
385.12805	36.5
386.13364	1.4
387.14325	4.3
397.12778	6.1
399.14600	1.2
403.13953	4.4
415.13858	8.2
416.14624	4.4
417.15417	10.9
545.17834	0.5
577.19910	1.7
579.21265	0.5
595.21332	1.4
607.20850	0.4
625.23022	0.8
643.23810	46.4
644.23944	1.0
738.78113	0.4
805.29291	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	805.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.0
61.02903	0.6
65.03611	0.4
65.03938	4.6
67.05504	1.9
69.03423	3.9
69.07060	0.4
69.55614	1.6
69.56037	1.0
70.06562	0.4
71.04954	0.4
73.02886	0.8
78.04316	0.4
78.04708	4.1
79.05093	0.4
79.05480	3.0
81.03415	1.7
81.07028	0.6
82.00527	0.3
82.04180	1.7
85.02426	0.5
85.02893	6.9
87.04438	0.4
89.03913	0.5
91.05473	4.1
93.03396	1.7
93.07020	1.1
95.04964	4.0
96.05722	0.4
97.02885	2.4
97.06520	1.6
98.20690	0.6
99.04440	0.5
101.02392	0.8
103.05453	4.1
105.03366	0.8
105.04484	0.4
105.06990	1.1
106.04180	2.2
107.04951	5.4
108.02099	0.6
109.02856	0.9
110.03657	2.2
111.04438	1.1
115.05442	7.8
116.06235	0.5
117.03319	0.6
117.06212	0.5
117.07008	9.2
118.04124	0.6
119.04932	0.6
121.02860	0.5
121.06515	3.3
122.03636	0.5
123.00726	0.6
123.04423	9.7
124.05214	3.6
125.05994	2.1
127.03889	0.7
127.05444	1.3
128.06206	0.5
129.06944	0.5
130.04140	0.7
131.04929	2.9
132.05687	1.0
133.06435	1.0
134.03622	0.8
135.04385	1.3
137.05949	3.4
138.03062	1.4
140.04628	1.2
142.02596	1.4
143.04890	1.2
144.05667	0.9
145.02834	0.5
145.06470	16.8
145.07622	0.8
147.04391	1.0
147.08037	1.4
148.05173	1.2
149.05962	4.5
151.03896	2.0
151.07518	1.0
152.04671	2.4
153.05469	1.1
153.09071	0.4
155.04967	0.4
155.06035	3.4
155.07115	0.5
157.06506	0.4
159.04366	1.4
159.24091	0.3
160.05168	1.5
161.05994	2.1
163.03883	2.0
163.07481	0.8
165.05460	1.3
166.06256	0.4
167.07025	100.0
168.07413	1.0
171.06535	5.7
172.05247	0.5
173.05971	21.8
174.06622	0.6
175.07532	2.6
176.04720	0.7
177.05434	4.1
177.09158	0.4
178.06097	0.3
179.07033	0.9
181.04942	75.9
182.05334	0.7
183.06573	0.6
185.35191	0.4
188.04724	0.9
188.06387	0.3
189.05492	1.0
190.06244	0.6
191.07027	3.5
191.08582	0.5
193.04897	0.5
193.08597	1.2
193.99977	0.3
194.07281	0.6
195.06528	1.8
197.07980	0.4
197.52209	0.4
201.03828	0.5
201.05417	2.5
202.06178	0.4
203.06978	5.3
205.06662	0.6
205.08553	7.5
207.06439	0.7
207.08223	0.7
207.10144	0.7
209.06273	0.4
209.08083	4.1
213.05447	0.4
217.08604	1.1
219.06395	2.9
219.08243	0.4
221.06015	0.6
221.08076	1.7
222.06723	0.8
223.07539	0.6
231.06561	1.6
233.06003	0.6
233.08057	10.2
234.06651	0.6
234.08823	3.8
235.07544	0.7
235.09628	8.0
236.08258	0.3
237.09288	0.8
239.07091	0.5
245.08055	0.5
247.07642	0.4
249.05400	0.5
250.06270	1.5
251.07005	0.7
252.07768	0.5
253.08569	0.5
254.09409	0.7
261.05301	0.4
263.06873	0.5
263.09268	0.6
264.07977	0.4
265.08591	1.6
267.06613	1.1
267.10068	0.5
271.09561	0.4
276.07889	0.3
277.08682	0.4
278.05731	0.5
279.06360	0.5
280.07339	0.5
281.08127	0.5
282.08963	0.9
283.09671	0.8
293.08090	1.5
294.05557	0.4
294.08865	0.9
295.06088	0.7
295.09598	0.4
297.11151	2.2
298.11832	0.5
299.09116	0.8
307.09677	0.5
309.07590	0.6
309.11041	0.4
310.08340	2.0
311.08923	0.6
313.10712	0.4
314.08008	0.4
314.11618	0.5
321.07593	0.6
325.10715	2.7
326.11389	1.5
327.08838	0.8
327.12347	0.4
327.23370	0.3
329.13916	1.2
337.10550	0.6
341.10162	0.6
342.11060	1.0
353.10233	1.9
354.11157	0.7
355.11746	1.2
357.08923	0.5
357.13284	9.1
357.17465	0.6
365.10193	0.9
367.11957	0.9
369.13492	0.5
370.10614	0.4
383.11346	0.7
384.11972	0.4
385.12793	42.2
386.13300	1.7
387.14346	5.8
397.12848	6.9
399.14462	0.9
403.13947	5.3
415.13840	9.0
416.14633	4.7
417.15396	13.8
417.20999	0.7
473.12003	0.5
559.18964	0.5
577.19409	1.5
595.21320	1.3
613.21918	0.5
625.22107	0.5
643.23804	50.5
644.24139	1.5
805.29150	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	805.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58501	3.3
71.58934	3.5
73.20517	2.2
106.50396	2.4
156.97476	2.6
173.03105	2.6
174.98598	5.7
180.97459	3.6
185.02881	2.7
198.98550	100.0
210.98619	3.5
216.99609	50.3
221.05191	2.2
224.99953	2.6
228.99594	9.8
237.25932	2.2
240.99434	10.2
245.05067	7.3
247.00716	2.8
259.00516	9.7
271.00024	2.6
283.00461	6.9
301.01663	28.4
319.02579	11.6
402.97574	2.6
460.98950	3.2
463.06906	71.7
481.07693	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	804.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.7
61.02916	1.1
65.03945	0.8
65.97187	0.5
67.05486	2.3
68.86003	0.5
68.99772	1.2
69.03431	4.6
69.07056	0.8
70.06587	2.8
70.14608	0.9
70.14890	2.7
72.08131	0.7
72.81463	0.5
73.02897	0.9
79.05491	2.5
80.05000	1.1
81.03422	6.0
81.05794	0.6
81.07055	1.0
82.06587	1.3
84.04504	0.7
84.08131	1.5
85.02498	0.5
85.02911	7.2
86.09678	0.9
87.00824	2.0
87.30205	0.4
91.05476	2.9
93.05774	1.2
93.07047	6.3
94.06569	5.5
95.04932	1.3
95.07343	5.8
95.08566	1.2
96.08125	15.0
97.02891	3.6
97.06519	1.5
99.04442	1.8
102.05565	0.6
103.05463	1.7
105.01852	0.9
105.06960	0.8
106.06554	0.9
107.07349	2.5
108.08117	15.2
109.02872	3.6
109.08881	1.3
110.06053	1.5
110.09679	27.4
116.04933	0.9
117.01807	0.7
118.06551	0.7
119.04930	1.0
120.08103	21.5
121.06551	1.0
122.06062	2.9
122.09668	3.9
124.07577	3.5
126.81335	0.6
127.03912	5.6
129.01776	0.6
129.10249	1.0
136.07568	13.6
137.08348	1.8
138.05516	3.1
138.09140	38.0
144.04448	1.3
145.04974	1.1
146.06004	3.6
147.04417	4.4
148.07567	9.0
150.09129	14.3
152.07057	2.6
154.08632	1.5
159.02930	1.1
160.03934	0.6
163.03909	1.0
164.07030	0.8
166.05008	2.5
166.08638	100.0
167.08818	0.6
168.10240	1.1
172.03920	5.7
174.05475	1.3
178.08583	0.8
186.05606	0.7
190.04913	2.5
192.06509	0.9
196.07693	0.6
196.09785	0.9
198.07591	1.3
199.08670	0.7
204.06558	7.3
204.10207	1.7
206.08188	1.2
209.10802	0.7
211.08640	2.7
211.12372	0.6
213.10100	0.9
222.07640	1.0
222.98119	0.5
223.08638	2.9
224.09436	1.4
225.10165	4.3
226.11064	0.6
227.08151	2.9
227.11757	1.1
231.05058	0.7
235.08624	1.3
236.09428	0.7
237.06625	0.8
237.10229	17.6
238.08890	0.6
238.10999	2.0
239.08168	6.4
239.11827	3.6
240.08868	0.5
241.09692	5.1
243.11330	1.0
247.08545	1.0
248.09380	0.9
249.10251	1.2
250.07446	0.8
251.08119	6.0
251.11896	0.6
252.08904	1.5
253.09721	14.0
255.07755	0.8
255.11295	4.3
257.09348	0.6
264.08923	1.0
265.09714	32.3
266.07465	0.9
266.10522	2.7
267.07715	3.9
267.11292	8.8
268.08548	0.6
269.09140	2.5
269.12338	0.5
271.10684	1.0
277.09622	1.2
279.07608	3.0
279.11005	0.9
280.08475	0.8
281.09222	17.8
282.09930	0.7
283.10773	14.1
285.11993	0.6
287.10291	2.7
293.09195	24.6
294.09967	1.2
295.10745	17.5
297.08862	1.2
297.12366	2.2
299.10211	7.3
299.13538	0.9
301.12012	1.5
307.10767	1.1
309.08731	4.5
309.12115	0.8
311.06534	1.1
311.10248	22.6
312.10831	0.6
313.11798	2.4
315.13660	0.7
321.05182	0.6
321.08685	13.8
325.11829	4.9
327.09760	20.0
327.13263	1.3
330.12378	1.1
331.13196	0.9
339.09750	46.7
340.10300	0.7
341.11346	4.4
343.13043	2.2
344.13934	1.4
346.15396	0.6
353.11322	8.9
357.10641	0.8
357.14563	1.9
358.15674	0.9
359.12357	34.1
360.17215	0.7
371.12384	39.1
372.13025	1.2
384.13016	0.8
385.14145	0.8
386.14981	1.1
388.16541	1.9
400.16635	2.0
403.15356	0.6
414.13968	1.3
418.17645	7.1
428.16074	1.5
430.17493	0.7
436.18561	2.1
446.17123	7.4
448.18832	4.0
464.18161	12.0
465.18115	0.6
474.16705	5.1
478.19833	1.3
480.10315	0.8
480.21298	1.7
492.17670	96.2
493.17743	1.7
496.21268	0.8
506.19211	12.2
510.18744	2.7
524.20288	95.5
525.20123	1.2
534.18848	0.8
556.23505	0.7
573.16986	2.8
722.21484	0.7
740.23218	6.3
754.24738	0.8
772.25531	3.8
803.37878	0.7
804.39722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.2
56.96568	1.2
58.06594	1.1
65.03926	1.5
67.09961	0.2
68.39913	0.2
69.03410	0.3
69.31744	1.5
69.32169	0.6
70.06567	1.0
72.08156	1.3
74.48651	0.2
79.05468	0.3
84.08139	6.4
89.03902	0.9
91.05475	10.5
94.44370	0.2
95.04946	0.3
98.09663	0.5
103.05466	0.2
106.53444	0.2
107.04938	0.9
110.09663	1.0
112.11237	16.8
117.03365	0.8
119.04936	22.7
119.95858	0.2
120.05244	0.4
123.04353	0.4
129.13869	13.0
130.14178	0.2
131.04892	0.4
135.04417	2.4
137.05931	0.5
145.02815	2.7
147.04399	100.0
148.04720	1.5
155.11786	2.8
160.07553	0.2
162.05582	0.5
163.03897	36.3
164.04234	0.6
167.06999	0.5
181.04988	0.4
198.84088	0.2
203.11786	5.5
204.10188	62.1
205.10498	1.5
214.36070	0.2
218.11668	1.3
219.11250	3.3
220.09673	38.1
221.09973	0.5
229.20193	0.3
230.94615	0.2
237.02635	0.3
275.17514	20.1
276.17941	0.5
291.09048	0.3
291.17010	12.0
292.20251	0.2
293.10486	0.6
311.11789	0.3
337.09738	0.4
349.25903	1.4
365.25656	0.4
375.23779	0.3
421.21368	0.6
437.20709	0.7
477.28482	0.5
478.27097	1.9
493.27951	1.2
494.26566	1.9
495.29785	2.7
511.29144	1.9
521.27759	0.6
537.27142	0.4
561.18396	0.6
623.32275	0.3
624.30792	0.7
639.31702	12.4
640.31042	1.3
641.13776	0.8
641.33301	14.6
642.33527	1.3
657.32758	71.2
658.33191	3.6
803.36865	1.9
830.39868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.2
63.36697	0.7
69.65735	5.7
70.21844	0.8
77.91991	0.8
81.07059	1.0
91.05596	0.7
93.07027	0.8
95.73983	0.8
121.31074	0.7
313.27481	0.9
554.41217	0.9
800.53503	1.6
801.36597	100.0
802.37122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.9
61.02912	3.3
67.05502	5.1
68.99778	2.0
69.03426	18.0
69.07053	4.2
69.81890	1.0
70.06596	1.6
71.01357	1.3
71.04989	6.0
72.08131	1.1
73.02911	5.0
79.05486	7.1
81.03412	17.3
81.07051	16.0
83.04974	7.2
83.08630	1.9
85.02901	35.7
85.06531	2.8
87.00823	14.5
91.05457	3.8
93.07043	17.8
95.04978	8.0
95.08602	16.6
97.02895	17.8
97.06517	13.6
98.21484	2.6
99.04447	16.9
105.01855	14.6
105.07037	11.3
107.04953	3.9
107.08597	9.4
108.04452	2.0
109.02876	26.7
109.06526	11.0
109.10150	2.3
111.04410	1.8
111.08080	6.8
113.06018	2.6
117.01819	1.8
117.07024	1.8
119.08569	6.0
121.06503	34.1
121.10165	2.6
123.04399	2.1
123.08042	2.7
123.11702	3.2
125.06000	7.8
127.02959	1.8
127.03909	33.4
127.07540	4.7
129.01828	2.6
129.06987	1.4
131.08553	1.6
133.06456	1.6
133.10085	7.7
135.04436	2.5
135.08052	3.4
135.15428	1.0
137.05942	2.8
139.07538	8.2
143.07050	7.3
143.08517	3.0
145.04977	7.3
145.10097	2.7
147.08006	2.2
147.10626	1.8
147.11688	20.5
151.03891	1.5
151.07631	1.1
151.11148	1.9
156.09308	1.2
157.08578	5.4
157.10101	4.8
159.02887	5.0
159.06493	6.6
161.05913	1.4
161.13260	5.4
163.03909	4.4
163.14844	1.3
164.07315	1.2
165.12769	4.9
169.04933	2.7
169.12199	7.5
171.11710	5.9
175.11168	14.6
181.10092	2.2
184.08994	1.6
189.03929	2.8
189.12762	10.5
193.05125	1.2
193.12227	14.9
199.11176	14.8
207.13809	8.6
211.13261	12.7
213.03998	8.0
217.12219	40.2
225.14890	1.6
229.14287	7.5
229.27440	1.3
231.04988	8.4
235.13283	59.1
237.02722	1.4
237.11200	1.5
249.06039	3.5
253.14343	100.0
271.15399	33.3
271.17624	0.6
273.06030	7.3
289.16440	47.7
339.07025	2.5
412.19736	1.1
420.83133	1.2
443.08337	1.4
461.09460	3.0
483.18292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.3
60.57813	0.2
61.54901	0.2
64.58376	0.2
69.03419	0.6
70.06577	0.7
70.48521	0.2
79.05471	0.2
81.03389	0.2
81.07039	0.2
85.02897	0.8
86.86684	0.2
91.05468	0.5
93.07018	0.4
95.08575	0.3
97.02878	0.3
98.97589	0.5
102.96871	0.3
105.07024	0.8
107.08601	0.9
116.98621	0.6
117.06994	0.2
119.01908	1.3
119.08589	0.8
121.10150	0.3
127.03902	0.2
131.01889	0.3
131.08549	0.7
133.10130	3.1
134.10463	0.6
134.99660	0.3
137.02870	0.3
137.05934	0.5
138.98886	0.3
143.01930	0.6
145.03447	0.4
145.04881	0.2
145.10075	0.4
145.26434	0.2
147.11684	0.4
149.13350	0.3
153.01776	0.2
157.09972	0.2
161.02963	1.9
161.05942	0.2
171.05037	0.4
173.02948	0.4
173.13255	1.2
174.03757	0.3
177.00711	0.4
184.04614	0.2
191.14319	1.5
192.14603	0.3
213.00652	0.3
237.02811	0.3
267.14423	0.5
271.01239	0.2
273.13409	1.1
276.11798	0.2
291.14362	2.9
303.04974	0.5
303.14343	0.4
309.15491	0.7
327.10928	0.2
344.29691	0.2
375.16385	0.3
393.18167	0.3
408.69153	0.4
409.19199	0.3
410.18604	0.4
410.68951	0.4
411.19870	100.0
412.20184	1.8
429.19644	1.0
799.38934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
61.02926	7.8
67.05504	6.9
69.03426	5.0
69.07056	1.5
71.01357	0.6
71.05000	0.9
71.19064	0.9
73.02913	6.1
73.84834	0.4
79.05482	5.0
81.03428	2.2
81.07056	7.2
83.08645	0.6
85.02901	7.6
87.04444	0.6
91.03952	4.6
91.05467	3.1
93.07043	6.0
95.04959	0.6
95.08601	5.1
97.02892	7.8
99.04473	0.8
101.02375	2.5
105.06412	0.4
105.07009	2.4
107.08578	2.8
109.02894	1.4
109.10149	2.0
111.99837	0.3
115.03957	0.7
117.07003	0.6
119.08589	1.7
121.10161	2.5
123.11742	0.6
127.03902	2.2
131.08575	1.2
133.10162	0.9
135.11716	1.3
145.04910	0.3
145.10178	0.9
147.11687	0.4
149.13297	0.4
154.30527	0.3
159.11682	0.5
161.13280	0.4
185.04240	1.0
203.05241	0.7
243.08421	2.7
335.25931	1.0
385.16080	0.4
438.61896	0.4
497.31580	0.5
519.29279	15.0
519.37079	0.8
520.30365	0.5
607.21899	0.4
797.51678	100.0
798.52063	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	797.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.5
57.07065	3.7
60.36311	1.8
61.02917	14.2
67.05502	15.8
69.03410	5.8
69.07080	10.7
71.11809	1.6
71.12154	3.4
73.02931	7.4
79.05499	11.3
79.71252	1.5
81.03416	3.0
81.07059	33.8
83.01371	1.6
83.08608	5.6
85.02904	44.7
91.03970	11.4
91.05466	9.2
93.07042	25.4
95.01328	36.2
95.04955	2.2
95.08607	67.0
97.02904	16.3
97.10168	4.0
99.00796	2.5
103.03895	3.3
105.07030	25.6
107.08595	45.7
109.06483	2.5
109.09460	3.2
109.10160	48.1
111.08080	11.7
111.68514	2.1
113.02386	2.8
115.15447	1.7
119.08585	33.7
121.10135	34.8
123.11711	18.1
125.09649	2.4
127.03915	9.5
131.03365	1.8
131.08588	8.3
133.10136	30.9
135.11676	26.3
137.13240	6.2
139.11157	5.5
141.01828	85.7
143.08524	2.8
145.04935	13.3
145.10121	13.9
147.11684	21.4
149.13258	18.1
151.11090	2.3
157.10068	2.7
159.02855	16.7
159.11694	19.0
161.13249	24.4
163.06004	24.1
163.11188	1.9
163.14809	20.5
165.12846	3.8
167.14308	2.6
171.11693	3.2
173.13228	12.2
175.14821	20.8
177.03935	4.5
177.12782	2.3
177.16368	15.9
179.17984	2.0
187.14803	10.2
189.16373	20.2
191.14281	1.9
191.17976	8.1
193.15891	7.0
195.17372	7.4
199.14665	2.7
201.16408	17.9
203.17955	34.2
205.15852	6.2
205.19612	2.9
207.17378	9.5
213.16458	4.8
215.17998	16.3
217.15918	4.9
217.19499	17.9
217.69092	1.6
219.17503	14.0
219.88249	1.9
221.18996	13.3
227.17952	6.8
229.19482	15.9
233.18956	11.6
241.19537	4.0
243.21103	4.9
245.19125	3.8
247.20555	13.6
255.20990	4.4
257.22565	5.0
259.20471	3.3
261.22122	4.7
269.22656	3.5
271.24207	2.3
273.22012	2.0
275.23651	4.6
281.22656	1.6
285.22107	1.8
295.23895	2.2
297.25900	2.0
301.25186	2.1
313.25168	2.1
315.26886	4.4
329.28693	2.5
365.32129	3.2
383.32993	7.1
405.35205	15.1
411.36224	3.3
423.36200	100.0
424.36435	4.6
441.37311	77.6
442.37454	2.1
581.38226	5.1
599.39166	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	797.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
57.07061	3.7
61.02637	1.2
61.02924	17.0
67.05499	17.5
68.36320	0.6
69.03421	5.4
69.06711	1.3
69.07062	13.3
69.26379	7.4
70.06594	1.0
71.01340	2.3
71.04977	1.1
71.08603	0.9
73.02911	11.2
73.77724	0.6
77.03890	0.6
79.05489	10.5
81.03398	2.9
81.07054	35.9
83.01321	1.2
83.04956	1.1
83.08611	7.6
83.80720	0.7
85.02898	48.4
85.06533	0.7
91.03061	0.8
91.03944	16.5
91.05469	9.6
93.07040	29.2
95.01325	37.0
95.04959	2.3
95.08601	82.8
96.08904	1.2
97.02885	20.1
97.06549	1.7
97.10168	4.6
99.00809	3.0
99.04420	1.0
99.08109	0.9
101.02374	1.9
103.03940	3.8
103.05432	0.6
105.07027	26.0
107.04940	2.6
107.08589	51.7
109.02905	1.9
109.06528	1.9
109.10151	56.3
111.08076	14.0
111.11723	1.9
113.02357	4.9
113.09621	0.7
115.03922	2.2
115.05366	0.7
117.07019	2.9
119.08573	36.3
121.10138	41.0
123.00805	1.8
123.08057	1.0
123.11701	21.1
125.09608	2.5
127.03905	12.5
129.07004	1.1
131.03391	3.2
131.08557	11.0
133.10126	36.8
135.11693	29.6
137.09641	1.6
137.13249	6.1
139.11191	7.9
141.01819	100.0
143.08577	3.3
144.09300	0.7
145.04958	13.8
145.10115	19.8
147.11674	27.5
149.13251	26.8
149.14488	1.0
151.11191	1.9
151.14789	1.2
153.12674	1.5
155.08597	0.8
157.10118	5.2
159.02893	15.0
159.11674	18.7
159.54495	0.8
160.12425	0.9
161.13249	27.4
163.06010	19.5
163.11208	2.7
163.14813	23.5
165.12747	4.4
167.14340	1.2
171.11642	4.7
173.13246	14.8
175.14822	22.3
177.03940	4.8
177.12764	2.2
177.16382	20.9
179.14275	1.3
179.17920	1.4
181.16087	0.8
185.13203	4.5
186.14130	0.7
187.14827	13.0
189.16382	22.4
191.14308	2.5
191.17937	12.7
193.15866	5.8
195.17432	8.6
199.14786	4.9
201.16370	21.8
203.17940	39.2
204.18286	0.8
205.15828	7.7
205.19406	3.9
206.68404	0.7
207.17422	10.0
211.14809	1.4
213.16379	4.2
215.17928	18.9
217.15945	2.5
217.19493	19.3
218.20024	0.6
219.17426	14.1
219.20889	1.5
221.18999	13.4
225.16255	1.1
227.17940	7.0
228.18546	0.7
229.19502	19.5
231.17462	1.6
231.21051	2.3
233.19000	11.2
235.20590	2.4
239.17996	0.9
241.19568	3.5
243.21092	7.5
245.18968	3.2
245.22627	1.1
247.20580	12.7
253.19559	2.2
255.21005	4.1
257.22626	4.5
259.20651	2.2
261.22058	4.5
267.21143	1.9
269.22614	4.4
271.20520	0.9
271.24161	2.0
273.22141	2.1
275.23746	2.9
281.22501	1.4
283.24200	2.5
285.05991	0.8
285.22070	1.4
287.23660	2.4
295.24164	2.1
297.25775	2.5
301.25217	2.0
311.27402	1.6
313.25348	2.9
315.26819	4.6
321.07904	1.0
325.28925	1.0
327.26636	1.3
329.28409	2.7
339.09238	0.8
351.17871	0.8
351.30365	1.4
365.32025	5.9
369.31339	1.6
379.21301	0.8
381.31696	0.9
383.33063	7.3
393.35306	0.9
405.35202	16.5
411.35852	3.6
423.36188	92.2
424.36594	1.9
441.37274	67.6
442.37720	1.5
472.74384	0.8
545.35175	0.7
563.37646	1.0
581.38422	5.2
599.39404	12.0
617.39795	1.4
797.42401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.0
71.13282	1.8
71.13617	0.7
82.03354	0.7
172.56725	0.8
267.09067	1.9
285.10083	2.1
485.17136	1.5
517.20435	1.1
691.40466	2.6
795.42847	100.0
796.43365	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4524
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03429	2.3
57.07066	2.0
61.02923	19.5
65.03952	0.6
67.05503	10.0
68.37386	0.5
68.99759	0.7
69.03426	4.1
69.07066	7.7
71.01347	1.8
71.05005	0.9
73.02913	9.6
77.34503	0.5
79.05488	6.9
81.03435	1.2
81.07054	22.9
81.53219	0.5
83.01333	1.0
83.04977	2.4
83.08608	4.4
85.02900	38.9
86.48567	0.5
91.03957	18.9
91.05470	7.2
93.07041	23.3
95.01326	30.5
95.04952	2.0
95.08603	52.6
97.02892	17.7
97.03512	1.0
97.06527	6.8
97.10179	2.5
99.00818	2.4
99.04460	1.8
99.08083	1.2
101.02360	2.0
102.59077	0.5
103.03942	3.8
105.07030	19.6
107.08592	32.2
109.02846	1.3
109.06510	2.2
109.10150	26.4
111.08083	8.6
111.11749	1.2
113.02349	5.0
113.09631	1.3
115.03944	1.5
117.05503	0.8
117.07001	1.9
119.08575	29.7
121.06515	0.6
121.10135	26.2
123.00735	1.6
123.08052	1.4
123.10819	0.7
123.11707	10.0
125.09603	3.3
127.03918	10.1
129.06995	1.3
131.03375	3.2
131.08559	11.2
133.10135	23.0
135.11690	21.1
137.09618	1.5
137.13280	2.8
139.11176	14.6
141.01822	81.8
142.02115	0.6
143.08565	3.9
144.09349	1.6
145.04953	11.6
145.10117	15.7
147.11684	17.4
149.09637	0.8
149.13251	23.3
151.11194	2.8
151.14871	0.9
153.12781	0.7
155.08568	1.5
156.09404	0.7
157.10141	7.0
158.10870	0.7
159.02898	13.2
159.11688	19.0
161.13249	20.7
163.06012	23.6
163.11172	4.7
163.14818	8.7
165.12741	4.3
167.14331	1.2
169.10162	1.9
170.10983	0.8
171.11696	5.9
173.11758	0.7
173.13261	14.6
175.11263	0.6
175.14828	16.9
177.03960	3.5
177.12823	3.0
177.16376	13.5
183.11693	2.2
184.12587	1.0
185.13239	6.4
187.14812	12.8
189.12796	1.1
189.16382	11.3
191.14339	3.4
191.16513	0.7
191.17941	4.8
193.15836	4.7
195.17455	4.6
197.13249	2.1
199.14851	8.5
200.05676	0.6
201.16379	20.5
203.14337	2.2
203.17949	14.0
203.19730	1.1
205.15855	8.8
205.19511	0.8
207.17410	5.8
209.13316	0.7
211.14818	2.5
213.16389	7.3
215.14642	0.7
215.17953	14.8
217.15807	3.4
217.19455	5.9
219.17427	18.4
221.18994	1.8
225.16364	3.1
227.17938	13.1
229.19553	3.4
231.17448	5.7
233.18970	4.8
239.17914	3.4
241.19461	2.5
243.17542	1.8
243.21170	2.0
245.19011	25.1
247.20636	1.9
251.18008	0.6
253.19493	2.4
255.21077	4.7
257.19009	3.0
257.22638	0.7
259.20575	4.4
261.22372	0.7
265.19604	0.8
267.21103	2.0
269.19128	1.1
269.22665	3.9
271.20526	4.5
273.22171	8.2
279.21191	1.0
281.22705	2.2
283.20560	1.7
283.24127	0.8
285.22107	4.9
287.23672	1.6
293.22708	0.8
295.24219	2.1
297.22131	0.8
299.20657	0.9
299.23630	3.9
301.25381	0.7
309.25967	0.6
311.23709	1.7
313.25266	4.2
321.08167	1.1
323.27051	0.7
325.25305	1.1
327.26828	1.8
339.09149	0.6
340.79980	0.6
351.17996	0.9
363.30661	3.5
365.19623	0.9
379.30045	1.3
381.31512	9.7
403.33585	5.3
409.34650	7.0
421.34637	61.9
422.34958	1.0
439.35712	100.0
440.36044	1.8
457.36804	1.6
579.37439	1.4
597.37854	9.2
795.43231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.05510	15.2
57.03438	10.9
57.07063	2.5
59.75667	0.6
61.02909	3.1
61.78273	0.6
65.03925	3.0
67.05502	62.1
69.03425	0.8
69.06712	1.1
69.07064	14.0
69.79057	0.6
70.23669	0.7
71.04979	1.5
71.88911	0.6
73.02919	1.3
77.01640	0.6
79.05488	38.6
81.03430	1.0
81.07053	60.4
83.04964	1.2
83.08607	7.4
85.02888	2.8
85.06523	1.9
85.76314	0.6
91.03945	1.2
91.05476	23.0
93.07043	47.6
95.04958	5.2
95.08603	48.8
97.02888	1.2
97.06505	2.8
97.10144	2.5
98.21469	2.2
105.04513	1.2
105.07024	17.5
107.08593	24.7
108.17616	0.6
109.06532	2.3
109.10147	22.4
111.08054	1.7
111.11720	1.3
117.07009	6.1
119.08576	16.7
121.10139	24.5
123.08071	1.3
123.11703	7.0
125.09570	1.1
129.06999	1.5
131.08568	12.7
133.10123	12.6
134.99190	0.7
135.11691	15.9
137.13235	4.4
138.23013	0.7
139.11166	1.1
143.08562	2.1
145.10120	10.6
147.11684	9.8
149.09514	0.9
149.12125	1.1
149.13249	7.7
157.10155	1.7
159.11693	9.0
161.13254	7.7
163.14781	5.8
165.12869	0.8
171.11647	2.0
173.13243	7.6
175.14903	2.4
177.16402	0.9
179.14301	0.8
185.13254	2.5
187.14810	3.7
189.12720	0.7
198.19936	0.7
199.14772	1.7
201.16437	1.3
205.15932	0.9
229.19527	0.8
231.21069	1.3
241.19508	2.9
243.21066	5.1
259.20563	7.9
261.22101	19.6
263.23624	1.6
265.21515	0.8
273.22171	1.0
275.19952	0.8
299.23743	1.1
317.24832	3.2
333.24213	5.9
335.25787	100.0
337.27338	10.1
353.26978	0.9
521.43530	2.1
595.47211	14.6
613.48151	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	792.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03434	0.2
60.47050	0.1
68.99785	0.2
69.03431	2.3
69.26152	1.3
70.06582	0.4
71.01337	0.3
71.04979	0.3
77.96541	0.1
79.05496	0.3
80.93961	0.1
81.03415	4.6
81.47824	0.1
84.08138	0.1
85.02910	1.8
86.09716	0.2
91.05491	0.2
95.04957	0.6
97.02895	2.5
98.21477	0.3
99.04449	0.8
105.03396	0.2
105.07047	0.2
107.01328	0.2
107.04953	24.5
108.04479	0.4
109.02883	3.3
110.07135	0.1
111.04434	0.1
115.05486	0.1
127.03918	4.9
131.04927	0.2
131.08585	0.2
137.02341	100.0
137.03284	3.5
138.02650	0.6
141.07030	0.3
143.08598	0.1
144.05670	0.2
145.04973	0.8
145.06480	0.2
151.03905	2.1
152.47476	0.1
153.05498	0.8
155.03369	0.2
159.08119	0.2
160.03537	0.1
169.06487	0.5
171.07951	0.2
171.11748	0.2
173.05978	0.3
179.03407	2.1
183.02892	0.2
185.05957	0.1
187.07544	0.4
197.05940	1.1
199.07613	0.1
205.04967	0.2
215.07047	2.3
217.12241	0.2
227.65616	0.1
233.08151	0.2
243.06528	2.7
251.00258	0.1
261.07562	0.9
263.05475	0.6
279.08612	2.0
281.06619	0.3
291.04984	2.1
291.08176	0.2
297.09659	0.4
309.06009	1.3
327.07065	0.2
369.09586	0.1
379.08176	0.2
397.09222	3.3
425.08762	0.7
443.09680	0.5
461.10712	0.5
742.37610	0.1
781.32251	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	791.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.2
66.34896	0.1
69.38276	0.2
69.38676	1.0
71.95231	0.4
72.96011	0.4
74.97594	0.2
76.67714	0.1
84.96003	0.1
86.55498	0.1
89.91028	0.1
98.97577	4.7
110.97583	0.2
116.97811	0.2
116.98613	3.8
128.98560	0.4
134.99660	1.6
141.02229	0.1
146.99612	0.4
150.84183	0.1
154.06750	0.1
155.03748	0.2
158.99643	1.4
170.99614	0.1
177.00694	2.1
179.89389	0.1
189.00681	0.2
195.06889	0.2
197.08499	0.2
200.02090	0.1
213.08012	0.1
217.48674	0.1
223.09868	0.6
225.07895	0.1
225.11540	0.1
227.09474	0.1
227.81642	0.1
229.07512	0.2
235.09972	3.6
237.02710	0.1
241.11098	4.4
247.08447	0.1
253.11090	39.9
254.11497	0.4
255.12364	0.1
259.12155	8.2
264.12738	0.3
269.10403	0.2
271.12143	30.9
272.12482	0.2
273.13675	0.1
276.12689	1.8
282.13727	0.2
289.13187	0.7
294.13782	1.1
295.12143	5.0
313.13196	3.5
325.13187	0.4
331.13971	0.1
336.14761	0.2
355.14145	0.2
367.92349	0.1
415.16345	100.0
416.16714	1.3
474.28439	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	790.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.6
57.03421	19.1
61.02905	7.4
63.15400	4.6
67.05506	89.3
69.07073	26.0
69.96316	28.2
72.10503	6.2
79.05491	74.0
81.07053	93.8
83.08618	6.8
85.06541	7.9
91.05477	87.0
93.07040	69.9
95.04950	10.1
95.08601	61.5
97.06499	6.2
98.20803	6.3
105.07021	59.1
107.08593	44.5
109.10139	23.2
111.08034	5.2
117.07014	23.2
119.08563	52.5
121.10097	30.6
123.11676	5.8
129.06984	13.4
131.08575	31.0
133.10150	32.7
135.11674	16.1
143.08560	10.0
145.10106	17.1
146.21362	6.0
147.11664	19.0
149.09546	6.8
149.13231	14.1
157.10098	7.8
159.11661	18.0
161.13235	38.5
163.14821	8.6
171.11708	12.2
173.13264	19.4
175.14825	26.1
185.13252	14.5
199.14720	7.1
239.17978	6.5
241.19519	25.8
243.21286	6.0
259.20618	21.5
333.24261	39.7
335.25797	100.0
593.45508	19.0
611.45795	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	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	41.0
57.03452	18.3
57.07063	15.3
58.28711	3.2
59.05003	41.7
59.69374	3.5
62.46667	3.0
63.19934	3.1
65.03921	3.5
67.05502	100.0
69.03414	5.9
69.07069	16.7
69.41739	32.8
71.04979	11.4
71.08618	11.5
73.02934	4.2
73.06565	5.6
79.05489	52.0
81.03407	8.9
81.07058	69.2
82.52248	3.0
83.04977	3.4
83.08614	16.7
85.02895	8.3
85.10175	5.7
87.04472	55.6
89.06020	26.2
91.05477	32.4
93.07052	51.4
95.04949	11.2
95.08612	43.5
97.02903	4.6
97.06548	6.5
97.10161	19.3
99.04443	18.7
101.10245	3.3
102.03246	3.9
105.07053	19.4
107.08602	28.2
109.06480	4.1
109.10155	60.4
111.08107	5.5
117.07058	6.8
119.08584	19.6
121.10140	22.1
123.11703	5.5
125.09605	16.2
131.08542	15.5
133.08595	14.8
133.10124	9.4
135.11650	11.0
145.10117	11.3
149.13263	7.4
157.10062	3.5
159.11673	9.2
171.11681	4.6
173.11719	18.9
173.13181	8.1
177.11230	6.5
193.12224	4.0
199.13263	12.8
201.37772	3.3
227.12778	9.0
229.14365	42.6
241.14340	5.4
243.21143	4.8
255.30493	3.6
259.20355	4.8
261.22134	13.3
267.15982	7.6
315.18158	7.2
332.53986	3.5
335.25809	74.0
337.27551	3.6
363.25494	6.6
477.35791	18.6
489.35837	50.3
593.40686	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	790.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
55.05508	37.9
57.03434	20.6
57.07064	2.2
59.04999	35.0
61.02914	5.9
65.03947	3.2
67.05502	100.0
69.03423	6.7
69.07063	19.9
70.45783	7.0
71.04990	14.2
71.08654	1.9
79.05492	46.2
81.03426	9.3
81.07053	58.3
82.33434	1.6
83.04970	4.6
83.08624	18.9
84.85475	2.0
85.02914	9.0
85.06534	2.6
87.04466	60.4
89.06026	2.1
91.05484	27.3
93.07038	44.1
95.04961	9.2
95.08607	42.5
97.02888	7.0
97.06522	4.1
97.10172	21.4
99.04449	19.2
100.70572	2.1
105.07019	17.3
107.04949	2.8
107.08596	27.9
109.06512	3.3
109.10154	58.1
111.04415	2.8
111.08090	4.1
115.03934	2.4
117.07018	8.0
119.08555	18.9
121.06461	2.3
121.10133	19.1
123.11715	5.2
123.22910	2.1
125.09632	19.5
131.08542	14.2
133.10141	11.3
135.11703	10.3
137.13289	2.2
145.10118	10.9
147.08054	2.0
147.11684	7.1
149.09602	3.8
149.13252	7.7
155.10664	2.8
157.10155	4.4
159.11703	6.1
161.13257	4.7
163.11168	4.7
171.11690	2.0
173.11729	19.2
173.13252	7.0
175.11168	3.1
187.14882	2.3
191.10698	2.8
193.12234	2.3
195.13939	1.8
199.13268	11.9
209.11630	2.5
211.13228	2.1
223.74080	2.0
227.12769	8.4
229.14363	44.4
241.14413	5.2
243.21106	3.7
257.13922	2.2
261.22015	15.1
267.15939	8.4
280.13467	2.1
315.18021	5.8
327.34647	1.9
333.19370	2.4
335.25800	70.4
336.26328	2.2
363.25320	5.0
477.35773	22.6
489.35745	48.9
543.36945	3.4
575.39288	4.0
610.45245	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	29.3
55.05510	34.9
57.03427	18.3
57.07087	5.2
61.02922	15.5
65.03905	4.8
67.05502	92.3
69.03423	12.9
69.07082	36.7
69.28152	4.8
69.28426	13.7
69.28834	36.9
71.05002	10.5
73.02914	9.1
77.77946	5.1
79.05499	82.1
81.03415	11.1
81.07056	100.0
83.04961	9.5
83.08611	22.6
85.02900	12.2
85.06542	5.4
91.05481	60.9
93.07043	82.5
95.04965	22.0
95.08601	64.6
97.02893	14.7
97.06533	40.3
97.10175	18.9
105.07018	56.6
107.04957	25.9
107.08604	47.7
109.02921	5.6
109.06536	12.6
109.10164	33.0
111.08058	10.0
117.07027	28.6
119.08593	46.8
121.06567	5.5
121.10133	30.7
123.08102	5.3
123.11684	8.9
125.09625	13.8
127.03914	6.7
129.07004	15.4
131.08583	31.3
133.10129	35.7
135.11690	21.8
137.09578	8.4
143.08609	9.9
145.10130	34.1
147.08099	5.2
147.11682	21.9
149.09625	27.3
149.13167	5.7
151.11192	5.8
157.10150	14.7
159.11679	19.7
161.13243	13.0
163.11151	8.2
165.12766	4.9
169.10100	8.0
171.11671	8.1
173.13240	13.3
183.11801	6.1
185.13185	6.1
187.14854	5.9
189.11243	5.9
194.09682	4.7
227.12779	19.8
229.14232	6.1
229.19522	7.2
247.20586	5.0
257.19043	12.1
261.22046	10.8
267.15921	12.3
275.20059	72.5
293.20877	6.1
335.25821	86.0
349.23715	53.5
375.87616	5.4
496.94708	5.1
513.39575	9.7
515.37689	6.4
545.38379	7.2
609.45038	62.4
620.10846	5.6
627.46271	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
56.96527	0.1
57.03411	0.3
59.57582	0.1
61.02908	0.3
62.81091	0.1
65.03910	0.1
67.01875	0.1
69.03425	1.2
69.56898	1.0
70.06595	0.6
71.04956	0.2
72.87418	0.1
73.02910	0.1
76.13277	0.1
76.69891	0.1
81.03415	0.7
81.07041	0.2
84.08115	0.3
85.02431	0.2
85.02900	2.6
86.09649	0.2
87.04388	0.1
89.03892	0.1
91.03908	0.2
91.05476	0.9
95.04962	0.2
95.63569	0.1
97.02885	1.2
98.20742	0.2
99.04424	0.2
102.04646	0.5
103.05446	0.2
105.06998	0.4
106.83788	0.1
107.04951	1.5
109.02875	0.7
110.03610	0.5
112.11217	0.2
115.05434	0.2
118.04117	0.2
119.04977	0.8
121.06467	0.3
123.04395	0.3
124.05162	0.3
125.05959	0.1
127.03936	0.8
130.04115	1.0
131.04883	0.5
131.08543	0.2
132.05664	0.1
133.06474	0.4
135.04402	0.3
136.05180	1.1
137.02345	2.4
137.06001	0.9
143.08615	0.1
145.04962	0.3
145.10110	0.2
146.03616	1.3
147.04408	2.8
148.05197	2.2
151.07538	0.2
152.08223	0.1
153.00684	0.2
153.01834	2.5
154.04527	0.1
158.25481	0.1
161.05989	2.2
162.06767	0.8
163.03853	0.8
171.02895	0.2
171.11726	0.2
173.13147	0.2
181.64670	0.1
197.04410	0.3
199.11093	0.1
201.12825	0.1
203.03360	1.1
204.10165	0.5
205.10498	0.3
213.05437	0.2
221.05086	0.3
229.04977	2.3
239.03403	0.1
241.05032	0.5
242.05727	5.5
253.04961	2.0
255.06532	0.2
257.04443	36.1
258.05203	9.8
259.05908	0.2
269.04453	0.8
270.05231	1.4
271.05872	0.8
275.11200	0.1
283.06070	0.4
285.03946	6.1
285.10889	1.0
286.04712	23.6
287.05478	10.3
288.05734	0.2
295.05978	0.4
295.09122	0.2
297.03943	3.7
299.05569	1.2
300.06296	0.4
301.00635	0.3
310.04825	0.2
311.05408	0.3
314.54688	0.1
323.05618	0.2
327.05002	1.5
329.06558	0.1
341.06522	1.3
359.09177	0.2
361.06903	0.1
373.06970	0.4
375.08609	0.4
387.08707	0.6
387.23938	0.4
388.24335	0.3
389.06482	0.4
391.07971	0.2
403.08102	0.8
404.08984	0.2
405.10077	0.1
414.07272	0.2
415.07947	0.7
421.09201	0.2
431.07742	0.2
432.08398	2.1
435.10764	4.6
447.10739	22.0
447.16022	1.3
448.11087	0.7
465.11804	100.0
466.12122	2.6
493.13437	0.2
627.17090	17.5
628.17566	0.5
691.27197	0.2
704.91187	0.1
789.38623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3691
Annotation	RA IV
Peak:m/z	Relative Intensity
58.06577	0.7
65.03931	1.0
69.93946	0.9
69.94353	0.5
70.06589	0.4
72.08134	0.6
84.07684	0.3
84.08144	4.0
84.08624	0.4
91.05479	8.7
107.04955	0.4
110.09660	0.7
112.11245	11.2
113.07136	0.2
114.25148	0.2
119.04945	20.2
129.13879	8.0
136.67484	0.2
146.05994	0.2
147.04408	100.0
148.04765	0.7
155.11798	1.7
160.07614	0.3
195.82111	0.2
203.11778	6.2
204.10201	67.0
205.10510	0.9
218.11615	1.2
220.76263	0.2
258.14880	0.3
275.17535	23.2
331.24893	0.2
349.26019	1.3
363.16574	0.3
385.52219	0.2
421.21164	0.7
477.28442	1.1
478.27100	2.9
495.29910	2.7
521.27557	0.6
623.32300	10.2
624.31482	1.2
624.63318	0.3
641.33331	61.6
642.33545	2.4
787.36914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
58.06593	1.3
65.03947	1.4
69.01533	0.2
69.27811	1.5
69.28236	1.1
70.06571	0.8
71.37111	0.3
72.08138	1.0
79.15755	0.3
81.03400	0.3
81.07022	0.4
84.08139	4.8
86.09730	0.2
91.05478	9.9
91.93223	0.2
97.02870	0.3
98.20771	0.5
107.04955	0.4
110.09650	0.6
112.11237	17.2
113.07079	0.3
119.04937	20.0
129.13870	15.8
147.04404	100.0
148.04750	1.0
155.11777	2.6
203.11786	4.8
204.10197	58.8
205.10526	0.7
215.19316	0.2
218.11803	0.8
247.29504	0.3
275.17523	24.5
348.17624	0.2
349.25949	1.7
375.23801	0.5
379.13174	0.3
421.21320	0.8
448.91055	0.3
477.28540	1.6
478.27072	1.9
495.29611	4.9
495.36288	0.3
496.30051	0.3
521.27417	0.8
623.32196	10.9
624.31342	1.3
641.33313	73.1
642.33862	2.0
757.92554	0.4
787.37463	1.0
787.56635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.05016	0.3
56.96555	0.5
58.06591	1.2
65.03930	1.4
67.05495	0.2
69.40933	0.4
69.41366	0.9
70.06594	0.8
72.08161	1.5
79.05511	0.2
81.03394	0.4
81.07060	0.1
82.06552	0.2
84.08143	8.3
84.96033	0.4
85.02904	0.3
86.09714	0.3
91.05479	9.8
95.04969	0.2
96.08134	0.2
97.02862	0.2
98.02448	0.2
98.09683	0.5
105.01967	0.1
107.04955	1.8
109.02843	0.2
110.02401	4.8
110.09686	1.8
112.11239	22.7
113.07211	0.3
114.07322	0.1
117.07003	0.2
117.43262	0.1
119.04939	21.4
127.03915	0.4
129.13875	10.3
131.04958	0.3
133.06468	0.3
137.02333	2.1
137.06047	0.3
137.07069	1.6
138.02641	0.3
138.05498	10.5
146.06006	0.4
147.04402	100.0
148.04747	1.0
155.08167	2.4
155.11768	2.0
156.06535	0.2
160.07579	0.6
162.09076	0.2
188.10745	0.1
197.04396	0.3
203.11787	9.9
204.10193	52.0
205.10515	0.7
209.12840	5.0
218.11726	2.0
227.11922	0.2
245.03482	0.4
247.85303	0.2
257.16489	0.4
258.14914	0.2
275.17526	18.6
276.17917	0.3
308.13037	0.1
349.25861	0.2
350.14017	0.2
352.06766	0.1
354.11890	0.2
367.16452	0.9
375.23843	0.1
385.05884	0.3
411.23853	0.3
415.15994	0.3
421.21204	7.0
429.24524	0.2
438.24026	0.2
477.28537	0.9
478.27322	0.2
495.29636	0.9
521.27686	0.4
539.22504	0.3
557.27576	1.6
575.29010	1.1
623.32251	12.3
624.31537	0.6
641.33319	41.6
642.33893	1.3
769.35938	0.4
787.36975	23.8
788.37061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98643	0.6
56.96551	1.8
61.87649	0.7
70.06591	2.6
71.20908	1.9
81.03386	1.2
81.07033	0.7
84.04504	0.8
84.96040	1.5
85.02913	1.0
86.09718	1.3
95.04974	0.8
107.04965	5.4
122.06055	0.7
142.41928	0.7
223.02788	0.7
227.02330	0.8
245.03423	1.6
251.02275	1.5
269.03500	0.8
385.06201	1.9
409.30869	0.7
468.83252	0.8
481.16757	0.9
497.09811	1.1
631.15558	0.8
783.19000	100.0
784.19397	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	785.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
57.03451	0.5
57.07073	20.7
67.05505	0.7
67.59806	0.2
69.03427	1.2
70.93784	0.7
77.26700	0.2
79.05489	0.7
81.03411	1.9
81.07043	0.5
82.07449	0.3
85.02895	0.3
85.06540	15.3
91.05477	0.6
93.06998	0.3
95.04985	0.4
95.08609	0.4
97.02888	13.3
97.10149	0.2
99.04456	0.5
103.07576	0.4
107.08578	0.3
109.02868	2.5
109.10146	0.3
119.08582	0.4
125.05749	1.6
127.03920	4.0
127.13673	0.2
131.08588	0.3
149.02094	0.4
167.03146	6.3
175.11186	0.2
179.06921	0.4
209.11456	1.4
211.09637	0.4
229.10718	0.4
251.08958	1.0
281.13571	0.3
313.27124	0.2
353.15665	8.4
371.16760	2.2
437.21393	1.3
438.52621	0.3
455.22543	5.7
516.54614	0.2
524.40527	0.4
683.32501	3.6
785.39209	100.0
786.39417	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	782.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
55.45715	2.0
65.02443	2.0
65.03934	2.4
67.05492	6.8
69.03420	5.6
69.07072	2.3
69.26712	15.3
69.27136	8.7
70.06582	8.5
72.08156	3.3
79.05489	12.0
81.03427	4.5
81.07059	28.3
84.04498	2.5
84.08125	4.0
85.02909	7.2
86.09699	6.1
91.05488	21.8
93.07039	7.2
95.04947	3.2
95.08593	4.8
97.06565	2.6
103.05503	2.6
105.07034	35.6
107.04951	5.6
107.08582	6.7
109.06496	3.6
115.05517	3.2
117.07016	16.8
119.04967	4.1
119.08620	14.9
121.06516	3.9
121.10120	4.3
127.03957	2.3
128.06221	9.3
128.97650	1.9
129.07019	24.4
129.10292	2.7
130.07779	6.2
131.04961	2.1
131.08577	31.6
133.06519	5.2
133.10117	6.5
137.05940	4.7
141.06976	6.7
142.07730	7.8
143.08559	60.7
144.09158	2.4
145.06541	4.4
145.10127	82.3
147.04414	2.8
147.08051	7.5
147.11668	7.2
151.07523	3.5
153.06981	4.2
154.07780	2.8
155.08591	14.5
156.09354	18.7
157.06497	3.8
157.10175	10.4
158.07260	4.8
159.08031	8.2
159.11682	5.7
161.05971	6.7
161.09607	2.9
165.07005	5.6
166.07802	7.0
167.08463	3.2
169.10112	17.6
171.08025	6.1
171.11699	100.0
172.08804	7.9
173.09668	16.7
173.13252	7.4
175.07574	5.4
175.11234	3.6
179.08638	5.4
181.10129	19.2
183.11658	7.9
185.09581	4.7
187.07561	2.4
187.11174	4.5
189.09085	4.7
189.12762	4.2
191.10683	4.6
193.10066	4.8
195.11681	4.1
197.09686	10.4
197.13301	5.8
198.10472	2.7
199.11185	42.2
201.09166	4.3
207.11671	3.6
209.09665	3.3
213.09103	3.1
215.10657	14.0
217.12244	93.0
221.13171	3.9
223.11227	5.6
225.09209	4.1
225.12756	2.9
227.10594	8.1
228.07764	2.4
235.11227	2.7
241.12268	2.7
243.10172	97.5
245.11671	28.1
247.11156	2.6
249.12918	2.7
251.10661	2.9
253.12332	2.3
261.11182	47.1
263.12711	6.3
267.10104	4.2
269.11411	3.2
285.16290	2.3
287.12866	4.9
289.14508	2.6
301.14377	3.9
313.10770	4.1
313.14508	2.6
315.12265	14.8
341.06918	38.4
344.21072	3.2
387.23013	2.6
395.07571	4.5
397.16470	7.0
413.20963	7.4
415.22729	5.1
418.21481	2.9
431.22131	13.0
433.23785	42.4
441.20474	5.2
449.22812	3.7
458.30804	2.5
459.21774	17.3
461.23050	9.3
477.22760	40.0
479.24316	82.5
487.21048	9.8
505.22250	28.3
511.17880	3.1
523.23230	27.1
540.26447	2.6
541.18475	2.9
557.18433	4.5
585.17719	7.6
603.19110	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	781.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05257	1.0
55.05505	15.7
57.03434	9.5
57.07059	2.2
59.05001	1.0
61.02917	1.7
65.03943	1.3
67.01881	0.7
67.05157	1.4
67.05499	16.7
67.65623	0.7
67.66013	0.7
68.36311	0.8
68.99789	0.9
69.03417	7.2
69.07065	11.8
71.01351	6.3
71.04988	32.7
71.08625	1.0
71.59328	1.0
73.02901	7.0
73.06545	0.9
73.77257	0.7
75.04482	6.4
77.03897	0.8
79.05476	12.6
81.03391	2.6
81.07053	36.8
83.01332	1.8
83.04975	54.4
83.08620	7.2
85.02898	100.0
87.04448	2.8
91.05466	7.5
93.06515	0.6
93.07041	26.3
95.01324	34.0
95.04977	4.4
95.08600	72.8
95.70052	0.8
96.08904	0.9
97.02889	8.3
97.06515	2.8
97.10178	3.3
97.93380	0.8
99.00813	3.6
99.04460	1.3
99.08076	1.8
101.02405	1.5
101.06014	1.6
103.03950	4.0
105.07023	25.0
107.04965	1.0
107.08588	45.6
109.02876	2.8
109.06525	3.3
109.10149	51.9
111.04436	44.2
111.08067	15.6
111.11711	1.7
113.02385	6.2
113.05984	1.3
113.09641	0.9
115.03922	1.1
117.07007	2.1
119.08574	43.5
121.10136	41.8
121.99598	0.7
123.00806	1.4
123.04429	1.5
123.08102	2.1
123.11708	18.7
125.02391	1.2
125.09612	2.1
127.03938	2.2
129.05472	30.5
129.06976	1.4
131.03433	4.3
131.08549	9.7
133.10123	36.1
135.04414	0.9
135.11685	29.7
137.02322	1.1
137.09622	2.0
137.13210	7.0
139.03882	1.5
139.11174	7.9
141.01817	85.4
142.02177	1.4
143.08560	2.1
145.10126	15.6
147.06506	15.0
147.11667	25.1
147.12766	1.4
149.05879	0.8
149.13254	23.0
151.03943	1.0
151.11183	1.8
151.14821	1.4
153.05472	1.1
153.12775	1.1
157.04979	2.6
157.10138	4.1
159.02882	17.7
159.06519	1.2
159.11682	18.9
161.13254	27.1
161.14598	1.3
163.11197	2.8
163.14813	23.3
165.01906	0.7
165.07610	1.5
165.12796	5.2
165.16412	0.7
166.89435	0.7
167.14272	1.3
169.10321	0.7
171.06523	2.2
171.11690	3.6
173.13246	13.5
173.14639	0.9
175.14833	21.1
176.15106	0.8
177.03931	3.5
177.12813	1.7
177.16368	22.1
179.14319	0.9
179.18001	1.6
183.02940	1.7
183.11673	1.1
185.13269	3.2
186.14052	0.9
187.02396	1.1
187.14833	13.3
189.16373	19.4
191.14297	2.4
191.16342	1.3
191.17935	11.0
193.15895	8.3
195.09375	0.8
195.17413	7.6
199.14777	4.4
201.04005	2.1
201.16368	18.5
203.17947	37.0
205.15819	7.1
205.19470	4.4
207.17436	12.3
213.03894	1.3
213.07649	2.4
213.16388	4.3
215.17943	19.7
216.18211	0.8
217.07065	1.2
217.15950	2.2
217.19501	20.2
219.17442	12.5
219.21205	1.3
221.18993	13.7
225.04146	0.8
225.16463	1.1
227.17923	6.0
229.19496	20.4
231.17467	2.5
231.21036	2.4
233.18990	11.0
235.20535	1.9
241.07132	2.7
241.19524	3.2
243.04987	0.9
243.21039	5.1
245.19012	4.2
245.22740	1.6
247.20557	15.9
251.05515	1.5
253.19395	1.4
253.62668	0.8
255.21025	4.3
257.22589	6.4
259.08145	3.3
259.20630	2.4
261.05905	1.0
261.22177	3.9
267.21310	1.1
269.06577	6.6
269.22574	4.7
271.20691	1.5
271.24295	1.9
273.22168	2.6
275.23697	2.8
281.22650	2.1
283.24252	2.4
285.22174	0.8
287.07657	8.3
287.23825	2.1
295.24216	1.4
297.25653	2.1
299.23740	0.9
301.25269	1.8
305.08652	23.2
311.27307	1.9
313.25244	1.9
315.26813	4.1
323.09686	3.9
325.28983	0.9
329.28452	2.4
335.27658	0.9
351.18256	1.2
351.30502	1.5
363.30658	1.1
365.31995	4.8
369.31473	1.0
381.31552	1.0
383.33072	7.4
395.37015	1.1
405.35205	13.6
411.35852	4.1
423.36197	89.5
424.36728	3.4
441.37271	75.5
442.37723	3.3
527.00922	0.7
581.38348	5.7
599.39514	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	781.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.4
57.03430	2.1
57.07049	0.4
61.02931	6.0
65.03929	0.4
67.05173	0.4
67.05502	6.7
69.03429	3.6
69.07058	0.5
71.59579	0.3
71.59969	0.4
73.02916	3.9
77.45464	0.4
79.05493	2.6
81.03415	1.9
81.07066	3.5
83.08613	0.8
85.02427	0.4
85.02902	5.6
87.04450	0.5
91.03954	3.6
91.05479	1.4
93.07047	2.6
95.04964	0.9
95.08616	2.8
97.02892	4.5
99.04455	0.9
101.02369	1.7
105.07010	1.1
107.08576	1.7
109.02893	0.5
109.10160	6.9
119.08594	0.9
121.10163	1.0
127.03904	1.5
133.10103	0.6
135.11685	0.5
147.11682	0.4
149.13274	0.5
173.11728	2.0
173.13124	0.4
185.04216	0.6
195.09981	0.9
196.77092	0.4
229.14343	1.0
243.08466	2.6
335.25986	0.9
357.06024	0.4
381.44812	0.5
394.30438	0.4
413.17902	7.9
519.29340	7.1
566.57532	0.4
607.22345	0.4
691.40277	100.0
692.40668	2.3
714.29724	0.5
763.42065	0.7
781.41766	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	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
55.26268	0.6
57.03436	1.7
57.07082	0.8
61.02921	5.2
61.89527	0.6
67.05497	8.4
69.03431	2.8
69.07063	1.2
69.95381	3.4
72.74635	0.6
73.02918	2.6
79.05476	3.1
81.03410	1.4
81.07055	4.0
83.08651	0.9
85.02898	5.8
91.03950	2.7
91.05459	1.5
93.07045	2.6
95.08593	2.6
97.02881	4.4
99.04450	1.1
101.02403	1.4
105.07012	1.2
107.08591	1.6
107.82835	0.6
109.02882	1.0
109.10152	6.8
127.03931	1.2
132.63297	0.7
133.10127	0.7
135.11613	0.8
145.10104	0.9
173.11768	1.8
195.09969	1.2
209.11748	1.4
229.14397	1.6
243.08401	2.0
244.25423	0.7
327.23932	0.7
335.26038	0.7
413.17816	11.4
519.29321	6.5
521.38300	1.6
529.34753	0.7
691.40222	100.0
692.40436	2.6
735.42487	0.9
763.41730	0.9
781.42224	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	781.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.03429	2.1
59.76068	0.7
61.02930	5.0
67.05503	6.8
69.03422	2.1
69.18798	0.8
69.45940	4.1
69.46365	2.9
73.02921	2.9
79.05489	2.4
81.03408	2.1
81.07066	2.7
83.08630	1.1
85.02898	4.5
91.03950	2.6
91.05495	1.5
93.07053	2.6
95.08614	2.2
97.02895	4.9
99.04478	1.2
101.02380	1.8
105.07078	1.4
107.08620	1.3
108.20811	0.8
109.10143	8.0
111.08107	0.9
113.68484	0.7
115.03941	0.7
119.08570	1.6
121.10196	0.8
121.11401	0.8
123.24485	0.7
127.03958	1.8
131.08585	0.8
131.90988	0.8
133.10127	0.9
155.10738	1.0
168.69449	0.8
169.40840	0.7
173.11847	1.9
180.95047	0.7
182.77975	0.8
195.09987	1.3
197.87933	0.8
209.11781	1.9
229.14485	2.1
243.08498	1.4
413.17880	10.6
451.76093	0.8
504.87137	0.9
519.29633	4.1
521.38495	2.1
582.18597	0.9
691.40302	100.0
692.40656	3.3
781.42566	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	781.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91129	0.6
56.96569	11.6
67.05499	1.4
69.41378	5.9
71.95285	0.6
76.78870	0.6
81.07053	1.3
92.98676	0.9
93.07035	0.5
95.08631	0.8
99.41924	0.5
102.92609	1.3
116.98673	0.8
128.98633	1.1
133.98888	0.7
134.99689	0.9
136.93140	1.2
145.87515	0.6
146.99666	2.5
150.94672	1.0
154.94173	5.1
165.00761	1.0
168.95706	4.2
172.95233	18.8
179.02364	0.9
186.96793	49.9
190.96291	15.4
195.96860	1.2
203.05875	0.9
204.97853	54.7
209.98326	5.5
209.99931	0.6
210.96819	1.4
212.98433	0.6
213.97958	0.8
222.98921	1.6
224.98392	3.0
226.99939	3.5
227.09564	0.7
227.99472	3.8
228.97865	7.9
230.99481	0.8
242.99406	13.0
245.01009	3.1
245.10674	1.5
246.98918	1.9
251.99464	0.9
261.00537	1.7
266.00967	0.8
277.11499	0.8
279.12869	0.8
315.16324	1.6
317.17877	54.7
318.18173	0.9
333.17398	2.4
335.18930	34.8
335.25729	1.9
345.20721	0.7
353.20065	1.3
358.20490	8.7
373.20502	2.9
397.14813	1.3
411.15918	4.9
425.17734	3.0
429.17337	1.0
453.17157	13.1
467.18475	6.1
471.18201	38.3
483.21841	0.7
485.19772	100.0
486.20294	1.4
494.19717	4.2
503.20761	0.8
781.42889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	86.9
69.03430	4.2
71.05009	0.7
77.78049	0.5
81.03416	9.2
81.07050	0.4
85.06538	100.0
86.06882	0.7
86.09683	1.2
89.70444	0.4
97.02885	96.2
99.04443	2.8
103.07576	5.2
109.02874	54.2
124.99950	0.9
127.03910	53.1
127.40847	0.5
128.60229	0.4
146.76872	0.4
158.90048	0.5
181.08588	27.9
184.07314	3.8
211.09641	34.1
229.10628	2.8
248.31683	0.5
295.15411	4.2
313.13034	0.8
313.16422	12.5
331.13797	0.6
331.17508	11.1
415.22894	1.7
579.32568	0.5
685.47101	0.6
781.45990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03430	1.5
61.02927	1.9
65.03942	0.8
67.05505	1.5
69.03420	4.7
70.06586	2.0
71.01286	0.5
71.04973	0.8
71.59899	0.7
72.08160	1.1
73.02908	0.9
75.04489	0.7
76.92521	0.6
77.03947	0.6
78.04696	1.4
79.05492	5.5
81.03414	8.9
83.01324	0.6
85.02901	11.6
86.09691	0.7
87.04459	0.9
91.03969	0.6
91.05476	8.5
93.03427	0.7
93.07028	4.0
95.04974	5.0
95.08609	1.2
97.02892	5.2
97.06516	0.5
99.04432	0.6
103.03944	1.2
103.05467	13.0
105.04491	0.7
105.07027	18.6
106.04155	2.0
107.04950	73.5
107.08568	0.7
109.02866	2.3
109.06513	1.6
111.04411	0.9
115.03928	0.9
115.05463	5.1
116.98580	0.8
117.06301	0.5
117.06956	2.9
118.04150	2.4
119.04954	1.4
120.05723	2.4
121.06494	9.6
123.04445	4.6
123.08095	1.2
124.05210	1.6
125.05982	0.9
127.03892	5.6
129.10229	0.8
131.04921	6.7
131.08519	0.6
133.06490	18.1
135.04404	3.1
135.08046	27.0
137.05991	3.4
143.04915	0.6
143.06029	0.9
145.04936	2.2
145.06435	1.6
145.07611	2.4
146.03687	0.7
147.04396	1.2
148.05203	1.3
149.05984	16.2
149.09584	0.6
150.06758	4.0
151.03941	0.9
151.07570	3.8
152.04710	0.7
153.05389	0.6
153.09105	0.9
154.06210	1.9
157.06396	0.8
159.04420	0.9
161.05972	20.5
163.03918	5.7
163.07535	86.1
165.05450	2.3
165.09103	4.6
166.06255	2.4
167.07034	86.5
168.07539	0.7
169.06421	0.6
171.08081	0.9
173.05997	0.8
175.07524	1.5
177.05446	6.9
178.06262	0.8
179.05513	0.5
179.07021	8.3
179.10678	1.1
180.07768	2.7
181.08589	29.7
185.05890	0.7
187.07524	0.7
189.05428	1.1
191.07059	3.9
193.08603	49.9
195.06587	4.8
195.10164	100.0
196.10603	0.9
197.08105	2.5
197.11769	4.1
199.07608	0.9
203.07100	0.7
205.08556	2.7
207.06500	4.2
207.10136	4.6
207.13838	0.7
209.08083	25.6
210.08534	1.1
211.09644	49.6
212.10095	0.6
213.05582	0.8
213.11205	18.2
215.07022	1.0
217.08650	0.7
219.10056	0.8
221.08063	3.9
223.09637	4.0
225.11162	3.3
227.07036	0.7
227.09082	1.3
233.08069	1.6
235.09660	1.3
237.07616	1.1
237.11203	1.8
245.08096	1.3
247.09512	1.5
251.09161	1.7
253.10738	4.8
259.09552	1.5
263.09174	1.7
269.10461	0.7
271.09598	0.6
275.09229	1.0
277.10767	1.1
279.12354	1.2
287.09149	1.2
288.10013	0.7
291.12250	6.3
293.10172	1.1
303.12408	2.6
305.10486	1.3
311.11502	0.6
313.60126	0.6
317.10172	0.9
321.13300	5.9
323.11252	3.3
335.11212	1.5
337.12469	0.8
339.14291	1.1
341.12369	8.8
349.15094	0.6
353.12186	2.5
371.13577	1.8
373.15042	3.9
391.17474	13.6
403.17419	2.3
409.17163	0.8
505.70749	0.7
624.21338	0.6
673.77380	0.6
794.17456	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	780.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03430	1.5
61.02927	1.9
65.03942	0.8
67.05505	1.5
69.03420	4.7
70.06586	2.0
71.01286	0.5
71.04973	0.8
71.59899	0.7
72.08160	1.1
73.02908	0.9
75.04489	0.7
76.92521	0.6
77.03947	0.6
78.04696	1.4
79.05492	5.5
81.03414	8.9
83.01324	0.6
85.02901	11.6
86.09691	0.7
87.04459	0.9
91.03969	0.6
91.05476	8.5
93.03427	0.7
93.07028	4.0
95.04974	5.0
95.08609	1.2
97.02892	5.2
97.06516	0.5
99.04432	0.6
103.03944	1.2
103.05467	13.0
105.04491	0.7
105.07027	18.6
106.04155	2.0
107.04950	73.5
107.08568	0.7
109.02866	2.3
109.06513	1.6
111.04411	0.9
115.03928	0.9
115.05463	5.1
116.98580	0.8
117.06301	0.5
117.06956	2.9
118.04150	2.4
119.04954	1.4
120.05723	2.4
121.06494	9.6
123.04445	4.6
123.08095	1.2
124.05210	1.6
125.05982	0.9
127.03892	5.6
129.10229	0.8
131.04921	6.7
131.08519	0.6
133.06490	18.1
135.04404	3.1
135.08046	27.0
137.05991	3.4
143.04915	0.6
143.06029	0.9
145.04936	2.2
145.06435	1.6
145.07611	2.4
146.03687	0.7
147.04396	1.2
148.05203	1.3
149.05984	16.2
149.09584	0.6
150.06758	4.0
151.03941	0.9
151.07570	3.8
152.04710	0.7
153.05389	0.6
153.09105	0.9
154.06210	1.9
157.06396	0.8
159.04420	0.9
161.05972	20.5
163.03918	5.7
163.07535	86.1
165.05450	2.3
165.09103	4.6
166.06255	2.4
167.07034	86.5
168.07539	0.7
169.06421	0.6
171.08081	0.9
173.05997	0.8
175.07524	1.5
177.05446	6.9
178.06262	0.8
179.05513	0.5
179.07021	8.3
179.10678	1.1
180.07768	2.7
181.08589	29.7
185.05890	0.7
187.07524	0.7
189.05428	1.1
191.07059	3.9
193.08603	49.9
195.06587	4.8
195.10164	100.0
196.10603	0.9
197.08105	2.5
197.11769	4.1
199.07608	0.9
203.07100	0.7
205.08556	2.7
207.06500	4.2
207.10136	4.6
207.13838	0.7
209.08083	25.6
210.08534	1.1
211.09644	49.6
212.10095	0.6
213.05582	0.8
213.11205	18.2
215.07022	1.0
217.08650	0.7
219.10056	0.8
221.08063	3.9
223.09637	4.0
225.11162	3.3
227.07036	0.7
227.09082	1.3
233.08069	1.6
235.09660	1.3
237.07616	1.1
237.11203	1.8
245.08096	1.3
247.09512	1.5
251.09161	1.7
253.10738	4.8
259.09552	1.5
263.09174	1.7
269.10461	0.7
271.09598	0.6
275.09229	1.0
277.10767	1.1
279.12354	1.2
287.09149	1.2
288.10013	0.7
291.12250	6.3
293.10172	1.1
303.12408	2.6
305.10486	1.3
311.11502	0.6
313.60126	0.6
317.10172	0.9
321.13300	5.9
323.11252	3.3
335.11212	1.5
337.12469	0.8
339.14291	1.1
341.12369	8.8
349.15094	0.6
353.12186	2.5
371.13577	1.8
373.15042	3.9
391.17474	13.6
403.17419	2.3
409.17163	0.8
505.70749	0.7
624.21338	0.6
673.77380	0.6
794.17456	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05507	1.2
57.03441	2.1
59.04992	0.8
61.02925	4.6
67.05505	3.8
69.03432	3.1
69.07068	0.9
71.01359	0.4
71.04994	1.2
71.51704	0.6
73.02921	3.2
73.76577	0.3
79.05486	3.9
81.03417	3.0
81.07047	3.9
81.07450	0.3
83.04996	0.4
83.08623	0.8
85.02903	4.8
85.06600	0.3
87.04475	0.7
91.03951	2.9
91.05476	2.5
93.07027	3.3
95.04980	0.9
95.08611	3.4
97.02900	4.8
97.06523	0.6
99.04461	0.9
101.02351	1.6
101.98653	0.3
103.03977	0.6
105.07049	1.6
107.08586	2.0
109.02912	0.9
109.06567	0.4
109.10167	1.1
111.08081	0.5
115.03940	0.5
117.00645	0.3
117.07018	0.3
119.08584	1.5
121.10155	1.7
127.03922	1.6
129.06975	0.5
131.08580	1.1
133.10144	1.0
135.11699	0.6
145.04976	0.7
145.10130	0.4
147.08023	0.4
147.11734	1.1
149.09673	0.9
157.10187	0.5
175.11229	0.4
184.07404	0.4
185.04268	0.7
193.12317	0.7
208.10863	0.3
225.14914	0.4
243.08426	2.3
265.14337	0.3
267.16122	0.5
269.12408	0.4
283.15192	4.4
330.95963	0.3
335.25784	0.6
339.17911	0.7
501.23050	7.1
502.23126	0.5
519.29321	7.9
520.29895	0.5
617.39490	0.4
779.45465	100.0
780.45844	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05496	1.1
69.03436	0.8
69.07065	1.1
69.40405	3.4
69.40837	3.2
70.06615	3.5
72.08147	1.3
75.20316	0.7
77.00912	3.5
81.07053	1.0
81.60097	0.7
85.02893	1.7
86.09705	1.3
87.04482	0.8
93.07035	0.7
95.01971	3.7
95.08609	1.1
97.02914	1.0
97.06532	1.4
105.00375	0.8
107.08660	0.7
112.76386	0.7
119.01929	3.1
120.08154	1.1
123.11665	0.7
131.01938	3.0
133.03516	0.8
134.71577	0.7
145.03516	1.4
161.02969	1.5
173.03036	1.4
175.04454	0.7
201.09781	0.9
221.05051	6.1
237.03084	0.8
242.49495	0.8
281.01990	0.8
303.25299	1.3
317.23303	4.9
319.24615	3.7
321.26450	10.9
331.24863	1.1
333.26355	1.2
335.24481	2.6
337.25888	2.9
339.27469	18.4
345.26447	3.8
349.25833	1.4
351.27319	4.3
362.29214	1.8
363.27530	2.1
365.25314	0.8
367.26758	0.9
369.28738	3.1
375.27640	3.6
381.28531	1.3
393.28708	1.9
411.29797	1.4
465.30557	2.1
483.31534	1.2
495.32593	0.8
513.33203	6.2
531.34033	29.8
537.34668	0.9
555.35339	1.6
573.35577	4.0
585.35205	1.0
589.34155	0.9
617.35583	1.6
657.38245	1.5
675.39026	4.6
693.39966	15.3
699.39337	0.8
717.40393	7.0
735.41052	37.8
747.13019	0.9
749.71460	1.2
761.39355	8.8
779.40289	100.0
780.40546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05511	45.2
55.69647	0.9
57.03434	18.8
57.07073	2.6
59.04979	2.7
61.02919	3.5
65.03938	3.1
67.05504	100.0
69.03426	6.1
69.07069	21.5
71.01344	1.5
71.04986	3.7
73.02930	1.4
75.76176	1.0
79.05492	54.8
81.03426	6.3
81.07056	67.4
83.04983	6.2
83.08617	21.8
85.02902	19.6
85.06050	0.9
85.06535	3.5
87.04460	9.0
89.14289	1.0
91.05478	26.0
93.07045	42.7
95.04979	8.8
95.08604	47.1
97.02887	4.8
97.06536	5.2
97.10166	27.2
99.04492	1.1
99.08126	1.0
103.03912	2.3
105.07030	16.3
107.04945	3.6
107.08591	33.1
109.06504	3.2
109.10152	50.3
111.04425	1.4
111.08087	4.5
117.07009	7.9
119.08576	16.9
121.10142	22.0
123.08060	2.7
123.11704	2.9
125.09636	21.2
129.07025	3.4
131.08560	12.3
133.10138	12.3
135.08000	2.0
135.11697	12.0
137.09581	3.2
137.13168	1.3
139.11180	3.7
141.06946	1.4
143.08556	2.1
143.10643	5.0
145.10124	10.2
147.11681	7.6
149.09573	1.9
149.13260	6.5
151.11243	1.2
153.12685	1.1
155.10670	1.8
157.10133	3.2
159.11710	5.8
161.13240	3.7
163.11147	6.9
163.14815	2.8
167.32625	1.1
171.11674	3.0
173.09590	1.6
173.10318	1.2
173.11728	12.9
173.13268	4.9
175.11282	1.8
175.14839	2.6
179.14322	1.1
181.12215	1.5
183.11665	1.1
185.13188	2.5
187.11346	1.1
187.14845	3.0
189.11234	1.3
190.74860	1.1
191.10735	1.6
193.12239	2.9
199.13249	10.0
199.14784	1.4
203.12776	1.4
209.11736	3.1
211.13228	2.3
217.14395	1.9
219.17207	1.1
227.12811	9.6
229.14349	37.3
229.67299	1.1
241.19676	1.5
243.20996	3.1
245.13869	3.4
261.22098	12.8
267.16013	5.3
271.20657	1.2
277.21640	2.0
281.06918	1.3
283.15356	1.9
289.21649	1.4
297.22491	1.4
301.16449	16.9
319.17456	1.6
327.23083	1.8
333.24255	2.6
335.25787	53.1
336.26132	2.3
363.25119	2.7
451.31799	1.9
459.34723	1.8
469.32813	1.9
477.35901	9.9
489.35812	8.3
499.14508	2.7
543.36633	4.5
561.37970	8.5
579.38519	3.2
777.37640	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
55.05259	3.0
55.05511	44.1
57.03433	18.2
57.07076	2.7
58.92050	1.5
59.04992	3.5
60.71377	1.3
61.02911	4.4
62.63142	1.4
65.03929	3.4
67.05500	100.0
69.03417	4.9
69.07066	17.3
71.01341	1.3
71.04993	4.0
73.02919	2.4
78.15319	1.7
79.05491	52.5
81.03407	5.0
81.07054	60.4
83.04990	5.6
83.08619	17.6
85.02901	14.0
85.06531	2.6
87.04468	7.3
91.05481	26.0
93.07038	44.3
95.04960	9.0
95.08601	43.5
97.02893	4.0
97.06525	4.2
97.10159	21.6
99.04448	2.0
105.04441	1.5
105.07018	17.5
107.04971	2.6
107.08598	25.9
109.06509	3.2
109.10149	45.6
111.08079	3.7
111.11710	2.0
115.52388	1.5
117.07034	6.5
119.08572	16.7
121.10144	22.3
123.08073	2.6
123.11707	4.8
125.09621	21.2
129.06993	1.6
131.08569	12.0
133.10109	12.5
135.11673	14.1
137.09610	2.9
139.11208	2.6
143.08626	2.3
143.10693	5.5
145.10114	11.0
147.11688	6.9
149.13274	6.1
155.10683	1.9
157.10144	1.7
159.11708	6.1
161.13240	4.3
163.11165	6.6
163.14771	2.1
171.11554	1.9
173.11737	10.6
173.13269	5.6
175.14780	4.0
181.12283	3.9
187.14856	4.2
191.10635	2.3
199.13246	8.0
203.12733	2.1
211.13246	1.7
227.12744	4.7
229.14331	36.6
243.21075	2.7
259.20590	3.4
261.22211	12.6
267.15927	3.7
277.21838	2.2
283.15546	3.3
301.16403	16.3
316.87695	1.6
317.24554	2.9
335.25772	72.0
420.55084	2.0
477.35895	12.2
489.35721	13.2
543.36346	4.3
561.37817	7.6
579.38770	6.2
691.58081	2.0
777.37781	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
55.05510	42.2
57.03436	16.5
57.07062	1.5
59.04985	2.5
61.02916	3.7
65.03934	4.3
67.05503	100.0
69.03416	3.9
69.06708	1.6
69.07063	17.4
69.88309	0.8
71.01360	2.0
71.04956	5.3
73.02920	1.9
77.03828	0.8
79.05490	49.4
81.03425	6.0
81.07054	61.5
82.07400	1.1
82.76537	0.8
83.04974	5.6
83.08614	15.8
85.02905	17.5
85.06527	3.8
87.04457	5.2
91.03960	1.7
91.05475	29.8
93.07042	47.1
95.04976	8.2
95.08605	42.4
95.09231	1.1
97.02900	4.4
97.06497	4.6
97.10170	23.2
99.04489	1.0
99.08069	1.8
103.03916	2.3
105.06357	1.7
105.07030	16.8
107.04966	1.9
107.08592	30.7
109.06490	4.1
109.10157	54.7
111.04464	1.1
111.08072	3.8
114.93627	0.9
117.07008	7.2
119.08575	15.0
121.06534	1.1
121.10134	21.8
123.08060	2.1
123.11718	4.6
125.09630	21.8
129.06999	2.3
131.08563	12.1
133.10135	9.8
135.08043	1.3
135.11694	12.5
137.09607	3.2
137.13176	0.7
139.11151	2.8
143.08556	1.8
143.10664	4.7
145.10112	10.0
147.08035	1.1
147.11671	8.9
149.09624	1.2
149.13258	5.4
151.11180	0.9
153.12700	1.8
155.08562	1.2
155.10645	2.5
157.10092	2.1
159.11693	6.1
161.09618	0.9
161.13284	5.1
163.11157	5.6
163.14813	2.6
171.11656	1.7
173.09607	1.3
173.10075	1.1
173.11731	13.8
173.13269	5.3
175.11147	1.2
175.14806	2.8
177.12823	1.1
177.16348	1.0
181.12283	1.7
183.11697	1.2
185.11806	1.1
185.13313	1.5
187.14803	3.4
189.11208	1.8
191.10666	2.0
191.14278	1.3
193.12247	3.0
199.13290	10.8
199.14915	1.4
203.14439	1.2
209.11714	3.3
211.13257	1.3
217.14272	2.3
227.12807	8.4
229.14330	45.1
241.14253	0.9
243.21123	3.2
245.13875	2.0
259.20627	1.4
261.22110	14.5
267.15872	3.9
275.20078	1.1
277.21558	1.3
283.15613	1.2
289.21686	1.2
299.14700	1.1
301.16458	15.8
301.21616	1.1
315.23163	1.3
317.24738	2.9
319.17352	1.2
327.23294	1.2
333.23828	0.9
335.25784	75.2
336.26089	2.8
339.54419	0.8
341.99869	0.9
345.24359	1.0
363.25235	2.0
459.34903	1.3
469.33051	1.0
477.35663	9.0
489.35736	14.0
525.35297	1.2
543.36707	3.5
561.37665	8.5
579.39160	2.0
712.60773	1.0
781.05396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
58.99840	0.5
61.02906	0.2
67.05472	0.6
69.03407	0.2
69.07036	0.2
70.06561	0.2
71.60121	0.2
77.00909	2.4
79.05497	0.2
81.07033	0.5
85.02893	0.4
89.06003	0.2
95.01936	2.2
95.08586	0.6
97.02868	0.2
105.07014	0.3
107.04923	0.2
107.08611	0.2
119.01917	1.1
121.10076	0.2
127.03917	0.2
131.01871	0.4
133.03389	0.2
137.02956	0.2
137.05943	0.7
143.01872	2.0
155.01933	0.3
160.84979	0.2
161.02950	2.6
167.07021	0.4
173.02966	0.4
176.50061	0.2
181.05017	0.2
183.12302	0.3
207.12286	0.2
211.15373	0.4
213.09653	0.2
217.10742	0.4
219.12195	3.4
219.14027	0.2
220.12605	0.2
225.13339	0.4
231.10916	0.3
235.11784	0.7
237.13339	38.9
238.13513	1.0
241.12918	0.3
243.14444	3.4
253.12856	0.8
255.14403	57.7
256.14636	1.6
257.15808	0.3
260.14914	2.2
261.15491	1.3
265.16431	0.2
267.14340	0.4
273.15451	11.7
274.15823	0.3
275.11588	0.2
278.16013	2.6
279.14380	8.6
280.14816	0.2
285.15530	0.2
296.17148	0.5
297.15451	8.8
298.15952	0.2
300.73883	0.2
303.14301	0.2
309.15390	1.5
315.14240	0.5
320.17075	0.9
321.15439	0.4
325.28888	0.2
327.16455	0.4
333.15472	0.4
336.48486	0.2
339.16376	1.1
351.16739	0.2
387.14420	0.3
399.18625	100.0
400.18872	2.6
415.16357	0.6
419.15933	0.2
500.73184	0.2
649.27863	0.2
775.36975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	30.9
71.05824	5.3
71.06189	4.7
81.03396	2.7
81.07050	2.2
84.96037	4.1
91.05489	3.1
93.07078	3.0
98.97570	43.7
105.07001	2.3
110.97588	7.4
112.83502	2.3
112.99126	5.8
116.98603	41.2
120.73337	2.2
127.83794	2.5
128.98610	17.4
131.00174	21.5
134.99641	23.5
140.00198	3.3
143.00145	8.2
146.99634	24.2
149.00092	4.3
149.01215	47.9
158.01219	2.5
158.99683	24.7
161.01233	16.2
161.38547	2.4
165.00662	2.6
167.02269	15.2
170.99655	29.6
172.02809	4.3
173.01251	7.0
177.00699	44.5
185.01190	7.1
189.00716	54.3
191.02267	13.8
195.01807	5.6
195.03499	2.5
199.02844	7.7
200.02238	5.1
201.00769	7.7
203.02225	12.3
207.01752	8.6
209.01045	2.4
212.02336	4.3
213.00690	3.8
215.02364	2.6
217.03746	11.3
219.01738	19.7
227.02185	3.3
231.01750	4.9
233.03430	3.1
237.02803	11.4
250.87469	2.4
261.02908	18.8
275.04440	5.8
279.03888	28.2
293.05426	47.3
297.04947	10.6
302.05466	7.3
309.04877	6.7
311.06494	14.3
317.17886	21.7
321.04913	100.0
334.08151	3.8
335.18951	9.7
339.05981	10.2
362.07596	7.3
381.07144	7.9
437.09509	24.5
455.10706	46.3
477.08875	2.9
539.25299	8.2
553.26880	11.1
648.03748	2.6
715.32056	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.3
56.96561	25.2
67.05489	1.8
68.23996	1.2
71.19552	1.1
71.60262	1.6
71.95256	2.3
74.97591	1.9
81.07065	2.2
84.96040	4.4
93.07062	1.3
98.96934	2.6
98.97577	46.7
102.97021	1.5
110.97557	8.3
112.99123	5.8
114.37536	1.1
116.98618	43.9
124.99162	1.2
128.98607	20.6
131.00165	27.6
134.84329	1.1
134.99644	22.3
140.00192	3.2
140.98662	1.4
143.00125	8.1
145.01756	1.4
146.99635	24.0
149.01221	44.2
153.00673	1.6
158.01291	1.5
158.99638	23.8
161.01216	19.1
162.99123	2.0
165.00726	4.9
167.02264	15.7
170.01222	1.5
170.99637	22.4
172.02821	3.7
173.01219	7.1
175.02805	2.0
177.00708	39.2
179.02249	3.4
182.99600	1.3
184.02837	2.2
185.01219	5.3
189.00702	41.8
191.02249	9.9
195.01842	5.9
197.01239	2.2
199.02789	5.8
200.02310	5.2
201.00737	7.3
203.02263	11.0
205.03764	1.7
207.01727	5.7
209.01268	2.4
212.02341	6.3
213.00748	5.3
215.02335	2.3
217.03908	8.3
219.01770	22.4
221.03313	1.5
225.06975	1.1
226.03972	1.6
227.02258	2.2
231.01784	3.9
233.03429	4.1
237.02821	11.6
242.03322	1.9
255.03891	1.3
261.02811	17.9
275.04346	8.0
279.03879	22.3
291.03842	4.7
293.05432	34.5
297.05002	9.5
302.05478	3.8
305.05215	1.6
309.04910	6.2
311.06430	16.1
316.06924	3.2
317.17877	19.4
321.04922	100.0
334.08145	2.3
335.18942	10.6
339.05966	11.9
358.20197	1.4
359.19040	1.8
362.07513	5.3
381.06876	6.0
391.21732	1.8
399.08032	2.1
411.96829	1.2
437.09689	26.8
455.10730	48.0
539.25500	6.3
553.26874	12.2
571.27954	2.2
683.68488	1.4
698.26862	1.4
715.32104	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	775.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	24.7
70.21056	3.4
70.21446	2.2
76.80412	1.0
79.05495	1.4
82.43921	1.2
84.96039	3.9
92.86555	1.2
93.70989	1.2
98.97578	41.9
105.06971	1.3
110.97541	7.6
112.99099	5.8
116.98612	41.2
128.98595	19.1
131.00185	22.7
134.99657	22.2
140.00162	2.4
140.98599	1.6
143.00171	7.4
146.99657	21.4
149.01222	44.9
153.00714	2.1
155.00215	1.4
158.01227	1.8
158.99657	24.0
161.01228	15.9
162.99162	1.7
165.00714	4.5
167.02274	13.9
170.01245	2.1
170.99643	26.0
172.02850	3.7
173.01227	8.6
175.02843	3.3
177.00714	38.5
179.02307	2.7
182.99576	1.2
185.01221	7.4
187.02809	1.7
189.00705	45.9
190.03876	1.5
191.02306	9.4
194.99799	1.4
195.01704	6.4
199.02806	7.0
200.02310	4.2
201.00676	9.3
203.02264	10.4
207.01721	3.5
209.01303	1.8
212.02307	4.8
213.00624	5.8
215.02209	3.6
217.03796	7.3
219.01750	19.6
227.02364	2.7
231.01811	3.6
233.03337	4.4
237.02789	13.4
261.02811	18.6
275.04382	6.9
279.03860	22.8
291.03885	4.3
293.05438	41.0
297.04932	10.3
302.05472	3.9
309.04871	6.2
311.06476	17.0
316.06958	2.1
317.17862	19.7
321.04926	100.0
334.07990	2.6
335.18939	11.2
339.05960	12.7
347.06061	1.5
358.20389	4.0
362.07681	7.3
381.07062	7.9
399.08051	2.6
437.09711	25.6
455.10718	44.3
473.11465	1.8
535.74829	1.3
539.25311	8.7
553.27039	9.5
571.26990	1.4
659.28790	1.4
715.32056	46.1
716.32666	1.5
716.99072	1.4
775.39386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.3
56.96561	25.2
67.05489	1.8
68.23996	1.2
71.19552	1.1
71.60262	1.6
71.95256	2.3
74.97591	1.9
81.07065	2.2
84.96040	4.4
93.07062	1.3
98.96934	2.6
98.97577	46.7
102.97021	1.5
110.97557	8.3
112.99123	5.8
114.37536	1.1
116.98618	43.9
124.99162	1.2
128.98607	20.6
131.00165	27.6
134.84329	1.1
134.99644	22.3
140.00192	3.2
140.98662	1.4
143.00125	8.1
145.01756	1.4
146.99635	24.0
149.01221	44.2
153.00673	1.6
158.01291	1.5
158.99638	23.8
161.01216	19.1
162.99123	2.0
165.00726	4.9
167.02264	15.7
170.01222	1.5
170.99637	22.4
172.02821	3.7
173.01219	7.1
175.02805	2.0
177.00708	39.2
179.02249	3.4
182.99600	1.3
184.02837	2.2
185.01219	5.3
189.00702	41.8
191.02249	9.9
195.01842	5.9
197.01239	2.2
199.02789	5.8
200.02310	5.2
201.00737	7.3
203.02263	11.0
205.03764	1.7
207.01727	5.7
209.01268	2.4
212.02341	6.3
213.00748	5.3
215.02335	2.3
217.03908	8.3
219.01770	22.4
221.03313	1.5
225.06975	1.1
226.03972	1.6
227.02258	2.2
231.01784	3.9
233.03429	4.1
237.02821	11.6
242.03322	1.9
255.03891	1.3
261.02811	17.9
275.04346	8.0
279.03879	22.3
291.03842	4.7
293.05432	34.5
297.05002	9.5
302.05478	3.8
305.05215	1.6
309.04910	6.2
311.06430	16.1
316.06924	3.2
317.17877	19.4
321.04922	100.0
334.08145	2.3
335.18942	10.6
339.05966	11.9
358.20197	1.4
359.19040	1.8
362.07513	5.3
381.06876	6.0
391.21732	1.8
399.08032	2.1
411.96829	1.2
437.09689	26.8
455.10730	48.0
539.25500	6.3
553.26874	12.2
571.27954	2.2
683.68488	1.4
698.26862	1.4
715.32104	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
55.05508	19.9
57.03441	16.3
57.07067	2.3
61.02909	1.9
65.03931	3.7
67.05503	62.2
69.03416	3.1
69.07065	14.1
70.20330	3.9
70.20733	2.0
71.04990	3.3
79.05052	2.6
79.05492	40.4
81.03416	88.0
81.07053	66.8
83.04977	4.4
83.08615	18.9
85.02907	1.8
85.06528	2.3
91.05475	32.4
93.06459	3.0
93.07042	48.9
95.04962	31.8
95.08603	46.0
97.02902	3.0
97.06517	4.4
97.10169	6.0
99.08102	1.7
105.07034	26.0
107.04941	7.1
107.08585	24.1
109.06499	4.5
109.10155	19.3
111.04456	1.8
111.08081	7.4
115.05433	1.5
117.07005	6.3
119.08578	25.9
121.06508	4.1
121.10139	24.4
123.08038	3.0
123.11715	6.9
125.09624	4.3
129.07007	11.3
131.08545	18.7
133.06470	3.6
133.10138	14.3
135.08061	2.3
135.11693	12.5
137.09671	3.4
137.13167	1.5
143.08569	1.8
145.10120	10.2
147.08031	2.0
147.11674	15.3
149.09590	4.3
149.13219	7.1
155.08543	1.4
157.10107	11.2
159.11650	6.9
161.13251	5.8
163.11182	3.5
163.14796	4.4
165.12743	2.3
171.11699	2.2
173.13278	6.4
175.11136	8.7
175.14801	2.3
177.12701	1.3
177.16293	1.5
183.11694	2.1
185.13226	1.4
187.14850	3.5
189.11224	3.6
193.12236	24.3
211.13196	2.0
227.12827	4.5
235.13248	2.1
243.21068	6.6
249.14786	2.8
261.22162	21.5
267.15903	100.0
268.16226	2.1
301.25238	5.2
309.16928	3.7
317.24722	5.2
335.25793	86.7
336.26288	1.4
378.31171	1.5
417.26657	1.6
421.25919	2.8
435.27335	1.8
435.32635	4.2
453.33786	7.8
471.34811	3.8
527.37286	58.3
545.38385	46.1
546.38220	2.0
559.39685	1.8
569.38232	4.3
635.39087	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.7
55.05260	1.8
55.05510	20.5
57.03440	12.2
57.07070	1.7
61.02931	3.4
67.05503	47.8
69.03424	2.2
69.07063	11.1
69.25510	4.0
69.25926	8.8
71.01342	11.8
71.04993	2.4
72.50232	1.3
73.02907	1.5
79.05489	34.8
81.03402	2.5
81.07054	42.5
83.04980	4.5
83.08620	7.1
85.02910	3.5
91.05476	17.7
93.07042	32.0
95.04944	6.2
95.08605	26.5
97.02893	2.9
97.06537	3.8
97.10166	5.0
105.07025	14.3
107.04922	1.6
107.08584	24.2
109.06515	3.6
109.10157	17.8
111.08128	1.4
115.05441	1.3
117.07021	8.3
119.08588	9.8
120.38319	1.2
121.10139	11.8
123.08100	3.2
123.11703	4.6
125.09628	5.6
131.08574	7.4
133.06532	1.3
133.10117	8.9
135.08052	3.0
135.11726	7.7
137.05951	1.4
137.09654	1.5
137.13289	1.5
139.11215	1.8
143.08623	2.0
145.10107	6.2
147.11690	4.0
149.09619	1.5
149.13274	4.6
153.09106	2.2
159.11697	4.7
161.09662	2.0
161.13300	2.6
163.14838	3.8
171.11676	1.4
173.13240	2.3
177.16368	1.4
185.13173	1.5
187.14729	2.1
189.09077	1.2
209.11708	1.1
225.11176	8.9
227.12849	3.2
243.12236	1.6
243.20985	5.9
261.22113	16.7
299.14877	100.0
300.64273	1.3
315.23074	2.3
317.24796	2.8
335.25769	76.3
336.26114	3.3
449.30603	1.5
485.32770	1.9
541.35358	4.3
559.36273	33.4
560.37000	1.7
577.37238	3.3
774.42474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	26.0
57.03428	16.2
57.07066	7.1
61.02929	21.7
65.03926	7.5
67.05507	100.0
69.03420	9.6
69.07070	29.7
71.60756	5.7
71.61155	5.2
73.02913	7.0
75.51842	3.6
79.05490	78.4
81.03408	7.7
81.07053	84.1
83.04980	4.7
83.08598	11.7
85.02898	15.1
85.06547	4.9
88.44013	4.1
91.03974	3.6
91.05471	70.5
93.07044	82.4
95.04963	9.2
95.08603	63.1
97.02913	19.8
97.06523	5.7
97.10184	5.2
105.07035	67.0
107.04917	6.7
107.08583	36.5
109.10176	23.2
117.06371	3.3
117.07035	30.5
119.08570	58.3
121.10147	34.0
123.11683	8.0
129.07019	19.4
131.08578	42.9
133.10117	43.7
135.11679	21.9
143.08562	16.5
145.10136	36.3
147.11703	34.4
149.13232	12.0
155.08553	9.8
157.10139	17.8
159.11699	27.9
161.13301	23.7
169.10115	10.3
171.11656	17.9
173.13220	18.3
175.14795	13.3
181.10197	4.2
183.10211	3.6
183.11731	7.6
185.13246	16.2
187.14745	6.7
193.10207	5.4
197.13266	8.3
199.14796	6.8
203.71564	3.9
209.13159	4.2
213.16411	5.0
239.18073	4.6
241.19467	20.4
257.18936	4.4
259.20575	46.7
261.22171	5.5
301.21771	5.2
311.29388	6.1
315.22864	4.7
333.24237	27.6
335.25830	56.7
367.22620	6.1
371.33530	4.4
519.42163	6.8
537.43066	6.2
593.45270	9.3
611.46704	96.4
657.71967	4.7
773.50995	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.1
57.03426	13.8
57.07071	2.7
57.13387	2.7
57.90034	2.6
61.02926	17.1
65.03939	5.9
67.05502	74.3
69.03422	10.3
69.07060	22.9
69.41827	26.6
71.04985	4.3
73.02901	6.3
79.05054	5.0
79.05491	59.2
81.03418	6.8
81.07054	79.8
83.08608	12.0
85.02904	13.2
85.06537	4.8
91.03946	5.5
91.05478	61.3
93.07045	79.3
95.04943	12.0
95.08600	66.6
97.02876	15.7
97.06524	3.8
97.10121	5.9
98.21576	3.0
103.05477	4.4
105.07030	52.2
107.08596	42.2
109.06503	6.9
109.10135	23.1
117.07002	22.6
119.08582	50.6
121.10137	33.2
123.08098	5.7
123.11660	6.2
128.06209	3.7
129.07011	15.3
130.07744	4.0
131.08568	38.8
133.06444	2.8
133.10115	36.4
135.08142	3.2
135.11728	21.3
141.07002	5.4
143.08542	20.5
145.10106	28.7
147.11688	29.9
149.09583	4.0
149.13255	10.8
155.08554	8.0
157.10106	16.5
159.11682	24.8
161.09662	3.1
161.13274	22.6
163.11102	4.8
163.14844	6.3
167.08495	3.4
169.10127	9.2
171.11661	17.2
173.13278	19.6
175.14862	14.1
181.10106	5.0
183.11679	10.6
185.13249	17.0
187.14806	12.4
195.11728	5.2
197.13249	6.1
199.14818	7.6
209.13293	5.2
211.14772	6.5
213.16393	4.3
215.18011	3.5
217.15822	3.2
229.19308	2.9
235.14928	3.5
239.18050	3.7
241.19579	18.2
243.20975	3.5
257.19043	5.7
259.20578	41.4
261.22028	7.4
301.21747	4.1
331.22772	3.1
333.24298	24.6
335.25775	67.9
337.27399	3.7
367.22592	5.4
385.23849	4.1
441.25894	4.4
519.41437	6.5
593.45343	10.3
609.44751	3.8
611.46582	100.0
635.46649	3.5
637.55865	2.9
689.47449	3.4
719.48376	5.2
755.50830	5.3
773.43243	11.1
773.52863	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	773.2138
Annotation	LMPK12111744
Peak:m/z	Relative Intensity
55.01884	0.3
57.03431	1.0
61.02915	0.9
66.09440	0.3
69.03432	1.8
70.06589	2.0
71.01320	0.3
71.59597	0.5
72.08147	0.5
73.02904	1.3
73.84099	0.3
76.02213	0.9
81.03433	1.7
84.04479	1.0
84.08144	0.7
85.02909	5.0
86.09705	0.9
87.04484	0.4
91.05482	0.4
92.02629	0.3
95.04971	0.4
95.08602	0.7
97.02888	2.9
98.97622	0.5
102.05524	0.3
107.04932	0.5
109.02896	0.6
115.03899	0.7
116.98629	0.6
123.04465	0.3
127.03903	1.2
134.99669	0.3
135.04428	0.5
145.04926	1.5
148.88004	0.3
151.03859	0.4
153.01820	4.6
161.02283	0.5
162.02202	0.5
171.02956	0.7
179.04829	0.8
193.12088	0.3
207.13867	0.6
229.05038	1.1
241.04919	0.4
246.05269	0.3
257.04459	0.7
269.04550	0.4
273.04092	0.4
274.04642	1.1
285.03918	1.4
285.17078	0.4
287.05502	100.0
288.05728	1.8
298.14020	0.3
302.04248	4.1
303.04840	1.8
308.09085	1.1
317.06567	36.5
318.06750	0.6
327.47974	0.3
329.06564	0.4
359.07782	0.6
387.15125	0.4
449.10812	36.1
450.11160	0.7
465.10324	0.6
479.11935	1.2
611.16089	8.1
652.09448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
55.01871	0.6
57.03435	1.2
59.04975	0.3
61.02929	1.2
69.03069	0.3
69.03425	3.1
69.62643	1.2
70.06581	0.5
71.01334	0.4
71.04995	0.3
73.02916	3.1
76.02218	0.3
79.02583	0.1
81.03406	1.2
84.08159	0.2
85.02903	9.4
87.04451	0.3
91.03950	0.3
92.02632	0.4
93.03407	0.4
95.04942	0.2
97.02890	5.2
99.04454	0.4
103.03944	0.2
109.02885	0.9
115.03915	1.2
121.02838	0.5
126.03106	0.3
127.03906	2.3
133.04962	1.5
137.02324	0.3
139.03923	0.9
145.04962	3.0
151.03883	1.0
153.01823	5.1
162.88632	0.2
163.06038	0.5
165.01862	0.4
177.05450	0.2
179.04805	0.3
183.02794	0.2
200.04668	0.2
201.05475	0.4
203.03372	0.4
217.05066	0.4
218.05733	0.3
223.06203	0.2
228.04175	0.9
229.04958	2.1
245.04446	0.8
246.05261	1.4
256.03674	0.2
257.04431	2.1
260.03201	0.4
261.07587	0.2
271.06052	0.4
273.03827	1.3
274.04715	3.3
284.03223	0.4
285.03925	3.8
287.05408	0.5
302.04202	10.0
303.04947	1.7
308.09076	0.5
317.06543	100.0
318.06940	1.8
329.06473	0.6
341.06512	0.3
359.07501	1.1
413.08789	0.2
431.10153	0.2
449.10461	0.7
461.10382	0.2
465.10202	0.7
479.05444	0.3
479.11786	3.4
634.92786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
54.04205	0.1
55.01834	0.1
57.03410	0.1
61.02874	0.2
64.97815	0.1
67.01819	0.2
67.73518	0.1
68.99456	0.1
68.99779	0.2
69.03417	0.5
69.77084	0.1
69.77510	0.2
70.06547	0.2
72.08087	0.1
73.02877	0.1
76.02048	0.1
81.03370	0.2
84.08117	0.1
85.02892	1.4
86.00631	0.1
97.02876	0.5
99.04402	0.1
109.02833	0.2
127.03893	0.3
129.01758	0.1
135.04422	0.7
137.02351	0.3
145.04903	0.2
147.67824	0.1
153.00562	0.1
153.01808	2.4
161.02313	0.4
171.02850	0.7
179.03320	0.3
213.05399	0.1
219.06371	0.1
241.04904	0.4
245.04337	0.1
259.06131	0.1
263.05359	0.1
269.04398	0.2
286.04413	0.1
287.05457	100.0
288.05801	1.5
317.06604	0.1
329.06479	0.1
330.66156	0.1
360.14005	0.1
449.10748	26.0
450.11206	0.3
526.19873	0.1
611.16010	8.0
612.16278	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	772.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03423	0.7
61.02914	0.9
65.03942	0.6
67.05489	1.0
69.03434	4.5
69.36337	5.9
70.06585	1.3
71.04973	1.0
73.02888	0.7
76.97186	0.6
79.05462	2.6
79.99520	0.5
80.04998	1.4
81.03416	5.3
81.07047	0.8
82.06568	1.4
82.47923	0.5
84.08132	1.2
85.02513	0.5
85.02914	7.1
86.09696	1.0
87.00802	2.7
90.10442	0.6
91.05476	2.0
93.05779	1.4
93.07040	6.7
94.04164	0.7
94.06563	7.9
95.04962	2.0
95.07343	6.3
95.08598	1.3
96.07550	0.9
96.08129	16.1
97.02869	3.0
97.06504	1.0
99.04446	0.8
103.05445	1.8
105.01891	0.6
105.05710	0.6
106.06577	1.2
107.07328	2.9
108.08119	14.8
109.02880	2.6
109.08902	1.1
110.06007	1.1
110.09682	25.9
113.24945	0.6
117.01760	0.6
118.06557	0.9
120.08105	19.4
120.21841	0.6
121.06502	1.0
122.06010	1.3
122.09652	4.6
123.06794	1.0
124.07584	1.7
126.09132	0.7
127.03931	4.4
135.11662	0.6
136.07574	11.9
137.08356	2.4
138.05521	1.3
138.09140	35.2
145.04927	1.3
146.05980	1.9
148.07564	8.1
148.17293	0.6
150.09142	17.1
154.08623	1.6
159.02919	0.8
163.03773	0.8
164.06979	0.6
166.04950	1.6
166.08638	100.0
168.10202	1.1
174.05553	0.8
178.08737	0.6
196.09735	0.8
197.10588	0.5
199.08711	0.7
204.06377	0.6
206.08095	0.6
209.10722	1.7
211.08682	2.5
213.10228	1.2
219.09215	1.1
220.07640	0.7
222.07703	1.0
223.08710	2.6
224.09477	1.1
225.10228	5.5
226.07166	0.7
227.08197	3.3
235.08679	1.3
237.10219	21.2
238.11026	2.0
239.08174	7.7
239.11842	3.8
241.09663	4.9
243.11327	0.9
247.08792	1.7
248.09605	1.2
249.10274	1.3
250.08778	1.4
251.08121	6.4
252.08923	2.0
253.09718	14.2
254.10419	0.7
255.07686	1.0
255.11198	4.7
264.08987	1.1
265.09708	37.7
266.06805	1.2
266.10403	2.7
267.07703	4.4
267.11285	9.6
268.08392	1.1
269.09119	3.9
271.10736	0.7
275.08298	0.7
277.09799	1.6
279.07657	1.0
281.09225	16.5
281.12387	0.6
283.10767	12.3
286.09467	0.7
287.10263	2.5
293.09204	25.3
294.09888	1.9
295.10797	19.5
297.08649	1.0
298.09482	0.8
299.10294	5.5
301.11816	1.3
307.10574	0.9
309.08691	4.4
309.38574	0.6
311.10242	23.0
313.11816	2.2
315.13556	0.9
321.08707	12.0
321.12302	1.0
325.11713	1.0
327.09732	21.0
328.10129	0.7
330.12350	1.3
331.13226	0.9
339.09750	46.7
341.11365	3.4
343.12939	1.1
344.13953	1.0
353.11316	6.6
358.15497	1.4
359.12363	35.5
371.12384	38.3
372.13040	1.1
372.17206	0.8
374.14984	0.7
384.13443	0.6
386.14651	1.9
388.16672	2.2
400.16495	1.4
418.17654	5.9
428.16037	0.9
436.18686	1.4
446.17120	7.5
448.18585	5.5
464.18201	17.8
474.16541	6.8
478.19589	1.2
492.17648	97.9
493.18042	1.9
506.19223	11.5
510.18616	2.3
524.20288	52.9
670.93005	0.6
696.23419	0.8
740.22870	1.7
772.25787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49208	0.9
55.01867	1.8
55.05292	1.0
55.05512	9.9
57.03435	4.4
57.07076	1.5
61.02928	13.5
62.17277	1.0
65.03934	1.1
67.05171	1.3
67.05506	20.9
69.03436	8.2
69.07072	10.3
70.76922	2.6
71.01340	1.0
71.04990	2.0
73.02925	9.5
79.05500	15.2
81.03419	5.1
81.07060	20.8
83.05001	1.0
83.08630	6.1
85.02908	12.2
85.06553	1.9
91.03948	6.5
91.05483	12.2
93.07047	14.6
95.04959	2.6
95.08611	17.3
97.02885	7.7
97.06505	1.4
97.10148	2.4
99.04438	1.6
101.02358	1.5
103.05466	1.1
104.31895	0.8
105.07031	12.6
107.04932	1.9
107.08596	10.7
109.02892	1.5
109.06509	1.9
109.10144	7.9
111.08088	1.4
111.40816	0.8
115.05421	1.2
117.07047	7.5
119.08582	10.9
121.10145	6.5
123.08038	1.0
123.11716	1.7
125.09650	1.2
127.03921	2.1
128.06207	2.0
129.07005	9.8
131.08563	10.6
133.10141	9.9
135.08081	1.1
135.11678	3.2
137.09685	0.8
137.13301	1.1
141.06978	3.6
142.07806	2.5
143.08556	11.3
145.10138	10.2
147.11662	4.6
149.02345	1.8
149.13220	1.7
153.06938	1.5
154.07773	1.5
155.08549	7.4
156.09381	1.2
157.10135	13.2
159.07980	1.1
159.11697	8.5
161.09612	1.1
161.13251	3.5
165.07094	0.9
166.07750	0.8
167.08539	4.9
169.10114	9.9
171.11696	9.7
173.13292	4.3
175.14864	2.0
179.08585	2.3
180.09430	1.0
181.10167	6.7
183.11699	10.1
185.13269	7.8
187.14799	2.1
189.16402	2.0
192.09348	1.2
193.05072	1.1
193.10103	2.8
194.05309	1.3
194.10861	1.3
195.11670	8.6
197.13266	8.0
199.14848	3.7
203.17903	1.1
207.11700	2.2
209.13280	6.1
211.14851	6.1
213.16403	3.3
219.11823	1.2
221.13225	3.1
222.13896	1.2
223.14948	4.4
225.16373	3.4
227.18124	1.8
233.13318	1.1
234.14107	1.0
235.14790	2.5
237.16402	2.6
239.18092	2.1
249.16376	2.4
251.17992	1.5
253.19655	1.1
257.19168	1.2
265.19434	0.8
295.20905	1.0
297.22192	1.0
321.22058	1.4
325.21649	1.0
351.26752	1.4
517.40503	5.5
535.41321	3.7
539.37103	2.0
541.38983	1.2
545.38562	1.4
553.41644	1.4
567.39972	1.2
591.44080	6.8
607.42993	2.8
609.45148	100.0
610.45099	3.1
621.45074	1.4
651.46423	1.1
699.45911	1.1
717.47504	1.2
735.47906	1.5
753.49542	2.4
771.50464	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	771.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.4
69.30070	0.4
69.30407	3.2
70.06599	0.9
84.08144	0.3
85.02899	0.4
98.97583	0.3
106.39532	0.3
153.67473	0.3
161.01248	0.5
172.00275	0.3
185.04199	1.3
219.06250	1.0
234.08621	6.8
235.09412	5.7
237.02675	0.4
253.03864	0.7
271.04916	1.1
287.08038	0.4
321.77548	0.3
333.17596	0.4
366.12823	0.7
367.13663	0.4
397.14688	100.0
398.15155	1.4
674.85394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05510	10.9
57.03425	4.4
57.07064	1.7
61.02928	15.4
65.03925	1.5
65.74367	1.0
67.05162	2.0
67.05501	21.6
69.03429	8.7
69.07069	9.9
69.26006	12.4
71.01357	1.9
71.24368	1.0
73.02914	7.0
77.31168	1.2
79.05495	14.2
81.03418	5.7
81.07056	20.0
83.04971	1.8
83.08615	6.0
85.02899	10.6
91.03969	6.2
91.05474	15.0
93.07040	18.1
95.04971	3.6
95.08609	19.1
97.02888	12.7
97.06556	2.4
97.10166	2.0
101.02377	2.7
105.07027	13.9
107.08595	11.6
109.02858	1.3
109.10118	5.0
111.08058	1.9
115.05421	1.3
117.07024	8.1
119.08572	13.5
121.10118	6.7
123.08087	1.4
123.11725	2.4
127.03934	2.9
128.06256	1.2
129.07002	8.9
131.08559	14.2
133.10129	8.9
134.92192	1.0
135.11697	4.3
136.87166	1.2
141.07011	3.5
142.07770	3.0
143.08565	11.3
145.10121	11.5
147.11668	6.0
149.13255	1.6
150.58095	1.0
153.06985	1.6
153.98178	1.2
154.07767	1.4
155.08554	9.3
156.09279	1.1
157.10126	13.4
159.11742	8.0
161.13278	2.7
165.07083	1.3
167.08507	5.0
169.10146	11.9
170.10895	1.1
171.11684	11.4
173.13251	4.0
175.14828	2.6
177.16411	1.3
179.08548	2.3
181.10065	6.9
183.11710	12.2
185.13222	6.6
187.11247	1.3
187.14827	3.0
193.10149	2.6
195.11696	6.7
197.13260	7.7
199.14865	5.1
207.11736	2.8
209.13243	4.5
211.14822	6.0
213.16399	3.4
221.13306	3.2
223.14850	4.3
225.16374	3.6
227.18022	1.6
235.14870	1.7
237.16374	3.2
239.17882	2.6
249.16429	1.3
251.17992	1.3
253.19414	1.2
265.19339	1.3
323.23685	1.4
335.26117	1.5
339.26804	1.5
351.26782	1.7
365.28680	1.6
402.80042	1.1
447.32608	2.7
509.36258	1.3
517.40417	6.6
527.37482	1.3
535.41803	2.1
539.37213	1.4
553.41266	1.3
591.43964	7.5
607.43494	2.7
609.45117	100.0
610.45459	3.3
621.45032	2.4
634.45227	1.2
753.49115	2.0
771.50806	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	767.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
71.26935	0.5
84.30482	0.2
85.02907	0.3
98.97598	0.4
105.07019	1.1
106.78609	0.2
115.05450	0.4
118.98238	0.2
122.42963	0.2
128.98642	0.3
133.06471	1.2
146.99628	0.5
161.05977	2.3
170.99684	0.4
185.04245	2.4
190.95319	0.4
193.08574	0.9
214.95374	0.3
217.04733	1.0
219.01709	0.7
221.01239	0.3
232.07066	9.3
233.07854	3.8
237.02795	1.0
250.95444	0.3
251.08742	0.3
268.96402	0.2
271.06351	0.8
275.04788	0.5
289.07458	2.3
290.07901	0.3
307.08594	0.5
316.98611	0.8
347.01508	0.3
364.11365	1.2
369.03198	1.6
387.04187	0.5
395.13129	100.0
396.13559	0.9
509.06421	3.0
513.07288	0.5
561.10809	0.5
767.15393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.2
69.58135	2.3
69.58564	2.2
79.07296	0.6
81.03415	2.3
84.04507	2.3
85.02924	1.0
85.29693	0.6
97.02878	1.0
107.04951	26.5
108.05302	1.6
109.02862	0.8
120.14818	0.5
126.05490	0.5
127.03905	1.1
169.04778	1.0
192.56949	0.6
237.07549	0.8
241.75879	0.6
260.09262	1.4
319.07968	1.6
337.09061	1.4
338.12500	0.8
341.44327	0.6
366.38821	0.7
379.94360	0.6
472.16296	0.7
597.16174	1.0
615.16821	1.4
767.21527	100.0
768.21991	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	765.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05500	1.4
57.03432	2.2
57.31730	0.4
61.02923	5.3
67.05507	5.1
69.01486	0.4
69.03424	4.0
69.07067	1.4
70.22765	1.2
71.01339	0.6
71.04986	1.0
73.02916	4.4
79.05489	4.1
81.03414	3.4
81.07045	4.3
83.08618	0.9
91.03944	3.3
91.05483	3.5
93.07043	4.4
95.04958	1.0
95.08611	3.1
97.02888	5.2
99.04459	1.3
99.08097	0.5
101.02413	2.1
103.03938	0.6
105.07047	1.8
107.08601	2.0
109.02879	0.6
109.06531	0.5
109.10176	1.5
115.03872	0.5
117.07021	0.7
119.08604	1.5
121.10124	3.0
123.11702	0.4
127.03937	1.7
129.07101	0.4
131.08580	1.5
133.10133	0.9
135.11720	0.7
139.11220	0.5
145.05051	0.5
147.11713	1.0
149.09615	1.0
157.10138	0.6
161.13193	0.5
164.40572	0.4
175.11201	0.5
185.04291	0.7
193.12387	0.6
193.42142	0.4
201.03719	0.4
203.05389	0.6
243.08427	2.8
251.12573	0.9
269.13647	2.1
295.87662	0.4
335.25916	1.2
425.18015	0.6
443.19064	4.0
469.20538	2.1
487.21530	3.8
518.18597	0.4
519.29285	8.3
520.29370	0.4
521.29767	0.4
603.40619	0.6
628.33179	0.4
721.40985	1.7
747.42981	2.1
765.43884	100.0
766.44714	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
55.05515	1.9
56.31653	0.9
57.03429	2.4
61.02929	6.3
67.05505	6.6
69.03421	3.6
69.07072	1.8
70.78637	2.2
72.37025	0.7
73.02939	4.6
74.14223	0.8
79.05492	4.8
81.03423	3.6
81.07053	6.4
83.08652	1.1
85.02906	5.8
86.09720	2.7
87.04494	0.9
91.03965	3.2
91.05495	3.5
93.07031	6.5
94.11130	0.8
95.04974	1.6
95.08600	5.0
97.02897	6.5
97.06549	1.2
99.04490	0.8
101.02395	3.1
105.07044	2.4
107.04961	1.4
107.08619	2.6
109.02902	1.4
109.10162	1.8
111.04429	0.8
115.03896	0.9
119.08620	0.8
121.10185	2.4
125.00063	2.2
127.03899	0.9
131.08585	1.6
133.10153	1.1
135.11717	2.6
136.86931	0.8
145.10152	1.8
147.11674	0.9
163.11198	1.3
184.07352	10.1
185.07726	1.7
191.10698	1.3
209.15622	0.9
243.08565	2.3
267.11951	1.1
356.13556	0.8
411.19934	1.5
413.17905	2.1
467.19040	1.6
485.19992	4.1
519.29340	7.6
526.60968	0.7
579.46710	1.0
583.39948	0.9
595.42596	0.9
745.41132	2.3
763.42206	100.0
764.42285	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	762.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01865	0.5
55.05512	0.3
56.96554	0.3
57.03414	0.3
67.01855	0.7
69.03431	5.2
69.07076	0.3
69.73283	1.3
69.73696	0.7
70.06582	1.2
71.04998	0.9
72.08157	0.3
73.02886	0.3
77.03884	0.3
79.05500	1.1
81.03417	8.0
84.04520	0.3
84.08128	0.7
85.02899	4.0
86.09704	0.7
87.04479	0.6
89.06012	0.3
91.05463	0.6
94.55207	0.3
95.04969	1.4
97.02894	6.7
99.04470	2.2
105.07049	0.4
107.04953	100.0
108.04478	0.9
108.05302	0.8
109.02869	5.4
119.04922	0.4
119.08540	0.3
119.24188	0.3
120.08062	0.2
123.04443	0.4
127.03916	18.5
131.04942	1.1
131.08522	0.4
133.06599	0.3
137.05978	0.6
144.05687	0.3
145.04950	2.4
151.03897	0.4
153.05440	2.7
157.06499	0.3
164.43932	0.3
167.06985	0.3
171.11636	0.3
173.05904	0.6
177.05438	0.4
179.03438	0.6
187.07570	0.5
197.05962	0.4
211.07510	0.4
213.09038	0.4
215.07069	2.7
233.08112	0.9
237.07465	0.4
243.06615	0.5
261.07620	2.0
279.08621	16.7
297.09705	1.9
303.08658	0.6
345.09784	0.3
387.10583	0.5
413.12354	1.9
425.86905	0.3
431.13333	3.4
437.11584	0.6
438.11734	0.4
513.41162	0.3
587.25293	0.5
587.75110	0.5
768.65436	0.4
790.23865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01872	0.3
57.03437	0.4
59.26383	0.2
61.02909	0.2
65.03924	0.2
67.01855	0.7
68.78017	0.2
69.03426	5.0
71.04981	0.7
77.03915	0.2
79.05485	0.7
81.03417	7.6
85.02412	0.3
85.02898	3.4
89.47293	0.2
95.04976	1.3
97.02890	5.1
97.29871	0.2
98.21449	0.3
99.04452	2.0
107.04951	100.0
108.04465	0.9
108.05287	0.6
109.02879	4.7
115.03821	0.2
126.05546	0.2
127.03912	17.2
128.40538	0.2
131.04900	0.8
145.04939	2.4
149.06015	0.2
151.03914	0.2
153.05472	2.3
173.05977	1.0
179.03401	0.7
187.07608	0.5
191.06982	0.2
195.06573	0.2
197.06029	0.7
215.07042	2.2
219.06560	0.6
225.07603	0.2
233.08134	1.2
237.07578	0.6
243.06529	1.3
259.45340	0.2
261.07587	2.1
279.08621	15.1
291.19214	0.2
297.09659	2.3
303.08517	0.4
311.09604	0.2
345.09644	0.4
359.11301	0.2
363.10867	0.3
367.11746	0.2
369.09515	0.2
371.11609	0.2
387.10852	0.4
405.11826	0.2
413.12253	1.4
431.13391	3.1
521.14581	0.3
539.15497	0.3
553.71204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10083	0.9
61.02938	0.9
63.26505	0.8
67.05492	1.7
69.27043	2.7
69.27462	8.8
75.12476	0.9
79.05496	1.3
83.67548	0.9
91.05498	1.4
102.69357	1.0
133.10121	1.0
157.78624	1.0
232.60924	1.0
295.31281	1.0
421.36276	1.0
430.97729	1.2
535.26581	1.7
761.38757	100.0
762.39099	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	761.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03417	2.2
58.29733	0.7
59.04988	1.1
61.02921	5.2
67.05499	2.3
68.46094	0.8
69.03418	3.9
69.07068	0.9
70.06594	1.6
70.78092	1.0
70.78447	2.6
71.04993	2.6
73.02905	2.7
79.05494	3.4
81.03410	5.5
81.07056	4.1
83.04965	1.7
83.08617	1.6
85.02908	6.7
87.04459	0.8
91.03966	2.9
91.05451	4.5
93.07050	3.0
95.04961	2.2
97.02895	4.7
97.06526	2.4
99.04448	1.1
101.02380	1.6
101.56157	0.9
103.03990	1.0
105.07016	2.5
107.04950	1.4
107.08601	1.8
107.82403	0.7
109.02884	0.9
109.06500	1.1
119.08611	2.9
120.08049	0.8
121.10163	2.8
127.03924	1.5
129.07007	1.2
131.08597	2.8
133.10149	1.8
147.11713	2.4
149.09613	4.0
157.10098	1.7
168.27803	0.8
175.11180	2.2
193.12273	3.0
200.14780	0.8
225.14819	1.3
233.11290	1.1
243.08504	3.5
267.15970	1.8
283.15143	7.5
335.45883	0.8
339.17856	1.7
501.23062	30.7
540.23248	0.9
660.36835	1.0
761.39294	100.0
762.39551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16265	0.7
57.46837	0.6
67.05506	1.3
69.07095	0.7
71.35038	1.0
79.05508	0.7
81.07092	1.1
86.09197	0.6
91.05488	0.8
95.04911	0.9
95.08656	0.8
105.07040	1.3
107.08687	0.8
117.95246	0.7
134.74884	0.7
269.30685	0.7
294.75961	0.7
309.06400	0.8
441.77161	0.8
483.16132	1.3
611.84698	0.8
761.38739	100.0
762.39136	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	760.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
54.09415	1.0
55.01864	2.4
55.05505	19.7
57.03179	1.5
57.03436	17.4
57.07064	2.5
57.81819	1.2
61.02914	1.3
64.05099	1.2
65.03944	2.7
67.05502	54.6
69.03412	3.2
69.07063	15.2
69.84619	5.9
71.04980	3.9
79.05137	1.2
79.05487	43.9
81.03414	76.9
81.07053	55.6
83.04964	6.8
83.08616	21.5
85.02908	3.1
85.06526	1.6
85.96413	1.1
86.09715	1.8
91.03952	1.0
91.05480	32.6
93.07040	42.9
95.04967	28.1
95.08603	40.4
95.09228	1.2
97.02876	3.1
97.06545	6.5
97.10171	6.7
98.20895	1.8
99.08121	1.3
105.07024	27.0
107.04942	5.9
107.08592	26.1
107.09289	2.0
109.06519	4.3
109.10151	20.6
111.04417	1.2
111.08062	8.4
115.05473	2.7
117.07014	7.0
119.08577	21.9
121.06482	2.2
121.10129	23.5
123.08076	3.2
123.11702	7.7
125.00009	1.5
125.09624	4.5
129.06981	9.7
131.08566	19.7
133.06483	2.0
133.10133	17.1
135.08067	2.2
135.11681	13.3
137.09627	2.3
137.13242	1.9
139.11191	2.8
143.08571	2.5
145.10118	9.6
147.08023	3.1
147.11678	14.1
149.09604	4.1
149.13301	6.0
151.11261	1.6
155.08510	1.6
157.10121	10.4
159.11726	8.3
161.13261	6.3
163.11130	2.4
163.14801	4.3
165.12755	2.5
169.10104	1.6
171.11644	2.8
173.09538	1.1
173.13176	6.3
175.11182	9.5
175.14735	2.9
184.07385	5.9
185.13210	1.8
187.11238	1.5
187.14763	1.8
189.11249	4.4
193.12215	24.6
193.13820	1.7
209.11699	1.2
211.13271	2.6
219.81120	1.1
227.12770	6.4
233.15450	1.4
235.13257	1.3
241.14352	2.0
243.21053	6.6
247.16988	1.4
249.14871	3.1
259.13058	1.3
261.22119	19.0
267.15903	100.0
268.16199	1.2
273.14804	1.5
279.23276	2.5
285.16888	2.5
301.14044	2.2
301.25351	5.6
307.22427	1.1
309.16934	3.2
311.25803	1.2
315.23419	1.3
317.24780	4.4
333.24033	1.6
335.25778	87.5
336.26309	1.3
359.25836	1.2
373.27469	1.2
394.54883	1.1
421.25940	1.6
435.27350	2.4
435.32629	5.0
453.33768	8.1
461.29053	1.4
471.34702	5.7
509.36060	2.2
527.00214	1.2
527.37299	60.2
528.37994	1.2
545.38318	46.6
563.39417	5.2
569.38397	2.9
760.42755	2.2
788.56500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2471
Annotation	Antibiotic UCN 1028A
Peak:m/z	Relative Intensity
55.05508	0.9
59.73059	0.5
59.73373	0.5
63.63992	0.4
65.03909	0.5
71.59842	0.8
74.18588	0.4
81.03420	0.6
81.07053	0.5
83.04987	2.7
85.02894	3.1
86.03288	0.4
91.05505	3.0
105.07074	0.6
109.10071	0.5
111.04446	0.9
117.03382	0.8
119.04948	1.8
145.02888	1.9
147.43675	0.4
149.05954	0.5
151.07527	3.2
157.66499	0.5
177.05522	2.0
193.04701	2.3
195.06569	0.6
261.07388	0.7
271.12286	0.7
335.11200	1.6
449.92032	0.5
529.16718	3.0
545.31433	0.5
565.19196	1.9
759.24658	100.0
760.24957	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	10.1
60.54595	1.0
71.58839	1.6
71.95258	1.3
84.76617	1.1
84.96037	4.8
98.97579	31.6
98.98192	2.2
107.94616	1.3
110.97549	8.5
116.98618	30.5
128.98599	21.9
131.00160	1.2
134.99652	15.7
140.98621	2.9
143.00172	5.4
146.99649	24.1
152.98567	1.4
153.00804	1.4
158.99651	21.4
161.01227	14.2
165.00662	3.2
170.99646	24.4
177.00716	25.6
179.02238	2.9
182.99654	11.9
189.00716	42.3
195.01736	2.3
201.00710	50.1
203.02411	2.3
207.01825	5.6
212.02487	1.5
213.00775	4.1
219.01758	52.9
224.02342	1.2
231.01825	5.1
237.02792	28.9
242.03317	1.4
243.01804	20.1
254.99384	3.0
255.03885	4.9
261.02814	91.2
262.03256	1.4
273.00415	3.2
273.02933	6.0
279.03873	57.4
291.03885	18.2
297.04901	2.4
302.05481	3.1
303.03830	1.4
309.05090	1.9
321.04901	33.0
333.04913	4.5
351.05991	10.6
363.05853	1.5
381.07071	17.1
399.08084	18.9
417.04688	87.9
418.05084	1.8
435.05792	16.6
441.09161	100.0
442.09402	3.0
453.09363	2.8
458.07285	3.4
471.10126	3.8
501.11029	5.8
543.12714	5.4
723.17255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01866	3.6
55.05513	22.1
55.67752	1.2
57.03433	11.0
57.07069	2.1
59.04984	2.1
61.02918	5.8
65.03947	3.1
66.20986	1.2
67.05505	72.4
69.03416	3.5
69.06724	1.8
69.07067	22.6
69.28254	15.4
71.04989	4.8
79.05494	53.7
81.03413	4.6
81.07057	55.9
83.04988	8.1
83.08617	13.1
85.02486	1.2
85.02908	8.5
85.06542	3.6
91.03961	1.9
91.05479	46.8
93.07040	55.2
95.04958	13.8
95.08603	34.0
96.04510	1.6
96.08894	1.6
97.02892	9.4
97.06530	9.3
97.10165	6.3
99.04488	2.5
99.08077	2.2
103.05441	1.5
105.07033	32.5
107.04974	8.0
107.08595	33.3
109.06567	7.4
109.10155	31.1
111.04430	8.5
111.08050	6.4
113.06006	2.9
117.07012	15.8
119.08575	25.8
121.06522	4.2
121.10136	25.0
123.08076	4.5
123.11729	6.5
125.05994	3.5
125.09608	2.7
128.06209	3.0
129.06989	10.7
130.07796	1.8
131.08566	25.7
133.06528	2.6
133.10117	23.4
135.08066	5.3
135.11685	23.5
137.09595	5.5
139.11246	2.2
141.06984	1.8
143.08557	10.0
145.06483	3.4
145.10120	24.4
147.08075	5.3
147.11682	12.1
149.09613	8.8
149.13248	3.5
151.11176	6.0
155.08569	4.1
157.10069	8.0
159.08080	3.6
159.11700	12.4
161.09598	4.4
161.13232	7.7
163.11151	11.4
163.14775	3.1
165.09167	1.6
165.12735	1.4
167.08534	1.8
169.10164	6.1
171.11734	8.7
173.09641	8.1
173.11749	3.2
173.13148	6.3
175.07513	1.4
175.11185	5.5
175.14763	2.5
181.12283	2.0
183.11696	4.0
185.13199	8.1
187.11235	2.8
187.14818	2.5
189.11200	1.7
189.12767	4.2
191.10663	7.1
195.11700	3.6
197.13297	4.6
199.14972	3.0
201.12827	1.9
201.16277	1.9
209.11676	14.3
211.14880	2.3
221.13248	1.6
227.12791	6.9
227.16301	6.5
229.14302	12.6
235.14693	1.4
237.16412	2.1
253.14349	3.7
255.15878	9.8
259.20529	3.9
261.22202	3.8
271.15305	2.0
271.20670	3.5
273.22079	7.5
277.21619	2.2
279.23260	1.4
283.15390	55.6
285.17056	4.2
289.21643	5.0
291.23373	1.8
297.22208	1.9
299.19983	2.9
301.16385	3.9
301.21600	3.6
313.21683	4.0
315.23193	11.4
317.21048	4.7
317.24588	2.2
329.24670	1.9
331.22708	1.4
333.24280	5.1
335.25833	14.3
337.20758	1.5
345.09363	1.4
345.24628	1.5
363.25275	2.3
371.25610	1.9
373.23764	5.1
389.26636	3.5
391.24802	3.1
405.31580	2.2
407.28262	1.5
423.32788	1.9
433.31006	10.2
451.32013	12.8
469.33151	13.7
487.34274	7.7
497.35934	1.5
515.37561	3.6
525.35803	30.0
543.36823	100.0
544.37354	3.2
561.37805	35.7
562.38666	1.8
564.48853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01870	6.2
55.05511	23.3
57.03440	15.7
57.07071	2.1
59.05003	1.7
60.63042	1.1
61.02923	5.8
65.03935	2.6
66.63644	1.1
67.05505	81.0
69.03423	4.2
69.07068	20.2
70.87115	2.8
71.01364	3.4
71.04992	4.6
73.02933	2.2
75.01173	1.2
77.03932	1.9
79.05492	59.6
81.03419	21.1
81.07059	69.1
82.51482	1.2
83.01313	2.7
83.04510	1.3
83.04977	16.9
83.08621	12.9
85.02891	8.7
85.06543	3.6
91.03937	2.4
91.05477	34.3
93.07046	63.4
95.04971	10.9
95.08607	52.3
95.09235	2.0
97.02892	10.9
97.06523	8.5
97.10158	7.2
99.04463	2.7
99.08089	2.1
105.07027	22.3
105.07678	2.1
107.04954	12.6
107.07869	1.7
107.08595	35.6
107.09290	2.5
108.07538	1.2
109.06532	3.8
109.10151	21.8
110.10485	1.5
111.04444	9.6
111.08087	5.2
114.35524	1.3
115.05490	1.7
117.07019	15.7
119.08582	22.3
121.06484	4.1
121.10140	33.6
123.08088	5.3
123.11700	6.4
125.06024	1.6
125.09640	4.1
129.06996	5.1
130.07762	1.5
131.08566	18.2
133.10135	10.9
134.04082	1.1
135.08080	2.9
135.11687	26.6
135.32829	1.2
137.09669	2.8
137.13242	2.2
139.07561	1.4
139.11195	3.5
141.54950	1.1
143.08542	2.6
145.06544	2.2
145.10129	24.2
147.08072	3.2
147.11650	7.0
149.09636	5.0
149.13255	6.5
153.12744	11.0
155.08548	3.4
157.10190	1.2
159.11697	6.3
161.13251	3.9
163.11182	30.0
163.14819	3.3
167.10538	1.2
171.11714	1.6
173.09599	7.6
173.11922	1.4
173.13258	4.8
175.11301	1.3
181.12257	8.1
185.13280	1.7
187.14847	2.1
189.11200	1.6
191.10698	10.6
201.16411	1.4
209.11736	24.8
227.12762	17.5
227.14601	1.7
243.21097	4.4
245.13878	6.1
259.20496	1.7
261.22122	14.7
265.14282	5.9
267.15726	1.3
283.15390	25.3
299.23602	2.0
301.16452	61.2
317.24796	3.8
333.24240	1.3
335.25790	100.0
336.26233	3.5
345.36737	1.2
356.94589	1.2
373.28357	1.3
394.20694	1.2
433.31207	1.9
451.32016	4.9
469.32980	3.5
477.86441	1.2
487.34418	1.9
525.35803	8.6
543.36823	41.4
544.37195	1.4
561.37842	80.0
562.37939	2.9
579.38550	1.4
696.60010	1.3
734.65100	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.05518	35.4
55.67991	5.1
57.03434	16.4
67.05502	98.5
69.07082	29.2
79.05480	53.4
81.03432	6.6
81.07055	93.9
83.04942	13.6
83.08627	13.2
91.05473	57.4
91.29567	5.6
93.07050	72.5
95.04959	18.0
95.08613	58.9
97.02904	6.6
97.06543	10.9
105.07035	31.4
107.04951	15.4
107.08592	52.3
109.06506	11.0
109.10135	36.2
111.04410	8.8
111.08089	10.2
116.16012	6.5
117.06979	15.5
119.08578	36.7
121.06536	6.2
121.10152	30.7
123.08077	9.8
123.11720	6.4
125.06082	6.9
129.06946	11.4
131.08557	25.9
133.10127	26.8
135.11700	33.2
137.09584	6.6
143.08571	10.9
145.10130	26.8
147.11697	17.2
149.09618	13.6
149.50023	5.9
151.11143	6.8
157.10153	11.3
159.11752	13.3
161.13318	8.9
163.11162	18.3
181.56335	6.4
184.07339	19.6
191.10637	8.4
197.13290	12.4
209.11734	25.0
243.21065	7.3
261.22101	17.4
273.22122	9.6
283.15393	77.9
301.16342	9.8
335.25772	61.8
373.24121	6.5
400.25226	6.4
433.31223	8.2
451.31970	24.1
469.33139	14.6
487.34311	9.1
525.35773	37.8
543.36798	100.0
561.38110	29.6
683.29510	6.5
758.56757	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01874	10.3
55.05257	2.0
55.05510	33.7
57.03436	22.8
57.07072	5.0
59.04994	2.4
61.02929	6.8
65.03938	3.6
66.98953	0.9
67.05504	100.0
69.03423	4.2
69.06713	2.0
69.07066	25.6
69.55417	1.9
69.55821	6.7
71.01353	3.6
71.04985	6.3
71.08617	1.2
73.02909	2.7
79.05490	75.7
81.03416	19.2
81.07054	81.5
82.07413	1.6
83.01347	1.7
83.04976	25.6
83.08613	17.9
85.02894	11.7
85.06547	4.3
87.04460	1.7
89.89966	0.9
91.03949	3.1
91.05479	52.2
93.07043	90.7
93.29730	0.9
94.07364	2.0
95.04968	21.4
95.08602	62.2
97.02897	14.0
97.06533	13.2
97.10175	6.8
98.20748	2.3
99.04449	4.0
99.08088	2.4
105.04517	1.6
105.07023	34.9
107.04946	16.1
107.08591	45.5
109.02902	2.8
109.06519	7.3
109.10147	30.7
111.04439	20.4
111.08070	7.3
111.11729	2.1
113.06006	1.6
115.05437	1.4
117.07023	18.7
119.08577	32.7
121.06514	4.5
121.10138	40.7
123.08054	6.8
123.11710	9.1
125.05988	4.0
125.09635	4.0
128.06241	1.5
129.07039	7.5
130.07787	2.3
131.04993	1.0
131.08569	25.5
131.09515	2.1
133.06516	1.3
133.10130	22.2
134.10475	1.1
135.08081	6.2
135.11690	34.4
137.09607	3.9
137.13240	1.6
139.11154	1.9
141.07024	1.1
143.08563	6.7
145.04987	1.0
145.06496	2.7
145.10115	33.1
147.08041	4.6
147.11685	12.1
149.09619	6.0
149.13251	10.1
151.11137	2.4
153.12726	13.2
155.08554	3.5
157.10126	4.3
159.08063	1.6
159.11713	9.6
161.09622	4.0
161.13261	4.5
162.13834	1.0
163.11186	37.6
163.14856	3.9
167.08524	1.5
167.10709	1.3
169.10130	2.2
171.10403	0.9
171.11693	4.2
173.09595	8.8
173.11865	1.6
173.13222	7.3
175.11188	1.7
175.14888	2.7
177.16298	1.5
179.10709	1.1
181.10031	1.2
181.10648	1.5
181.12234	13.7
183.11647	2.4
184.07356	1.9
185.13286	3.8
187.14842	2.9
189.11211	2.5
191.10686	14.9
191.14288	1.6
193.12207	2.2
196.98216	1.0
197.13277	1.7
199.11328	1.2
201.16321	2.1
209.11713	31.8
209.13542	2.0
213.12880	1.3
227.12769	25.5
228.86725	1.0
229.14240	1.8
233.22752	1.5
243.20995	5.7
245.13712	1.8
245.90541	1.1
253.14470	2.2
255.15973	2.3
259.20593	2.9
261.22131	14.8
265.14417	3.0
271.20532	1.3
273.22095	3.4
277.21814	1.9
279.23074	1.9
283.15384	53.5
285.16730	1.3
289.21588	1.8
297.22028	1.2
299.14929	3.4
299.20035	1.6
299.23517	2.1
300.15158	1.1
301.16446	55.3
315.23129	2.9
317.21176	1.3
317.24692	2.8
317.82114	1.2
333.24283	2.5
335.25781	91.8
336.25986	4.8
373.23798	1.3
405.31485	1.3
423.32498	1.9
433.30872	3.7
451.31992	7.8
469.33237	7.5
487.34143	3.7
507.34763	1.4
515.37225	1.7
525.35809	12.6
543.36823	73.3
544.37036	2.2
561.37836	51.0
562.38177	1.7
652.26538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36701	5.9
55.01854	8.5
55.05503	35.5
57.07076	43.4
57.27059	6.5
58.69955	5.7
61.02919	8.3
67.05504	45.9
69.03412	29.1
69.07070	100.0
70.23034	25.6
71.08630	36.5
79.05485	17.8
81.03435	14.4
81.07061	80.4
83.08611	80.3
85.02903	96.7
85.10167	23.7
87.00826	26.2
91.05423	7.2
93.07008	14.9
95.08601	88.5
97.02885	28.0
97.09724	5.2
97.10168	58.7
99.04485	8.5
103.81455	6.1
105.01860	49.5
107.08564	11.6
109.02843	18.9
109.10150	75.0
111.11715	71.4
123.11698	28.9
125.09636	16.6
125.13306	35.7
127.03916	59.2
128.85909	6.9
135.11656	6.9
137.13226	23.2
139.14853	10.8
143.96364	6.8
145.04918	28.2
145.10172	6.5
151.14799	16.0
153.12709	6.2
153.16347	9.6
163.05933	9.2
163.11337	6.4
165.16370	9.6
169.15883	12.7
173.11708	10.1
181.19542	8.6
193.12181	7.5
195.21024	10.5
200.21761	7.3
211.77354	5.9
227.12602	6.6
229.14310	19.2
231.05025	15.4
249.06020	12.9
266.35263	7.2
293.28571	7.4
295.29935	35.6
301.16446	14.4
403.32275	9.5
565.25055	6.5
704.07745	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	757.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
54.92723	0.7
55.01871	2.2
55.05260	1.5
55.05513	25.3
57.03440	19.0
57.07068	3.1
62.66484	0.8
62.74770	0.7
65.03947	6.8
66.51767	0.8
67.05505	100.0
68.05815	0.7
69.03431	38.7
69.06718	1.3
69.07072	20.3
71.04992	9.6
71.13107	1.0
71.13424	1.1
77.03950	1.9
79.05494	69.6
80.05827	0.8
80.06290	0.8
80.20522	0.7
81.03420	92.3
81.07057	90.3
82.03738	0.9
83.04967	4.2
83.08615	7.7
85.02902	4.1
85.06539	2.4
87.04463	1.4
87.44621	0.7
91.05481	46.3
93.07047	75.2
95.04973	11.9
95.08608	65.7
97.02893	21.9
97.06498	3.6
97.10169	2.9
99.04462	13.1
99.08129	1.2
103.03942	6.7
103.05473	1.1
105.04522	1.5
105.07028	24.9
107.08592	35.0
109.02876	10.4
109.06544	4.3
109.10159	23.0
109.10910	1.1
111.04462	1.3
111.08103	1.9
114.12154	0.7
117.07022	9.3
117.11189	0.8
118.07846	0.8
119.07778	1.4
119.08581	18.0
121.10136	24.3
123.08057	2.5
123.11713	7.9
127.03915	17.4
129.05531	0.9
129.07019	1.1
130.07854	0.9
131.08568	15.6
131.99881	0.9
133.06554	0.8
133.10127	13.4
133.11072	1.2
135.08095	0.8
135.11684	16.7
137.09618	1.5
137.13264	2.5
137.88417	0.7
142.07774	1.1
143.00981	0.7
143.08559	1.9
145.10129	11.7
147.11691	8.9
149.09654	1.2
149.13261	9.3
151.14854	0.9
157.10115	1.5
159.08081	0.8
159.11708	8.7
161.13295	5.3
163.14844	4.0
171.11694	0.9
173.09665	1.0
173.13235	6.5
174.94426	1.0
175.14865	2.8
177.12784	1.3
177.16341	1.0
179.14400	1.2
181.10008	1.0
183.06470	1.4
187.14833	2.9
199.14777	0.7
201.07494	1.9
201.16434	0.9
213.12811	0.8
219.24496	0.8
243.21027	3.8
259.20563	1.3
261.22147	15.5
277.21832	0.8
289.21817	0.8
319.90466	0.9
335.25803	68.1
336.26151	1.0
341.24207	0.8
363.25296	36.9
369.24081	1.0
372.91974	0.7
404.93210	1.0
405.26303	1.5
443.28568	0.9
467.35260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.5
57.07081	7.5
57.62370	5.6
59.87422	6.3
62.78543	5.6
67.05496	26.9
69.03429	17.2
69.07060	39.6
71.04976	5.9
71.08660	6.9
71.60361	8.2
79.05486	15.8
81.03417	20.4
81.07063	82.8
83.08614	34.5
85.02908	56.4
85.06551	12.4
86.09698	10.0
87.00837	19.7
91.05505	7.9
93.07037	21.9
95.04967	9.7
95.08607	100.0
97.02906	26.3
97.10165	20.5
97.90542	6.4
98.02020	6.8
105.01875	25.9
105.07017	9.9
107.04963	11.5
107.08578	15.0
109.02891	13.1
109.10152	68.5
111.11738	15.8
119.08543	12.0
121.10104	11.2
121.16354	7.2
123.11732	25.2
125.13277	6.9
127.03922	40.8
131.08585	8.7
135.08089	6.2
137.13261	17.5
145.04991	12.4
149.13251	20.7
151.14822	26.4
163.03998	9.0
163.14801	15.4
164.77390	6.5
165.16408	11.5
179.17923	6.2
224.06889	6.0
249.06021	6.1
275.27191	6.5
281.28452	12.1
293.28442	44.0
311.29321	28.2
401.30490	8.1
713.29553	7.7
757.28729	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	757.219
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03441	0.5
67.01837	0.1
69.03400	0.1
70.06609	0.6
70.94646	0.1
71.04994	3.3
71.59141	0.1
72.08112	0.1
75.04446	0.1
84.08085	0.2
85.02903	3.9
87.04420	0.1
107.04961	0.1
110.07146	0.1
111.04385	0.2
129.05467	0.7
135.04401	0.8
137.02327	0.3
137.05981	0.1
153.01834	2.1
161.02280	0.4
171.02892	0.7
171.04160	0.1
241.04970	0.3
259.06256	0.1
269.04434	0.2
271.05945	0.2
282.08527	0.1
287.05487	100.0
288.05817	1.2
335.74149	0.1
449.10794	24.4
450.11133	0.4
475.19363	0.1
595.16840	0.1
611.16064	11.6
612.16412	0.3
757.23035	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.2
53.03939	3.2
55.01866	3.4
55.05508	23.8
57.03180	1.3
57.03437	13.8
57.07066	2.5
59.04992	2.4
61.02918	4.3
62.75665	0.7
65.03933	2.2
67.05502	53.5
69.03439	3.5
69.07066	12.2
69.55461	4.2
69.55886	1.8
71.01340	2.0
71.04978	2.3
71.11221	0.8
73.02915	2.3
79.05492	34.6
79.05959	1.9
81.03421	4.6
81.07055	51.4
83.04970	3.1
83.08620	13.9
85.02895	4.5
85.06528	1.9
91.03977	1.5
91.05478	35.8
93.07040	50.5
95.04962	7.6
95.08603	33.1
95.09232	1.0
97.02869	6.5
97.06525	4.5
97.10158	2.8
99.00806	18.3
99.04465	0.9
99.08092	1.9
103.05460	2.4
105.04556	1.0
105.07029	26.2
107.04955	6.3
107.08595	23.2
109.02873	9.5
109.06519	2.4
109.10152	16.5
109.10857	0.4
111.04411	1.7
111.08069	4.1
115.03925	2.3
117.07001	6.9
119.04973	1.0
119.07780	1.2
119.08578	17.7
121.06491	7.1
121.10142	18.2
123.04395	2.0
123.08070	1.8
123.11688	7.7
125.09657	1.8
127.03895	3.7
128.06242	1.4
129.06996	2.1
131.08565	11.0
133.06477	1.6
133.10126	40.0
135.08076	1.5
135.11687	11.5
137.05988	1.7
137.09576	1.5
137.13248	2.2
139.07558	2.8
143.08528	5.5
145.06540	1.4
145.10109	6.3
146.07327	0.9
147.08029	1.6
147.11684	5.1
149.09595	2.3
149.13264	5.3
151.11185	9.8
155.26358	0.8
157.10068	0.8
159.11711	4.5
161.09610	16.9
161.13251	4.5
163.11197	2.5
163.14841	3.3
165.09135	1.0
165.24855	0.8
165.66592	0.7
171.08046	4.0
171.11713	1.2
173.13261	4.2
179.10669	9.0
184.07407	1.2
185.13266	1.0
187.14832	2.4
189.09082	7.1
193.11823	0.7
197.11707	2.7
201.16319	0.9
207.08394	0.7
207.10156	3.1
211.14789	0.8
225.11220	14.1
243.12282	3.6
243.21103	5.5
259.20615	0.9
261.22128	19.1
277.21494	1.7
279.23279	1.0
281.13879	5.0
283.15552	0.8
299.14874	87.3
300.15268	1.6
315.23199	3.1
317.24701	4.3
333.24161	1.3
335.25790	100.0
336.26123	2.3
421.31271	1.0
439.32071	0.9
449.30441	3.4
467.31500	4.0
485.32446	3.3
513.35620	3.1
515.36621	0.8
523.33881	1.6
531.36932	1.5
541.35181	12.2
542.35797	0.8
559.36285	52.9
560.36334	1.6
577.37341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.2
53.03939	3.2
55.01866	3.4
55.05508	23.8
57.03180	1.3
57.03437	13.8
57.07066	2.5
59.04992	2.4
61.02918	4.3
62.75665	0.7
65.03933	2.2
67.05502	53.5
69.03439	3.5
69.07066	12.2
69.55461	4.2
69.55886	1.8
71.01340	2.0
71.04978	2.3
71.11221	0.8
73.02915	2.3
79.05492	34.6
79.05959	1.9
81.03421	4.6
81.07055	51.4
83.04970	3.1
83.08620	13.9
85.02895	4.5
85.06528	1.9
91.03977	1.5
91.05478	35.8
93.07040	50.5
95.04962	7.6
95.08603	33.1
95.09232	1.0
97.02869	6.5
97.06525	4.5
97.10158	2.8
99.00806	18.3
99.04465	0.9
99.08092	1.9
103.05460	2.4
105.04556	1.0
105.07029	26.2
107.04955	6.3
107.08595	23.2
109.02873	9.5
109.06519	2.4
109.10152	16.5
109.10857	0.4
111.04411	1.7
111.08069	4.1
115.03925	2.3
117.07001	6.9
119.04973	1.0
119.07780	1.2
119.08578	17.7
121.06491	7.1
121.10142	18.2
123.04395	2.0
123.08070	1.8
123.11688	7.7
125.09657	1.8
127.03895	3.7
128.06242	1.4
129.06996	2.1
131.08565	11.0
133.06477	1.6
133.10126	40.0
135.08076	1.5
135.11687	11.5
137.05988	1.7
137.09576	1.5
137.13248	2.2
139.07558	2.8
143.08528	5.5
145.06540	1.4
145.10109	6.3
146.07327	0.9
147.08029	1.6
147.11684	5.1
149.09595	2.3
149.13264	5.3
151.11185	9.8
155.26358	0.8
157.10068	0.8
159.11711	4.5
161.09610	16.9
161.13251	4.5
163.11197	2.5
163.14841	3.3
165.09135	1.0
165.24855	0.8
165.66592	0.7
171.08046	4.0
171.11713	1.2
173.13261	4.2
179.10669	9.0
184.07407	1.2
185.13266	1.0
187.14832	2.4
189.09082	7.1
193.11823	0.7
197.11707	2.7
201.16319	0.9
207.08394	0.7
207.10156	3.1
211.14789	0.8
225.11220	14.1
243.12282	3.6
243.21103	5.5
259.20615	0.9
261.22128	19.1
277.21494	1.7
279.23279	1.0
281.13879	5.0
283.15552	0.8
299.14874	87.3
300.15268	1.6
315.23199	3.1
317.24701	4.3
333.24161	1.3
335.25790	100.0
336.26123	2.3
421.31271	1.0
439.32071	0.9
449.30441	3.4
467.31500	4.0
485.32446	3.3
513.35620	3.1
515.36621	0.8
523.33881	1.6
531.36932	1.5
541.35181	12.2
542.35797	0.8
559.36285	52.9
560.36334	1.6
577.37341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05513	20.2
57.03437	8.9
61.44991	1.7
67.05517	17.5
69.03404	4.9
69.07054	7.9
69.83651	1.4
70.06581	2.6
71.04990	2.4
71.60056	2.0
79.05489	24.2
81.03417	54.7
81.07056	23.7
83.04977	10.9
83.08624	17.1
84.05329	2.4
85.02911	12.8
85.06532	2.0
91.05490	17.9
93.07047	16.3
95.04969	26.2
95.08609	10.5
95.47208	1.8
97.02892	4.4
97.06517	5.9
97.10173	13.6
103.76752	1.5
105.07043	13.8
107.04952	13.9
107.08592	14.6
109.06533	9.8
109.10149	6.0
111.04431	4.4
111.08086	6.0
117.07021	5.7
119.08562	13.3
121.06489	11.6
121.10183	8.4
121.45404	1.6
123.04369	2.0
123.08045	5.0
123.11725	2.0
125.09606	15.5
127.03882	2.8
129.06999	7.1
131.04936	2.1
131.08559	11.1
133.06497	3.9
133.10110	4.6
134.75581	1.7
135.08096	4.1
135.11639	2.1
143.08542	2.5
145.06482	7.2
145.10083	5.5
147.08040	4.2
147.11685	5.2
149.09647	5.6
153.09120	3.9
153.12668	2.2
155.08597	2.4
157.06480	1.7
157.10126	6.2
159.08064	2.5
159.11665	1.9
161.05956	2.6
161.09621	2.7
163.00499	1.6
163.11221	3.2
169.10147	2.2
171.06528	7.1
171.07892	2.2
171.11691	4.4
172.06836	2.5
175.11179	9.2
185.13264	1.9
187.11310	2.8
189.11191	5.8
189.12781	3.0
193.12251	15.0
197.13167	1.9
215.14201	2.1
219.13911	2.8
227.12741	2.4
233.15396	6.1
237.14859	1.9
249.14861	2.1
267.15891	40.1
273.14758	6.4
273.17352	2.0
293.28415	2.6
312.70270	1.7
322.09106	1.7
339.22961	2.3
349.21561	5.8
357.24146	1.8
367.22641	16.2
385.23795	22.2
403.24655	9.5
441.26224	9.4
459.27432	100.0
477.28503	84.0
491.30118	12.9
501.28033	2.4
509.30972	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	754.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05512	5.7
55.42933	0.3
57.03434	2.0
58.82128	0.3
61.02922	0.6
62.87595	0.3
65.03945	0.6
67.05503	2.9
70.25227	1.3
71.01324	0.4
83.04980	47.1
84.05333	0.3
85.02903	99.6
87.04472	1.3
89.03918	0.8
91.05457	0.3
92.34412	0.3
99.04438	0.4
101.06036	0.4
111.04440	25.4
117.03394	2.2
127.03917	5.4
129.05479	14.5
145.02841	5.4
149.05992	0.8
151.07530	0.7
171.06522	100.0
172.06856	0.8
177.05470	14.9
186.65808	0.3
199.95508	0.3
231.08638	9.2
231.97511	0.3
339.10718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70889	0.3
60.11082	0.3
67.05502	0.6
69.07077	0.9
70.22543	1.2
77.73324	0.3
78.83546	0.3
79.05493	0.9
80.52958	0.3
81.07024	0.4
86.09705	3.5
91.05474	2.8
93.04932	0.3
93.07059	0.9
95.08626	0.3
98.98505	0.3
103.05458	0.9
103.58241	0.3
104.10147	0.3
104.10726	1.5
105.07027	19.3
107.04954	6.1
107.05693	0.4
116.08037	0.3
117.07030	0.4
118.06532	0.8
118.26324	0.3
119.04957	1.5
119.07314	7.6
121.06484	2.1
123.04395	0.4
125.00001	0.5
130.06538	0.8
132.08089	0.5
134.09647	100.0
135.09944	1.4
136.07570	4.6
144.08061	1.5
146.06026	0.4
147.04402	1.1
150.09160	0.7
162.09132	44.0
165.05475	0.8
178.08687	0.9
184.07343	2.0
190.08623	30.7
204.13863	0.7
234.77046	0.3
238.12241	1.2
247.18047	2.8
250.14302	0.9
275.17538	4.7
279.82675	0.3
297.16028	0.6
306.18448	0.4
325.15485	3.8
363.22781	1.3
365.22250	6.6
393.21707	18.2
394.21661	0.3
456.24948	0.8
506.29910	1.3
524.23779	0.4
524.31177	7.1
687.36359	0.5
755.42535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01863	2.2
55.05507	14.3
56.96575	2.0
57.03448	4.3
61.16622	1.8
67.05503	24.8
69.03432	18.8
69.07069	9.5
69.95238	10.2
71.04993	7.4
79.05484	22.3
81.03416	21.5
81.07049	50.1
83.04974	9.0
83.08611	10.8
85.02911	9.8
85.06563	7.2
91.05474	17.0
93.07043	16.7
95.04993	5.7
95.08604	56.5
97.02924	8.3
97.06524	12.0
97.10204	3.7
98.21384	3.3
99.04479	4.4
99.08122	6.7
101.06101	2.0
105.07025	23.7
107.04966	3.3
107.08601	9.0
108.04493	2.3
109.02874	12.9
109.06502	4.0
109.10136	9.5
111.04469	4.5
111.08122	4.2
117.07010	5.0
119.08569	23.6
121.06521	6.7
121.10136	9.2
123.08103	6.5
127.03909	22.0
127.04616	1.8
131.08575	3.4
133.06526	6.2
133.10124	18.7
135.08078	4.7
135.11693	11.8
137.13300	8.5
139.07613	2.7
143.08565	2.3
145.04996	2.5
145.10159	3.4
147.08038	2.8
147.11674	3.7
151.07616	9.7
151.11308	1.7
155.08507	2.1
156.73099	1.7
157.10199	1.9
159.11714	4.1
161.13249	40.4
163.11304	2.0
171.11629	3.2
173.09729	2.0
173.11732	3.8
173.24144	1.9
175.07623	2.0
177.12761	3.3
179.14322	47.0
179.15804	3.3
189.12733	1.9
191.14252	2.7
195.13815	2.4
197.15344	21.9
207.13812	2.2
209.15355	2.4
215.16464	5.8
225.14886	5.7
234.03947	1.8
237.14896	5.7
249.14864	1.9
251.16466	2.2
255.15988	2.3
263.16354	3.7
269.15536	2.4
277.18228	2.8
287.16437	12.3
293.17346	2.6
305.17471	35.0
323.18521	100.0
341.19595	68.9
359.20535	4.1
470.15045	1.8
620.06897	1.9
646.49335	2.0
752.75787	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
55.01879	11.0
55.05508	9.1
57.03437	5.9
57.07079	1.8
61.02919	5.8
65.03955	2.9
67.05503	31.8
68.99781	4.6
69.03428	35.3
69.07070	10.9
69.87534	1.3
70.06604	5.2
70.43159	4.3
71.05004	6.6
72.08162	1.9
73.02925	8.6
79.05495	22.7
81.03419	41.8
81.07056	63.5
83.04981	1.5
83.08626	4.8
85.02905	83.6
87.00832	32.2
91.03955	3.1
91.05476	29.4
93.07042	53.1
95.04975	8.4
95.08607	74.9
97.02890	31.7
97.06591	1.4
97.10165	2.7
99.04452	17.6
101.02387	1.6
103.05486	3.5
105.01865	30.0
105.07029	72.3
107.04986	1.3
107.08595	75.3
109.02876	41.6
109.06524	4.3
109.10157	54.0
110.25199	1.4
111.04481	2.6
115.03972	2.3
117.01853	4.3
117.07029	3.8
119.08582	50.9
119.09458	2.4
120.08125	1.8
121.10143	23.3
123.02929	1.4
123.04478	2.0
123.11706	11.4
127.03918	66.5
129.01836	4.3
129.10196	1.6
131.08577	4.2
133.08653	1.7
133.10129	29.5
135.11688	20.4
135.12582	2.2
137.05966	6.8
145.04945	22.5
145.10123	6.0
147.02890	3.1
147.11694	56.2
149.13200	3.1
157.10143	1.7
159.02892	19.3
159.04092	1.8
159.11687	3.3
161.05922	3.2
161.13266	17.1
163.14801	8.1
164.23160	1.3
173.13292	2.4
175.14796	8.3
185.43802	1.3
187.07582	1.5
189.03925	2.2
201.16444	3.3
203.17955	100.0
204.18265	1.8
205.08656	1.4
205.19592	1.4
213.03876	8.1
221.19087	3.0
231.05034	13.1
249.06042	4.2
273.05991	2.4
486.27081	2.5
504.87030	1.6
774.36462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52764	1.0
65.68436	0.9
67.03770	0.8
67.05507	1.1
69.03414	1.6
70.06599	2.4
71.59824	0.9
71.60277	1.2
72.08155	1.3
79.05517	1.4
81.03413	1.8
81.07078	1.6
85.02910	3.4
86.09705	1.7
89.06065	1.0
91.05486	11.6
93.07056	1.1
95.04967	0.9
95.08600	1.1
97.02899	2.0
97.06550	1.2
105.07087	1.1
107.04968	7.8
107.08587	1.0
109.02890	2.0
109.10186	1.6
127.03929	2.9
131.08636	1.0
133.10123	1.1
145.10135	1.1
147.11673	1.2
303.08429	1.5
347.99176	0.9
386.95337	0.9
459.11331	1.2
515.09888	1.0
599.16858	2.1
751.22101	100.0
752.22308	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
56.96561	41.4
67.78275	0.7
68.59595	0.7
70.06590	1.6
71.60197	1.5
71.95264	1.3
74.97628	1.2
75.96593	0.7
81.07059	1.3
83.08644	0.9
84.04511	1.7
84.08171	1.3
84.96046	4.0
85.02910	2.1
93.07037	1.1
97.96837	2.7
98.97572	11.8
98.98091	0.9
100.11280	3.0
102.97028	0.7
105.07024	1.4
107.05073	0.9
109.02853	1.2
110.97576	3.4
112.99150	2.3
115.00681	5.1
115.97845	4.0
116.98616	11.8
119.08575	1.4
128.98598	9.1
130.26363	0.8
131.00163	6.9
133.01715	8.7
133.10109	1.1
133.98883	1.6
134.99637	9.0
135.00488	0.8
143.00217	1.8
145.01738	1.4
145.10100	1.6
146.99652	12.6
147.11707	1.3
149.01202	9.4
151.02798	1.6
154.12267	1.5
158.99644	1.5
159.03261	1.0
159.11748	1.8
161.01242	3.5
161.26610	0.9
162.99104	1.4
165.00758	1.9
167.02341	1.0
170.99747	1.6
172.94293	1.6
176.95441	1.1
177.00713	4.0
182.15419	2.2
183.03384	0.8
189.00757	3.6
190.95366	1.2
194.96346	4.7
195.01649	1.3
197.04886	0.9
201.00757	1.3
201.16454	3.1
202.16783	1.3
207.03383	2.5
209.16547	0.9
210.14995	2.3
211.06606	0.9
212.03564	2.2
212.97382	39.1
213.07979	4.0
214.95369	1.7
215.03923	1.8
215.05988	1.9
217.01770	1.1
219.01720	12.2
221.01280	1.3
225.04375	2.6
229.05479	1.0
230.04672	1.5
230.98439	11.6
231.08992	4.7
233.04854	20.9
233.06979	1.6
235.02745	10.0
235.04552	1.0
235.99055	1.3
237.02782	30.8
238.05080	5.1
239.02304	1.1
244.96448	1.1
247.02852	2.0
247.06453	1.1
251.05925	17.2
253.03786	6.9
253.07594	1.9
255.03911	2.9
255.06883	1.8
256.06467	1.6
259.12195	2.2
265.03885	2.8
265.11209	3.8
267.12637	8.1
271.08618	3.4
273.07935	32.5
274.97528	2.3
281.10632	1.3
283.12158	4.4
285.13721	23.8
287.05811	1.3
289.07547	3.1
291.09131	21.9
291.12717	3.3
294.11404	3.0
295.12201	1.8
296.09604	1.2
296.99609	1.7
303.14725	5.2
305.06943	1.6
307.08521	1.2
309.13687	22.9
313.13388	2.9
316.98535	2.8
321.13815	2.8
323.15308	1.4
327.14612	7.9
332.15421	1.7
334.99597	2.1
335.03046	2.2
339.00565	1.4
339.14804	4.4
347.08344	1.1
351.14871	2.4
353.03625	18.7
357.02118	0.9
365.09186	4.4
369.16180	1.1
371.04700	34.9
376.05429	1.8
387.11636	3.2
407.10464	1.1
411.16925	30.2
412.16626	0.9
429.17938	25.1
429.23822	1.4
491.12549	5.9
497.07907	3.9
509.13623	12.3
515.08820	1.0
545.18781	4.0
549.16498	4.1
587.19757	2.3
707.24023	100.0
708.24225	3.5
733.53070	1.1
750.55145	1.8
751.22998	56.4
751.54181	2.2
752.23779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
56.96539	1.5
57.03432	3.4
61.02924	2.3
69.03432	8.0
70.06590	2.5
71.60139	1.4
71.60491	1.6
79.05486	4.1
81.03405	4.8
84.04510	1.3
84.48663	1.2
85.02898	14.4
91.05481	12.8
93.07027	5.0
95.04961	3.8
96.62778	1.1
97.02869	6.4
98.97546	2.3
99.04436	1.8
103.05466	12.3
105.07026	14.0
106.04147	4.9
107.04278	2.2
107.04955	25.3
108.54657	1.1
109.02839	2.3
109.06499	2.8
115.05457	3.6
117.07008	3.0
119.04963	4.1
119.08626	1.9
121.06498	13.1
123.04491	2.1
125.05991	1.9
127.03889	6.7
129.07002	4.3
131.04912	14.0
131.08560	4.6
132.05740	1.3
133.06485	17.7
134.99678	1.4
135.04393	2.4
135.08049	5.4
136.05223	1.7
137.05975	15.0
145.04953	2.9
145.06470	4.2
146.07271	3.4
147.04396	1.4
147.08095	1.4
148.05191	5.0
149.05968	17.4
149.09602	1.4
151.07512	8.4
153.05484	2.0
153.06763	1.4
153.09068	1.5
157.06487	4.2
158.07312	1.5
159.04317	1.4
160.05205	1.7
161.05977	89.9
161.09605	22.3
163.03894	4.6
163.07538	38.0
163.08922	1.6
165.05481	5.3
165.09106	5.1
166.06322	1.3
167.05623	2.2
167.07039	42.3
173.05981	3.2
174.06714	2.7
175.07576	9.4
177.05511	11.3
177.09120	6.3
179.06995	11.4
180.07793	11.5
181.08591	25.7
181.10156	1.8
186.22154	1.3
189.05513	2.5
189.09096	58.6
191.07024	17.3
192.07832	3.9
193.08607	20.2
195.08083	1.4
195.10088	1.7
197.08063	2.9
197.09697	1.7
201.09129	1.5
205.08551	3.1
207.06622	5.5
207.10156	96.9
209.08067	26.7
209.09894	1.9
211.09702	1.6
217.08627	1.5
219.08257	1.3
219.10176	5.5
221.08066	3.9
221.11598	1.7
225.09137	1.9
231.10126	1.6
233.08098	3.1
237.02798	1.6
245.08142	2.2
249.11110	1.5
257.11694	3.5
261.11273	1.8
262.93835	1.3
263.09235	1.7
273.10995	2.3
283.09628	2.1
285.11102	2.4
289.10611	1.4
291.12314	6.0
305.10110	2.6
308.10376	1.3
308.14081	1.3
315.12308	3.1
317.13821	4.6
323.11157	3.6
329.13644	2.8
341.12265	7.5
343.15320	8.8
353.12433	3.5
361.16415	100.0
371.13113	2.1
373.16428	10.9
391.16931	1.6
448.59158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.2
65.03932	0.8
68.49633	0.1
69.03419	0.3
70.06579	0.5
71.60107	0.2
72.08152	2.8
75.85944	0.1
82.71044	0.1
84.04502	0.1
84.08147	0.9
85.02891	0.3
86.09705	0.2
91.05479	9.0
97.02866	0.2
107.04951	0.5
110.09657	0.1
111.47279	0.1
112.11246	1.7
119.04942	22.5
120.05231	0.2
127.03905	0.3
129.13889	1.3
132.16646	0.1
137.05949	0.4
146.06041	0.2
147.04407	100.0
148.04741	1.1
148.07637	0.1
151.03915	0.1
155.11775	0.9
165.05470	0.2
172.14433	0.6
179.07024	0.1
203.11807	3.3
204.10197	30.8
205.10487	0.5
217.13371	2.6
218.11751	2.5
221.12767	0.3
223.93385	0.1
274.19156	0.7
275.17535	8.4
276.17950	0.3
292.20184	2.6
293.16168	0.1
309.09735	0.2
318.18127	0.6
366.15485	1.0
420.22815	28.4
421.21902	1.2
437.22903	2.3
438.23889	10.2
439.23950	0.4
454.25507	0.6
464.21661	0.3
480.23584	0.2
582.28101	6.6
583.26978	0.6
584.27576	1.1
600.29150	20.4
601.29236	0.4
613.55658	0.2
626.27142	0.2
746.32941	2.1
764.37366	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	746.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01873	0.5
57.03431	0.8
61.02901	0.4
64.63546	0.3
65.03926	0.9
65.56828	0.2
67.01855	0.7
69.03425	10.7
70.35213	0.2
71.01336	0.3
71.04982	1.1
71.42426	0.4
77.03898	0.3
79.05497	1.0
81.03415	12.5
85.02902	7.3
87.04451	0.6
91.05475	45.1
92.05804	0.4
95.04959	1.0
95.34538	0.2
97.02887	9.8
97.03513	0.5
99.04445	3.9
103.03998	0.3
106.28412	0.3
107.04948	100.0
108.04472	1.7
108.05279	1.6
109.02876	9.3
111.04419	0.3
119.04947	0.4
119.34500	0.3
123.21777	0.3
127.03909	30.2
131.04906	0.9
137.05959	2.7
141.06995	0.3
145.04947	3.9
147.04387	0.3
149.05974	0.4
151.03947	0.5
153.05443	1.4
169.05075	0.4
171.89473	0.3
173.04564	0.3
173.05992	1.0
179.03374	0.8
187.07539	0.6
197.05945	0.7
215.06987	2.8
219.06537	0.4
221.08069	0.4
233.08083	1.7
237.07561	0.3
243.06537	1.4
245.08032	0.8
261.07587	2.7
263.06750	0.2
263.09134	6.5
279.08606	19.9
280.08899	0.4
281.10168	2.4
287.09189	0.5
297.09674	0.5
303.08615	0.8
345.09760	0.3
351.12213	0.3
367.11752	0.4
387.10477	0.5
397.12918	0.4
413.12341	2.2
415.13843	0.4
431.13324	4.5
431.19003	0.2
432.13217	0.4
440.48819	0.3
720.98108	0.3
746.35760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01877	0.6
55.05505	1.4
57.03437	1.6
61.02927	4.0
62.55914	0.2
66.49583	0.2
67.05505	3.6
69.03426	2.5
69.07056	0.8
69.61474	0.6
69.61906	1.3
71.01330	0.6
71.04991	0.5
73.02920	3.6
79.05499	3.3
81.03413	1.6
81.07055	3.7
83.04986	0.3
83.08621	1.0
85.02910	3.3
91.03952	2.1
91.05476	1.9
93.07043	4.5
93.71585	0.2
95.04945	0.6
95.08600	4.0
97.02888	3.8
97.06503	0.2
99.04441	0.7
101.02380	1.8
103.03952	0.3
105.07031	1.0
105.36259	0.2
107.04951	0.7
107.08595	2.8
109.02890	0.5
109.06565	0.3
109.10160	1.0
111.04417	0.3
115.03909	0.3
117.07014	0.9
119.08589	1.1
121.10124	1.7
125.06054	0.3
127.03958	1.0
131.08572	0.6
133.10106	0.5
135.11684	3.8
144.53561	0.3
145.10138	1.9
163.11171	3.8
173.13216	0.3
181.12262	0.7
182.73605	0.2
185.04207	0.5
193.92383	0.3
203.05258	0.4
219.10020	0.7
227.12782	2.5
243.08389	2.5
249.10980	8.4
305.13602	1.9
335.25827	0.5
467.12289	0.6
467.18900	10.9
519.29285	5.6
583.36041	0.3
745.41309	100.0
746.41376	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
57.03439	2.1
60.94641	0.8
61.02933	5.4
67.05220	0.8
67.05501	5.4
69.03432	3.4
71.60341	1.3
73.02921	2.5
74.34151	0.8
79.05489	5.0
81.03418	2.0
81.07069	5.5
85.02901	4.3
91.03960	3.8
91.05475	2.0
93.07039	5.3
95.08619	3.6
97.02897	4.3
99.04447	1.0
101.02364	1.7
104.87847	0.9
105.07039	1.2
107.08621	2.0
109.02884	0.9
109.10152	1.4
115.03935	1.1
119.08620	1.7
121.10163	1.5
124.89399	0.8
127.03962	1.0
135.11720	3.4
138.05460	0.8
145.10190	1.0
163.11194	1.9
190.79588	0.8
227.12889	1.5
243.08485	2.1
249.10986	10.7
270.92749	0.8
328.63364	1.0
376.37238	0.8
379.09442	0.9
467.19067	5.6
513.68713	0.9
519.29346	8.6
684.24420	0.8
710.84454	0.9
745.41345	100.0
746.41925	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28794	2.1
53.03946	3.0
54.10695	2.7
55.05505	12.3
57.03443	7.7
57.07069	18.3
61.02932	4.2
61.90367	2.0
65.03930	2.2
67.05501	91.2
69.03419	4.2
69.07059	11.2
69.31974	4.4
69.32377	19.5
71.04990	19.3
73.02904	2.5
79.05488	35.3
81.03436	3.7
81.07056	45.3
81.07512	2.9
83.05000	6.1
83.08639	9.1
85.02921	5.0
85.06537	24.5
91.05471	22.9
93.07045	38.5
95.04967	5.4
95.08606	27.3
97.02918	5.1
97.06535	3.4
97.10195	3.3
99.03426	2.0
105.07043	11.6
107.08584	17.9
109.02918	2.9
109.06558	2.8
109.10151	53.9
111.08055	3.5
117.07045	4.1
119.08581	15.0
121.10135	14.3
127.03947	6.6
131.08591	6.9
132.37300	2.1
133.10159	6.2
135.11688	14.5
137.09650	7.8
145.10156	7.0
147.11676	4.0
155.10701	3.0
173.11734	7.0
181.12276	3.0
191.67799	2.2
211.09686	3.9
211.13245	2.2
227.12735	4.7
243.16003	3.3
247.64952	2.4
255.15968	3.9
261.22229	4.1
287.18552	15.7
335.25757	25.2
393.77899	2.1
489.35699	100.0
490.35776	2.5
515.37286	12.7
547.39941	71.8
745.40900	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33817	2.3
52.38083	2.0
52.38343	1.9
53.03918	2.8
55.01868	2.7
55.05517	12.1
57.03424	8.2
59.04976	4.1
65.03919	3.3
67.05503	94.2
69.03404	3.5
69.07059	10.2
70.02434	10.8
71.04984	21.1
79.05495	38.9
81.03419	3.6
81.07050	43.0
83.08609	7.9
85.02889	3.3
85.06532	3.5
91.05474	24.1
93.07036	41.0
95.04944	2.8
95.08598	27.6
97.02890	2.1
97.06532	2.8
97.10126	3.4
104.80750	2.0
105.01588	2.3
105.07026	10.5
107.08595	17.6
109.06531	3.1
109.10151	54.4
117.06991	6.3
119.08575	16.9
119.85791	1.9
121.10152	13.5
123.11636	2.9
125.09545	2.6
131.08524	5.6
133.10117	8.4
135.11696	15.2
137.09599	7.3
137.67090	2.1
142.13821	2.2
145.10117	2.8
147.11734	3.7
149.13245	2.7
151.78485	2.0
172.17461	1.9
173.11705	7.2
173.13181	3.4
247.31506	2.4
249.80995	2.1
255.15903	2.5
259.14075	2.2
277.72565	2.0
287.18515	16.9
335.25754	27.4
356.26242	2.0
391.68204	2.2
397.30627	2.3
471.34698	3.0
489.35730	100.0
503.36572	3.9
515.37384	10.8
547.39966	79.3
548.40051	2.9
616.60803	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01872	3.4
55.05510	10.8
55.05742	2.0
57.03421	9.2
57.07062	2.2
61.02925	3.1
64.22167	1.7
67.05503	39.8
69.03429	3.2
69.07072	12.4
69.95699	10.5
71.04991	1.9
79.05495	38.4
81.03397	4.3
81.07053	38.8
83.04982	5.6
83.08620	4.9
85.02914	5.2
87.04444	4.2
91.05477	20.7
93.07038	48.2
95.04974	5.5
95.08606	29.6
97.06533	3.6
105.07025	7.9
107.08589	22.6
109.06513	2.5
109.10158	9.4
117.07018	4.8
119.08547	8.4
121.10131	45.5
123.08041	4.2
123.11709	2.8
129.07010	2.5
131.08554	22.6
133.10158	5.6
135.11713	6.6
139.11177	3.3
145.10156	2.7
147.11676	3.4
148.19308	1.8
149.09601	16.2
149.13252	3.4
159.11734	4.7
161.13297	4.3
163.14789	1.9
167.10710	13.6
173.13297	2.9
185.11781	2.9
185.71605	1.7
195.10120	3.7
213.11295	2.5
214.20738	1.9
241.14331	3.1
243.21089	4.0
261.22083	17.1
269.13831	4.6
287.14899	54.6
317.24609	2.9
335.25784	100.0
336.26367	1.9
446.01843	2.0
529.34863	1.9
547.36255	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01858	1.3
55.05257	1.0
55.05505	12.2
56.60780	0.7
57.03439	8.2
61.02910	2.4
65.03928	1.8
67.05503	30.4
69.03428	4.4
69.07065	6.3
70.07791	0.6
70.72862	2.5
71.04983	3.1
79.05489	26.1
81.03417	36.7
81.07053	30.3
83.04978	9.8
83.08615	17.9
85.02900	14.6
85.06541	2.0
89.35434	0.8
91.03980	1.0
91.05480	18.1
93.07040	22.0
95.04963	13.7
95.08604	21.2
95.99692	0.7
97.02901	2.8
97.06516	2.7
97.10169	2.9
99.08075	1.2
103.05489	0.7
105.07027	14.0
107.04951	2.1
107.08575	10.9
109.06511	2.4
109.10152	6.2
111.04414	1.4
111.08075	6.7
112.57265	0.7
112.79157	0.8
113.06009	1.6
115.05444	0.9
117.07009	2.7
119.08574	13.6
121.06464	0.9
121.10137	10.0
123.08054	1.3
123.11692	2.5
125.09630	1.4
127.61091	0.7
129.07005	4.8
131.08565	7.8
133.06485	1.6
133.10120	6.2
135.11714	4.0
137.09612	1.4
137.13200	1.1
139.74341	0.7
142.07788	0.9
145.10138	2.9
147.08037	2.0
147.11673	9.5
149.09621	3.6
149.13286	1.9
157.10114	7.5
159.11710	1.4
161.13246	1.8
163.11130	0.7
163.14804	1.0
165.12730	1.4
175.11192	8.7
177.16490	0.9
187.14813	0.9
193.12233	29.0
203.44853	0.7
211.13278	45.1
227.12758	1.0
243.21092	1.6
261.22147	4.8
267.15878	7.6
269.00848	0.7
285.16946	34.9
301.25510	0.9
308.29486	0.9
317.24750	1.6
327.64603	0.9
335.25784	39.8
336.26233	0.8
342.11493	0.7
342.48233	0.7
435.32657	1.0
453.33795	1.5
527.37354	7.9
545.38354	100.0
546.38739	2.4
727.58191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94848	1.1
53.03942	4.1
54.83661	1.0
55.01867	2.3
55.05511	18.3
57.03437	15.7
57.07059	1.5
61.02916	4.1
65.03928	2.5
67.05503	53.8
69.03421	2.7
69.07056	11.4
70.02832	4.2
71.04983	4.0
79.05125	1.1
79.05486	39.2
81.03413	56.1
81.07053	53.3
83.04976	14.6
83.08617	24.3
85.02896	21.6
85.06536	2.6
88.94780	1.1
91.05479	36.4
93.07042	41.5
95.04964	28.1
95.08607	33.6
97.02900	3.7
97.06522	3.9
97.10197	5.7
99.08063	1.6
105.07029	27.7
107.04939	6.0
107.08583	19.9
109.06522	5.0
109.10146	13.3
111.04408	1.4
111.08083	10.3
113.05991	2.2
115.05396	2.0
117.07013	4.8
119.08569	20.8
121.06475	1.7
121.10144	15.4
123.08039	3.6
123.11703	3.8
125.09668	1.7
129.07001	7.5
131.08562	15.4
133.06433	1.2
133.10115	15.5
135.11674	9.3
137.09602	2.8
142.07776	2.6
145.10109	5.5
147.08041	3.3
147.11671	17.6
149.09602	5.5
149.13271	4.4
154.67883	1.1
157.10127	13.3
158.38316	1.1
159.11687	4.6
161.13303	2.9
163.14856	1.4
165.12759	3.3
173.13313	2.6
175.11192	12.2
175.14809	1.4
187.14850	1.5
193.12239	47.6
201.16472	1.4
211.13277	78.9
231.78009	1.2
243.21069	5.0
249.14873	1.4
261.22086	10.8
267.15881	15.1
274.11972	1.1
285.16962	85.4
286.17133	1.8
317.24817	2.9
335.25784	76.4
338.98053	1.2
355.93814	1.2
406.19269	1.2
435.32611	2.4
453.33542	1.7
471.34821	2.0
527.36951	10.3
535.41254	1.3
545.38361	100.0
546.38440	3.4
561.64594	1.2
627.19696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.5
53.04133	0.6
55.01845	2.4
55.02078	0.7
55.05509	19.6
57.03437	17.7
57.07055	1.5
61.02224	0.6
61.02620	0.6
61.02906	4.5
63.18816	0.6
65.03939	3.1
67.05501	61.6
68.05820	0.7
69.03420	5.0
69.07065	15.0
69.79982	1.1
69.80383	2.9
71.04987	5.6
71.08604	0.9
73.02897	2.0
79.05490	43.6
81.03415	50.6
81.07053	63.2
83.04974	13.2
83.08614	21.9
84.97210	0.6
85.02900	23.4
85.06506	2.2
87.56308	0.7
89.06004	0.7
91.03922	1.7
91.05476	41.1
93.07038	44.9
95.04372	1.1
95.04966	23.1
95.08601	40.0
97.02888	4.0
97.06509	4.7
97.10175	3.9
99.04380	0.7
99.08073	1.8
103.05469	0.8
105.04510	0.8
105.07024	25.9
106.32378	0.6
107.04968	4.9
107.05568	1.0
107.08592	22.6
109.06517	4.9
109.10153	15.6
111.04437	1.7
111.08073	8.3
113.05975	1.8
115.05421	1.3
115.38520	0.6
117.07011	6.2
119.08579	23.0
121.06495	1.7
121.09325	1.2
121.10137	22.6
123.08012	2.3
123.11699	4.5
125.09580	1.9
127.03884	0.8
129.05569	0.7
129.06996	10.4
130.55392	0.8
131.08568	15.0
133.06448	1.9
133.10118	14.3
135.08061	0.8
135.11693	9.0
137.09576	2.4
139.11104	1.1
142.07739	2.8
143.08490	0.8
145.10123	7.2
147.08015	3.0
147.11682	15.7
149.09596	5.9
149.13280	5.4
155.08531	1.0
157.08916	1.1
157.10112	12.1
159.11639	4.1
161.13274	3.4
163.11096	1.8
163.14778	2.3
165.12741	2.2
173.13251	4.1
175.11189	10.3
175.14726	1.6
177.16417	0.8
184.07239	0.8
187.14799	1.8
193.12231	34.4
211.13286	48.0
227.12793	0.8
227.20084	3.0
243.20998	2.4
261.22128	12.0
267.15878	13.4
269.27859	0.7
283.15387	0.9
285.16956	54.9
286.17255	1.7
301.25095	0.9
317.24753	2.3
335.25787	94.8
336.26196	2.7
428.84250	0.6
435.32736	1.9
453.33734	1.2
469.48557	0.7
505.02182	0.7
527.37317	14.0
545.38342	100.0
546.38776	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61718	0.6
53.00300	0.6
53.03938	2.7
55.01862	1.6
55.05509	12.2
56.52340	0.7
57.03432	9.3
57.07060	1.2
59.49539	0.7
61.02915	1.6
65.03934	1.8
67.01823	0.5
67.05505	32.1
69.03423	2.4
69.07069	8.6
69.92077	3.5
71.04993	3.0
79.05492	24.0
79.05959	1.2
81.03415	34.9
81.07053	33.3
83.04977	7.3
83.08617	14.4
85.02908	14.3
85.06538	1.3
91.05476	21.0
93.07041	25.8
95.04964	12.8
95.08606	22.3
97.02883	2.6
97.06535	3.4
97.10159	3.1
99.08100	0.8
103.05473	0.6
105.07027	14.0
107.04975	3.3
107.08588	14.0
109.06524	2.8
109.10150	8.6
111.04451	1.4
111.08076	6.6
111.29642	0.6
113.06007	1.6
115.05410	0.9
117.07043	3.1
119.08577	10.7
121.06531	1.2
121.10133	12.6
123.08044	1.6
123.11669	4.0
125.09631	0.9
129.07018	4.5
131.08566	8.7
133.06516	1.4
133.10121	8.1
135.08028	0.9
135.11671	6.2
137.09624	1.6
137.13179	1.1
142.07800	1.1
145.10162	3.5
147.08014	1.3
147.11681	9.7
149.09645	2.9
149.13283	2.7
151.11220	0.7
157.10130	7.1
159.11714	2.2
161.13252	1.6
163.14848	1.2
165.12775	2.0
172.06717	0.6
173.13278	2.2
175.11200	7.1
193.12236	25.1
211.13284	37.7
227.12712	0.9
243.21103	1.8
261.22156	6.8
267.15851	7.4
284.32394	0.7
285.16965	38.8
306.28122	0.7
308.29404	1.0
317.24631	1.6
335.25781	65.7
336.26132	2.1
429.21457	0.7
435.32587	1.2
453.33481	0.9
527.37354	9.1
545.38348	100.0
546.38849	4.8
601.82709	0.8
625.03046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01863	6.4
55.05501	20.9
56.46506	2.0
57.03433	16.9
57.07071	4.3
61.02911	5.9
67.05500	49.1
69.03417	3.7
69.07052	16.0
71.04993	3.4
71.60191	3.4
71.60545	3.2
73.02917	3.1
79.05489	44.1
81.03408	10.3
81.07051	53.3
83.01324	8.9
83.04968	7.4
83.08624	13.6
85.02940	11.4
85.03381	2.2
91.03964	3.3
91.05477	26.9
93.07035	54.6
95.04966	9.9
95.08601	42.6
97.02867	2.5
97.06511	5.4
99.04462	4.0
105.07025	15.2
107.04943	4.7
107.08581	28.8
109.06544	4.4
109.10146	12.4
111.08110	2.7
117.06961	11.6
119.08584	13.9
121.10141	22.6
123.08045	12.0
123.11711	7.4
129.06941	3.2
131.08546	7.7
133.10107	8.0
135.07919	3.2
135.11693	20.9
137.09560	2.3
141.54027	2.2
145.10100	20.5
147.11740	5.2
149.09615	3.3
149.13264	7.9
153.12729	3.1
159.11678	7.5
161.13196	3.3
163.11153	21.6
163.14888	3.7
173.13269	5.1
181.12193	3.6
191.10791	3.4
209.11665	8.3
227.12727	11.2
243.21089	5.4
261.22134	19.9
283.15381	100.0
284.15775	3.7
299.23560	3.2
317.24805	5.5
335.25775	92.6
336.26208	3.3
451.32211	3.3
520.86066	2.6
525.35376	3.1
543.36768	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01868	4.2
55.05508	18.1
57.03438	9.4
57.07070	1.4
61.02922	1.5
65.03922	1.4
67.05504	47.1
69.03391	1.5
69.07075	13.2
70.31749	2.1
70.32156	3.1
71.04993	4.0
73.02905	1.5
79.05493	42.9
81.03413	3.2
81.07056	49.4
83.05001	3.3
83.08615	11.9
84.13366	1.3
85.02912	2.1
91.05478	18.5
93.07039	57.9
95.04958	9.6
95.08602	55.7
95.09219	1.2
97.02887	4.4
97.06545	5.1
97.10183	2.4
99.04461	3.2
105.07018	13.7
107.04933	7.7
107.08595	41.1
107.39119	1.2
109.06525	2.9
109.10152	12.8
115.38924	1.2
117.07018	13.5
119.08585	14.0
121.06502	5.8
121.10144	22.6
123.11681	3.9
125.05978	2.9
130.07771	1.6
131.08586	5.4
133.10109	7.8
135.08086	2.7
135.11688	56.4
139.07576	1.8
145.10112	28.8
147.11684	1.9
149.13261	3.9
159.11693	3.4
161.13261	1.7
163.11185	65.1
163.14903	1.9
173.13264	1.9
181.12236	9.3
209.11816	1.8
221.20619	1.4
227.12778	81.2
228.12976	1.6
243.21053	3.0
244.83214	1.6
261.22128	8.3
283.15399	98.0
284.15964	1.2
295.23550	1.3
306.27893	2.1
317.24750	3.5
335.25797	100.0
336.26279	2.0
374.50003	1.6
543.36786	85.1
544.37323	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01860	5.7
55.05262	2.1
55.05506	23.1
57.03437	17.1
57.07068	4.5
59.04993	1.5
61.02935	2.7
63.77387	1.7
65.03949	1.9
67.05502	47.6
69.03429	2.6
69.07070	13.7
70.09286	7.0
71.04971	2.2
79.05051	3.1
79.05489	39.4
81.03418	12.9
81.07056	44.2
82.18034	1.6
83.01335	8.5
83.04555	1.7
83.04977	12.1
83.08622	13.3
85.02911	9.2
91.03969	2.1
91.05484	21.5
93.07038	40.8
95.04948	10.5
95.08612	32.4
96.53870	1.7
97.02891	6.3
97.06516	6.0
97.10176	5.2
98.20866	2.1
98.52705	1.7
99.04487	2.5
99.08058	2.4
103.05438	1.8
105.07024	19.0
107.04940	4.6
107.08594	26.2
109.06506	7.1
109.10172	11.9
111.08097	4.3
117.07013	14.8
119.08572	16.9
121.06477	4.4
121.10141	17.7
123.08073	6.4
123.11714	4.6
125.09646	5.6
130.07767	2.7
131.08569	10.7
133.10117	9.7
135.08060	2.6
135.11705	17.8
145.10114	17.4
147.08049	2.1
147.11624	3.5
149.13219	5.2
153.12685	2.9
159.11676	6.5
161.13272	3.4
163.11191	21.8
163.14781	2.9
171.11703	2.2
173.09605	4.1
173.13284	4.3
181.12151	2.8
184.07349	4.6
187.14801	3.6
189.11192	4.3
191.10641	2.1
209.11763	6.4
227.12848	9.0
243.21095	3.8
259.20621	2.1
261.22037	10.3
267.15799	3.3
283.15393	100.0
299.23663	4.6
309.18793	2.0
317.24643	3.9
335.25787	73.1
451.31979	3.3
469.33371	2.7
525.35638	4.9
543.29352	3.0
543.36890	44.1
561.37109	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01871	3.4
55.05511	14.0
57.03439	8.8
58.80647	1.2
61.25156	1.1
64.66393	1.3
65.03942	2.1
65.96082	1.2
67.05506	38.5
67.05865	2.0
69.03426	2.0
69.07070	11.3
71.04998	3.2
79.05492	36.8
81.03407	1.9
81.07059	41.5
83.01373	1.3
83.04981	3.4
83.08604	7.1
85.06523	1.4
91.05470	12.9
92.25653	1.3
93.07046	45.6
95.04964	5.8
95.08606	43.6
97.02866	2.3
97.06538	4.8
97.10189	1.8
98.20709	2.7
99.04470	3.0
99.08049	1.5
105.07021	10.7
107.04973	5.2
107.07878	1.9
107.08592	30.2
109.10155	11.2
111.04443	1.2
111.08080	3.1
117.07024	11.7
119.08574	12.3
121.06483	3.3
121.10137	18.5
121.92342	1.2
123.08022	2.2
125.05989	2.4
125.09649	1.8
131.08575	4.7
133.10161	4.8
135.08025	2.9
135.11687	38.3
144.81723	1.2
145.10124	24.2
147.11755	2.7
149.13228	3.1
159.11705	2.5
161.13257	2.5
163.09824	2.6
163.11191	41.9
163.14769	1.5
181.12259	5.6
187.14827	1.7
198.87665	1.3
204.57732	1.4
227.12778	52.6
229.30339	1.4
261.22208	7.8
280.20959	1.3
283.15402	52.6
317.24725	2.2
335.25793	100.0
336.26071	2.6
386.90234	1.5
541.44348	1.6
543.36816	79.7
544.37280	3.1
719.32678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96291	0.7
56.96563	11.2
69.03415	0.6
69.90428	1.2
69.90857	1.7
70.06586	1.0
71.95260	0.5
74.97609	0.6
77.55774	0.4
81.03399	0.5
82.53343	0.5
83.08603	0.4
84.08110	0.6
84.96032	6.7
85.02895	1.1
86.09676	0.9
95.08575	0.5
97.02891	0.5
98.97580	26.7
102.97054	1.8
110.97566	3.2
112.99106	1.0
116.98618	24.5
117.07031	0.5
120.98075	0.6
124.55312	0.5
126.97096	0.4
128.98592	8.5
131.00200	4.3
134.99649	17.3
140.00172	0.7
140.98631	1.9
143.00140	3.4
144.98083	2.0
146.99644	12.0
149.01210	4.3
152.98616	2.5
153.00667	2.4
155.00146	0.7
157.05342	0.6
158.01245	1.2
158.99657	9.0
161.01219	10.2
162.99139	6.4
163.03891	0.5
165.00743	2.5
167.02374	0.6
170.99641	7.3
173.01250	2.5
173.04842	0.6
175.06367	2.4
177.00705	18.4
179.02277	2.4
181.00148	1.6
185.01216	0.8
189.00719	6.2
191.02269	3.1
195.01801	2.6
199.06401	4.7
200.02278	1.2
201.00644	3.2
203.02277	0.8
207.01724	0.6
213.00752	0.6
217.07509	4.0
219.01750	18.3
227.05922	0.8
235.08534	0.5
237.02814	44.2
238.03046	0.6
241.07458	3.3
242.03406	1.0
243.10193	1.0
245.06824	0.8
253.07523	1.5
255.03912	5.3
259.08450	0.8
260.04477	2.0
261.02850	1.3
269.12582	0.5
301.09564	55.0
302.09930	1.0
319.10629	100.0
320.11035	2.3
342.12265	7.8
343.10617	50.3
344.10938	1.1
361.11688	56.9
362.12097	1.1
384.13214	3.3
385.11722	2.1
387.09622	28.7
403.12762	4.4
405.10464	0.6
409.37000	0.6
428.12204	0.9
605.24695	1.1
758.31152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5612
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.05516	7.7
56.05018	4.7
57.07074	3.1
59.38839	1.7
60.04525	62.4
61.17981	1.5
65.49897	1.5
67.05499	12.8
69.07079	9.3
70.06572	3.1
71.08628	2.4
71.59562	1.6
72.04503	2.6
74.06047	2.2
79.05486	6.7
80.05019	1.5
81.03388	2.9
81.07058	13.0
82.06581	3.1
83.08606	5.6
85.10174	1.9
86.06078	2.5
90.05523	2.8
91.05457	6.7
93.07027	8.1
94.06550	4.3
95.04958	2.1
95.08595	11.3
97.10125	1.8
98.06047	2.1
100.07631	1.4
105.07021	7.5
107.08573	3.3
107.59996	1.7
109.10145	5.1
118.29185	1.5
119.08563	4.3
121.10124	3.9
123.08024	1.7
123.11732	2.7
133.10110	4.5
135.11694	3.1
147.11617	2.0
245.22632	2.7
250.25337	1.9
254.24828	2.3
260.23621	1.7
262.25299	31.8
263.23749	4.6
272.25732	5.7
280.26324	19.9
298.27313	7.9
314.26700	2.3
316.28256	1.8
467.20352	1.7
516.47278	2.4
534.48688	13.1
552.49841	100.0
570.50867	27.3
654.14941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	60.3
67.05506	1.0
70.33765	3.3
71.95264	0.9
74.97610	5.9
79.05481	1.1
81.07047	2.4
84.96032	12.9
91.05479	1.4
92.98650	1.6
93.07034	1.6
95.08588	2.9
97.96799	1.2
97.99106	0.9
98.21398	0.9
98.96944	0.8
98.97579	14.7
102.97051	2.6
103.14945	0.9
105.07011	1.1
107.08577	1.9
109.10175	2.1
109.60266	0.8
110.97568	3.3
112.99130	1.0
116.98615	18.4
119.08589	1.7
120.19805	0.7
121.10130	2.2
123.11716	0.9
126.97037	2.3
128.98598	10.5
131.00175	4.5
131.08566	1.4
133.10115	1.7
133.88335	0.8
134.99657	13.6
135.11694	1.1
136.37796	0.8
137.27338	0.8
140.00191	1.6
143.00134	1.6
144.98065	13.2
145.01682	2.0
145.10147	2.1
146.99644	14.3
147.11639	1.3
149.01248	7.4
152.98582	3.6
153.00673	2.2
158.99658	3.7
159.03206	1.8
159.11783	1.1
161.01186	2.3
161.13293	1.2
162.99155	25.8
165.00731	2.0
167.99623	0.9
170.01241	1.1
170.99658	10.2
173.01190	1.0
174.99130	1.5
175.14847	1.5
177.00768	4.4
177.04361	1.5
181.00169	4.8
186.00722	2.1
186.99060	1.1
189.00722	8.6
190.98659	4.1
191.02173	1.6
194.01289	1.3
200.02208	0.8
205.00229	2.4
205.45750	0.8
207.01880	1.0
208.99646	1.1
212.02277	1.0
232.99710	2.2
251.00795	1.2
302.10721	0.8
465.30728	1.0
467.28391	2.8
477.27234	1.5
479.32361	1.7
483.31332	2.4
485.28680	2.2
485.33203	2.7
495.31451	2.3
497.29163	3.0
497.34348	1.2
499.31128	1.4
501.32779	6.4
503.27179	1.4
503.34067	19.9
504.34103	0.9
513.32788	4.9
515.34973	13.7
516.34326	1.0
519.33606	1.8
525.31915	1.1
526.35315	1.2
531.33691	10.5
533.35175	41.9
534.35254	1.7
538.35773	1.2
543.33380	2.9
551.36053	4.4
556.36603	3.4
557.35095	5.3
561.34357	5.1
569.35229	5.4
575.36145	14.8
585.34344	7.7
587.36096	16.4
589.37250	2.5
597.34637	1.4
598.38055	1.5
603.35687	17.7
610.37585	3.4
611.36255	1.8
613.33551	1.6
615.36206	2.0
626.36847	2.3
631.35236	6.4
638.35980	1.3
647.37714	2.6
655.35083	2.4
665.39746	1.5
673.36041	19.2
674.35931	1.2
691.37280	100.0
692.38409	4.6
709.38354	16.6
714.39111	10.4
732.39783	6.4
733.38416	24.0
755.40723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.7
56.05022	5.2
57.07061	6.2
57.87924	1.7
60.04527	61.1
67.05503	12.6
69.07063	10.2
70.06577	2.3
71.08627	4.4
71.49947	4.7
72.04505	3.3
73.19967	1.9
74.00734	2.2
74.06077	2.7
75.48663	1.7
75.97915	1.8
79.05488	8.8
81.03377	2.8
81.07053	15.6
82.06573	2.9
83.08624	11.2
83.49986	2.0
86.06058	2.5
90.05543	2.8
91.05490	9.2
93.07039	6.9
94.06570	6.0
95.08612	14.9
96.08110	2.5
97.10171	4.3
105.07026	2.5
107.08570	5.0
109.10168	6.3
113.09645	1.8
119.08592	3.7
121.10155	4.0
122.09641	2.0
133.10143	4.1
135.11707	2.0
147.11743	2.0
245.22591	2.7
250.25351	2.0
262.25281	27.5
263.23749	4.2
268.26416	2.3
272.25812	8.1
280.26367	22.9
298.27417	7.6
344.62012	2.1
394.47339	2.0
396.25891	2.2
474.01312	2.0
478.18924	2.5
534.48889	15.8
552.49915	100.0
570.50818	24.1
619.76025	2.0
764.59033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.6
65.03934	8.0
66.84737	0.5
66.91175	0.4
69.03434	1.5
70.06580	0.6
71.59742	0.7
80.01754	0.5
84.08152	0.8
85.02901	5.5
91.05485	0.5
93.03389	2.9
96.20267	0.5
97.02891	1.4
99.04422	0.6
105.07018	1.1
110.03667	2.0
111.04443	29.5
115.05450	13.2
117.07011	2.3
119.08638	0.6
121.12080	0.5
122.03674	0.6
125.05993	26.8
127.03915	1.6
128.06149	0.6
131.04939	1.0
132.05727	0.8
133.06499	1.0
137.05974	17.8
143.04930	10.8
144.05693	1.9
145.05000	2.9
147.08063	1.6
151.03906	0.8
153.05464	100.0
160.05193	16.6
161.05991	3.2
163.05983	1.1
163.07448	0.6
170.30356	0.5
171.04454	1.3
175.07545	68.2
177.05461	1.0
181.04968	1.9
184.18365	0.6
191.07050	1.0
193.08606	2.4
203.07034	20.7
205.06496	0.5
211.07568	0.8
221.08080	10.1
222.06760	0.6
234.06755	2.2
237.09103	2.7
239.06949	0.7
240.07808	1.1
241.81897	0.5
247.07680	0.6
249.09151	1.0
250.06329	0.8
256.07373	1.0
265.08563	6.5
271.09665	7.4
277.08585	4.5
282.08936	1.2
291.10083	0.7
297.11200	5.8
297.82422	0.5
299.13022	0.5
309.11221	3.9
327.12296	3.6
337.10715	1.1
355.11609	1.6
395.72589	0.5
411.65869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38413	0.4
53.03941	0.5
55.05504	0.8
56.05025	1.3
57.03416	0.5
58.99588	2.2
58.99822	0.4
61.01146	0.9
61.02911	0.6
66.68447	0.4
67.05490	1.1
69.03423	3.0
69.07064	0.8
70.02955	7.2
70.06570	0.5
71.04961	0.6
71.06092	0.5
73.02898	1.8
74.00652	1.2
74.02420	0.9
76.02230	4.2
76.04008	3.4
78.60468	0.4
79.05492	2.4
80.04996	0.8
81.03414	1.5
81.07058	4.4
82.06551	0.8
82.55700	0.6
83.06097	4.6
84.04498	5.8
85.02898	4.6
86.99054	0.6
87.04477	0.4
88.02213	5.6
88.03982	1.6
91.04954	0.6
91.05480	5.1
93.07047	4.4
95.04977	0.6
95.08605	1.6
96.04473	0.7
97.01102	1.4
97.02868	1.8
99.02669	0.6
99.04459	0.6
99.05573	3.5
100.02187	0.6
100.03972	0.4
102.00074	0.7
102.76511	0.4
103.05495	0.5
105.07021	8.6
105.22139	0.4
107.04953	0.8
107.06072	0.6
107.08578	1.2
108.04522	0.6
109.02852	0.6
109.07629	4.2
110.06046	0.6
111.02636	1.0
111.04465	0.5
112.03922	0.8
115.05461	1.3
116.01670	5.6
116.03442	1.1
117.07028	7.8
119.08579	4.8
121.10145	0.8
123.02640	1.0
125.07138	0.7
127.03921	1.0
127.05022	0.7
127.97671	0.4
128.01651	0.9
128.06195	2.8
129.06902	7.7
130.03270	0.7
130.05006	4.4
130.07764	1.5
131.08569	13.0
133.06497	0.7
133.10144	1.0
135.02634	1.5
135.05540	0.7
136.03975	0.8
137.04230	0.6
137.06003	0.6
141.06970	2.7
142.03209	1.1
142.07732	2.5
143.01672	0.6
143.02766	0.9
143.08556	22.7
144.01102	2.0
144.09355	1.1
145.06075	38.5
145.10109	23.7
146.02658	0.5
147.02640	3.7
147.08035	1.3
147.11679	3.9
149.04207	1.2
149.05942	0.7
151.05760	0.5
151.07588	0.6
153.06596	2.8
154.07768	1.5
155.08347	8.1
156.09352	2.9
157.06464	1.8
157.10130	4.7
158.07219	0.5
159.08009	1.1
159.11652	2.1
161.04207	4.5
161.05983	1.0
161.09662	0.7
162.02194	6.3
163.05746	3.0
165.06924	1.1
166.07758	1.5
167.08553	0.7
168.09317	0.6
169.06149	0.7
169.10115	11.1
170.02641	0.6
170.10901	1.6
171.08151	1.8
171.11685	27.2
172.12212	0.5
173.09630	3.6
173.13261	17.8
174.02269	0.8
174.13605	0.4
175.05750	1.2
175.07533	2.6
175.11269	0.7
175.14815	1.5
177.07379	0.7
177.09135	1.5
179.04866	2.5
179.08560	0.8
180.09320	0.6
181.06122	1.2
181.10120	4.6
183.11681	1.8
184.08806	0.9
185.09607	1.4
187.05582	1.7
187.07339	0.4
187.11192	2.0
189.03372	1.3
189.07446	0.6
189.09122	0.9
189.12770	1.4
192.87903	0.5
195.11702	1.5
196.76619	0.5
197.02664	0.6
197.09581	2.1
197.13327	0.7
199.07162	3.5
199.11172	15.1
201.07350	0.7
201.12697	2.5
203.08876	10.8
203.10480	0.5
205.10486	2.9
207.04710	0.6
208.06001	0.4
209.06322	2.9
209.09610	0.4
210.08607	0.5
211.07204	1.4
211.11211	0.4
213.07317	0.6
215.10696	1.7
217.10150	0.8
217.12230	14.7
219.13835	2.2
221.09903	0.9
227.10623	5.6
229.10472	3.4
231.08406	4.2
231.11958	1.1
233.05960	1.9
233.09824	0.7
245.05980	0.6
245.11703	4.7
246.13142	0.6
249.09430	8.4
251.10982	1.5
256.09100	0.6
257.10007	1.6
259.07977	0.5
263.12842	1.5
274.10107	3.2
274.13065	1.8
275.10971	3.2
277.08945	3.2
285.09833	0.4
292.13623	1.7
295.09991	3.9
302.12027	2.7
303.10477	1.0
308.09363	0.6
320.13174	3.3
321.11514	0.6
332.13315	0.7
338.14188	16.7
348.12665	2.5
360.12689	0.5
377.15247	1.4
378.13699	2.4
395.16061	0.8
404.15091	0.5
405.14917	1.5
406.13312	1.4
423.15988	3.9
424.14236	9.6
441.16898	100.0
442.17325	1.4
449.17236	0.8
451.19214	0.6
477.16885	1.5
483.17865	0.9
495.17996	18.5
500.19446	1.6
507.17746	2.5
552.19867	0.8
570.21155	33.2
571.21527	1.1
603.21503	1.0
657.23267	1.6
732.26141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	86.3
60.40862	1.3
64.71967	1.1
67.05522	1.3
70.23148	5.4
74.97598	7.0
81.07054	1.7
84.96033	15.2
95.08592	1.5
98.20833	1.5
98.82349	1.1
98.97585	16.1
102.97081	3.9
105.07040	1.5
110.97562	2.4
116.98623	14.1
121.09321	1.2
121.10144	1.8
126.97073	1.2
128.98586	11.4
131.00175	3.1
134.99644	10.2
140.00172	1.6
144.98065	12.3
146.99649	14.3
149.01228	6.6
152.98621	3.2
153.00673	1.7
158.01337	1.5
158.99664	3.5
159.03212	2.8
161.01234	2.9
162.99156	29.9
165.00717	2.3
167.99756	1.4
170.99701	11.6
173.01170	1.5
173.04842	2.0
177.00752	4.3
177.04482	1.7
181.00197	4.7
186.00679	1.9
186.99109	2.6
189.00705	9.3
190.98611	2.8
193.56752	1.4
194.01259	1.4
205.00174	2.3
214.96559	1.4
232.99715	1.8
335.25729	1.9
338.31927	1.2
410.24506	1.2
467.28333	3.2
479.28244	1.3
483.31430	4.2
485.29465	5.0
495.31622	2.5
497.29367	5.0
501.32785	17.1
506.32916	1.6
511.31558	2.0
513.32562	17.6
515.30493	6.6
517.31665	1.9
523.30334	1.9
524.33771	1.3
529.32007	2.8
531.33588	44.1
536.33606	1.6
541.31897	4.0
549.34784	2.4
554.35187	4.8
555.33453	4.2
559.32837	11.3
567.33630	4.8
573.34552	14.4
583.32880	7.1
585.34698	16.3
587.35980	2.3
596.36584	1.6
601.34186	23.3
608.36133	2.5
611.32556	3.1
613.33813	2.3
624.35950	2.9
629.33551	8.3
645.36578	3.1
653.33521	2.8
656.26013	1.8
671.34723	19.1
689.35699	100.0
690.35333	1.8
707.36884	19.1
712.36926	12.2
730.37848	8.3
731.37048	17.9
731.72662	1.5
732.34265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51232	0.5
53.03965	0.7
55.01869	0.6
55.05516	1.3
57.03435	1.6
58.72352	0.6
59.04985	0.8
61.02922	3.8
67.05503	2.4
68.33318	0.5
69.03445	3.0
69.07092	1.0
70.06599	1.4
71.05005	1.4
71.59872	0.8
73.02911	2.5
79.05499	3.1
81.07068	2.7
83.04972	1.2
83.08627	1.5
85.02898	4.0
86.90961	0.6
91.03954	2.4
91.05470	3.7
93.07029	1.4
95.04976	2.4
95.08614	1.8
97.02896	3.4
97.06541	0.6
99.04478	0.8
101.02397	1.8
103.05438	0.7
105.07030	3.6
107.04961	1.1
107.08611	1.0
109.02927	0.7
109.06562	0.8
109.10180	0.7
111.08083	0.8
117.07008	0.7
119.04941	1.3
119.08603	1.8
121.06578	1.2
121.10153	2.1
127.03925	1.6
127.48423	0.6
129.07037	1.4
131.08583	1.4
133.06514	1.1
133.09181	0.6
133.10159	2.2
136.60539	0.7
137.05977	7.3
147.04430	1.3
147.11725	2.2
149.06036	0.8
149.09676	1.2
149.65268	0.6
150.13158	0.5
151.03906	0.6
157.10144	0.8
161.06003	2.4
167.07065	2.1
171.11742	0.6
175.07564	1.4
175.11220	1.6
187.07578	1.8
191.07065	0.6
193.12254	2.4
201.71707	0.6
211.13550	0.7
228.14644	0.6
243.08437	2.3
251.12807	0.8
283.15100	3.1
285.17245	0.7
297.11139	1.0
321.11295	0.8
335.13031	1.0
339.17755	0.8
347.12772	1.7
418.56937	0.7
453.35846	0.7
457.16501	0.8
469.20651	8.1
501.22961	9.5
553.53461	0.6
567.31537	0.8
639.29846	1.0
657.79669	0.7
729.36658	100.0
730.36945	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.05504	0.1
58.06579	0.2
63.02354	0.2
65.03929	1.1
65.78740	0.1
67.44529	0.1
69.03424	0.6
70.06575	0.3
71.04993	0.2
71.60163	0.2
72.08139	0.2
83.05026	0.6
83.05431	0.1
84.08144	1.9
85.02899	1.2
86.09690	0.3
91.05476	6.4
92.05777	0.1
93.07045	0.1
95.04955	0.2
97.02878	0.5
97.03459	0.1
99.04465	0.3
105.07052	0.2
107.04984	0.3
109.02890	0.8
109.06540	0.1
110.09682	0.3
111.04448	0.3
112.11236	3.3
119.04939	16.5
120.05274	0.2
125.68148	0.1
127.03933	0.3
129.13869	2.2
131.04875	0.2
137.05980	0.2
147.04404	100.0
148.04756	1.2
155.11780	1.5
157.10387	0.1
160.07542	0.2
161.33112	0.1
165.05499	0.9
204.10196	34.8
205.10492	0.6
257.08167	0.2
275.17517	9.7
276.17804	0.2
290.14249	0.1
291.08679	2.0
303.05142	0.2
309.09711	0.5
323.43842	0.1
373.11719	0.2
402.62186	0.1
421.23535	0.5
658.24908	1.1
729.32251	40.8
730.32709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01847	0.9
55.05512	0.9
56.71801	0.6
57.03423	2.1
59.04987	1.2
61.02919	4.1
67.05502	2.4
69.03425	1.8
69.07069	0.9
69.88966	3.7
70.06592	1.0
71.04978	2.0
73.02904	3.3
77.12284	0.6
79.05487	2.2
81.03408	4.4
81.07043	2.5
83.01340	0.7
83.04996	1.1
83.08611	1.5
85.02892	4.2
85.06532	0.7
91.03943	2.6
91.05498	2.5
93.07052	2.2
95.04977	2.0
95.08583	1.4
97.02892	2.6
101.02367	1.4
105.06996	1.3
107.04990	3.2
107.08597	1.9
109.02891	1.0
119.08579	2.4
119.34174	0.5
121.10165	1.5
123.08080	1.2
125.54449	0.6
127.03909	1.0
127.81187	0.6
129.07051	0.8
131.08524	0.7
133.10199	0.7
135.11653	0.8
145.10097	0.9
147.04414	0.8
147.11717	1.5
149.09575	1.4
157.10172	1.4
163.11194	2.2
176.61626	0.6
193.12250	0.9
206.90581	0.6
243.08501	2.8
267.15927	0.9
283.15182	5.1
410.49683	0.6
467.18970	10.2
467.25272	0.8
489.18582	0.7
501.22946	8.8
727.35046	100.0
728.35101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03946	1.6
55.01847	0.5
57.03428	0.7
57.46498	0.3
59.50032	0.2
68.36772	0.2
69.03427	6.3
69.26232	0.2
69.53745	1.4
69.54149	0.5
71.01350	0.2
71.04973	0.6
77.03935	0.4
79.05475	0.7
81.03416	7.8
85.02419	0.3
85.02902	4.3
91.05469	0.7
93.07044	0.4
94.09976	0.2
95.04940	1.6
97.02888	4.0
98.20855	0.3
99.04447	1.8
103.03924	0.5
105.04525	0.3
107.04950	100.0
108.05285	0.8
108.47545	0.2
109.02882	5.2
111.04432	0.3
119.04967	0.4
121.06528	0.7
127.03912	13.7
128.04303	0.3
129.06979	0.2
131.04918	4.4
135.04385	0.5
137.06000	0.4
139.03961	0.5
141.06996	0.4
144.05736	1.2
145.04956	1.6
145.06532	1.2
147.04413	0.7
149.05963	2.6
151.03909	0.7
153.05464	1.5
157.06509	0.5
159.08090	0.5
161.05923	0.3
165.05515	0.4
169.05057	0.3
169.06476	0.9
169.30856	0.2
171.04492	0.3
171.08122	0.3
173.05981	5.9
179.03433	0.3
185.05989	0.4
187.07504	1.2
189.05478	1.3
195.06532	0.6
197.05966	2.8
203.06915	0.5
215.07007	4.6
219.06468	1.4
231.06561	0.3
233.08083	0.6
235.05835	0.3
237.07558	2.9
243.06531	1.1
261.07538	2.6
262.07629	0.2
263.19385	0.2
279.08600	7.2
285.07632	0.5
291.08820	0.3
297.09641	0.7
303.08408	0.6
321.09824	0.6
327.17194	0.2
333.09805	0.7
345.09753	0.7
363.10864	0.7
367.11633	0.3
387.10788	0.7
405.11975	0.8
413.12357	1.1
431.13354	0.6
457.13016	0.3
503.13379	0.3
521.14478	0.3
539.15796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71867	0.1
53.03945	1.4
55.01661	0.2
55.01871	1.7
55.05487	0.1
57.03435	1.1
60.60399	0.1
61.02925	1.3
63.18452	0.1
65.03939	0.1
68.99789	1.1
69.03426	7.0
70.06590	0.7
71.04994	1.0
71.12695	0.1
71.39357	0.3
71.52071	0.1
72.08129	0.2
73.02908	1.2
73.29419	0.1
81.03415	6.9
83.01311	0.2
83.62740	0.1
84.08134	0.2
85.02901	15.2
86.09703	0.4
87.00289	0.3
87.00823	5.1
87.04462	0.3
91.03927	0.7
92.02602	0.5
93.03398	0.6
97.02274	0.3
97.02888	5.1
99.00757	0.1
99.04449	2.7
102.26741	0.1
105.01859	4.3
105.07025	0.2
107.04968	0.7
109.02874	7.2
111.00790	0.2
113.55875	0.1
115.03959	0.2
117.01836	0.8
120.08083	0.2
121.02867	0.7
126.03111	0.3
127.03909	10.6
129.01849	0.8
129.10191	0.2
137.02364	0.2
137.05930	0.2
138.05527	0.1
139.03903	0.8
143.43762	0.1
145.04953	3.9
147.02870	0.7
151.03874	0.7
153.01826	5.2
159.01529	0.2
159.02881	4.1
159.04239	0.2
163.03889	0.1
165.01823	0.5
173.06050	0.2
177.05464	0.3
183.02844	0.3
189.03882	0.3
200.04663	0.2
201.05511	0.5
203.03384	0.2
210.69081	0.1
213.03889	0.5
217.04948	0.5
218.05768	0.4
218.27948	0.1
228.04135	1.0
229.04942	2.4
231.02882	0.2
231.04984	2.0
239.96861	0.1
245.04500	0.6
246.05229	1.2
249.05907	0.3
256.03763	0.3
257.04385	2.0
257.48914	0.2
260.03040	0.2
261.07562	0.2
271.05905	0.2
273.03860	1.3
274.04718	4.0
284.03223	0.4
285.03931	3.7
286.04654	0.2
287.05557	0.4
288.06183	0.2
295.06113	0.1
302.04208	11.1
303.04550	0.2
315.04977	0.1
317.06540	100.0
318.06912	1.1
359.07547	0.9
479.11908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
56.96564	25.4
63.44772	0.4
69.03415	1.1
69.52703	1.6
69.53138	2.4
70.06573	1.1
71.17547	0.5
71.95275	0.4
74.97604	0.8
81.03401	0.6
84.04479	0.6
84.96027	8.4
85.02893	1.1
86.09667	0.8
91.05460	0.6
91.68835	0.5
96.96915	0.5
98.97578	31.1
102.97019	1.7
107.04936	1.2
110.97563	4.9
112.99110	1.6
115.00650	2.2
116.98615	29.1
124.99198	0.6
128.98610	12.8
131.00156	5.8
133.01778	2.8
134.99651	17.3
137.05980	0.8
140.00177	1.6
140.98582	2.3
143.00151	5.9
144.98088	3.1
146.99646	14.8
148.91478	0.5
149.01230	5.8
152.98662	2.3
153.00735	3.0
155.00104	0.7
157.05360	1.1
158.01218	1.1
158.99658	12.4
159.07970	0.6
161.01222	12.4
162.99127	5.5
165.00797	2.5
167.02193	0.8
170.01311	0.9
170.99643	7.9
171.08061	1.2
173.01234	3.8
173.04848	0.7
175.06418	3.1
177.00710	20.7
179.02278	2.8
181.00171	1.2
182.99582	0.7
185.01189	0.9
189.00731	5.6
191.02238	2.0
195.01765	3.8
199.06413	6.7
200.02242	0.9
201.00696	5.3
203.02260	0.8
207.01706	0.9
211.96254	0.5
212.97374	5.4
213.00714	0.6
213.07986	0.5
215.03806	0.5
217.07475	5.5
219.01733	21.9
223.06361	0.5
227.05928	1.1
230.98398	1.7
233.04895	6.8
235.02763	3.7
237.02808	50.5
241.07492	4.7
242.03349	0.7
245.06902	0.8
247.02806	0.7
251.05931	6.9
253.03853	2.9
253.07507	2.1
255.03874	4.4
255.06711	0.9
259.08597	1.2
260.04361	1.7
261.02728	0.8
265.03741	0.7
265.07529	0.6
271.06293	0.9
273.08005	11.0
279.03937	0.7
289.07611	1.0
291.08981	7.1
301.09561	57.7
302.09778	0.9
305.06989	0.5
315.08920	0.6
319.10632	100.0
320.11002	2.2
335.02762	0.6
337.11884	0.7
342.12244	7.3
343.10611	52.1
344.11078	1.0
353.03537	6.1
361.11688	61.0
362.12057	0.8
371.04739	8.5
384.13306	4.0
387.09622	67.4
388.09869	1.3
405.10669	1.7
428.12274	1.6
441.07355	1.1
467.05423	0.9
485.06311	4.6
497.07425	0.6
517.21460	1.0
597.16992	1.0
639.17798	3.3
727.15680	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	726.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03944	8.0
55.01868	12.0
55.05515	4.6
57.03431	7.0
60.04509	1.0
61.02930	7.3
64.50806	0.7
67.05501	3.1
68.99791	4.2
69.03426	38.7
69.07056	4.2
69.40467	8.1
70.06583	1.2
71.04989	8.8
72.08163	1.0
73.02916	7.7
79.05488	5.8
81.03416	45.5
81.07048	14.6
83.01352	1.5
83.04977	3.9
83.08616	5.8
85.02902	100.0
85.06538	97.9
86.03246	1.2
86.06850	1.4
86.09700	1.1
87.00826	38.8
87.04484	1.1
89.89246	0.8
91.03939	2.6
91.05481	5.0
93.06468	1.3
93.07045	18.8
95.04966	3.0
95.08606	4.5
97.02888	44.0
97.06530	23.1
97.10159	0.8
98.06032	0.8
99.00815	0.8
99.03833	1.2
99.04449	20.5
99.08093	1.1
99.89856	1.0
100.11230	2.4
101.02345	1.6
103.03953	2.4
105.01861	38.6
105.07019	7.9
107.04957	2.2
107.08591	11.6
108.04466	5.7
109.02875	64.3
109.06479	2.3
109.10126	2.6
111.04422	3.1
111.08068	3.2
115.03910	2.5
117.01848	4.2
119.08568	11.2
121.06534	0.9
121.10136	41.5
123.04424	2.4
123.08125	1.3
123.11732	1.5
125.02368	1.7
125.09589	1.8
126.05511	3.7
127.03911	89.8
128.10701	1.5
129.01823	5.9
129.06985	0.9
131.08582	3.9
133.10097	3.4
134.12025	0.9
135.04346	0.8
135.08015	1.2
135.11633	1.8
137.05962	1.6
137.13235	0.9
141.01790	1.0
143.08543	1.6
145.04953	26.6
145.06158	1.5
145.10114	2.2
147.02863	3.6
147.08000	1.0
147.11661	2.8
149.05934	1.3
149.09608	1.4
149.13249	22.8
151.03917	2.8
151.07539	1.0
151.11234	1.4
153.01788	1.1
157.10109	1.5
159.02890	19.9
159.11696	10.5
165.05551	1.0
165.12781	2.6
167.14317	7.2
169.04942	3.6
169.10149	0.9
171.02922	2.3
171.11623	1.6
175.11165	1.1
177.03992	1.0
177.12747	25.1
179.14404	1.4
181.04860	0.9
181.60049	0.8
182.15390	2.3
183.15619	0.8
185.09583	1.0
187.06052	2.3
187.11156	1.5
189.02374	1.0
189.03929	7.1
189.05409	1.1
189.12692	2.4
191.14287	0.8
193.05020	2.3
193.12222	1.6
195.13799	72.2
196.13988	1.4
197.83185	0.8
199.11137	1.1
201.12767	1.0
205.12099	0.9
207.13773	2.8
210.14957	1.9
211.07567	1.3
213.03937	20.6
213.14841	79.3
214.15150	1.5
217.05025	1.0
217.12250	1.1
219.13928	1.4
223.13214	1.1
225.14926	2.0
230.06509	1.5
231.04991	27.0
231.13789	1.1
235.05991	2.3
237.14729	1.5
243.13786	1.0
248.07646	3.1
249.06017	6.1
249.14879	1.0
253.07130	1.4
255.05025	1.4
261.14990	1.1
266.08743	1.7
267.13577	1.5
273.03424	1.3
273.06073	17.8
279.15866	0.9
285.14877	3.2
291.07016	1.0
303.04980	0.9
303.15869	6.0
315.06970	2.3
321.05911	1.1
321.17059	2.1
339.07166	5.1
341.79797	1.1
357.08093	3.1
363.17963	1.4
381.19046	1.7
389.15997	2.1
399.10754	2.3
400.11011	4.3
404.80167	1.0
407.16953	11.8
425.18167	8.9
431.13284	2.3
432.13742	4.2
443.08194	3.5
443.19092	1.7
461.09164	2.9
479.10315	1.2
528.64172	0.9
564.17548	1.7
725.51776	1.9
726.51703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87641	0.5
56.96576	0.8
69.03429	0.8
70.06599	1.4
71.59753	0.4
72.08146	0.7
83.01113	0.5
85.02910	1.0
86.09717	0.5
97.02932	0.5
97.66256	0.5
98.20754	1.4
101.22488	0.5
113.02156	0.8
117.84764	0.5
122.89699	0.4
127.03839	0.6
131.04999	0.7
131.96336	0.5
137.06061	0.7
138.09009	0.4
159.04152	2.3
175.03720	1.1
185.04257	1.4
185.05849	0.6
188.05940	0.4
197.01184	0.9
199.11101	0.5
201.03677	1.2
203.05255	0.7
204.07599	1.3
205.04765	1.1
240.14079	0.5
250.08246	0.8
337.12601	0.9
351.10489	3.4
365.12015	7.5
366.12772	2.8
379.13800	2.5
381.11786	0.9
401.15973	0.6
404.11438	0.7
419.14252	0.9
423.12854	0.7
477.17560	0.9
548.67206	0.5
563.21057	15.9
679.93707	0.5
681.23834	0.9
725.25995	100.0
726.26178	2.2
746.70215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10637	1.0
56.96290	1.2
56.96566	17.5
63.05509	0.9
71.59865	1.1
71.60236	1.4
72.96027	1.6
75.35493	1.0
76.04644	0.9
79.05484	1.5
81.03387	1.0
81.07038	1.0
91.05470	1.4
97.06526	1.5
105.06987	1.1
119.08545	1.7
119.20311	1.0
123.11708	1.1
134.67831	0.9
141.02318	1.1
147.11623	1.1
159.03307	2.2
185.04875	1.0
189.04248	1.2
203.05891	1.7
217.07347	1.0
223.10101	4.5
229.07532	1.3
241.11090	47.4
259.12167	78.9
264.12668	3.8
267.09033	7.8
277.13351	1.1
282.13815	4.4
285.10089	35.6
303.11145	28.7
308.11786	2.8
309.12137	1.2
326.12744	3.1
495.22632	100.0
700.61536	1.3
723.41846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69091	1.1
55.01871	2.8
55.05507	12.4
57.03437	11.2
61.02916	1.8
65.03921	1.3
67.05499	18.6
69.03427	4.3
69.07067	6.9
70.12703	2.1
70.13111	4.7
71.04987	4.0
79.05488	19.9
81.03414	86.3
81.07054	23.4
82.03762	1.1
83.04982	9.3
83.08614	20.6
85.02894	15.8
85.06528	2.0
86.09723	1.3
91.05477	24.1
93.07040	16.7
95.04962	32.4
95.08604	11.3
97.02902	3.8
97.06528	4.8
97.10165	7.2
99.08102	1.8
105.07027	20.9
107.04947	9.6
107.08594	9.8
109.06532	5.8
109.10164	4.7
111.04435	2.9
111.08072	8.7
115.05434	1.7
117.07009	3.1
119.08575	15.7
120.98945	1.3
121.06518	4.8
121.10126	8.0
123.04416	1.3
123.08080	3.3
123.11600	1.3
125.09668	4.5
127.03864	1.8
127.07558	1.3
129.06999	11.5
131.04926	1.7
131.08574	11.8
133.06454	5.6
133.10117	7.4
135.08028	2.5
137.09630	2.7
141.42334	1.4
142.07791	1.9
145.06502	4.8
145.10133	3.1
147.08044	4.4
147.11690	12.1
149.09616	7.2
155.08481	1.6
157.06461	1.5
157.10132	14.7
161.05986	1.3
161.09627	1.5
163.11205	2.3
165.12796	2.1
169.10052	1.4
170.34706	1.1
171.06624	1.9
171.08067	1.9
175.11182	11.1
183.07858	1.5
187.39397	1.3
189.11252	1.3
193.12225	34.0
195.11771	1.5
211.13258	14.9
215.14330	1.4
229.14211	1.5
230.21820	1.3
233.15425	2.3
233.96953	1.5
249.15010	1.8
255.13815	2.9
267.15903	100.0
273.14825	4.0
285.16940	18.8
313.03214	1.6
339.23322	2.2
341.21198	1.8
349.21527	3.3
365.23254	3.3
367.22717	8.2
385.23660	10.0
403.24615	3.4
433.25815	13.6
439.86469	1.4
441.26462	6.2
459.27359	66.8
477.28491	42.2
503.04523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01870	4.0
55.05508	10.2
57.03422	1.1
65.03946	3.0
67.05503	41.4
68.76283	0.9
69.03435	6.4
69.07070	11.7
70.06580	1.9
71.04985	3.2
74.75881	0.9
79.05492	31.3
81.03414	10.8
81.07053	48.7
83.01350	1.6
83.04973	4.5
83.08621	7.2
85.02899	5.2
85.06561	1.6
85.10207	0.9
86.09710	1.5
87.00832	1.7
91.05480	39.4
91.81481	1.1
93.07044	35.7
95.01314	1.2
95.04964	20.8
95.08603	34.7
97.02898	6.3
97.03480	1.1
97.06520	4.6
97.10163	3.6
103.05466	1.6
104.12537	1.0
104.16145	0.9
104.24001	0.9
105.03364	1.3
105.07032	26.0
107.04959	15.1
107.08585	16.1
109.02873	4.9
109.06497	5.2
109.10147	16.1
111.04433	4.2
111.08064	1.7
111.11722	1.1
115.05431	1.4
117.07015	20.5
119.04917	2.0
119.08577	22.9
121.06502	9.0
121.10134	19.4
121.10997	0.9
123.04427	21.0
123.08078	3.9
123.11723	5.6
125.02357	8.7
125.05987	3.1
125.09653	1.6
127.03917	4.4
128.06242	2.8
129.06979	10.3
131.04939	2.8
131.08566	21.0
133.06468	5.9
133.10124	15.2
135.04420	3.6
135.08047	4.7
135.11693	12.6
137.05980	5.1
137.09631	3.7
137.13286	1.7
139.03909	4.8
141.05502	1.2
141.06976	6.5
142.07751	1.8
143.08568	11.7
145.04962	1.2
145.06506	5.3
145.10120	13.5
147.04355	1.9
147.08034	12.3
147.11684	10.8
149.05981	3.6
149.09607	3.1
149.13274	8.8
151.03883	4.7
151.07567	3.1
153.05486	1.3
153.06969	1.2
155.08553	7.8
157.06458	2.1
157.10107	7.7
159.08037	4.8
159.11679	8.7
161.05910	2.7
161.09608	4.6
161.13249	3.7
163.07559	5.3
163.11253	2.9
163.14809	2.6
165.05466	1.1
165.09096	2.8
165.12740	1.2
166.07793	1.3
167.07120	1.3
167.08582	3.1
169.05025	1.6
169.10129	7.2
171.08025	2.6
171.11693	9.7
173.06035	1.4
173.09639	4.4
173.13286	3.2
175.07556	2.4
175.11180	2.6
175.14836	2.4
177.12761	1.3
179.07065	1.2
179.08501	1.1
179.10655	1.6
181.10173	3.9
183.08040	2.1
183.11665	4.0
185.09680	1.9
185.13254	7.5
187.11151	3.3
187.14828	2.9
189.09161	2.6
189.12680	1.4
189.16342	2.3
191.10667	2.2
191.17929	6.1
195.11678	2.8
197.09480	1.8
197.13271	3.3
199.07529	1.5
199.14857	3.3
201.09096	11.2
201.12796	3.0
201.16515	1.3
203.10623	1.9
203.14214	1.3
203.17993	2.9
207.11700	1.8
209.13336	1.8
211.11110	1.4
211.14771	1.2
213.12746	1.8
227.14272	1.3
227.17952	2.7
229.19537	1.4
237.14729	1.8
249.18549	1.4
265.21701	1.0
273.14883	1.2
273.18579	2.4
275.20087	3.6
291.15894	4.5
299.20065	1.3
301.21713	1.6
313.21484	1.7
317.21140	2.2
319.22375	1.6
327.22989	1.3
329.21167	1.2
331.22388	1.3
333.24173	1.2
341.21082	3.3
343.22797	1.1
349.28656	1.4
359.22061	1.3
361.23752	3.9
363.25366	1.4
367.17819	1.2
367.30084	2.5
371.02649	1.1
375.26917	2.8
377.28348	2.0
379.26538	1.4
393.27866	14.9
395.29538	8.6
397.27261	2.6
403.26242	7.0
411.28934	30.0
412.36395	1.7
413.30585	10.6
415.28494	1.6
421.27429	24.4
431.31680	1.4
439.28470	54.6
439.34702	2.6
440.35953	3.1
457.29489	100.0
458.29962	1.8
475.30554	82.6
476.30847	1.7
676.60907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92867	1.2
70.44596	1.1
71.21371	1.1
71.59859	1.1
71.60316	2.1
72.85874	1.4
84.09654	1.2
85.02923	1.5
93.24539	1.2
106.27263	1.2
108.49308	1.5
111.15351	1.2
124.88042	1.2
151.04124	1.2
172.08693	1.5
175.03735	4.6
219.91916	1.2
242.69234	1.2
252.14920	1.4
316.97821	1.6
334.33688	1.3
337.08878	2.2
399.13992	3.9
561.19531	15.3
602.02258	1.4
723.24701	100.0
724.24841	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11272	0.5
51.31150	0.5
51.70908	0.6
56.73128	0.6
56.96563	5.6
69.03400	0.6
71.59824	1.2
75.04073	0.6
82.98106	0.6
83.64066	0.6
84.96040	2.8
85.02859	0.8
98.97575	19.4
110.97506	2.7
112.89534	1.3
116.97828	0.9
116.98618	16.9
128.98587	10.6
131.00179	0.6
134.99643	8.4
140.98521	1.5
143.00174	4.9
146.99657	13.0
149.01228	0.9
152.98557	0.9
153.00702	0.8
158.99620	11.3
160.99991	0.6
161.01227	11.2
161.02611	1.0
162.99115	1.0
165.00665	2.5
165.03333	0.5
170.99629	12.0
173.01146	0.9
177.00714	16.9
179.02213	2.1
182.99646	6.2
189.00705	20.0
191.02261	0.6
193.00113	0.7
195.01656	1.9
201.00693	41.1
202.89078	1.3
203.02220	1.1
207.01740	3.3
213.00696	3.3
219.01761	37.3
221.05144	0.7
224.02293	0.7
231.01714	4.9
232.90108	0.7
237.02805	18.7
242.03291	1.1
243.01747	15.8
249.02736	0.8
255.03851	1.5
261.02811	74.6
262.03149	0.7
273.02783	5.5
279.03873	48.3
284.04474	0.7
291.03824	14.6
297.04974	1.6
302.05466	2.6
303.03900	1.3
309.04901	2.3
315.03848	0.8
321.04922	28.4
332.89755	0.6
333.05063	3.2
344.85837	0.8
351.05948	9.0
363.05930	1.5
381.07071	21.3
399.08078	24.7
422.09869	0.9
441.09149	100.0
442.09506	1.2
453.09177	1.9
471.10211	1.3
486.12222	0.6
501.10980	1.1
543.11499	1.5
635.88477	0.6
723.22003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01867	4.4
55.05524	8.5
57.03441	7.1
59.04986	1.4
67.05506	11.7
69.03436	2.3
69.07072	3.6
71.04972	1.3
71.59481	2.0
73.02924	1.7
79.05495	14.9
80.46811	1.3
81.03419	36.6
81.07050	13.0
83.01361	1.5
83.04987	5.1
83.08636	11.7
85.02865	1.8
91.05490	14.6
93.07042	13.9
95.04971	14.2
95.08618	5.9
97.02911	3.1
97.06557	3.5
97.10165	5.4
105.07043	10.0
107.04962	6.6
107.08588	9.0
109.06522	3.8
109.10143	3.3
111.04449	2.8
111.08081	4.2
117.07059	3.2
119.08595	7.2
121.06496	2.8
121.10142	6.6
123.08096	3.4
124.32756	1.4
125.09644	3.6
129.07016	4.1
131.08560	4.4
133.06522	2.2
133.10132	3.0
135.11725	3.8
145.06479	2.0
145.10136	5.9
147.08000	2.5
147.11674	2.3
149.09634	3.1
153.12721	1.8
155.08627	2.3
157.10178	5.0
159.11757	1.6
161.05957	2.2
161.96387	1.5
163.11148	9.1
173.09653	2.6
175.11221	3.9
181.12289	2.2
189.11266	2.0
191.10646	2.2
193.12209	8.3
201.12927	1.5
220.81131	1.6
226.41382	1.5
227.12886	2.9
267.15924	24.7
273.14801	2.6
283.15399	18.9
337.21893	2.2
365.21088	4.2
383.22202	18.2
401.23206	6.5
419.24234	3.7
439.24875	2.2
457.25787	28.4
458.26636	1.6
475.26926	100.0
476.27310	3.5
493.27863	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	721.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
63.27864	0.3
63.50330	0.3
67.05482	0.5
69.03423	0.7
70.06583	1.1
71.60117	0.5
71.60484	0.4
81.03400	0.7
81.07036	0.8
84.08124	0.4
85.02904	1.0
86.09697	0.6
93.07047	0.7
95.01963	0.4
95.08615	1.7
97.02897	0.8
105.07043	0.6
107.08558	0.4
109.02883	0.7
113.29897	0.3
117.41463	0.3
119.01920	1.0
119.08566	0.5
123.08115	0.6
127.03917	1.1
130.27101	0.3
133.03537	0.4
133.10129	0.7
137.02977	1.0
145.03494	0.3
149.09618	0.4
167.03117	0.3
169.07068	0.5
171.05061	0.6
173.06635	1.0
185.06625	0.6
195.08585	0.4
196.95380	0.3
207.13846	1.4
209.10217	10.1
211.08138	0.7
213.09889	0.3
227.11279	8.6
241.09274	1.5
245.05086	0.6
249.14645	5.9
250.12881	0.4
251.11122	10.5
252.11450	0.5
269.12369	6.8
271.04254	1.0
293.13708	2.0
311.14645	100.0
312.15131	1.8
323.13342	0.6
329.14432	2.8
352.15787	0.4
353.14578	1.0
413.16559	0.6
437.16345	0.4
443.01517	0.4
455.17877	0.5
473.19919	23.8
497.18436	0.4
499.16678	0.5
515.20868	6.6
525.50824	0.4
541.17767	1.0
559.19934	61.2
560.20270	1.4
635.25500	0.4
677.26270	4.4
721.25214	27.7
722.25549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.66504	0.8
55.01880	2.3
57.03428	2.0
57.95644	0.8
61.02919	2.2
65.03965	1.3
69.03430	10.8
69.87071	5.9
71.04967	1.0
71.31573	0.9
72.08150	1.3
73.02943	1.5
79.05490	4.2
81.03425	6.3
82.63499	1.0
85.02420	1.5
85.02903	23.2
86.09708	1.0
87.04453	1.3
91.05470	15.1
93.07053	2.1
94.04158	1.6
95.04960	3.6
97.02889	8.5
99.04452	3.7
103.05467	14.3
105.07027	16.9
107.04951	28.5
109.02870	2.9
109.06518	2.4
115.05431	4.8
116.06209	1.3
117.07001	2.0
119.04948	13.6
119.08565	1.3
121.06528	9.0
122.03631	4.2
123.08089	1.2
127.03901	9.2
128.06268	1.2
129.07007	7.3
131.04926	23.6
131.08591	1.7
133.02867	10.2
133.06480	18.9
135.04399	3.0
135.08037	8.4
137.05974	100.0
141.07018	1.7
143.05980	0.9
145.04944	5.7
145.06473	4.3
146.07286	1.8
147.04420	14.0
147.07996	1.7
148.05220	3.6
148.23820	1.1
149.05968	21.1
149.07094	1.6
149.09525	1.0
150.06779	4.8
151.03877	1.9
151.07544	41.9
157.06430	4.6
159.04430	1.3
159.08054	1.1
160.05183	1.8
161.05975	87.1
161.09596	19.9
162.06737	5.4
163.07539	76.9
165.05594	1.3
165.09114	9.3
167.07037	4.9
167.08549	2.7
169.06429	1.6
170.86287	1.0
171.08051	1.2
173.05986	1.7
174.06795	3.4
175.07533	14.2
177.05482	6.6
177.09091	7.0
179.07021	17.8
179.08514	1.7
181.06934	1.4
181.08600	13.7
181.53809	1.1
183.10173	3.6
187.07550	2.0
188.04848	1.1
189.09105	55.9
191.07036	9.8
193.06601	1.5
193.08600	2.9
195.08054	4.1
195.10182	2.7
197.06061	2.1
199.07521	1.6
201.09125	2.3
203.06985	7.2
203.08675	1.1
203.10487	2.1
205.08620	2.6
207.10165	93.1
213.09019	1.0
215.06926	5.2
217.08600	2.0
219.10132	8.1
221.05879	2.4
221.09729	2.0
221.11775	2.5
223.07616	2.6
224.08350	1.6
225.05481	1.1
225.09050	2.5
225.11253	3.9
227.10612	6.4
229.08594	1.4
231.10226	1.8
231.82108	1.0
233.08092	2.7
235.09676	1.1
237.09058	1.3
239.10666	1.2
241.08510	1.3
245.08154	2.7
247.09727	1.9
248.33942	1.0
249.08997	1.2
249.11229	3.3
253.08626	4.1
253.12177	3.7
255.10147	8.4
257.07925	1.0
263.09048	1.8
265.08505	2.0
266.08005	1.9
267.10159	1.8
273.11179	5.8
275.09052	4.3
281.11694	2.5
284.10382	1.9
285.11179	7.3
287.12738	11.3
290.09100	2.0
291.12271	11.5
293.10397	3.7
297.11160	3.8
299.12720	3.5
305.10205	1.6
309.13309	3.6
311.12418	6.2
313.14334	16.3
323.11157	3.2
325.14297	1.1
331.15387	60.9
341.13120	1.6
343.15359	12.5
371.11685	3.6
371.62000	1.6
469.18558	1.2
721.23108	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	720.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58967	0.8
53.03938	1.8
55.01876	2.1
57.03422	2.6
61.02931	1.7
65.03936	1.4
66.70726	0.9
69.03420	9.6
70.06612	2.1
71.04984	1.0
71.59454	1.2
72.08138	3.2
73.02906	1.6
79.05480	3.5
81.03417	5.5
84.08135	1.0
85.02415	1.6
85.02900	19.0
86.09698	1.0
91.05481	14.2
93.07023	1.6
94.04202	1.5
95.04967	3.6
97.02902	8.2
99.04464	1.7
103.03934	1.3
103.05462	18.5
105.07021	12.5
107.04953	26.7
109.02884	3.5
109.06483	2.0
111.04417	1.4
115.03918	1.4
115.05430	3.7
117.07000	2.5
119.04941	14.7
121.06490	8.9
122.03631	4.4
127.03913	8.6
128.06209	1.3
129.07025	4.7
129.10234	1.1
130.04192	1.1
131.04927	24.7
131.08575	1.9
133.02846	7.6
133.06494	14.3
135.04385	2.7
135.08009	9.0
136.05191	1.3
137.05974	100.0
143.11809	1.7
145.04993	5.3
145.06454	3.0
146.07231	1.6
147.04405	13.5
147.08020	2.8
148.05193	1.9
149.05980	20.6
150.06757	2.6
151.03900	4.2
151.07542	41.0
157.06487	5.3
159.08060	1.6
161.05975	76.2
161.09604	17.4
162.06747	5.9
163.07539	74.6
165.05518	2.2
165.06950	2.1
165.09117	4.4
167.07036	4.5
167.08412	1.6
171.11386	1.8
174.06812	3.3
175.07550	13.8
175.43100	1.0
177.05489	5.1
177.09128	12.4
179.05469	1.0
179.07039	18.2
179.10645	2.8
181.04979	2.3
181.06425	1.2
181.06921	1.3
181.08586	12.6
183.10172	2.6
186.06926	0.9
187.07440	2.2
189.09111	52.2
191.06956	9.7
193.06493	2.2
193.08478	2.1
195.08032	4.0
195.09938	1.7
197.05962	1.7
201.09125	2.0
203.07036	5.0
203.10637	1.1
207.10161	84.2
209.06053	1.3
209.09680	1.4
213.09125	1.4
213.99135	1.0
215.07028	2.4
217.08583	1.1
219.10213	9.4
221.05942	2.5
221.07909	1.5
221.09796	1.8
221.11749	3.8
222.06798	1.6
223.07487	3.1
225.09181	1.9
225.11208	2.7
227.10651	6.3
229.08601	2.4
231.10233	1.2
233.08041	2.0
237.00755	1.0
237.09003	1.8
241.08527	1.4
245.08165	1.9
247.09570	1.3
249.11287	1.6
250.09897	1.0
251.06860	1.2
253.08557	2.9
253.12219	3.3
255.10110	8.8
263.09311	1.4
265.08612	1.4
267.10187	2.2
269.08121	1.8
273.11188	3.5
275.09113	2.9
281.11526	2.3
285.11157	7.4
287.12778	15.6
291.12241	6.5
293.10217	3.7
297.11215	5.4
299.12622	4.8
305.10172	1.6
309.13275	2.8
311.12930	12.7
313.14282	18.0
323.11182	2.1
325.14273	3.3
331.15396	74.3
341.12204	2.2
343.15350	13.9
361.16449	1.3
447.81723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.0
56.32845	1.2
56.96564	45.4
60.13425	1.3
67.05482	1.5
69.03428	3.4
70.06579	1.5
71.59775	1.3
71.95258	1.4
71.97641	1.1
74.97643	1.5
79.05493	1.8
79.93014	1.2
81.03391	1.5
84.96033	20.5
85.02942	2.0
86.09707	2.5
89.16924	1.1
91.05477	2.3
95.04993	1.4
97.02912	2.5
98.97576	21.0
102.97063	3.1
105.07042	5.8
107.04955	28.1
115.97855	3.1
116.98612	22.7
126.60986	1.6
127.03924	3.0
128.06238	8.8
128.98589	5.7
129.06989	6.8
131.04877	2.0
131.08597	4.3
133.98849	1.7
134.99658	16.6
137.05977	2.2
140.80502	1.4
141.07014	1.6
142.07782	10.0
143.00159	4.2
143.08562	41.9
144.09317	1.9
146.99611	6.8
153.00742	2.5
155.08557	3.6
156.09344	1.4
157.10123	18.1
158.01260	1.9
158.99684	3.6
159.11662	6.0
161.01195	9.1
162.99324	2.8
163.00708	3.7
165.00700	1.5
168.09364	3.8
170.10941	2.7
170.99666	4.7
172.94289	3.6
173.01213	2.9
177.00711	6.1
179.02289	1.6
181.01717	16.7
183.03325	2.5
183.11700	6.8
185.13245	39.1
187.02745	1.8
189.00728	5.2
190.95351	11.7
193.01788	1.7
199.02814	8.1
201.00722	4.4
201.04387	3.3
208.96449	1.3
211.02788	6.9
211.11221	1.8
214.95279	10.2
219.01730	9.5
223.02769	6.7
227.02248	11.5
232.96298	6.6
237.02736	7.8
241.03920	7.2
244.96483	4.0
245.03326	28.4
245.08560	2.3
251.02226	9.2
256.96408	3.2
257.08609	3.6
259.09991	3.0
263.09473	6.6
265.03781	2.5
269.03314	16.3
273.08020	1.8
274.97467	15.9
275.06595	1.7
275.09427	8.1
277.11237	3.2
281.10464	1.5
283.04944	3.1
285.08044	4.8
287.04471	2.4
289.03833	1.5
291.09177	3.2
292.98431	1.9
293.03372	5.1
293.10620	4.6
295.04758	3.0
298.97385	6.4
301.07718	1.5
303.09055	9.8
305.03256	1.9
306.97931	6.3
309.10086	3.7
311.04279	3.4
316.98474	10.4
321.10046	6.9
327.08813	1.6
334.99518	7.0
335.04327	2.5
339.11176	4.1
348.99170	2.9
353.05444	9.9
383.04666	4.8
399.10617	1.6
401.05978	1.6
409.13126	1.5
415.00165	1.7
427.14471	2.5
433.01105	13.9
451.02179	100.0
452.02115	1.7
455.13687	2.8
469.03329	17.0
473.14719	3.7
474.03394	1.7
492.04828	4.7
522.02124	1.3
581.16534	1.9
599.17963	12.5
617.18958	9.0
635.14514	2.8
651.14197	30.6
679.13629	29.4
697.14587	15.5
714.11768	1.7
720.16089	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
65.03925	1.3
69.03415	1.4
71.59882	1.0
72.66657	0.8
78.69103	0.8
79.05474	0.9
81.07011	1.1
85.02906	3.9
91.05468	1.2
94.04182	2.3
97.02880	1.2
103.05463	3.4
107.04903	0.9
109.06520	1.6
111.04424	3.2
114.22480	0.8
115.05455	2.5
117.07039	1.3
122.03639	3.9
125.05978	2.4
126.30875	0.7
127.03939	0.9
128.06210	2.5
129.07007	13.6
131.04919	10.0
137.05974	100.0
138.06264	1.1
143.04913	2.8
144.05688	1.3
145.06493	1.6
147.08089	1.0
149.05992	1.1
151.03986	0.9
151.07521	1.1
153.05460	7.4
157.06483	15.6
158.07254	1.2
159.08066	0.9
160.05157	5.7
161.05986	2.1
163.06256	1.1
163.07536	6.8
172.05179	4.7
174.06767	6.4
175.07542	38.2
185.06003	1.2
187.07539	44.7
188.08075	0.9
189.09106	27.1
191.07016	1.0
191.08559	1.7
199.07579	1.8
203.08565	1.3
205.06697	1.2
205.08595	6.3
207.10213	2.0
211.07530	2.1
217.08601	11.5
219.08041	3.1
219.10158	2.5
231.08067	3.8
233.09720	1.0
233.15912	0.8
235.09647	1.3
239.07117	2.1
247.07623	3.8
248.08318	3.2
251.10670	2.7
255.06442	2.2
259.07504	2.1
260.08456	1.5
261.09045	1.4
263.10696	4.1
264.07782	1.1
265.08649	1.4
270.08896	5.2
271.09628	3.4
276.07819	1.7
277.08591	1.1
279.10126	8.2
280.11035	0.9
281.08185	1.1
283.09625	2.3
291.10168	12.1
292.10886	0.8
293.08237	1.4
296.10413	2.8
308.10455	1.1
309.11206	0.9
311.12769	19.8
323.12784	21.0
329.13852	4.4
341.13828	42.4
359.14883	2.3
387.55209	0.9
443.69336	0.7
588.03430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01881	1.2
57.03440	1.5
67.05502	1.2
69.03427	4.4
69.07042	1.3
70.06606	9.6
71.13247	1.6
71.13592	1.5
72.08128	1.8
79.05509	3.2
80.05048	1.7
81.03416	2.8
81.07098	1.1
82.06584	2.3
84.04526	2.8
84.08140	4.0
85.02907	9.4
86.06092	1.4
86.09706	5.2
91.05478	3.1
93.05783	1.1
93.07056	7.2
94.06572	9.1
95.04977	1.6
95.07349	6.9
95.08626	1.9
96.08131	22.5
96.26408	1.0
97.02896	2.7
97.06528	3.6
102.05568	1.3
103.05493	1.4
106.06564	1.3
107.04981	3.5
108.08117	15.8
109.02879	2.6
110.09682	35.4
112.07462	1.0
112.39960	1.1
120.04480	1.4
120.08109	28.5
120.08931	2.1
121.06520	1.9
122.06009	3.1
122.09671	2.5
124.07590	4.7
127.03882	2.7
129.10229	1.4
136.07582	14.8
137.05994	3.0
138.05518	2.5
138.09145	45.0
144.04469	2.9
146.06053	3.3
147.04390	1.6
148.07587	9.7
150.09158	3.9
152.07088	3.4
162.05615	1.3
166.04979	2.1
166.08644	89.6
172.03976	11.1
174.05542	1.2
190.04996	9.2
198.07689	1.6
199.08615	1.1
200.60693	1.2
204.06543	15.1
205.04758	2.1
206.08189	1.7
211.08734	1.9
222.07832	1.2
223.08710	3.6
224.09422	1.9
225.10263	4.5
227.08247	2.4
228.92905	1.1
237.10268	14.9
239.08124	6.1
239.11819	3.4
241.09773	4.0
249.10185	1.4
251.08173	7.3
252.08823	2.0
253.09787	13.8
253.12268	1.8
255.11325	4.7
265.09714	27.7
265.12286	2.1
266.07727	1.3
266.10422	2.8
267.07935	6.1
267.11118	7.3
269.09244	3.0
279.07697	7.0
279.11249	1.5
281.09244	17.1
283.10797	14.7
287.10330	4.8
293.09210	23.0
295.10791	17.3
297.12326	2.0
299.10336	8.4
301.12048	1.6
309.08798	6.5
311.10251	17.4
313.11816	3.2
315.13409	1.2
321.08728	16.3
325.11948	7.9
327.09833	21.3
327.13419	2.7
331.12921	1.4
339.05872	2.2
339.09772	32.0
339.13678	1.7
341.11420	7.6
343.12839	2.5
344.13483	1.2
353.01929	1.1
353.11374	12.3
357.14563	2.4
358.15704	1.3
359.12369	44.2
359.16724	2.4
360.36826	1.2
371.12381	24.4
388.16571	3.8
400.16959	1.7
418.17581	7.2
420.14532	1.1
436.18887	3.4
446.17090	8.0
448.18573	4.6
464.18225	20.7
474.16403	5.1
480.21359	1.6
487.16946	4.4
492.17709	100.0
493.17630	2.7
506.19357	15.8
510.18765	2.1
524.20349	86.2
525.20166	2.2
538.21637	1.9
543.76971	1.2
571.70093	1.2
654.22668	3.3
700.25873	1.7
718.25122	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50562	0.9
56.28276	0.8
56.96581	1.0
58.10998	0.9
58.15963	0.9
67.05515	1.3
79.05482	1.6
81.07048	2.4
91.05492	2.1
93.07061	2.0
95.08668	1.1
102.59268	1.0
105.07090	1.1
109.73686	1.1
115.08134	1.0
116.98641	1.4
139.70285	0.9
149.01297	1.1
157.76524	1.0
170.99666	1.5
177.00688	1.2
194.93463	2.4
221.71024	1.0
266.39474	1.0
279.04224	1.2
291.04095	0.9
293.05438	1.8
311.06427	1.3
320.96753	2.1
321.04947	2.8
337.20627	1.1
476.37064	1.1
483.61899	1.1
620.13965	0.9
656.48303	1.1
657.23157	4.1
717.34515	100.0
717.45648	15.7
718.35187	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	716.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	2.8
55.05512	3.8
56.96548	2.1
57.03431	2.3
60.02961	1.1
61.02925	1.7
67.05508	6.7
69.03427	7.9
69.07069	5.1
69.61800	1.1
70.06594	4.2
71.05002	3.6
71.19684	3.3
72.08170	1.6
72.61330	1.4
73.02933	1.4
79.05489	6.4
81.03408	6.9
81.07053	15.0
83.04976	5.9
83.08619	3.2
85.02904	19.9
85.06551	9.1
86.09702	2.2
87.00829	5.1
91.03986	1.6
91.05498	3.9
91.67210	1.2
93.07051	16.7
95.04974	6.3
95.08602	23.2
97.02876	8.8
97.06548	12.0
98.97603	1.6
99.04469	12.3
105.01876	5.1
105.07026	12.5
106.52894	1.1
107.04985	2.8
107.08598	11.4
107.77857	1.1
109.02866	7.1
109.06505	9.9
109.10159	1.8
111.08069	7.5
113.06004	1.9
116.98650	1.3
119.08589	7.0
121.06502	30.4
121.07366	1.7
121.10152	4.5
123.08052	4.2
123.11677	2.3
125.06039	7.0
127.03918	11.6
127.07566	5.1
131.08516	1.8
133.10133	6.6
135.04468	2.2
135.08069	5.6
137.05927	2.2
139.07533	9.8
141.05484	1.2
143.07024	8.4
143.08553	2.6
145.04967	5.0
145.10118	2.7
147.08057	2.2
147.11668	22.5
149.01207	1.5
149.09607	3.5
149.13310	2.1
151.07533	1.5
151.11166	2.0
157.08612	6.6
157.10124	5.7
159.02895	1.6
159.06517	6.0
161.05942	1.3
161.13280	5.7
163.11154	1.9
165.12738	6.0
169.12221	5.9
171.11617	6.3
175.11200	13.2
177.00725	1.3
177.12859	1.5
181.10176	1.7
184.08948	1.5
185.04950	1.5
189.12738	12.6
193.12241	13.7
195.13809	5.3
199.11169	14.9
203.05832	1.3
207.13757	15.1
211.13301	13.2
211.24232	1.3
213.03992	1.6
213.14786	6.7
217.12250	39.1
219.01744	1.6
229.14355	7.8
231.04982	1.7
235.13278	57.1
237.02815	3.4
253.14349	100.0
254.14737	1.8
271.15378	30.1
289.16449	37.1
329.09027	4.5
333.12079	2.0
353.08826	1.3
371.10025	9.0
396.60919	1.4
625.92078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50383	0.2
53.03949	0.2
55.01872	1.6
61.02928	0.2
62.72475	0.2
65.03926	0.4
66.04702	0.3
69.03415	0.4
71.60218	0.2
79.05484	0.3
81.03417	4.5
81.07051	0.3
84.08170	0.2
85.02910	1.2
86.09689	0.2
91.05460	0.6
94.04163	1.3
97.02876	0.4
103.05445	0.7
109.02871	0.3
109.06509	0.5
111.04436	0.5
115.05444	1.2
117.07017	2.2
122.02869	0.1
122.03648	3.6
125.05981	0.6
127.03896	0.3
129.06981	0.3
131.04938	2.9
133.03947	0.2
137.05974	100.0
138.06311	0.5
143.04913	1.2
144.05696	0.3
145.05014	0.4
145.06479	2.4
146.03606	0.5
149.05965	0.4
151.03928	1.7
153.05446	2.7
159.08047	0.2
160.05205	1.5
161.06000	1.0
163.07503	1.9
165.05476	9.6
171.04460	0.3
172.05162	0.3
173.06000	0.5
174.06760	0.2
175.07556	5.8
175.83296	0.2
177.05444	1.1
177.09117	0.9
187.07529	3.5
189.07053	0.4
189.09053	0.4
190.06238	0.3
191.08670	0.2
203.07040	4.7
205.08595	15.2
211.07536	0.7
213.05449	0.2
215.07031	1.1
217.06538	1.3
218.07318	0.4
219.08083	0.8
233.08058	1.6
234.06715	1.2
239.07037	0.3
240.07848	0.4
245.06137	0.2
246.06555	0.2
247.07567	0.6
248.08432	0.3
249.09103	2.6
251.10777	0.5
256.07269	0.2
261.09155	0.6
262.06268	1.2
264.07755	0.3
271.09625	3.6
275.07010	0.3
276.07980	0.3
277.08578	6.8
278.09256	0.4
279.10086	1.2
283.09531	0.4
289.08676	0.5
290.09293	0.3
291.07108	0.2
291.10101	0.9
296.10321	0.2
306.08957	0.5
307.09546	0.7
309.11203	12.5
311.12741	2.5
321.11182	4.8
327.12491	0.3
339.12262	8.9
357.13327	2.6
371.48828	0.2
379.72955	0.2
403.36160	0.2
501.17389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29317	0.5
60.32910	0.6
65.82690	0.5
67.05499	0.8
70.06570	0.8
70.50738	0.8
70.51092	2.1
81.07040	0.8
91.05441	0.6
107.08575	0.7
121.06503	0.6
141.05193	0.7
166.75894	0.6
171.11670	0.5
173.02988	1.1
185.04231	2.1
201.03712	1.8
202.01610	0.5
203.05280	1.9
241.22093	0.5
249.15610	0.6
257.06393	1.1
259.07904	1.8
315.05435	0.6
317.08414	0.9
317.19653	1.2
319.10062	1.1
331.09973	1.6
335.20883	1.0
347.09497	3.1
363.08945	1.5
365.10452	3.6
391.24542	1.2
415.19553	0.9
421.13300	2.7
455.22537	0.7
483.22028	2.1
493.15363	4.1
507.16852	0.7
521.18445	1.2
535.20123	0.7
553.29755	11.9
563.23114	0.9
577.24603	1.2
645.27136	1.0
715.35022	100.0
716.35303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	0.5
79.05488	0.5
81.07040	1.2
82.01723	0.3
83.01106	0.8
91.05518	0.6
93.07063	0.6
95.01101	0.4
95.01955	0.4
95.08586	1.0
97.06593	0.4
103.14103	0.4
105.07013	0.5
107.08557	0.4
119.08573	0.6
125.02148	0.5
133.03473	0.8
133.10124	0.5
145.10136	0.4
157.04749	0.6
158.99666	0.4
161.02942	0.6
167.10648	0.4
173.02945	1.1
181.12129	0.4
185.04237	2.2
201.03716	1.4
203.05370	2.4
245.05122	0.7
257.06473	0.8
259.07895	1.7
299.18542	0.5
305.07358	0.6
317.08401	0.8
317.19751	1.6
319.10120	1.1
331.09995	2.4
335.20673	0.9
345.11603	0.6
347.09418	3.5
363.09079	1.4
365.10541	3.6
373.14667	0.8
391.24814	0.6
401.18192	0.6
415.19492	1.0
421.13174	2.8
431.31567	0.5
437.12540	0.9
455.22357	0.6
483.21783	2.0
493.15341	2.7
507.17065	1.0
521.18317	1.1
535.20319	0.9
535.28143	1.2
553.02747	0.5
553.29773	11.7
577.24664	2.3
611.30255	0.5
617.27765	0.7
645.27234	1.3
648.63104	0.4
715.35046	100.0
716.34857	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41654	0.3
56.05027	0.4
56.96548	0.4
63.40161	0.3
64.45384	0.3
64.63338	0.3
69.03423	1.2
70.06588	2.8
71.04994	0.5
72.08147	0.7
80.19989	0.3
81.03399	0.5
84.08140	0.9
84.66148	0.3
85.02901	1.1
86.09705	1.5
91.05453	0.7
105.07045	0.5
113.54026	0.4
120.08092	0.6
121.02863	0.8
129.07048	0.5
129.10246	0.5
130.06551	0.4
131.04903	0.5
131.08557	0.6
133.75591	0.4
137.05963	1.9
143.08575	0.7
145.10112	1.6
153.06946	0.4
154.07793	0.6
155.08582	0.8
158.06038	0.4
158.07240	0.8
159.08043	1.5
159.11685	0.7
161.05960	0.4
169.10132	1.4
171.08043	1.0
171.11729	0.6
172.08827	2.3
173.09650	2.0
175.07631	0.5
182.07268	0.4
186.10396	0.9
187.07510	1.3
187.11192	0.9
191.10632	0.5
197.09601	3.2
199.07578	0.5
199.11147	0.6
200.08374	1.0
201.08965	0.6
205.04810	0.5
213.09039	0.5
214.06212	1.3
214.09802	0.8
215.10684	3.6
225.09137	1.6
228.07854	1.1
243.10173	100.0
244.10558	1.6
260.12851	1.0
261.11224	14.5
287.05481	1.1
341.06909	43.0
342.07156	0.8
455.09354	0.7
593.10748	0.4
648.33722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3298
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
56.96555	1.5
59.04735	1.1
65.29720	1.0
71.60350	1.6
85.02055	1.2
85.23730	1.1
98.97594	2.6
116.98633	2.9
131.00146	2.0
134.99651	2.4
146.99571	1.3
149.01205	5.6
158.99724	1.5
161.01260	1.5
167.02272	1.3
172.85277	1.4
177.00728	1.7
178.76779	1.2
189.00764	3.4
219.01843	2.1
261.03088	1.5
293.05472	4.5
311.06555	1.7
321.04929	5.6
367.17496	1.2
437.09213	1.5
450.55029	1.3
455.10623	2.0
616.47943	1.1
674.07153	1.3
715.32935	100.0
716.33057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1557
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.34564	0.1
53.03930	0.2
55.01872	0.1
57.03427	0.1
61.02927	0.1
67.01855	0.1
68.99789	0.3
69.03426	0.8
70.06601	0.1
71.33604	0.2
73.02892	0.2
81.03412	0.8
85.02908	1.1
87.00816	0.4
93.46482	0.1
95.04970	0.1
97.02901	0.5
99.04430	0.2
105.01875	0.2
105.03410	0.1
105.33704	0.1
109.02877	0.7
123.04429	1.6
127.03900	1.0
129.01805	0.1
133.02858	1.4
145.04953	0.4
151.03908	5.0
153.01825	26.2
159.02850	0.3
163.03906	0.1
171.02899	0.2
191.03482	0.1
205.04887	0.2
213.11375	0.1
220.88277	0.1
233.42865	0.1
261.03741	0.1
285.04016	0.1
301.03424	0.1
302.04074	0.3
303.04984	100.0
304.05273	0.9
313.03442	0.9
327.04794	0.2
345.05786	0.2
349.14566	0.1
465.10324	7.8
507.11206	0.7
533.09357	1.1
551.10321	21.2
552.10541	0.2
627.16016	0.4
633.36847	0.1
683.19916	0.1
713.15338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.2
53.03933	0.4
58.25338	0.2
64.45947	0.2
65.23917	0.2
69.03071	0.4
69.03428	6.1
71.04962	0.4
71.81043	0.2
79.05489	0.8
81.03421	2.0
81.07052	0.4
83.01328	0.3
85.02897	1.1
85.64669	0.2
93.07005	0.3
95.04963	0.6
97.02891	3.2
98.20628	0.3
99.04465	1.0
105.07021	0.7
107.04948	100.0
108.05302	0.4
108.67187	0.2
109.02871	1.5
117.07069	0.3
119.08599	0.5
121.10081	0.3
127.03918	7.5
128.06279	0.2
129.07007	0.4
129.32686	0.2
131.08568	1.3
133.10025	0.2
142.07779	0.8
143.08540	1.0
145.04971	0.9
145.10025	0.3
153.05481	0.8
153.06848	0.3
155.08577	0.6
157.10121	4.3
159.11684	4.4
161.13275	0.2
168.09413	1.2
171.11746	0.5
173.13284	1.0
183.11679	4.5
189.05501	0.3
191.07071	0.9
201.12756	2.5
217.12263	0.8
219.06584	0.7
219.13786	0.9
225.07623	0.2
233.07997	1.3
261.07666	0.5
265.14426	0.4
279.08630	7.8
287.09277	0.5
305.10330	0.3
413.12338	2.5
431.13446	0.9
694.32819	0.3
711.35382	0.6
712.35712	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	711.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01869	1.4
55.05502	1.0
57.03429	1.3
58.04206	0.6
58.97081	0.6
61.02927	0.7
65.03944	1.3
67.01796	0.7
67.05499	1.3
69.03430	15.5
69.07101	0.8
69.97919	3.7
71.01366	1.0
71.04987	1.7
73.02917	1.5
79.05487	2.9
81.02981	1.4
81.03422	19.5
81.07048	1.8
83.04925	0.8
83.08615	1.0
85.02422	0.8
85.02911	10.4
85.06567	0.6
85.33204	0.6
86.09699	0.8
91.05482	64.4
93.07043	1.6
93.96422	0.7
95.04966	3.8
95.08602	1.5
97.02883	10.7
97.06538	0.8
99.04462	4.8
103.03941	1.3
105.07037	1.4
107.04955	100.0
108.05259	0.8
109.02878	12.9
119.04931	1.3
119.08601	0.9
121.06520	1.1
121.10150	0.6
126.01160	0.8
127.03918	35.0
129.07071	0.7
131.04915	3.7
131.08505	0.9
133.06488	0.7
133.10141	0.8
137.05978	4.2
145.04967	4.4
145.10103	0.7
147.04411	0.9
147.11684	0.8
149.05978	4.5
163.03906	0.8
171.08041	0.7
173.06020	2.4
176.11420	0.7
191.07066	0.8
193.12173	0.9
195.06572	1.3
197.06035	1.1
199.07622	0.9
215.07014	3.4
221.08183	1.9
233.08022	1.0
237.07504	1.3
261.07666	2.4
263.09143	7.4
267.15955	1.1
268.19202	0.8
279.08667	10.0
281.10190	1.0
302.04208	1.1
321.09909	1.3
413.12296	1.8
431.13297	1.0
443.62338	0.8
477.28314	1.4
478.29193	0.8
579.14746	1.1
711.32428	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	711.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03420	0.4
65.24223	0.4
69.03429	2.9
69.27796	3.2
69.28224	1.7
70.06583	0.9
71.04990	0.7
72.68288	0.4
73.02918	0.6
81.03429	1.1
85.02904	5.1
91.05470	0.6
94.06573	0.7
94.22218	0.4
95.74831	0.4
97.02897	1.7
98.20762	1.0
98.97565	0.5
100.91695	0.4
109.02840	0.5
120.08188	0.4
122.06075	0.7
127.03922	1.1
133.10130	1.2
137.05988	1.3
138.05489	0.7
140.54742	0.4
146.05975	0.6
153.01825	0.5
167.07037	0.6
168.06601	0.5
176.07095	0.6
185.14041	0.6
187.08562	0.5
197.07158	0.5
197.10715	0.7
198.07863	0.9
199.08669	6.9
201.10324	0.9
206.08397	0.6
211.08635	6.5
211.12206	1.0
212.09291	2.3
213.10202	6.6
214.07396	1.0
214.11040	2.0
223.08710	0.7
223.12230	0.5
224.09337	0.7
225.06657	0.6
225.10205	9.1
226.07391	6.6
226.10880	3.5
227.08171	10.3
227.11674	3.6
228.08786	0.7
239.08212	1.0
239.11810	4.8
240.08942	2.1
240.12512	3.3
241.09697	11.7
241.13487	1.2
242.10486	9.2
251.08215	0.6
251.11818	1.3
253.09698	5.7
254.10509	2.0
255.07559	0.4
255.08438	0.6
255.11287	7.5
256.11969	0.5
257.12833	14.6
267.11273	8.7
268.08508	1.4
268.12039	8.9
269.09229	2.0
269.12601	2.7
270.09851	0.5
271.10934	1.3
273.12335	0.6
280.12250	1.3
281.09332	1.3
282.09851	0.6
283.10901	1.2
284.11624	1.3
285.12317	4.9
286.09644	0.8
286.13150	1.2
287.13919	0.5
295.10724	5.7
296.08304	0.9
296.11511	6.9
297.12411	2.2
298.13162	1.4
299.10281	1.4
300.11197	0.7
301.12006	0.6
313.11786	25.1
314.12555	11.5
323.10406	1.4
324.11090	0.9
341.11340	3.3
342.12085	39.5
343.12451	0.8
355.08286	0.7
355.12714	1.1
356.13586	0.8
359.12436	0.8
373.13925	9.1
374.14444	5.5
383.12521	0.9
387.10989	1.0
399.10788	0.7
401.09644	1.1
411.11893	0.6
415.14832	0.6
417.12140	1.9
429.13071	1.5
433.15991	0.5
443.14917	2.5
455.14587	0.6
457.12326	4.5
471.14075	3.7
473.15247	1.8
475.13339	0.6
489.15039	14.9
499.13336	1.7
517.14526	53.1
518.14813	1.5
531.16168	1.4
549.17133	100.0
550.17487	1.8
579.16968	0.9
643.24011	0.8
661.25507	0.9
675.26495	0.8
693.27325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.6
64.18060	0.4
71.49637	0.8
71.95239	0.7
83.99721	0.4
91.05446	0.6
94.04169	0.5
98.96916	0.9
98.97575	19.9
116.98617	28.0
122.03625	1.9
134.99654	32.9
137.05974	25.5
138.06337	0.6
140.00191	1.7
153.00691	7.5
158.01245	2.7
176.02318	0.7
197.01199	1.6
198.02104	1.0
200.21866	0.4
208.10109	0.7
211.02763	0.7
213.17039	0.5
215.02385	0.7
220.00447	0.9
224.09549	0.9
226.11098	10.1
235.02760	23.2
237.90553	0.4
238.01483	1.9
242.10559	1.2
244.12202	7.7
253.03828	65.2
254.03951	0.6
267.13837	1.0
268.12158	2.0
271.04883	4.2
276.05420	7.1
277.05405	0.5
280.12070	0.9
286.13324	0.8
298.53708	0.4
329.12912	0.8
344.15341	3.2
362.16464	1.9
373.13837	0.4
404.17426	100.0
405.17838	2.0
445.20087	1.6
524.40558	0.5
709.37415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.6
57.03436	17.3
58.44566	3.1
61.02917	12.1
67.05513	33.3
69.03445	7.3
69.07062	11.2
70.00436	17.0
71.05009	4.6
79.05492	30.9
81.03423	5.9
81.07061	35.5
81.82890	3.0
83.08610	8.0
85.02895	11.1
85.06530	3.6
87.46179	3.0
91.03944	7.5
91.05481	20.3
93.07043	43.8
95.04980	7.8
95.08604	27.3
97.02866	5.8
97.10183	5.8
105.07040	27.6
107.08586	35.5
109.10146	10.5
111.08138	3.4
117.07022	9.2
119.08566	26.0
121.10156	22.7
127.03922	5.5
129.07042	4.1
131.08582	11.8
133.10114	22.1
134.17467	3.0
135.11664	16.9
143.08566	3.7
143.57098	3.5
144.44769	3.6
145.04991	4.0
145.10104	11.5
147.11707	16.1
149.13258	12.2
157.10086	5.1
159.11702	12.5
161.13251	10.8
163.06113	4.6
171.11624	5.7
173.13258	4.2
175.14682	3.7
185.13281	6.4
187.14836	6.8
205.15738	4.7
241.19489	8.3
259.20502	22.1
269.17380	4.6
277.21585	24.3
333.24451	4.3
351.25320	100.0
513.30450	7.6
522.76758	3.7
535.30585	3.6
592.66223	3.5
593.68054	3.4
703.86798	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	709.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.6
70.06590	1.4
71.63662	0.5
83.96436	0.5
85.02919	1.2
85.34083	0.4
96.48663	0.4
97.02923	0.7
98.97612	0.9
100.02249	0.5
100.16459	0.5
101.75129	0.5
110.07154	0.6
116.98680	0.6
124.62553	0.4
125.21407	0.6
134.99626	0.5
137.05995	1.8
159.04169	11.2
161.96878	0.5
172.07384	0.5
185.04242	1.2
322.10339	1.8
333.62482	0.5
385.16467	3.1
387.12131	0.6
393.15335	0.7
461.16998	0.8
531.18384	1.4
546.20380	0.7
547.21521	16.9
567.37970	0.6
570.51117	0.6
709.26758	100.0
710.27112	2.2
728.23004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.7
53.95081	4.8
55.01876	9.5
55.05504	42.9
57.03426	13.8
57.07054	6.5
63.83579	3.9
64.88597	4.0
65.03923	5.6
67.05505	92.6
69.03418	17.7
69.07077	27.7
71.04976	9.8
71.60017	6.3
79.05497	83.3
81.03414	96.2
81.07057	100.0
83.04984	37.2
83.08623	27.1
85.02881	16.0
85.06550	7.8
91.05474	71.4
92.16840	4.5
93.07045	81.9
95.04980	36.1
95.08611	59.7
97.02891	24.2
97.06502	8.0
97.10152	11.8
99.04467	8.2
105.07036	60.5
107.04981	10.3
107.08601	41.5
109.02873	10.0
109.06492	7.9
109.10146	33.2
111.04431	20.5
111.08064	14.4
117.07022	13.6
119.08581	45.3
121.06526	6.6
121.10121	46.1
121.78027	5.3
123.04448	4.9
123.08080	4.6
123.11707	11.8
127.03916	10.9
128.06192	5.3
129.05464	11.8
129.06990	18.1
131.04836	4.9
131.08583	30.7
133.10136	32.8
135.04395	9.8
135.07997	5.7
135.11661	21.2
137.09630	6.2
143.08560	5.4
145.06502	6.7
145.10120	18.9
147.04308	4.9
147.08038	7.2
147.11734	29.4
149.09589	18.9
149.13249	7.1
153.12758	5.8
157.06496	8.2
157.10092	19.6
159.11694	15.8
161.13289	9.1
163.03876	29.0
163.11122	10.3
165.12712	8.8
171.11650	6.4
173.02356	5.5
173.06024	5.9
173.13274	12.8
175.07480	4.9
175.11131	12.9
177.12764	5.4
185.13205	5.5
187.03957	8.0
191.10696	9.7
193.12227	45.1
195.13725	5.5
199.11111	5.3
205.10281	4.8
211.13264	59.3
213.05499	9.0
227.12735	10.3
259.20642	9.9
261.22189	13.3
267.13733	14.1
267.16162	8.5
269.09290	5.2
285.16992	12.1
335.25806	42.2
337.14041	5.7
337.27243	6.8
351.23221	5.4
355.15424	15.7
387.25336	6.5
429.19122	19.7
453.33932	5.4
504.49936	5.5
527.37177	15.3
545.38269	43.1
597.35907	6.4
615.36731	11.8
633.37744	10.6
661.41718	5.7
679.41724	12.9
689.41260	39.0
707.42194	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	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	12.6
55.01863	10.0
55.05509	43.1
57.03440	17.1
57.07072	18.4
59.66051	3.1
63.85360	3.2
65.03929	4.0
67.05505	98.0
69.03438	19.0
69.07069	31.5
71.04984	13.1
71.61007	3.2
71.61430	3.6
79.05493	72.3
81.03416	100.0
81.07053	98.3
83.04974	29.6
83.08604	26.1
85.02898	15.0
85.06540	5.9
87.04462	91.4
88.04768	9.3
89.06013	3.4
91.04906	4.2
91.05473	73.3
93.06458	6.0
93.07040	77.9
95.04963	32.8
95.08598	59.9
97.02876	15.6
97.06532	11.2
97.10153	10.2
99.04472	4.7
99.08131	3.3
105.07030	48.9
107.04967	7.7
107.08588	37.4
109.02823	5.0
109.06503	6.2
109.10177	23.4
111.04417	15.0
111.08080	11.2
113.00044	3.2
113.59751	3.9
115.05373	5.4
117.07008	17.6
119.07906	4.1
119.08588	43.4
121.06511	7.0
121.10144	36.6
123.04435	8.7
123.08038	5.9
123.11715	6.4
127.03918	8.2
128.06218	5.2
129.05455	10.8
129.06969	17.6
131.07056	4.2
131.08562	31.0
133.06488	5.6
133.10124	25.9
135.08080	4.3
135.11658	20.0
137.09567	4.7
141.06975	4.1
143.08490	9.8
144.09274	3.6
145.10139	18.7
147.04330	3.7
147.08067	4.6
147.11690	30.0
149.09631	6.7
149.13269	8.6
153.12738	6.0
155.08595	6.5
157.06503	3.9
157.10091	17.6
159.08124	3.4
159.11687	13.2
161.02307	4.1
161.05951	3.4
161.13249	7.7
163.03886	23.9
163.11171	10.1
163.14796	5.3
165.12770	5.1
167.08502	4.0
171.11610	6.0
173.02304	7.8
173.05957	6.3
173.13266	5.6
175.11150	11.6
175.14748	4.9
181.06470	4.2
181.12236	6.8
183.11629	6.8
184.07275	5.7
185.09831	3.7
185.13266	5.3
187.03871	7.1
191.10588	10.4
193.12222	38.7
199.07616	4.6
201.05548	4.5
209.11665	5.1
211.13286	41.2
211.15036	5.8
213.05457	8.2
213.12854	3.4
223.11284	4.5
227.07045	4.3
227.12764	12.8
239.07033	4.0
259.20557	4.8
261.22137	14.6
267.13467	4.7
267.15982	26.2
277.21637	7.8
283.15390	9.3
285.17007	14.3
317.24463	7.4
335.25803	29.1
337.14407	6.8
337.27264	5.9
351.23184	5.2
355.15332	13.9
369.24533	8.5
411.17960	4.2
429.19254	20.9
435.32230	4.6
500.29330	3.8
527.36896	14.2
545.38354	24.5
595.47107	8.3
597.35675	4.2
609.44958	4.9
615.36676	7.4
633.38379	5.6
653.39966	5.3
661.40912	4.1
671.40027	11.9
679.41742	7.5
689.40973	35.9
707.41693	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01877	7.2
55.05509	28.8
57.03437	13.1
57.07067	4.5
60.08150	8.8
62.75967	3.3
67.05502	66.7
69.03421	21.0
69.07059	20.9
69.32433	31.1
71.05001	6.5
71.07384	3.8
79.05491	51.3
81.03415	78.6
81.07056	71.0
83.04978	34.9
83.08624	18.0
85.02908	10.2
86.09693	29.9
87.04452	3.2
87.10023	4.3
89.15039	2.8
91.05474	37.3
93.07038	48.4
95.04961	24.4
95.08607	44.6
97.02900	17.8
97.06530	8.2
97.10167	8.0
98.98470	5.2
99.04458	5.6
105.07027	24.7
107.04952	8.1
107.08591	28.7
109.02884	6.2
109.06493	6.2
109.10146	19.6
111.04430	21.0
111.08082	10.8
115.05440	3.1
117.07018	12.7
119.08585	29.0
121.06532	3.9
121.10141	22.4
123.08044	4.3
123.11736	8.2
124.99979	22.2
125.09628	5.4
127.03919	8.0
129.05478	12.2
129.07008	11.5
131.08543	19.1
133.10138	16.4
135.11699	17.2
137.09622	4.9
142.07834	3.5
143.08578	3.2
145.06480	3.7
145.10129	13.7
147.08046	4.2
147.11676	28.5
149.09633	8.1
149.13242	6.1
153.12744	9.1
155.08553	4.6
157.10136	14.6
159.11694	8.6
161.13278	11.1
163.03902	4.7
163.11189	6.5
165.12695	3.2
169.10205	4.3
171.11757	4.4
173.13290	10.2
175.11235	10.0
181.12230	7.1
184.07330	100.0
184.08975	5.0
185.07681	9.2
191.10645	6.2
193.12231	27.0
211.13260	55.3
211.14977	4.7
213.60155	3.1
215.57704	2.7
227.12759	14.6
229.14235	4.7
243.20993	4.2
259.20587	4.1
261.22113	9.1
267.15997	8.3
267.42795	3.1
283.15375	7.0
285.16953	12.4
299.01776	3.0
311.13000	6.1
317.24841	3.8
321.35703	3.1
335.25812	32.1
337.27289	8.3
355.15021	5.5
359.68610	2.9
369.24329	6.9
385.73688	3.1
429.19931	4.5
443.27631	4.0
527.37152	6.9
545.38171	23.4
595.47449	9.6
609.44781	3.9
633.36292	3.6
653.39905	4.9
679.41956	7.9
681.62183	3.6
689.42023	21.9
707.38452	15.3
707.48236	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.1
53.72784	3.4
55.01862	6.7
55.05510	30.4
57.03417	10.9
57.07068	4.1
64.52701	3.8
67.05502	77.0
69.03426	20.3
69.07058	21.5
70.47939	6.6
70.48335	12.9
71.04977	7.2
79.05490	55.2
81.03416	100.0
81.07055	78.9
83.04974	43.7
83.08626	21.2
85.02884	18.5
87.04476	7.3
91.05473	50.9
93.07050	55.8
95.04966	30.7
95.08603	51.2
97.02869	25.7
97.06522	9.3
97.10212	7.8
99.04436	9.3
99.08150	4.1
105.07016	43.5
107.04936	8.8
107.08570	31.7
109.02841	12.5
109.06519	9.1
109.09464	5.0
109.10133	28.8
111.04423	22.5
111.08044	11.2
117.07014	14.0
119.08586	27.6
121.06487	9.4
121.10124	20.4
123.04407	5.6
123.11681	7.8
125.09647	6.6
127.03907	15.2
129.05466	7.5
129.06978	13.2
131.08568	26.2
133.06410	4.7
133.10123	20.4
135.07977	4.4
135.11661	14.9
137.09550	5.4
137.13243	5.8
139.75616	3.5
142.07768	4.7
143.08496	6.4
145.06473	6.3
145.10132	16.9
147.08047	5.1
147.11685	25.0
149.09639	9.0
149.13269	8.1
153.12732	4.2
155.08485	5.1
157.10132	13.5
159.11678	11.8
161.09610	3.6
161.13190	4.8
163.03807	5.8
163.11162	15.0
165.12762	5.7
171.08020	5.4
171.11674	4.3
172.23045	4.4
173.13235	9.1
175.11159	15.5
181.12164	10.2
183.11684	5.3
184.07179	4.3
191.10651	13.5
193.12215	40.4
197.13374	4.8
209.11592	4.8
209.13425	4.1
211.13292	73.3
227.12805	20.3
229.14432	6.4
259.20605	5.0
261.22141	12.2
267.15884	11.3
275.20032	5.2
283.15387	11.5
285.16995	25.3
335.25763	24.6
337.27405	19.1
351.23380	5.8
355.15488	4.4
369.23984	9.1
394.59311	4.8
429.20163	5.8
527.37134	6.3
545.38428	32.8
653.39270	5.7
679.41425	5.5
689.42188	25.8
707.36255	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	707.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87378	1.9
50.91796	2.3
52.01249	1.9
52.52174	1.9
53.03936	8.0
55.01868	4.6
55.05507	24.1
57.03425	5.6
57.07070	3.6
65.03947	5.0
67.05505	69.2
69.03422	5.4
69.07063	18.9
70.39568	5.4
71.04993	5.1
75.13587	1.6
75.81796	1.6
77.03890	2.4
79.05491	66.0
81.03417	54.0
81.07054	66.8
83.04992	8.9
83.08616	15.2
85.02912	2.8
85.06539	2.6
89.03950	2.9
89.09992	1.9
91.05473	57.9
93.07039	69.1
93.07623	4.2
94.55006	1.9
95.04956	22.8
95.08609	43.7
96.05830	1.6
96.08251	1.7
96.08893	2.5
97.02898	3.7
97.06525	6.2
97.10161	6.3
99.08104	1.9
103.05463	5.4
105.04527	1.8
105.07025	42.5
107.04957	5.9
107.08584	34.0
108.98078	1.7
109.06532	6.6
109.10146	22.3
111.08081	5.9
115.05493	5.0
117.06996	11.5
119.08579	28.5
121.10140	30.3
123.04443	6.1
123.08052	3.1
123.11725	5.0
125.09641	2.1
128.06198	4.0
129.06996	10.2
131.04951	5.6
131.08563	22.5
133.02898	2.1
133.06534	3.9
133.10126	22.3
135.04449	5.3
135.11711	11.2
137.06003	2.7
137.09622	2.9
137.13269	2.2
141.06996	5.2
142.07826	4.0
143.04970	4.0
143.08556	3.8
145.02913	3.5
145.06506	7.4
145.10109	11.8
147.04408	9.1
147.08046	2.7
147.11693	16.6
149.06004	6.4
149.09589	8.8
149.13242	9.4
151.11174	2.6
153.06998	3.4
155.08528	4.5
157.06523	6.7
157.10153	8.3
159.04436	11.4
159.11716	6.6
161.02391	7.4
161.06000	6.8
161.13264	7.1
163.03906	38.6
163.07590	2.2
163.14844	3.0
165.05566	4.8
165.12782	5.4
167.08559	2.3
169.06454	2.9
171.04396	4.1
171.08102	6.7
171.11676	4.5
173.02330	19.8
173.05965	10.5
173.09712	2.3
173.13300	4.9
175.03929	7.4
175.07570	4.4
175.11223	6.4
175.14867	2.5
181.06454	4.2
182.07121	2.1
183.08131	4.9
185.06032	7.2
187.03909	18.1
187.07594	7.3
189.05556	5.2
193.12238	10.5
195.08125	4.6
195.13908	2.3
196.55061	1.7
197.05984	4.9
197.09631	3.1
199.03946	14.2
199.07599	6.7
199.14886	2.9
201.05551	7.9
201.09164	3.1
203.03391	3.0
207.08105	3.6
207.11760	2.5
209.09593	3.9
211.07622	6.1
211.13321	6.6
213.05493	21.0
213.08990	4.5
215.07014	2.1
217.05132	2.4
221.09721	3.3
223.07567	3.3
223.11229	3.4
225.05559	3.1
225.09047	2.6
227.07079	3.6
227.10687	3.2
229.05016	2.2
237.12814	2.8
239.10681	2.8
239.14447	3.3
241.12166	2.1
243.21164	4.2
251.10760	1.9
259.20602	6.5
261.22171	9.4
265.12213	4.6
267.13742	28.0
277.21768	6.0
283.13284	8.3
285.14990	2.9
293.11758	6.6
309.14844	3.3
311.12823	14.5
311.16565	6.7
313.21616	2.5
317.24832	3.7
327.15982	5.4
329.13721	3.8
329.17288	2.1
333.17343	2.2
333.24484	4.2
335.25674	14.5
337.14429	9.6
355.15393	52.8
357.16824	9.1
373.16641	3.4
375.18411	2.6
429.19083	44.9
431.20740	5.7
447.20486	6.2
587.37280	4.4
597.35699	5.3
605.38239	2.3
615.37000	16.1
623.39490	4.6
633.38049	19.0
651.39075	2.8
671.39667	3.8
679.41931	28.8
689.40472	47.8
707.41528	100.0
708.42554	3.0
736.69562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.03944	6.0
55.01875	5.5
55.05507	27.9
57.03431	8.8
57.07059	2.4
58.73054	1.7
65.03936	3.7
67.05504	77.2
69.03423	5.4
69.07075	17.8
70.07467	9.4
71.04993	5.6
71.85550	1.7
73.48729	1.8
79.05489	80.5
81.03415	60.2
81.07054	79.2
83.04977	11.4
83.08614	13.7
85.06561	2.7
89.03922	2.4
91.05480	66.1
93.07039	83.6
95.04963	26.4
95.08604	48.9
95.09225	1.9
95.40698	1.8
96.53989	2.1
97.02894	3.0
97.06536	6.9
97.10175	7.8
100.91698	2.0
103.05486	5.8
105.04581	2.5
105.07024	45.2
107.04984	6.5
107.08589	33.9
109.06519	4.9
109.10150	25.4
110.61278	1.9
111.08120	5.5
115.05476	3.7
117.07028	12.8
119.08578	36.1
121.06528	5.2
121.10136	39.3
123.04411	10.4
123.08068	4.7
123.11763	7.1
125.09612	2.5
128.06271	4.2
129.06996	15.3
131.04926	5.8
131.08548	28.3
131.09363	2.3
133.06480	4.4
133.10123	23.6
135.04471	5.5
135.08087	1.9
135.11691	14.6
137.05946	3.0
141.07018	2.7
142.07805	2.0
143.08560	4.7
145.02840	3.9
145.06499	5.3
145.10107	11.6
147.04457	5.9
147.08054	4.7
147.11694	20.8
149.06013	6.4
149.09682	10.4
149.13310	6.4
151.11226	3.1
153.07034	3.1
155.08533	4.1
157.06517	7.6
157.10135	10.3
159.04407	17.0
159.08060	2.6
159.11761	7.2
161.02332	12.6
161.05997	9.9
161.09669	3.1
161.13298	7.3
163.03902	46.9
163.11186	2.8
165.05525	6.1
165.06950	2.2
165.12775	6.1
169.06560	4.0
171.04495	2.6
171.08047	2.9
171.11710	3.0
173.02335	20.9
173.05936	14.4
173.09718	1.9
173.13324	5.8
175.03976	6.2
175.07620	4.1
175.11244	8.0
177.05423	2.1
181.06560	8.1
181.10196	2.0
183.08130	6.0
185.06017	7.6
185.09558	2.2
185.13481	1.9
187.03946	24.6
187.07635	6.8
187.14857	3.3
189.05463	4.2
193.12180	16.2
195.08121	6.1
195.11900	1.8
197.06006	2.6
197.09616	3.6
199.03857	11.0
199.07668	7.3
201.05420	12.6
201.09056	4.2
205.05048	1.9
207.08255	2.9
209.09688	2.3
211.07596	7.8
211.11365	3.1
211.13339	8.9
213.05463	20.1
213.09195	3.3
215.07002	2.6
219.08197	2.4
221.09782	3.8
223.07564	4.0
223.11267	3.3
225.05629	2.6
225.09184	2.6
227.07108	5.5
227.10675	2.6
233.09734	2.6
237.09181	2.4
237.12743	2.5
241.19693	2.7
243.21252	2.2
247.11328	2.3
249.12848	3.3
251.10760	4.3
253.12244	2.7
259.20688	8.6
261.22128	12.0
265.12256	2.9
267.13736	29.9
269.15631	2.4
277.21689	6.3
279.13800	2.6
283.13339	5.5
285.14908	4.5
293.11862	7.2
293.15143	2.6
309.14862	5.0
311.09772	2.5
311.12888	14.5
311.16492	9.7
313.14539	2.6
317.24747	2.8
327.16013	7.0
329.13821	2.3
333.24182	2.9
335.25772	21.0
337.14444	8.4
355.15356	53.1
357.16904	18.0
363.19766	1.8
373.16443	5.1
375.18649	2.4
397.00626	1.9
411.18283	2.1
423.25739	2.2
429.19104	50.2
429.24643	3.1
431.20950	5.4
447.20206	3.5
461.26871	2.2
514.30463	2.2
547.24323	2.7
587.37573	6.1
597.35828	6.1
605.38513	3.9
615.36566	16.8
623.39496	6.5
633.37799	22.9
651.38873	5.5
661.40875	6.2
671.39587	2.7
679.41968	36.3
689.40442	51.7
707.41547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
57.07068	1.1
60.57114	1.0
67.05510	7.8
69.07082	1.4
70.65866	2.0
70.66209	2.2
73.28838	1.0
77.81205	1.2
79.05492	4.3
81.03423	3.6
81.07063	6.3
83.08626	2.0
87.04461	1.8
91.05492	4.5
93.07025	5.4
95.04976	2.0
95.08602	4.1
95.39121	1.0
97.02905	1.1
105.07034	3.9
107.08596	3.4
109.10207	1.0
109.25142	1.0
110.00534	1.0
117.06985	1.3
119.08521	1.0
121.10182	2.9
130.87300	1.3
131.08565	1.8
133.10136	2.1
135.11668	2.4
145.10168	1.8
147.11688	1.6
163.03891	1.9
184.07341	1.4
187.03951	1.4
200.75841	1.1
233.05374	1.0
257.94983	1.0
267.14020	1.6
335.25842	1.5
355.15433	1.3
429.19293	2.1
595.47327	4.6
615.37183	1.5
633.37445	1.4
679.42200	1.7
689.40649	2.6
707.37653	100.0
707.48553	6.6
708.38129	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	707.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.3
57.07083	1.4
64.15421	1.0
67.05511	6.6
69.07065	1.5
71.35117	2.0
79.05495	6.0
81.03411	2.8
81.07060	4.9
82.23034	1.2
83.08622	1.7
91.05501	4.7
93.07030	6.1
95.04959	2.6
95.08626	5.8
97.10203	1.5
104.73846	1.1
105.07060	4.3
107.08589	3.8
109.10110	1.6
119.08569	3.5
121.10159	2.4
131.08615	2.8
133.10136	2.7
147.11711	1.5
163.03865	1.9
169.82491	1.4
261.22256	2.5
355.15439	1.7
429.19598	2.2
595.47577	4.2
679.42206	1.9
689.40576	2.4
707.37634	100.0
707.47296	3.7
708.37549	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23364	0.3
60.61790	0.3
69.35247	3.3
69.88531	0.3
73.17718	0.3
74.34059	0.3
75.58050	0.3
81.03394	0.5
82.99843	0.8
94.99852	0.4
97.02885	0.5
101.00871	2.7
109.02816	0.5
112.89574	0.9
113.00852	0.8
114.89264	0.4
119.01918	12.0
127.02390	0.9
129.00356	0.4
131.01904	5.8
131.51959	0.4
137.01895	1.0
137.02933	2.4
142.03584	0.5
143.01891	12.8
145.03455	6.6
147.01410	0.9
147.05020	0.3
149.02971	0.8
152.02386	0.8
155.01881	6.8
157.03485	4.0
158.52423	0.4
161.02959	21.5
163.04498	1.5
167.01888	4.5
167.03136	0.6
169.03464	2.1
171.05052	2.4
173.02960	18.7
175.04547	2.2
178.49124	0.4
179.01926	1.2
184.04561	0.5
185.02956	34.7
187.04501	4.5
189.06026	0.4
191.03998	1.1
197.02954	13.3
199.04504	1.0
203.04007	13.6
209.02977	1.5
215.04019	8.8
221.05057	1.6
224.04623	0.4
227.03989	7.7
239.03981	0.8
245.05064	100.0
246.05232	2.4
254.05629	0.8
257.05060	4.6
263.06134	13.7
275.06091	10.1
284.06635	1.3
286.07642	0.6
287.06152	0.4
293.07153	3.6
305.03625	0.6
305.07147	11.1
317.07281	0.7
335.08197	4.0
347.08209	0.8
349.04230	0.4
365.09283	46.2
366.09631	0.7
383.10382	4.6
401.11298	0.4
406.12030	0.6
407.10245	0.9
425.11392	38.1
426.11703	1.0
437.11591	2.6
455.12326	1.7
485.13406	0.6
707.18701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06733	0.4
69.74136	2.8
81.03417	0.6
82.99858	0.9
94.92989	1.0
98.20830	0.9
101.00877	2.3
109.02848	0.6
112.89610	1.7
114.89314	0.9
119.01917	12.6
127.02422	0.8
131.01892	4.1
137.01888	1.4
137.02943	2.2
143.01888	14.4
145.03456	6.9
147.01369	1.0
149.03000	0.8
152.02422	1.1
155.01865	6.5
155.02939	0.7
156.04179	0.7
157.03488	3.7
158.02379	0.6
161.02954	21.8
163.04559	2.1
164.02361	0.4
167.01854	3.9
169.03485	1.8
171.05002	3.0
173.02960	18.2
175.04506	1.5
179.01883	1.6
179.90984	0.5
181.03462	0.5
184.04500	0.7
185.02953	36.0
186.03056	0.5
187.04512	4.4
191.01993	0.5
191.03993	1.3
197.01204	0.8
197.02960	14.2
199.04491	0.7
203.03998	13.1
203.53926	0.7
208.04538	0.6
209.02965	1.1
215.03995	9.6
221.05119	1.0
224.04530	0.7
227.04010	8.2
233.05099	0.7
239.04080	0.8
245.05067	100.0
246.05276	1.7
248.89618	0.8
257.05042	6.1
263.03333	0.8
263.06128	15.7
268.98529	0.5
275.06113	12.7
284.06616	1.7
284.56564	0.5
286.07730	0.4
293.07120	3.7
294.27844	0.4
305.07166	10.4
317.07129	0.5
335.08298	4.3
347.08423	0.6
365.09277	42.7
366.09485	1.3
383.10309	5.3
401.11371	0.5
425.11420	40.2
426.11325	0.6
437.11407	2.5
455.12531	2.4
485.13373	0.6
707.18353	1.2
724.87140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69692	3.7
53.03943	14.3
55.01880	7.9
55.05510	32.3
57.03434	16.3
57.07061	4.4
65.03931	6.0
66.25635	2.9
67.05504	100.0
69.03435	30.6
69.07058	28.8
70.77737	6.7
70.78099	6.5
71.04986	11.6
71.08624	4.4
79.05496	69.7
81.03417	48.2
81.07056	78.9
82.06590	2.8
83.04970	13.1
83.08609	13.6
85.02894	13.2
86.26579	2.8
89.83244	3.1
91.05479	56.7
93.07043	59.0
95.04960	24.8
95.08607	60.5
97.02898	24.7
97.06514	13.3
97.10158	9.9
99.04445	11.4
103.05469	3.1
105.07027	42.8
107.04948	16.0
107.08588	45.7
109.02888	19.3
109.06506	8.4
109.10165	37.3
111.04459	17.2
111.08104	7.1
113.09567	3.2
115.05424	3.9
117.06997	24.7
119.08578	35.2
121.06524	6.8
121.10139	29.6
123.08032	4.9
123.11713	12.5
125.06007	3.8
125.09647	9.8
126.92930	3.4
127.03913	12.2
129.05487	4.9
129.07004	13.3
131.08563	34.2
133.10133	34.5
135.08070	13.7
135.11697	30.0
137.09615	5.9
137.13246	3.6
141.07001	6.1
143.08574	14.9
145.06497	6.6
145.10124	30.9
147.08026	8.7
147.11664	20.7
149.09624	14.0
149.13269	9.2
151.11179	6.9
155.08572	10.1
155.60190	3.2
157.10143	13.2
159.08002	5.4
159.11702	19.1
161.09619	7.3
161.13242	8.6
163.11198	14.6
167.08569	4.6
169.10120	4.8
171.11708	11.6
173.09637	6.2
173.11855	3.3
173.13260	8.9
175.11116	5.4
175.14877	6.6
181.10091	6.0
181.12163	3.5
183.11700	7.6
185.09639	3.1
185.13268	8.8
187.14775	5.3
191.10649	5.0
197.13318	3.7
199.11317	6.0
199.14844	5.8
209.11726	39.9
211.14767	4.3
225.99083	3.4
227.12830	8.5
227.16467	7.9
229.14381	8.0
240.04976	3.1
244.89767	3.3
253.14336	4.0
261.22192	11.6
268.18213	3.2
273.22208	4.2
275.19998	9.2
283.15335	16.0
291.23236	5.2
301.21487	6.0
315.23221	5.7
325.21655	3.3
335.25827	9.2
369.24234	5.1
399.25598	4.9
451.32190	6.2
469.32986	9.3
487.34360	9.2
501.35709	7.7
519.36591	14.5
525.35443	16.5
543.36871	78.3
561.37726	12.3
613.36285	3.7
669.39264	8.3
687.40906	19.7
688.39899	3.7
705.29407	4.4
705.41919	50.2
705.54425	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	705.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73040	0.8
56.96563	2.1
57.03419	1.0
65.11878	0.8
71.32033	1.1
80.80077	0.9
84.96035	2.0
85.02919	1.1
86.06059	1.2
93.45148	0.7
97.02901	1.1
98.97570	13.1
110.97567	7.4
116.98616	10.3
121.15625	0.7
128.98596	13.8
131.00162	1.6
134.99677	4.4
146.99670	11.3
149.01251	1.2
150.57806	0.8
158.99649	12.5
161.01202	1.7
165.00754	2.4
170.99649	17.0
171.01041	1.2
173.01254	1.4
177.00708	16.2
179.02255	0.9
182.99698	2.1
189.00713	33.9
191.02301	3.2
195.01826	1.7
201.00690	14.6
207.01714	6.8
207.03279	0.7
213.00668	0.8
219.01756	23.5
231.01880	3.0
237.00668	1.0
237.02791	8.4
243.01840	2.8
245.05118	0.9
249.02792	5.2
255.03940	2.1
261.02850	9.4
273.02939	1.1
279.03912	8.6
285.02725	3.8
291.03870	14.0
303.03973	2.9
309.04950	3.6
315.03793	0.9
321.05008	6.1
333.05069	1.6
351.06100	2.5
363.06348	5.2
381.07077	19.0
399.08096	14.6
399.12817	1.0
417.09250	1.0
423.07996	6.1
441.09393	1.8
453.09442	3.7
471.09967	1.0
525.12134	10.9
543.12653	24.6
597.58771	0.9
705.18439	100.0
706.18805	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1848
Annotation	Diinsinin
Peak:m/z	Relative Intensity
69.03456	1.0
71.59740	1.4
73.02964	0.9
89.60704	0.8
94.93008	1.6
112.89608	2.0
114.89309	4.1
141.00548	0.8
152.38618	0.8
158.99666	1.2
171.64330	1.0
176.42056	0.8
189.00699	1.1
200.04604	0.9
201.37024	0.8
212.85359	2.0
219.01900	1.2
235.01883	0.9
248.89659	2.0
272.06415	1.0
281.07047	1.0
286.72501	0.9
362.09763	1.5
362.60117	1.1
362.79489	1.2
363.06976	2.3
381.07773	1.4
384.84259	0.9
525.12091	9.8
543.13153	12.3
705.18481	100.0
706.19098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01876	0.5
57.03428	0.3
59.98066	0.2
61.02912	0.6
65.50083	0.2
66.04740	0.3
68.66084	0.2
69.03419	1.4
70.06586	0.4
71.04977	0.2
71.59003	0.3
73.02908	0.3
79.05479	0.9
81.03394	0.8
81.07044	0.4
82.36337	0.2
84.08122	0.3
85.02904	5.6
87.04445	0.3
91.05481	1.5
93.07024	0.2
94.04181	2.0
95.04968	0.7
97.02887	1.6
103.05460	5.6
105.07028	3.0
107.04946	1.0
109.02877	0.7
109.06507	0.9
110.06100	0.2
110.07095	0.2
115.05429	0.5
117.07008	0.8
119.04930	0.5
119.08544	0.3
121.06494	2.9
122.03649	5.1
123.04444	0.4
123.08076	0.6
127.03912	0.9
128.06210	0.8
129.06999	0.5
131.04924	8.1
131.08588	0.4
133.06487	16.7
134.06816	0.3
134.99734	0.2
135.07100	0.4
135.08052	5.7
135.09103	0.3
137.05969	100.0
138.06323	1.1
143.04916	0.6
143.08594	1.5
145.04941	0.9
145.06483	3.9
145.09998	0.2
147.08018	1.3
149.06009	1.4
151.07536	6.1
157.06458	1.6
159.08040	0.6
160.05208	0.3
161.05956	0.6
162.06776	0.6
163.07535	28.0
164.07881	0.3
165.09094	0.4
171.08034	2.2
173.06088	0.2
174.06799	0.8
175.07547	2.1
177.09119	0.9
187.07544	0.9
188.08322	0.8
189.09088	3.6
203.10646	5.4
204.11029	0.2
207.08116	0.3
207.10095	0.3
217.10158	0.3
220.08928	0.3
221.11671	1.1
235.11116	1.1
245.09677	0.7
248.08217	0.4
256.47372	0.2
257.06854	0.2
263.10626	2.0
281.05573	0.2
295.13281	16.2
296.13425	0.5
327.15891	33.2
328.16272	0.5
345.16998	4.8
346.17279	0.2
429.67087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
56.96573	2.9
57.03423	2.0
61.02933	1.7
61.31243	1.2
65.03965	1.5
65.35604	1.2
67.05494	2.9
69.03426	3.8
69.07063	1.7
70.06594	2.4
71.59222	1.7
72.08147	1.8
73.02917	1.3
79.05504	2.5
80.05028	1.9
81.03426	3.8
82.06599	1.5
84.08127	1.4
85.02895	9.4
86.09717	2.7
91.05498	3.8
93.07036	6.7
94.06562	7.8
95.04937	1.2
95.07360	7.4
96.08127	16.9
97.02889	5.5
97.06527	1.3
98.97575	1.5
103.05470	3.4
104.10729	1.2
105.07043	1.5
108.08128	14.2
109.02894	2.2
110.09678	34.5
110.10380	2.2
115.03939	1.2
116.98659	1.3
118.06619	1.5
119.08593	1.3
120.08102	23.4
121.06519	1.9
122.06026	2.7
124.07583	2.0
127.03927	3.3
133.06499	1.5
134.99677	1.6
136.07570	11.7
137.05981	2.7
138.05524	1.6
138.09137	41.0
145.10147	1.8
146.05991	13.3
147.11652	1.3
148.07571	9.7
150.09157	3.5
151.07480	1.5
158.99594	1.2
166.08636	85.4
167.07074	2.0
174.05557	2.1
184.07300	1.4
188.07069	1.7
192.06667	1.1
206.08156	2.9
211.08527	1.2
213.10269	1.5
223.08672	1.7
224.09242	1.8
225.10258	4.5
227.08292	1.8
237.10228	10.9
239.08067	6.2
239.11737	2.6
241.09752	4.6
248.82782	1.3
251.08144	3.1
252.08946	1.6
253.09665	13.5
255.07494	1.7
255.11336	3.6
265.09750	21.8
266.10385	2.8
267.11334	6.0
269.09134	3.1
281.09155	14.8
282.10007	1.3
283.10812	14.6
287.10147	1.7
293.09198	15.6
294.10071	1.7
295.10767	15.3
297.09036	1.2
299.10400	4.9
301.11786	3.7
309.08600	3.0
311.10248	16.3
313.11819	5.8
321.08685	9.2
327.09753	15.4
331.13132	1.6
339.09735	29.1
341.11292	3.2
353.11374	4.4
359.12360	35.4
371.12332	17.4
388.16751	1.7
418.17624	4.4
436.19275	2.2
446.17160	8.8
448.18811	3.3
464.18262	17.0
466.19742	8.4
474.16458	2.4
492.17667	100.0
493.17215	2.5
503.80905	1.3
506.19101	7.8
510.18646	4.8
524.20288	70.1
525.19940	2.2
542.21124	4.4
579.33203	1.1
612.85260	1.1
654.23340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	0.8
55.05510	11.5
57.03437	3.3
57.07071	8.4
59.04996	0.4
61.02907	0.7
64.60951	0.4
65.03921	0.5
67.05503	13.4
69.03412	1.5
69.07073	3.2
69.08298	0.4
71.04961	0.6
71.08345	0.3
71.08631	3.8
71.60083	0.3
71.60497	0.5
72.56599	0.4
73.02892	1.9
76.19839	0.4
79.05490	8.6
81.03415	0.5
81.07053	11.8
83.04976	1.0
83.08615	8.3
84.85641	0.4
85.02906	0.6
85.06513	0.5
85.10170	2.4
87.04469	1.9
89.06027	13.6
91.03961	0.6
91.05466	3.3
93.07039	7.5
95.04948	0.7
95.08606	10.5
97.10165	13.9
99.04491	0.4
99.08090	0.4
102.18833	0.4
105.07005	1.9
107.07048	1.3
107.08592	7.2
109.06577	0.6
109.10149	5.2
111.08104	0.8
111.77653	0.4
117.06983	0.9
117.09162	0.5
119.08553	1.9
121.10123	3.4
123.11694	1.7
125.09630	13.7
125.47814	0.4
130.08629	0.8
131.07019	0.5
131.08569	1.3
133.08598	9.6
133.10126	1.6
135.08049	1.5
135.11684	1.7
143.10660	0.9
145.10103	1.2
147.11644	1.1
147.37581	0.4
149.13248	1.1
153.09077	0.6
159.11723	0.9
161.13248	1.0
163.14786	0.7
164.25244	0.4
171.10139	0.6
173.11877	0.5
173.13261	1.2
177.11218	2.7
187.14787	0.7
189.11224	11.1
227.12782	18.3
227.20044	100.0
243.21074	1.8
245.13843	25.6
261.22125	6.6
271.22641	1.9
283.17981	0.5
317.24857	0.9
335.25787	24.5
359.28046	0.7
426.21182	0.4
487.34201	2.0
505.35217	16.3
523.35663	0.5
553.69312	0.4
702.48645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
54.12016	1.4
55.01872	4.4
55.05509	50.6
57.03434	14.6
57.07069	6.0
61.02916	4.7
65.03952	2.2
67.05503	54.2
68.25297	2.0
69.03422	7.3
69.07068	17.0
69.43031	15.8
71.08615	2.5
73.02909	1.7
74.74046	1.8
78.90872	1.5
79.05493	34.6
80.11003	1.4
81.07053	47.4
83.04974	6.4
83.08617	32.7
85.02901	4.5
85.06548	2.5
91.05483	11.7
93.07037	29.2
95.04976	2.6
95.08604	29.1
97.02882	2.7
97.06539	2.8
97.10169	69.3
105.07034	11.2
107.08591	32.2
108.73314	1.6
109.06510	2.0
109.10137	14.3
111.08075	4.0
117.07031	4.7
119.08573	6.7
121.10150	13.5
123.11706	4.5
125.09622	58.4
125.10555	3.2
126.10010	1.7
131.08559	6.0
133.10130	5.9
135.08047	7.1
135.11693	7.6
143.10725	2.8
145.10129	3.9
147.11673	4.5
149.13237	7.0
153.09131	4.5
159.11659	4.2
161.13281	2.7
163.14864	2.0
171.10138	2.9
173.13335	2.8
177.16423	2.4
184.07410	2.4
187.14900	2.8
189.09561	3.5
189.11211	50.7
227.10497	3.3
227.12776	73.5
227.20052	11.8
243.21107	6.9
245.13837	100.0
261.22192	21.7
279.23242	2.7
317.24783	4.2
335.25790	64.6
431.31519	2.2
468.37616	3.0
487.34009	6.2
505.35190	40.7
523.35950	3.9
529.38794	2.9
702.49121	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	702.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01860	0.4
56.82333	0.3
61.02925	0.7
65.03946	0.4
69.03429	1.6
69.07062	0.5
69.57189	1.6
69.57602	0.5
70.06574	1.0
71.04987	0.4
77.19808	0.3
78.83083	0.3
79.05482	0.6
79.43115	0.3
81.03401	0.9
81.07037	0.8
83.04982	0.3
85.02898	6.0
86.09705	0.5
91.05477	7.2
93.07024	0.5
94.04182	0.5
95.04957	2.3
95.08567	0.3
97.02898	2.1
103.05448	1.3
105.07035	1.8
106.21787	0.3
107.04951	2.2
109.02882	0.7
109.06508	1.8
111.04417	0.7
113.05959	0.4
115.05460	0.9
117.07036	0.5
119.04942	6.7
121.06505	1.8
122.03625	1.5
123.08038	0.5
125.05983	0.3
127.03903	0.9
128.06195	0.7
129.07002	5.4
131.04941	2.5
131.08569	0.5
133.06468	1.1
135.08041	2.0
136.05188	1.2
137.05974	32.1
143.04938	0.4
143.08601	0.3
145.04961	0.7
145.06456	1.4
146.03630	0.3
146.07312	0.3
146.71187	0.4
147.04419	0.6
147.08061	0.5
149.04800	0.3
149.05992	5.9
151.03900	0.9
151.07536	43.1
152.06238	0.6
157.06474	4.2
161.05972	5.2
161.09641	1.2
162.06787	0.4
163.03957	0.4
163.07535	11.5
165.07027	1.2
165.09103	2.0
167.07152	0.5
167.08542	4.6
174.06792	2.6
175.07555	2.6
176.08311	0.3
177.09096	5.8
178.07721	0.9
179.08578	0.8
181.06462	0.8
182.07219	0.4
183.08098	0.5
187.07439	0.6
189.09102	14.4
191.10704	0.5
193.06499	1.7
193.08443	0.4
193.10075	2.3
194.07260	0.8
195.08055	8.4
197.06090	0.6
197.09598	0.5
202.07707	0.3
203.08612	0.8
205.06487	0.5
206.07240	0.6
207.08273	0.6
207.10141	2.7
209.06134	0.5
209.07907	0.5
209.09630	1.4
210.06731	0.8
210.10370	0.3
211.07507	0.9
212.08318	1.5
213.09108	0.4
219.10231	0.5
220.08971	0.4
221.06018	3.5
221.09610	4.3
221.11665	0.7
222.06902	0.5
223.07541	4.5
224.08286	1.4
225.05666	0.6
225.09102	3.6
227.07219	0.6
227.10658	14.3
234.06738	0.4
235.07555	0.7
237.09016	1.7
238.06253	1.2
238.09927	0.6
239.07043	0.7
239.10738	0.7
240.07762	1.0
241.08595	0.4
241.12238	0.6
245.69048	0.4
249.09148	2.6
250.09851	0.5
251.10834	0.5
252.07849	0.6
253.08627	5.2
253.12253	7.3
255.10175	13.5
256.10934	0.5
265.08630	1.0
265.11938	0.3
266.09335	0.4
267.10168	2.4
268.22943	0.4
269.08170	1.7
269.11694	1.2
270.08911	0.6
272.10355	1.7
281.11682	3.1
284.10400	1.2
285.11218	9.4
287.12769	23.2
288.12900	0.5
293.11685	0.6
297.11163	0.6
298.12027	0.8
299.12823	1.4
301.14331	0.8
311.12756	0.9
313.14325	17.8
331.15384	100.0
332.15796	1.5
343.15402	3.9
348.34314	0.3
540.19885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
67.05490	0.3
69.45301	0.3
69.45699	1.3
81.07064	0.3
91.05467	0.2
95.08613	0.2
95.56458	0.2
98.20741	0.2
133.03473	0.2
155.66679	0.1
161.02965	0.2
171.05092	0.1
173.03014	0.2
185.04260	0.8
203.05286	1.7
259.07941	1.4
305.08218	0.3
321.22867	0.5
339.23773	0.3
347.09348	1.1
361.17148	0.2
365.10507	2.6
381.20227	0.2
421.13327	1.0
539.31903	16.0
540.32605	0.3
701.37122	100.0
702.37360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
57.03424	4.0
57.07072	35.9
61.02926	14.9
67.05492	7.5
69.07053	6.4
71.08631	28.9
71.60885	2.4
71.61550	1.9
73.02894	4.8
75.04482	4.0
81.07053	15.2
83.08631	10.4
85.02904	15.6
85.10181	16.7
91.03956	11.2
93.07041	1.6
95.08589	20.3
97.02905	5.8
97.10168	9.2
105.06953	1.8
106.17558	1.7
106.34975	1.5
109.10158	11.7
111.11725	2.8
122.00567	1.7
123.11699	5.0
127.03909	3.6
137.13242	1.9
145.04939	6.0
156.13153	1.6
163.06024	11.5
184.07378	3.2
192.61258	1.9
203.76079	1.9
249.25668	2.3
267.26816	19.1
285.28021	3.7
341.30496	100.0
359.31543	25.2
422.75577	1.8
700.44427	5.7
701.44934	2.2
733.67151	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82870	0.3
55.05460	2.2
56.96514	17.8
56.96826	1.3
57.75697	0.3
59.55374	0.4
67.05482	0.8
70.73119	1.1
71.95203	1.2
72.95996	0.9
74.97580	0.7
75.85403	0.4
79.05447	0.5
81.07002	0.7
83.08553	1.3
84.95964	0.6
85.02821	0.6
88.63995	0.3
91.05431	0.4
92.98637	0.3
95.08575	0.3
97.06479	0.4
97.96804	0.5
109.06398	0.4
110.84038	0.3
110.97556	0.7
116.98631	0.3
119.08596	0.3
121.10136	0.4
123.01183	0.7
127.00613	0.3
128.98579	0.9
133.01685	0.8
133.10078	0.3
137.02719	0.4
141.02171	0.9
145.01691	0.4
145.10036	0.6
146.99588	1.5
155.03725	1.3
159.03259	0.9
163.11212	0.3
165.00717	0.5
167.03874	0.4
167.98268	0.3
169.05299	0.5
171.03371	0.8
173.04845	1.3
175.02808	0.4
177.04308	0.7
179.05725	0.4
181.05238	0.4
183.03104	0.5
185.04794	1.1
186.13908	0.4
187.06396	0.5
189.04298	1.4
189.07967	1.2
191.05844	0.7
195.06879	1.1
199.06400	2.8
201.04300	0.6
201.07933	0.9
203.05905	2.8
205.07420	0.7
207.07001	0.6
207.08974	1.1
211.06378	1.2
213.06038	0.6
213.07970	7.4
215.05742	0.6
215.09497	0.8
217.07480	6.8
219.09000	0.5
221.06755	0.5
221.08601	0.6
223.10048	1.2
225.07959	3.9
225.11415	0.6
227.09401	0.5
229.07483	5.1
231.09026	17.6
233.10794	0.4
235.06332	0.5
235.08376	0.4
237.07892	2.7
239.09500	4.8
241.11102	7.9
243.09039	5.5
245.10599	0.8
247.08536	5.3
251.09509	5.9
253.11082	1.2
254.10611	0.7
255.09015	5.4
257.10605	6.2
259.12170	16.3
261.10019	1.0
262.11075	0.5
264.12521	0.6
265.11337	0.5
267.09052	0.5
269.10599	44.8
270.10858	0.7
271.12119	1.1
273.10107	4.2
281.10590	0.5
282.13733	0.8
285.10193	0.6
287.11655	29.1
292.12231	3.5
295.11868	0.5
299.11560	0.5
309.17398	0.5
310.13177	1.2
315.16330	1.3
323.18918	0.8
333.17386	15.6
339.18414	1.2
351.18411	40.3
352.18576	0.5
369.19473	91.5
370.19806	1.0
374.20059	2.8
386.22299	0.4
387.20529	100.0
388.20898	1.4
392.21036	0.9
410.22165	15.6
581.34137	0.5
681.42426	1.2
699.43658	28.0
700.43665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78695	0.1
54.27569	0.1
56.32446	0.2
70.32118	0.7
83.47528	0.2
90.42365	0.2
101.47446	0.2
106.99403	0.2
119.01972	0.2
131.01956	0.2
132.15947	0.2
161.02957	0.5
173.03008	0.6
178.24768	0.2
185.04243	0.5
203.05298	0.3
227.43927	0.2
259.07886	0.3
277.07516	0.2
301.20111	1.5
305.07407	0.3
319.21301	0.4
340.19043	0.2
347.09665	1.1
375.24997	0.3
421.13159	0.3
537.30341	17.7
538.30750	0.8
538.38965	0.2
699.35577	100.0
700.36023	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.5
71.59636	0.1
79.05492	0.2
81.07055	0.3
82.25451	0.2
90.05813	0.1
91.05475	0.3
93.07020	0.3
95.01947	0.2
95.04934	0.2
95.08638	0.3
105.07033	0.5
107.08581	0.3
109.06492	0.3
109.10150	0.2
111.80528	0.2
119.01946	0.2
119.08577	0.2
121.10180	0.3
123.08096	0.2
126.20766	0.2
130.80975	0.2
131.08624	0.2
133.03491	0.6
133.10149	0.4
145.05058	0.2
151.07550	0.4
156.63457	0.2
161.02921	0.3
163.11246	0.2
173.02988	0.7
175.04733	0.2
185.04250	0.5
187.04559	0.2
191.29434	0.2
198.47157	0.2
203.05302	1.5
221.15462	0.2
245.05125	0.4
259.08002	1.1
262.21628	0.2
296.90561	0.2
299.18506	1.6
305.07541	0.4
317.19708	0.5
347.09317	1.3
359.15750	0.3
359.65570	0.4
365.10529	2.6
373.23151	0.5
421.13080	1.1
535.28760	14.0
536.28961	0.2
697.33978	100.0
698.34198	1.8
710.42188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01870	0.5
55.05497	0.8
57.03434	1.9
59.04987	0.3
61.02925	3.5
67.05504	2.1
69.03431	2.5
69.07065	0.5
70.06593	0.3
70.99886	0.4
71.00222	0.5
71.04994	0.5
73.02919	2.4
79.05500	2.0
81.02961	0.5
81.03415	4.6
81.07038	2.2
83.04986	0.9
83.08609	1.4
85.02904	6.3
91.03957	2.2
91.05473	3.0
93.07029	1.7
95.04958	2.1
95.08620	1.0
97.02896	3.3
97.06541	0.7
98.46962	0.3
99.04435	0.7
99.08095	0.4
101.02380	1.3
105.07020	2.2
107.04951	1.1
107.08592	0.8
109.02894	0.6
109.06547	0.7
111.08105	0.8
111.46056	0.3
115.03947	0.3
119.08607	2.1
121.10145	1.1
123.08087	0.4
127.03935	1.2
129.07018	0.9
131.08574	0.9
133.06441	0.3
133.10129	1.2
147.08060	0.3
147.11723	1.5
149.09645	0.8
157.10127	1.2
171.11696	0.2
175.11240	1.1
185.04268	0.4
193.12250	1.8
203.05261	0.5
211.13364	0.9
221.11464	0.3
243.08424	2.1
248.29753	0.3
251.12709	1.3
286.33038	0.3
307.15027	0.8
339.07510	0.3
469.20432	11.3
535.28778	0.5
697.33990	100.0
698.34088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1611
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
60.02916	0.1
66.92010	0.1
67.01832	0.3
68.99474	0.1
68.99789	0.2
69.03378	0.2
70.06588	0.4
70.84915	0.2
81.03394	0.1
81.07023	0.1
84.04460	0.1
84.08088	0.2
85.02861	0.2
86.06030	0.1
86.09698	0.1
89.03880	0.1
97.02844	0.1
100.11221	0.1
103.05393	0.1
107.01295	0.1
107.04929	0.1
109.02854	0.2
117.03347	0.1
127.03875	0.2
129.01784	0.1
129.10202	0.1
129.48618	0.1
135.04422	0.9
137.02380	0.3
137.05907	0.1
145.04906	0.1
153.01823	2.8
161.02290	0.4
171.02904	0.6
179.03323	0.2
183.80228	0.1
188.57434	0.1
199.03860	0.1
201.05511	0.1
203.03409	0.1
218.59810	0.1
219.06535	0.1
231.06593	0.1
234.01814	0.1
241.04933	0.4
263.05643	0.1
269.04431	0.3
284.35648	0.1
286.04541	0.1
287.05487	100.0
288.05762	0.8
332.11169	0.1
373.13599	0.1
449.10797	12.6
450.11078	0.1
480.86633	0.1
491.11829	0.3
517.09900	0.2
535.10815	4.7
611.16089	0.8
653.16577	0.1
679.15027	0.1
696.53693	0.1
697.16089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05262	1.2
55.05510	15.9
57.03438	7.3
57.06828	0.8
57.07074	10.9
61.02927	24.6
65.03944	2.0
67.05503	65.8
69.03434	3.6
69.07066	25.1
71.04972	1.6
71.08630	6.3
73.02911	8.4
75.04455	0.9
79.05060	1.4
79.05491	18.4
81.03392	1.9
81.07056	82.5
83.04968	1.6
83.08622	18.5
85.02905	27.7
85.06522	3.0
85.10165	2.4
91.03959	20.6
91.05477	14.1
93.06472	1.1
93.07043	20.8
95.04963	2.0
95.08605	73.5
95.63658	0.7
97.02890	14.2
97.06531	6.6
97.10169	13.6
99.04446	1.3
99.08063	3.5
103.03928	0.9
105.07021	10.8
107.08589	16.0
109.02893	1.2
109.06506	1.2
109.10155	35.4
111.08096	3.7
111.11720	3.7
113.09620	2.5
115.03911	1.7
119.08575	10.4
121.10140	18.4
123.08074	1.3
123.11707	18.0
125.09608	1.7
125.13274	1.3
127.03912	9.0
127.11152	1.9
133.10124	17.5
135.11697	12.9
137.09595	2.0
137.13275	7.5
139.11180	2.0
139.14745	1.0
141.12704	3.6
145.04955	11.5
147.11685	8.8
149.13255	12.2
151.11137	1.7
151.14825	6.5
153.12750	0.8
155.14294	4.2
161.13254	14.8
163.06017	18.7
163.14815	9.9
165.12727	1.2
165.16415	10.5
167.14293	1.2
175.14825	9.6
177.16383	2.1
179.14345	1.6
179.17967	6.8
179.75092	0.7
181.15900	1.6
189.16417	4.4
193.15848	1.2
199.16907	0.9
201.96924	0.9
203.17947	1.2
207.17456	1.5
217.19519	1.2
245.20038	1.4
245.22647	65.9
263.23697	100.0
264.23996	1.2
265.25281	1.3
281.24814	3.1
337.27359	73.2
338.27835	1.0
349.13452	0.7
355.28424	12.8
389.27289	0.9
438.55121	0.9
481.31857	1.0
499.32611	6.3
716.94440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38720	4.6
52.62502	3.8
53.98631	4.2
55.05498	18.0
55.53828	4.0
57.03441	4.5
57.07048	5.1
61.02923	36.1
67.05504	69.4
67.05848	3.4
69.03423	5.4
69.07062	11.7
73.02905	10.8
79.05493	36.5
81.03397	3.9
81.07057	72.4
83.04967	4.6
83.08615	9.4
85.02902	51.3
91.03941	34.9
91.05463	17.7
93.07043	54.1
95.04959	4.2
95.08599	52.6
97.02892	21.8
99.04478	4.2
105.07017	15.8
107.08590	45.2
109.10138	28.1
117.07016	7.5
119.08576	17.3
121.10144	34.0
123.11702	14.7
125.09643	4.0
127.03895	15.6
128.44800	4.2
131.08594	22.5
133.10104	16.6
135.11665	22.9
137.13213	9.0
145.04933	19.4
145.10103	17.0
145.22578	4.3
147.11668	14.4
149.13268	20.2
159.11682	20.7
161.13275	10.4
163.05998	24.4
163.14784	16.5
167.43584	4.2
173.13254	19.0
175.14789	4.6
177.16367	6.2
184.11638	4.4
187.14786	7.5
243.21059	40.9
261.22141	100.0
313.04922	4.3
335.25836	18.7
353.26810	59.3
694.34027	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	695.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13388	0.2
55.05470	0.2
56.96506	10.5
56.96815	0.9
57.03363	0.2
70.06544	0.3
70.34389	0.7
71.95258	1.2
72.67265	0.2
72.95989	0.5
74.97562	0.2
79.05489	1.1
81.07053	2.8
84.95970	0.4
91.37286	0.2
97.96801	0.7
98.97514	0.5
110.97543	0.8
111.71546	0.2
115.97742	0.4
116.98556	0.5
127.02328	0.2
128.98587	1.4
133.01654	0.3
133.98778	0.3
134.99571	0.3
137.02684	0.3
142.64380	0.2
145.90411	0.2
146.99641	2.0
147.03227	0.3
149.01154	0.2
151.00604	0.2
153.02155	0.3
155.03732	0.6
157.01682	0.2
159.03198	0.4
160.00400	0.4
161.01195	0.7
165.00693	0.4
165.04364	0.2
169.01668	0.4
169.05281	0.4
171.03203	0.7
173.01175	0.3
173.04765	0.6
175.02731	0.2
177.04251	0.3
177.05750	0.2
181.05283	0.3
183.03250	0.3
184.03987	0.2
185.01172	0.4
185.04857	1.0
187.02682	0.6
187.06337	0.4
189.04283	0.7
191.05786	0.3
195.06926	0.9
197.08485	0.2
199.02669	0.2
199.06416	1.9
201.04300	0.5
201.07881	0.3
203.04463	0.2
203.05927	1.9
205.05646	0.2
205.07399	1.2
207.06908	0.3
209.04890	0.2
209.08461	0.3
211.06335	0.8
213.04477	0.3
213.07953	5.7
215.05783	0.3
215.09506	0.2
216.06619	0.2
217.05673	0.1
217.07451	3.6
219.09018	0.3
221.06694	0.2
221.08549	0.4
223.02745	0.7
223.06364	0.3
223.08458	1.7
223.10333	0.4
225.07953	2.9
226.05226	0.3
227.05823	0.3
227.09518	0.3
229.07462	3.0
231.09026	11.0
232.09575	0.2
235.06093	0.2
237.04317	1.0
237.07936	1.3
239.09528	2.6
241.03836	0.3
241.07486	0.3
241.11116	3.7
242.08240	0.7
243.06653	0.2
243.09026	3.3
245.06927	0.4
245.10588	0.5
247.08513	2.7
249.07904	0.5
251.05727	0.2
251.09500	4.4
253.11024	0.9
254.10631	0.4
255.05272	0.3
255.08998	6.2
257.06854	0.2
257.07770	0.3
257.10599	3.1
259.12140	5.5
260.09290	0.4
261.07739	0.3
261.10135	1.0
262.08615	0.2
265.11176	0.3
266.10559	0.3
267.09073	0.6
269.10583	26.7
270.10855	0.6
271.12119	0.6
273.07233	0.3
273.10071	5.1
278.10544	0.3
279.09009	2.3
280.09732	1.6
281.10568	0.3
285.10159	0.6
287.11636	16.1
288.12109	0.3
292.12106	1.5
293.14139	0.3
297.10117	3.2
298.10837	1.8
307.12354	0.2
307.15820	0.5
310.13126	0.6
312.08734	0.2
313.14719	0.7
315.11102	1.5
316.11871	0.7
319.15613	0.3
321.17276	0.3
325.16931	0.4
331.15747	7.7
337.17068	0.2
349.16833	16.9
350.17035	0.4
367.17886	100.0
368.18292	3.0
372.18497	1.2
385.18945	21.4
386.19360	0.8
408.20551	5.2
409.20859	0.3
496.32730	0.2
514.32751	0.4
645.43195	0.2
645.55835	0.2
677.38953	1.1
695.40509	10.5
696.40839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05498	9.4
57.03429	8.7
57.07070	3.4
60.02488	1.7
61.02924	26.0
61.73851	1.8
63.23314	1.6
67.05502	67.4
69.03428	3.1
69.07070	12.9
70.66750	3.0
70.67091	3.0
71.04971	2.4
73.02917	12.1
79.05057	2.8
79.05493	32.3
80.53304	2.0
81.06577	4.2
81.07054	72.3
83.08614	10.1
85.02904	32.6
85.06563	2.3
91.03958	30.1
91.05479	16.6
93.07040	41.9
95.04984	2.6
95.08603	59.7
97.02894	17.7
97.06532	2.3
97.10172	2.5
99.04450	2.4
105.07034	14.7
107.08596	35.0
109.10159	28.5
110.95242	2.0
115.03862	2.3
117.07037	10.0
119.08559	12.8
121.10136	32.2
123.11717	17.0
125.09664	1.9
127.03925	10.1
131.08566	14.5
133.10118	8.3
135.11685	24.8
137.09587	2.7
137.13223	8.3
138.21202	2.0
139.11040	2.4
142.31506	1.9
145.04941	13.3
145.10132	17.1
147.11723	10.4
149.13258	16.1
151.14828	3.1
159.11693	13.0
161.13266	13.7
163.06012	23.0
163.14778	17.4
165.12743	1.9
171.38652	1.9
173.13275	17.2
175.14853	5.3
177.16426	4.9
178.04645	2.1
179.14291	3.4
187.14828	8.0
191.14386	2.0
201.16403	2.2
205.15907	2.8
206.26733	1.7
215.17886	2.2
233.22630	4.6
243.21069	34.9
261.22134	100.0
279.23224	6.9
335.25720	28.9
353.26843	53.2
354.27338	2.3
497.30948	4.3
515.74561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.05519	10.3
57.03442	5.0
57.07061	4.0
61.02642	1.6
61.02930	25.3
65.03936	2.5
67.05505	60.9
69.03437	2.7
69.07069	11.3
69.87950	6.7
71.04984	1.9
71.08625	1.5
72.28299	1.2
73.02914	11.6
79.05494	36.8
81.03388	2.2
81.07059	65.2
83.04971	1.2
83.08619	7.0
85.02419	1.9
85.02905	31.2
85.06544	1.4
91.03963	29.2
91.05478	21.2
93.07045	54.8
95.04939	3.7
95.08607	57.8
97.02897	16.2
97.06506	2.1
97.10203	2.0
99.08087	3.0
105.07047	16.1
107.08599	36.8
109.06544	1.8
109.10160	33.0
111.08074	2.3
111.11753	1.1
113.09647	1.5
117.07024	9.3
119.08583	13.7
121.09305	2.3
121.10150	37.9
123.11718	13.6
125.09659	2.1
126.46080	1.0
127.03918	9.0
131.08574	18.3
133.10143	12.8
135.11684	24.7
137.09723	1.2
137.13242	7.9
145.04968	11.3
145.10144	14.1
147.11703	9.6
149.09608	1.2
149.13260	24.6
151.11180	2.3
151.14783	1.7
153.12808	2.0
157.53232	1.1
159.11694	15.9
161.13263	13.0
163.06020	22.9
163.14806	14.8
165.12776	3.7
173.13264	16.1
175.14787	3.5
177.12764	1.4
177.16382	7.5
179.14294	3.2
187.14818	9.7
191.14302	2.2
201.16391	3.5
205.15887	2.5
211.78358	1.2
215.18044	1.7
219.17393	1.4
233.19193	1.2
233.22653	2.1
243.21086	37.9
247.44910	1.1
261.22156	100.0
262.22418	3.3
263.23596	2.0
279.23120	3.4
328.34210	1.0
335.25845	17.1
353.26874	45.5
354.27008	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.8
69.29126	5.3
69.29552	1.0
75.04449	0.5
79.05495	0.9
81.03355	0.6
98.97623	0.9
106.71017	0.5
110.97535	0.6
114.41853	0.5
116.98601	0.9
128.98622	0.6
134.99632	0.5
138.44797	0.5
149.01172	1.2
158.99635	0.8
167.67181	0.5
170.99669	0.7
174.15375	0.5
177.00647	0.8
189.00774	0.9
201.83406	0.5
228.94958	0.5
293.05475	1.3
321.05078	1.6
354.23126	0.5
455.11020	0.7
476.33261	0.6
693.34497	100.0
694.34613	5.7
715.17950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01865	0.2
55.05516	1.2
57.03423	0.7
61.02916	0.7
67.05498	0.2
68.99802	0.4
69.03400	0.5
70.06586	0.4
71.01324	0.3
71.60269	0.3
73.02916	4.4
79.05518	0.2
85.02907	0.8
86.06073	0.2
86.09694	0.3
91.05459	0.2
95.04926	0.2
97.02899	0.3
97.06510	0.4
107.04962	0.8
109.02843	0.2
115.03914	0.2
115.08640	0.2
116.98724	0.2
119.08617	0.2
119.27168	0.2
123.04424	0.3
125.89935	0.2
127.03888	0.4
129.06998	0.2
131.04977	0.2
131.08575	0.2
137.06029	0.2
139.03911	1.4
145.06512	0.2
148.87483	0.2
149.07452	0.4
150.03035	0.2
150.49727	0.2
151.03896	0.3
153.01822	18.1
159.04462	0.3
163.03897	0.4
167.07053	1.3
171.02754	0.2
173.09573	0.2
175.03958	0.3
177.05542	0.5
179.03398	0.6
183.08078	0.3
185.05896	0.2
188.04709	0.2
189.01830	0.8
192.04240	0.2
197.11624	0.2
199.07536	0.2
201.05545	0.3
201.09077	0.4
203.03334	0.3
203.07057	0.5
205.04942	0.4
207.02908	0.3
216.07854	0.6
217.08597	0.4
219.02884	0.2
219.10225	0.2
227.06970	0.3
229.05110	0.2
229.08653	0.5
231.02829	0.3
232.03651	0.4
233.04420	0.2
238.94221	0.2
244.07372	0.3
245.04518	0.3
245.08138	0.5
247.09634	0.6
255.06569	0.5
259.02292	0.5
267.02991	0.2
267.11249	0.3
269.04471	0.9
271.05902	0.3
273.03943	1.2
274.04712	0.6
281.04449	0.9
282.05115	0.3
283.02448	0.3
283.06058	0.3
285.04230	0.4
297.03943	1.3
298.04620	0.6
301.03372	0.5
302.04208	6.9
303.04904	0.5
307.12256	0.4
309.04010	0.6
310.04834	0.4
311.05490	1.7
313.03473	1.9
313.06995	0.3
314.04236	0.5
315.05014	0.9
323.05798	0.2
325.03418	1.0
326.04221	4.3
327.04977	7.4
329.02939	0.7
337.03513	0.2
339.05005	3.2
339.09048	0.4
342.03592	0.5
343.04437	1.4
355.08145	0.7
357.09863	0.2
363.08591	0.2
369.09653	0.9
371.11346	2.1
381.09659	2.6
389.13434	0.4
399.10730	100.0
400.11047	2.1
401.21082	0.4
531.14941	3.9
561.15973	7.9
562.16077	0.3
655.16229	0.2
693.19629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05265	0.9
55.05512	15.4
57.03434	15.8
60.04524	1.2
60.58870	0.7
61.02931	4.9
61.89802	0.7
65.03941	1.8
67.05505	27.6
69.03421	6.5
69.07059	10.3
71.04985	6.3
73.02908	1.3
74.47927	0.8
79.05490	27.9
81.03416	82.0
81.07053	32.9
83.04980	21.2
83.08615	30.3
83.09109	1.5
85.02905	34.4
85.06532	2.6
91.03947	0.9
91.05476	38.1
93.07047	22.0
95.04968	35.8
95.08610	12.6
96.05322	0.9
96.08114	0.9
97.02904	8.2
97.06520	4.6
97.10172	4.6
99.04421	1.4
99.08094	1.3
103.05473	0.8
105.07029	29.6
105.07753	1.6
107.04964	11.2
107.08590	8.4
109.02869	1.2
109.06519	7.2
109.10138	4.4
111.04450	3.5
111.08069	13.9
113.05990	3.8
115.05488	1.7
117.07008	1.5
119.04941	0.8
119.08578	25.9
121.06487	2.3
121.10133	12.3
123.08045	3.0
123.11700	2.7
125.09636	1.5
127.03938	1.4
129.07004	15.8
131.08569	15.8
133.06470	3.9
133.10133	14.4
135.11688	1.2
137.09624	1.8
138.09145	2.3
139.07526	1.1
140.19562	0.8
142.07782	3.5
145.10124	2.9
147.08032	4.7
147.11681	18.6
149.09593	6.6
151.11198	1.1
157.10130	20.3
160.02573	0.9
163.11156	1.2
165.12759	4.1
175.11182	20.9
193.12238	66.5
211.13289	100.0
220.09134	0.8
229.00508	0.7
249.14961	1.9
257.04367	1.7
267.15921	39.6
273.14929	0.8
281.84091	0.8
283.09482	1.2
285.16956	95.2
286.04910	1.0
287.05042	1.4
349.21448	1.1
367.22675	2.0
383.11288	0.9
384.11539	4.2
385.23672	3.9
403.24780	1.4
408.30951	1.1
426.32297	2.2
433.25745	1.0
441.26563	1.0
444.33279	5.9
459.27405	22.8
477.28488	23.4
495.29538	74.2
623.78461	0.8
671.37592	0.8
692.37830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
53.63796	2.4
53.69415	2.3
54.00937	2.4
55.01864	3.9
55.05500	9.8
56.72545	2.3
57.03426	5.2
57.07074	5.0
61.02928	45.9
67.05161	5.0
67.05502	54.7
69.03416	7.1
69.07069	13.7
70.26183	5.0
70.26577	6.3
71.04981	3.9
73.02911	15.3
77.37363	2.6
79.05487	49.4
81.03428	5.8
81.07057	52.4
83.04970	4.9
83.08621	6.1
85.02905	49.8
85.06527	8.3
91.03963	37.2
91.05479	75.2
93.07043	55.7
95.04959	5.7
95.08602	41.9
95.75098	2.5
97.02888	20.9
97.06530	6.1
97.10168	3.8
98.21615	2.4
99.04434	3.0
99.08086	9.5
105.07029	64.6
107.04975	3.6
107.08592	33.4
107.20874	2.6
109.06532	3.4
109.10165	25.0
113.09635	2.6
117.07013	26.7
119.08576	64.8
121.06522	3.3
121.10146	39.9
123.11691	7.4
125.09610	4.2
127.03947	18.3
129.07011	16.8
131.08568	30.1
131.19672	2.8
133.10121	52.4
134.38364	2.7
135.11685	22.4
137.09637	3.8
137.13196	2.8
143.08553	16.2
145.04951	23.1
145.10117	24.0
147.11684	34.5
149.09581	8.3
149.13280	16.0
157.10168	19.3
159.11697	28.3
161.09604	4.2
161.13255	65.1
163.06006	34.6
163.11185	10.1
163.14828	13.5
171.11705	31.2
173.13274	26.1
175.11212	10.3
175.14828	43.3
177.12776	5.8
179.14371	3.6
185.13225	22.2
187.14787	3.5
189.12706	6.5
191.14383	3.4
199.14810	12.1
203.14198	3.7
213.16281	6.4
215.17891	5.8
217.15919	3.1
217.19652	3.2
231.17430	6.4
231.21013	16.5
241.19504	77.2
259.20560	100.0
306.82587	2.6
333.24216	7.8
351.18573	2.6
351.25266	49.4
410.69528	3.1
451.57999	2.7
495.29459	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01866	4.8
55.05288	2.0
55.05510	19.7
57.03424	12.0
57.07066	6.1
61.02924	51.2
65.03946	3.1
67.05502	75.3
69.03436	8.3
69.07064	23.5
71.04983	4.2
71.59718	3.3
73.02916	20.2
75.04474	2.8
77.03939	1.9
79.05492	68.9
81.03410	3.8
81.06570	3.9
81.07054	78.5
83.04967	4.8
83.08614	7.6
85.02901	53.3
85.06549	11.4
87.04482	2.1
91.03949	46.5
91.05475	90.7
92.31293	1.8
93.07043	79.2
94.45744	1.6
95.04982	9.0
95.08606	62.2
97.02891	25.8
97.06495	8.5
97.10165	3.5
99.04440	3.4
99.08086	7.1
103.03951	4.0
105.07027	100.0
107.04928	2.0
107.08588	48.5
109.02872	2.1
109.06512	3.5
109.10144	33.2
111.08087	3.1
115.03931	3.1
115.05459	1.9
117.07014	28.5
119.08578	75.7
121.06530	2.7
121.10141	52.2
121.11021	2.8
123.08081	4.7
123.11706	6.6
125.09666	4.7
126.06924	1.6
127.03915	16.5
128.06169	3.0
129.05476	4.7
129.07010	20.3
130.07758	2.8
131.08553	38.8
133.10129	55.1
135.08046	6.6
135.11699	35.6
137.09589	8.2
137.13307	1.8
141.06969	1.9
143.08566	16.7
145.04953	21.4
145.10112	25.7
147.07997	1.9
147.11684	48.8
149.09633	12.9
149.13260	25.2
151.11192	4.1
155.08542	2.4
157.10115	20.8
159.11691	35.7
161.09633	3.9
161.13254	69.2
163.06026	31.8
163.11172	9.7
163.14827	21.4
165.12686	2.4
171.11667	33.2
173.13258	25.9
175.11200	7.8
175.14819	58.3
177.12737	8.3
177.16380	2.4
179.14305	1.9
185.13251	24.2
187.14853	5.0
189.12781	8.8
193.12140	2.0
199.14786	16.8
201.16318	2.4
203.14357	4.8
213.16403	7.2
215.17995	5.3
217.15918	5.2
217.19458	9.5
231.17447	7.0
231.20988	13.5
241.19498	78.4
259.20569	96.5
277.21616	16.5
333.24231	24.6
351.25302	66.9
494.17764	2.0
495.29440	7.1
511.77600	2.1
537.51318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.42030	1.0
55.05528	1.5
57.03430	2.5
61.02921	5.0
63.29658	1.0
67.05511	9.6
69.03430	2.8
69.07061	1.8
71.60229	1.4
73.02914	4.3
79.05489	3.5
81.03416	1.8
81.07059	5.4
83.08607	1.5
85.02898	4.9
91.03967	2.9
91.05487	2.5
93.07058	3.6
93.58316	1.2
95.08600	5.1
97.02906	4.2
101.02374	1.5
105.07084	1.8
107.08600	1.4
109.10158	6.7
112.15205	1.2
119.08611	1.9
131.08553	1.9
135.11681	1.6
145.10103	1.4
173.11665	1.4
194.27988	1.3
215.17538	1.1
243.08429	1.9
413.17902	5.4
519.29303	8.0
534.62738	1.3
599.55670	1.4
691.40253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77568	1.2
55.05513	1.6
57.03439	1.6
61.02926	5.8
67.05499	11.0
69.03405	2.1
69.07069	1.9
71.05017	1.3
71.60915	2.1
73.02908	3.9
79.05495	4.6
81.03407	1.6
81.07051	6.2
85.02901	4.9
90.35397	1.1
91.03964	3.7
91.05486	4.0
93.07059	4.9
95.08614	5.0
97.02907	3.9
99.04431	1.7
101.02377	1.8
101.55698	1.3
105.07011	1.4
107.08598	2.2
109.02839	1.1
109.10150	8.8
119.08607	1.4
121.10188	2.1
127.03944	2.2
131.08592	1.5
133.10124	1.4
157.93069	1.1
173.11765	2.3
243.08382	2.3
250.19727	1.1
340.91455	1.2
346.12122	1.2
379.13477	1.1
413.17938	9.2
417.00223	1.2
441.09067	1.3
517.96454	1.2
519.29376	5.6
529.38660	1.4
593.45563	1.3
624.21381	1.2
691.40265	100.0
692.40778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01867	0.9
57.03434	0.9
58.54837	0.4
59.73054	0.5
63.04323	0.6
69.03431	7.3
73.22281	0.6
73.22707	0.4
79.05492	1.7
81.03419	7.6
85.02911	4.9
86.45686	0.5
91.05473	2.3
95.04975	1.3
97.02884	2.1
99.04459	1.1
103.03928	0.6
105.07011	0.8
107.04955	100.0
109.02872	3.6
111.04459	0.5
115.05468	1.2
117.07027	0.9
119.04944	1.7
121.06498	1.4
121.12815	0.4
123.04427	0.6
127.03906	8.9
128.06252	0.8
129.06999	0.9
131.04919	12.7
131.08566	0.7
133.06477	0.6
135.04445	1.1
137.06007	1.7
141.06982	2.8
144.05705	9.2
145.04897	1.0
145.06494	6.7
147.04410	4.0
149.06004	4.2
151.03922	3.1
153.05486	0.6
157.06451	2.3
159.08069	1.7
161.05992	0.7
165.05534	1.1
169.06459	5.2
169.07596	0.5
171.04422	1.8
171.08090	1.8
173.05980	22.5
179.01781	0.6
179.03334	2.3
185.06017	2.0
187.07556	4.1
189.05470	5.3
195.06540	0.8
197.05975	20.0
198.06767	1.8
199.07489	1.3
201.05409	0.7
203.07091	1.5
204.67816	0.5
207.06416	0.6
211.07654	0.8
213.05516	0.6
213.09242	0.5
215.07027	26.5
217.05019	1.1
219.06505	4.0
223.07513	0.7
225.05476	1.0
225.08966	0.6
231.06561	1.4
233.08055	1.3
237.07533	8.9
237.09631	0.7
239.07008	1.8
243.06514	12.7
243.08913	0.7
257.08084	1.4
259.05951	0.6
261.07559	9.3
275.10760	0.9
279.08698	0.6
281.08173	0.9
285.07455	2.9
292.82367	0.5
297.07645	0.7
303.08539	4.2
305.08401	0.6
321.10843	0.5
323.09268	0.7
327.08380	0.9
329.36682	0.5
331.09592	0.5
341.10370	0.6
345.09967	1.8
349.10776	1.9
363.10596	2.8
367.12021	0.8
369.09885	1.8
373.10938	0.9
377.09973	0.5
383.11447	0.6
387.10721	4.3
395.11044	0.9
397.76505	0.5
405.11850	2.0
415.11880	0.6
457.12836	1.4
461.12125	0.7
475.13751	1.0
475.45261	0.5
492.54865	0.5
503.13177	1.9
521.14429	4.2
539.15173	1.8
691.20032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69112	0.4
56.96565	16.3
57.97573	0.4
69.03423	0.5
69.66518	1.5
69.66946	1.4
70.06579	1.8
71.95282	0.3
72.08157	0.4
84.04497	0.7
84.08133	0.4
84.96031	2.9
85.02891	0.7
98.21469	0.8
98.97583	11.6
102.97039	0.7
110.97565	1.9
116.98615	9.7
120.08092	0.4
120.98039	0.3
128.98598	6.1
129.10286	0.5
130.29124	0.4
131.00128	1.4
134.99669	6.1
140.98546	0.5
143.00122	2.0
144.98074	0.5
146.99644	8.1
147.04356	0.6
149.01215	1.6
153.00768	0.7
155.02016	0.3
158.99701	2.0
159.01202	0.4
161.01219	7.2
161.05951	0.8
162.99121	0.7
163.03918	0.8
165.00702	0.9
169.01776	0.4
170.99680	1.3
177.00716	4.5
177.02179	0.6
179.02263	2.3
182.99661	0.5
187.02780	0.7
189.00734	2.9
191.00148	0.5
195.01736	0.8
195.03261	3.2
201.00740	1.7
203.00246	1.0
207.01781	0.6
209.01204	1.7
211.02737	0.5
213.04337	11.7
219.01749	8.1
221.01248	3.1
221.02997	0.8
231.05438	1.1
237.02812	19.6
239.02255	19.4
239.05815	0.5
242.03278	0.8
255.03827	2.1
257.03333	15.4
260.04266	0.8
261.04391	0.7
263.02200	2.1
265.03629	0.5
275.02197	0.7
279.05463	0.5
281.03232	2.3
299.04678	0.5
305.03412	0.5
307.04773	0.7
317.03302	2.4
323.04248	0.6
335.04626	0.5
347.04510	0.7
365.05426	100.0
366.05627	2.1
367.08783	0.7
383.06491	13.0
406.08041	3.6
691.14661	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	5.2
55.05510	12.2
56.24568	1.5
57.03435	11.7
58.93849	1.5
59.05010	1.9
61.02921	3.9
65.65043	1.5
67.05500	14.3
69.03420	3.2
69.07066	4.8
71.04990	3.8
71.59850	2.3
74.52391	1.4
79.05489	20.1
79.51164	1.3
81.03417	31.6
81.07049	17.7
83.01346	4.0
83.04981	12.1
83.08624	16.9
85.02907	14.2
85.06540	2.3
91.05485	19.4
93.07036	18.6
95.04963	15.5
95.08593	8.7
97.02898	5.2
97.06521	4.1
97.10194	2.3
105.07017	15.4
107.04948	8.7
107.08568	8.7
109.06494	3.9
109.10102	2.2
111.04449	3.1
111.08047	7.8
116.10714	3.0
117.07010	5.2
119.08584	12.6
121.06525	3.2
121.10112	7.4
123.08058	6.3
125.06009	1.8
127.03916	1.8
129.06990	7.3
131.08565	6.9
133.06516	2.5
133.10182	4.5
135.07948	1.5
135.11687	3.9
145.10101	8.6
147.08023	2.8
147.11708	8.1
149.09641	3.9
153.12782	2.4
157.10139	9.1
163.11162	13.8
165.12660	2.0
169.86716	1.5
175.11198	6.9
181.12260	3.1
191.10562	1.8
193.12238	21.9
209.11746	4.4
211.13272	41.0
227.12791	3.4
240.87024	1.5
265.07916	1.4
265.14450	1.5
267.15845	10.9
283.15375	50.4
285.16931	32.3
344.24484	1.5
383.21945	3.2
401.23431	2.3
421.54504	1.6
439.24869	2.1
457.25607	3.7
475.26904	16.0
493.27966	100.0
494.28146	4.3
645.64905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17462	0.7
51.66677	0.6
56.05016	2.0
58.06571	1.4
68.05012	1.2
69.99266	1.2
69.99664	2.2
70.02953	1.0
70.06567	0.9
73.98030	0.7
81.04522	1.3
82.05301	2.2
83.06075	3.0
84.04501	4.3
84.41775	0.7
85.02873	1.0
86.06064	34.7
87.05568	2.4
95.06086	8.9
96.04483	1.0
98.20792	0.7
98.97581	1.1
101.03467	0.8
102.05536	4.9
107.06056	2.8
109.83712	0.7
113.07089	0.9
122.07146	38.4
123.07900	2.4
127.05017	1.9
131.81577	0.8
133.07567	1.3
134.62473	0.7
141.06583	2.2
148.05104	1.1
149.10721	3.1
151.12274	2.3
152.84148	0.9
155.08174	1.1
157.09724	19.7
161.10710	1.0
163.12289	4.9
167.08188	0.9
169.06073	1.7
172.07161	1.2
172.08617	0.8
173.09227	2.5
176.11771	1.0
178.13387	99.1
183.07793	0.7
184.06075	1.9
185.09212	9.0
187.07188	1.7
188.11830	2.1
189.10210	1.8
190.09718	1.2
190.13416	1.6
201.08701	2.1
202.06067	3.3
202.13327	0.9
204.11218	1.4
204.14992	2.9
209.09216	0.9
214.13445	1.1
220.07155	1.1
228.14931	2.3
230.12915	1.0
237.08699	2.6
242.12918	0.9
246.16039	14.4
248.77592	0.7
256.14505	2.3
257.13977	2.2
258.12466	7.7
259.15475	1.3
265.08322	0.7
271.15561	0.7
274.15634	1.1
275.15048	2.5
285.13486	1.1
286.11755	1.3
303.14548	2.0
314.16336	1.1
316.17627	0.8
319.17685	1.6
320.17041	0.8
332.17136	1.3
333.34531	0.8
349.19586	0.8
360.16705	1.1
371.15503	1.2
372.20557	0.8
377.19421	1.1
381.05334	0.8
443.20316	1.7
449.71912	0.7
468.16925	0.9
500.24216	0.8
584.76831	0.8
644.30988	1.0
646.32770	1.5
662.32587	13.7
672.31030	5.1
673.29321	7.1
690.31995	100.0
691.32294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12936	1.5
53.03952	11.3
54.32156	1.7
55.01869	7.9
55.05263	2.6
55.05513	34.6
57.03441	12.7
57.07071	4.6
65.03941	5.4
67.05504	84.2
69.03431	38.3
69.07062	20.6
71.01340	2.2
71.04990	9.5
71.60712	1.8
71.61230	3.0
79.05495	74.5
81.03417	100.0
81.06577	4.2
81.07058	87.4
83.04983	26.2
83.08613	24.3
84.77032	1.7
85.02902	19.4
85.06544	4.9
91.05479	73.0
93.03394	1.8
93.07046	73.6
95.04965	34.1
95.08604	55.8
97.02888	24.5
97.06518	10.6
97.10184	7.8
99.04462	5.7
99.08096	4.3
102.21485	1.9
103.05481	3.3
105.04513	1.8
105.07034	52.7
107.04946	11.0
107.08596	34.6
109.02876	20.0
109.06503	10.0
109.10143	16.3
111.04428	12.8
111.08057	10.8
115.05463	4.6
117.07005	22.1
117.67435	1.9
119.08592	40.0
121.06526	4.6
121.10140	26.3
123.04453	2.4
123.08057	4.0
123.11710	8.0
125.05930	2.1
125.09684	2.1
127.03909	15.1
128.06213	4.6
129.05528	3.3
129.07021	20.5
130.40091	2.2
131.08575	31.8
133.06506	6.5
133.10120	26.0
135.08054	4.3
135.11702	16.9
137.06023	3.3
137.09633	4.1
141.07018	4.7
142.07787	4.4
143.08566	12.5
145.06511	5.0
145.10146	21.3
147.04454	2.7
147.08055	6.8
147.11682	30.5
149.05978	2.8
149.09633	8.9
149.13268	10.5
149.14478	2.0
153.12698	1.9
155.08569	5.8
157.06538	2.8
157.10139	16.5
159.07985	2.9
159.11696	9.9
161.05939	4.3
161.09673	2.7
161.13277	7.6
163.11243	5.5
165.06985	2.6
165.12782	7.3
167.08603	3.5
169.06378	2.4
169.10135	4.8
171.08173	2.9
171.11742	8.2
173.04570	4.3
173.05992	3.4
173.09645	4.5
173.13300	11.6
175.11186	12.5
175.14816	3.3
179.08640	2.2
181.10323	3.0
181.12231	4.2
183.11769	5.5
185.13246	4.4
187.03978	2.5
187.11230	2.3
187.14838	2.5
189.12704	2.7
191.10703	4.1
193.12239	42.4
195.11794	2.3
197.09723	4.1
197.13321	3.1
199.11192	2.5
199.14789	4.5
201.05591	4.9
211.13257	58.8
213.05505	10.1
213.12852	2.8
213.16559	2.4
217.04932	2.7
223.14735	2.3
227.12840	3.5
229.14412	2.9
243.20990	4.2
255.13879	2.8
259.20715	7.2
261.22131	9.1
267.15912	9.4
275.20221	1.8
277.21744	2.9
285.17078	8.3
285.22137	2.1
301.21481	2.9
335.25833	13.5
337.14255	2.4
351.23190	4.6
353.24698	2.1
355.17520	5.8
369.24396	5.9
387.25287	3.7
411.19244	7.6
425.27902	1.8
443.27646	2.7
527.37256	19.1
545.38361	11.3
569.37317	2.9
597.36298	3.3
605.38843	2.8
629.14075	2.0
635.39508	2.8
653.40063	4.0
661.40570	3.5
671.40393	12.4
689.42303	79.8
690.41943	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01871	7.5
55.05510	30.5
57.03446	12.8
57.07082	3.7
65.03933	6.2
67.05501	79.3
69.03430	28.5
69.07063	20.2
71.01334	1.8
71.04994	7.7
73.02903	2.4
79.05490	78.4
81.03416	100.0
81.07053	79.3
83.04977	17.1
83.08616	23.3
85.02898	17.8
85.06533	4.5
87.04453	2.6
90.73824	1.7
91.05476	70.8
93.07040	64.7
95.01312	2.1
95.04965	51.8
95.05549	3.4
95.08607	46.2
97.02891	21.6
97.06528	9.4
97.10181	7.2
98.21567	3.8
99.04459	7.4
103.03895	2.7
105.07026	49.2
107.04971	12.0
107.08585	32.1
109.02867	13.7
109.06533	10.5
109.10156	20.1
111.04433	12.3
111.08093	8.5
115.05471	5.9
117.07018	20.6
119.08575	39.8
119.79539	1.8
120.08910	1.9
121.06542	9.1
121.10138	28.7
123.04441	13.5
123.08090	6.0
123.11703	7.7
125.09635	8.0
127.03914	12.4
128.06224	4.3
129.06995	17.4
130.07819	2.7
131.04919	3.3
131.08554	29.2
132.59555	1.7
133.06506	8.0
133.10124	24.9
135.08046	6.3
135.11702	16.4
137.09601	4.4
141.06973	3.8
142.07753	4.8
143.08566	10.6
145.06503	6.9
145.10107	22.4
147.04405	2.7
147.08055	7.5
147.11678	27.0
147.57481	2.2
149.09624	6.2
149.13280	6.6
151.07539	2.0
153.09137	2.6
153.12779	2.9
155.08585	7.2
157.10107	15.9
159.08063	4.0
159.11668	11.9
161.05930	2.7
161.09660	4.3
161.13298	5.2
163.11174	10.0
165.12776	7.1
167.08447	2.7
169.10152	7.2
171.08109	4.1
171.11713	9.7
173.04512	5.2
173.05991	2.4
173.09628	3.6
173.13205	8.7
175.11157	14.5
177.12807	3.0
181.10150	4.4
181.12305	3.9
183.11737	3.9
185.09662	2.9
185.13268	5.2
187.11174	3.5
187.14819	2.9
189.12758	2.7
191.10771	4.9
193.12253	34.5
195.11746	3.4
197.13275	3.4
199.11275	3.2
199.14871	4.6
205.12259	2.3
207.13849	3.7
211.11295	3.6
211.13274	48.1
213.12868	2.1
213.14810	2.3
217.12297	3.0
219.13734	2.1
223.13199	3.4
227.12726	4.1
230.15163	2.2
235.13246	15.1
241.12021	2.2
243.21155	2.0
245.15532	1.7
249.14819	4.0
259.13251	4.3
259.20462	3.7
261.22205	6.9
267.15872	10.2
273.14899	6.4
277.21637	3.1
285.16992	6.7
287.16699	1.9
291.16010	2.2
301.14331	10.5
301.17947	1.9
301.21475	2.4
309.17081	3.0
319.15515	5.7
319.22827	2.5
335.25787	24.3
337.16534	3.0
341.24768	2.7
351.23096	3.2
355.17432	4.7
369.24152	7.8
375.17944	5.2
387.25549	4.3
393.19211	2.5
405.26328	2.9
411.20248	5.5
443.27924	3.5
461.28500	2.8
527.37384	8.0
545.38348	6.9
569.37952	4.3
597.36945	2.7
611.40167	4.2
635.39148	6.6
653.40424	8.4
670.43793	2.1
671.41608	12.0
689.42334	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.7
55.01865	7.4
55.05511	28.0
57.03436	10.9
57.07070	5.3
59.05008	2.2
65.03939	5.2
67.05505	79.0
68.05822	2.1
69.03426	35.2
69.07066	22.5
69.35666	6.4
69.36089	11.7
71.05000	11.4
71.82993	2.0
73.02920	3.1
79.05491	72.1
81.03415	100.0
81.07056	80.1
82.03762	2.3
83.04974	21.4
83.08614	28.8
85.02913	18.7
85.06558	4.9
87.04530	2.5
91.05476	71.5
93.07043	67.8
93.07622	3.9
95.04969	40.4
95.08601	46.0
97.02888	20.4
97.06548	8.8
97.10187	7.9
98.20759	2.8
99.04471	7.5
99.08124	2.3
105.07030	51.2
106.07368	1.9
107.04963	11.7
107.08588	33.5
109.02880	18.3
109.06538	10.8
109.10148	18.9
111.04460	12.7
111.08077	9.8
113.06012	2.2
115.05463	3.5
117.07004	19.2
119.08571	40.0
121.06515	8.1
121.10137	29.7
123.04478	3.1
123.08059	5.7
123.11700	9.7
125.05976	2.2
125.09647	5.9
127.03876	8.9
129.05537	3.1
129.06998	16.2
131.08582	28.0
133.06505	6.2
133.10139	20.2
135.08080	3.9
135.11696	16.8
137.06009	2.2
137.09634	5.3
137.13332	2.0
141.07103	2.3
142.07803	4.1
143.08569	9.9
145.06496	3.6
145.10104	16.1
147.08090	2.8
147.11693	27.5
149.05981	2.4
149.09653	7.2
149.13213	4.3
155.08548	5.8
157.10129	18.3
159.08086	4.6
159.11690	12.0
161.13292	5.5
163.11237	7.6
165.12790	8.1
167.08569	2.3
169.10190	4.4
171.11720	7.0
173.04555	4.5
173.09602	2.9
173.13301	6.0
175.11211	11.6
175.14880	3.0
181.10071	3.7
181.12238	2.6
183.11763	2.6
183.29248	1.9
184.78302	1.9
185.13274	3.3
187.11163	2.4
187.14850	3.1
191.10661	5.2
193.12234	43.3
193.13838	3.3
195.11800	2.3
197.13281	3.4
199.14915	3.7
211.13281	67.1
212.13687	2.8
213.12907	2.8
227.12825	5.2
229.14334	2.7
261.22198	8.0
267.15976	7.4
273.14899	2.5
285.16885	10.4
301.21747	3.7
313.80234	1.8
317.25024	3.6
335.25854	15.5
351.23431	5.1
355.17542	6.3
369.24307	6.4
387.25378	5.7
405.26492	2.8
411.20288	4.7
435.32986	3.3
448.94150	2.0
453.33798	2.5
461.29099	3.6
527.37561	10.3
545.38519	7.8
625.41302	2.6
653.40479	7.7
671.41577	9.6
689.42499	70.2
690.42871	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	689.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.3
55.05498	10.5
58.56486	7.9
62.36673	6.7
62.37776	8.9
62.54731	6.7
65.19438	7.8
67.05523	6.8
69.03413	19.8
70.20733	32.9
75.16705	8.5
77.86040	6.5
79.05460	13.5
81.03400	30.7
81.07053	23.2
83.04943	9.7
85.02904	12.2
85.51974	7.0
86.09708	7.0
91.05488	18.5
93.07029	24.1
95.04997	10.9
95.08597	22.9
97.02881	27.8
97.06529	13.4
99.04409	8.9
101.43038	7.3
101.43707	7.5
105.07018	32.4
105.42832	7.5
107.08599	20.6
109.02879	100.0
109.06513	14.8
109.10169	7.9
119.08571	46.6
121.06472	14.4
121.10146	22.4
123.08064	21.9
123.11784	8.3
125.09612	90.9
127.03919	73.0
129.07036	9.6
133.10115	46.8
141.34387	8.2
143.08650	10.1
145.10117	11.3
147.04373	14.1
147.08083	39.5
161.05940	8.3
161.09639	23.9
163.03851	16.4
165.05533	8.1
165.09070	38.8
175.07768	7.4
179.10704	21.0
189.05576	22.6
189.09128	18.3
193.05003	14.0
207.10164	29.6
212.16414	8.2
215.07172	7.7
216.39868	7.2
217.04927	58.0
225.11176	49.8
235.06038	34.4
239.09146	12.6
259.09790	12.3
263.08990	12.7
267.12302	28.4
287.09247	19.0
305.10120	8.3
331.19012	15.7
351.14401	9.6
383.77673	7.5
391.21027	15.2
416.44623	8.2
431.09460	14.4
457.22226	11.8
695.70288	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47828	3.4
51.67552	3.1
52.03325	3.3
53.03930	10.7
55.01865	15.1
55.05513	40.7
57.03428	15.1
57.07060	4.1
65.03936	8.0
67.05502	100.0
69.03423	21.7
69.07067	24.0
71.01346	5.3
71.04964	9.1
71.61316	2.9
77.33204	3.3
77.33656	3.7
79.05488	80.9
81.03413	68.6
81.07053	82.6
82.33651	3.7
83.04969	14.2
83.08625	24.0
85.02892	19.3
85.06529	5.4
87.04463	8.9
89.06032	12.3
91.04960	6.0
91.05480	68.4
93.07040	92.3
93.07624	5.5
95.01319	10.1
95.04960	77.8
95.08605	53.9
97.02885	10.5
97.06519	4.7
97.10146	9.6
99.04433	4.8
99.08056	4.2
103.03941	11.1
103.05502	4.2
105.07032	46.4
107.04964	23.3
107.08585	38.4
109.02876	13.4
109.06516	12.8
109.10164	22.8
111.04430	6.1
111.08068	6.4
115.05426	6.3
117.07004	23.5
119.04963	5.5
119.08589	36.9
121.02885	5.6
121.06473	12.3
121.10143	29.8
123.04426	54.3
123.08052	8.4
123.11669	7.3
125.09655	8.9
129.06975	18.5
131.04970	7.0
131.08565	32.9
133.06511	9.5
133.08609	6.6
133.10107	22.3
134.08923	3.2
135.08034	5.7
135.11719	19.4
137.05959	5.1
137.09653	5.0
141.06880	3.9
143.08545	11.5
145.06380	8.2
145.10080	25.6
147.04408	16.2
147.08057	14.0
147.11722	21.3
149.05980	6.0
149.09630	9.4
149.13223	7.4
153.09100	5.2
155.08536	6.2
157.06493	4.3
157.10143	12.4
159.08072	7.4
159.11656	14.1
161.05991	8.4
161.09593	9.6
161.13251	11.4
163.11203	20.5
167.08530	7.1
169.10107	6.9
171.08025	4.5
171.11694	8.9
173.05997	7.3
173.09644	9.8
173.13255	11.5
175.11162	9.6
177.11168	3.6
177.12766	8.1
181.10085	5.7
183.11691	6.4
185.13283	5.8
187.11162	4.5
189.05490	8.1
189.12755	7.4
193.12245	15.4
205.12270	5.8
207.13782	7.0
211.13330	11.1
217.12178	10.4
223.13284	8.6
235.13278	50.0
249.14804	6.7
250.66684	4.4
255.13759	5.2
259.13300	15.7
261.22183	11.7
267.15805	7.8
273.14926	27.3
277.14230	10.1
283.13098	5.4
289.14206	5.4
301.14462	35.2
309.16940	12.1
319.15286	13.6
335.25812	43.6
337.16235	5.9
351.18106	5.8
375.18085	12.1
393.19104	8.2
411.19901	10.0
435.21503	3.8
435.79080	3.6
437.28989	5.3
468.13535	4.3
527.36902	7.0
548.62384	4.4
563.99091	4.5
569.38446	16.6
611.39471	8.9
635.39380	12.7
653.39722	9.7
671.40930	8.5
689.42328	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	687.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
58.19280	0.9
67.05502	4.3
67.93762	0.9
69.07063	1.3
69.57199	8.7
74.34676	0.9
75.15121	1.0
79.05488	2.8
81.07069	3.2
93.07050	1.8
93.53795	1.0
93.60492	1.1
95.08621	1.7
95.18930	1.0
107.08608	1.2
109.10126	1.8
179.66324	1.0
189.66713	1.2
210.70848	1.2
241.38179	1.1
257.31735	1.0
260.22284	1.2
319.22580	1.2
335.22003	4.4
376.55496	1.4
391.24719	3.3
465.66458	1.3
687.48016	100.0
688.49420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78060	0.8
53.03930	0.8
54.33982	0.7
55.01865	1.0
56.96548	0.9
61.02904	0.6
67.05500	1.0
69.03442	3.4
70.06567	2.3
70.72249	1.9
71.04961	0.7
71.77747	0.7
74.97820	0.7
79.05481	2.0
80.05011	1.2
81.03400	2.0
82.06565	2.4
84.08149	0.8
85.02892	6.6
86.09703	0.8
87.28888	0.6
91.05472	2.1
93.07068	4.0
94.06561	5.9
95.04945	1.2
95.07367	4.1
95.08562	0.7
96.08132	13.8
97.02874	2.4
97.06515	1.6
103.05463	1.0
105.79097	0.7
106.06546	1.9
107.04945	2.2
107.07340	1.1
108.04475	2.8
108.08115	9.9
109.08904	0.7
110.06029	1.1
110.09676	19.2
116.04980	1.9
120.08103	15.5
121.06478	0.9
122.06034	4.3
122.09676	2.5
124.07586	22.1
127.03922	1.7
131.94923	0.7
136.07559	9.6
137.08295	1.5
138.05527	0.8
138.09134	29.3
143.08546	0.8
144.04480	3.8
145.05032	0.7
146.06010	6.1
147.04355	0.7
148.07539	6.8
150.05467	0.8
150.09105	4.9
152.07072	4.4
154.08630	1.1
160.03949	3.9
162.05498	1.7
166.08630	59.2
168.06552	3.6
172.03925	17.9
174.05501	3.5
178.04915	0.8
183.09317	0.6
189.82977	0.7
190.04982	30.1
199.08699	1.8
204.06538	17.2
206.08080	3.8
211.08598	4.9
212.09380	1.3
213.06659	1.0
213.10272	2.7
223.12366	1.4
225.10246	4.5
227.08206	1.2
227.11813	2.3
229.09779	1.3
236.09355	1.2
237.10193	1.0
239.11812	4.8
240.08954	1.7
241.09885	2.0
241.13161	1.2
242.10492	0.9
245.12839	4.7
245.15036	1.1
251.11761	2.3
252.08885	2.0
253.09695	4.1
254.10397	1.5
255.11256	7.5
264.08859	0.8
267.11255	7.9
268.12015	1.2
269.12900	1.0
273.08945	0.7
273.12332	1.4
278.10733	0.7
279.11304	4.6
281.09207	2.1
283.10788	5.2
285.12320	5.7
285.16992	0.8
287.10104	3.4
295.10733	6.0
297.12320	10.8
299.10324	4.4
301.11829	10.1
307.10788	2.5
311.10309	1.8
313.11832	22.2
323.10269	11.1
325.11816	35.4
329.11304	24.9
341.11288	14.6
342.20313	1.0
343.12851	12.4
357.14511	1.9
361.13916	44.9
362.14493	0.8
373.13947	10.8
434.17474	0.7
448.18692	2.4
450.20413	1.8
452.18234	3.2
466.19528	3.0
476.18137	9.7
487.17273	2.0
494.19199	100.0
495.19443	1.4
508.20932	13.0
512.20380	2.9
526.21820	35.6
638.22815	1.1
656.24011	1.0
670.25934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01862	2.8
55.05509	5.9
55.86481	0.8
57.02467	0.9
57.03424	2.2
57.07051	2.2
57.38612	1.0
61.02915	2.6
65.03943	1.6
67.05502	8.0
68.99781	2.1
69.03434	14.6
69.07062	11.0
71.04995	2.7
71.60067	1.3
73.02905	2.3
74.90805	0.8
79.05489	4.7
81.02982	1.1
81.03420	15.3
81.07059	17.8
83.08618	6.5
83.48236	0.9
84.08137	1.4
85.02422	1.6
85.02908	21.9
85.03415	1.4
86.23687	0.8
87.00832	11.5
87.89207	0.8
90.14199	0.9
91.03947	1.1
91.05480	10.9
92.05803	1.1
92.60248	0.9
93.07040	17.0
95.04973	2.0
95.08604	34.7
97.02898	12.5
97.10156	4.2
99.04465	5.5
99.94738	0.8
105.01860	8.4
105.07031	14.8
107.08594	26.2
108.32838	0.9
109.02882	15.5
109.06493	1.7
109.10155	24.6
111.04414	2.0
115.03929	2.0
117.01846	1.8
117.06947	1.4
119.04959	5.9
119.08583	27.7
120.05283	1.7
121.06470	1.1
121.10145	23.6
123.11710	8.3
125.09623	1.8
127.03915	21.5
129.01855	2.0
131.08592	4.5
133.10130	29.8
135.11687	19.0
137.05977	4.3
137.13231	3.5
139.07536	1.4
143.08548	1.5
143.31123	1.1
145.04927	6.8
145.10121	6.8
147.02771	1.0
147.03127	1.3
147.04402	23.5
147.11682	26.3
148.04765	6.5
149.13245	12.3
153.09093	4.5
157.10121	2.1
159.02892	7.0
159.11697	5.5
161.05901	1.0
161.13249	15.1
163.14832	9.1
165.09070	1.8
167.10698	4.6
169.10136	0.9
171.11760	2.2
173.13232	2.9
175.14832	9.0
177.16402	7.5
179.10709	1.1
183.11664	2.0
185.13260	2.1
187.14848	7.1
189.16385	33.4
191.17944	81.0
193.12234	1.9
193.15938	0.8
199.14757	1.9
201.16367	12.4
203.17950	100.0
204.10272	1.8
205.19524	9.7
207.17371	1.3
211.14871	1.2
213.03912	2.2
213.16394	2.7
215.17926	5.6
217.19469	6.2
219.04848	1.1
221.15344	1.2
221.19035	4.7
225.16312	1.2
227.17958	1.6
229.19460	2.5
231.05025	4.1
231.17482	2.6
231.21049	2.2
233.18933	1.3
235.16925	2.9
241.19574	1.9
243.21033	1.2
247.16891	3.9
249.18494	28.1
255.21001	1.0
257.22815	1.0
261.18414	1.0
283.24139	1.2
294.38919	0.9
301.21451	1.2
343.26315	1.0
350.20767	0.9
355.25995	1.3
391.33200	1.4
393.35126	6.3
421.22073	1.9
437.21628	1.1
437.34033	1.5
439.23120	4.2
439.35791	19.2
451.35205	1.0
463.35721	1.2
641.41064	1.6
651.38245	1.0
669.39142	1.3
687.41614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	13.3
71.46239	13.8
81.03420	9.1
81.07051	8.5
85.02917	50.3
93.07017	8.3
97.02903	22.3
97.14614	7.1
98.97566	9.0
105.07028	14.9
117.06998	10.7
127.03931	10.0
128.06247	10.6
129.07008	23.2
131.08549	21.2
142.07858	8.9
143.08557	43.8
145.04909	12.7
145.10133	20.2
156.09286	13.1
168.72084	8.4
171.11699	100.0
177.00706	11.5
181.10144	19.1
199.11203	47.6
217.12198	77.0
219.01759	11.0
220.84047	7.6
227.10600	10.7
245.11732	27.3
263.06039	25.6
263.12680	10.7
268.16299	8.8
272.06390	8.9
346.64459	8.7
394.12128	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99793	1.0
53.03944	1.6
55.01854	1.2
55.05302	1.1
55.05511	12.7
56.28733	0.8
57.03435	13.9
57.07087	1.9
58.82721	1.0
59.04986	3.1
60.02112	0.9
61.02931	5.9
64.75980	1.0
65.03925	2.7
66.01467	0.9
67.05503	100.0
69.03415	2.3
69.07061	9.4
71.04984	3.3
71.61163	1.5
73.02934	1.5
79.05492	22.6
81.03445	1.1
81.07053	39.7
82.07373	0.9
83.04966	1.7
83.08613	10.8
85.02903	5.0
85.06527	3.1
91.03974	1.6
91.05482	16.8
93.06470	1.8
93.07035	26.1
95.04967	3.2
95.08601	27.1
97.02888	1.3
97.06547	1.6
97.10163	2.1
99.08085	1.9
105.07024	7.6
107.08581	16.2
109.06542	1.7
109.10152	79.1
111.08018	2.5
117.07008	3.9
119.08566	10.6
121.10131	12.5
123.11697	5.3
125.09612	2.0
131.08554	5.0
133.10132	6.1
135.11700	7.4
137.09627	3.9
145.10114	3.8
147.11661	3.8
149.13271	5.7
151.14774	1.2
155.10690	2.9
159.11682	3.6
161.13228	3.4
163.14825	2.5
173.11755	23.8
173.13281	3.2
177.38397	1.1
187.14847	1.9
201.16493	1.2
220.20715	1.0
223.31868	1.0
227.12762	3.3
229.14337	82.9
230.14565	1.8
233.22656	1.1
243.21046	5.4
261.22134	17.4
279.22989	1.2
283.11188	1.3
317.24738	3.9
335.25787	77.5
336.26184	1.4
400.82153	1.0
415.32001	1.1
433.84946	1.2
489.35730	59.1
490.35941	2.8
507.36914	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01877	1.1
55.05510	9.4
57.03437	11.0
57.07064	2.2
59.04996	3.6
61.02922	4.5
65.03937	2.2
67.05506	94.6
69.03414	1.1
69.07068	8.3
71.04988	3.2
73.02946	0.9
79.05492	19.1
81.07061	36.0
83.04958	0.8
83.08627	6.8
85.02910	4.0
85.06540	2.7
91.03969	1.9
91.05479	14.3
91.33867	1.0
93.07044	22.7
95.04967	2.0
95.08606	22.9
97.02898	1.9
97.06506	2.0
97.10184	1.6
99.08057	1.2
102.51088	0.9
105.07038	7.0
107.08592	13.7
109.06544	0.9
109.10159	80.0
110.10489	1.1
111.08082	3.7
116.42007	0.9
117.07002	2.9
118.09332	0.9
119.07798	1.0
119.08592	9.3
121.10152	11.2
123.11705	3.3
125.09596	1.3
127.03863	1.0
131.08589	5.3
133.10112	4.1
135.11707	7.1
137.09613	2.6
137.13260	1.2
145.10115	3.9
147.11665	3.6
149.13278	5.6
155.10677	3.5
159.11703	2.9
161.13274	2.0
163.14772	1.8
173.11774	25.6
173.13251	3.7
175.14854	1.0
177.16316	1.0
187.14799	1.1
189.11201	0.9
227.12828	5.2
229.14354	100.0
230.14659	1.9
243.21085	4.5
261.22180	16.8
317.24738	3.5
335.25812	66.6
336.26230	2.0
379.29691	1.1
397.31186	1.2
415.32129	1.7
489.35760	37.0
490.36047	1.8
507.36679	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40366	1.0
55.05500	1.8
56.96560	1.1
65.63033	1.2
70.06594	23.4
71.59703	1.4
72.08150	19.2
75.01880	1.3
77.35339	1.2
81.07055	1.9
86.09705	76.6
87.38222	1.3
91.05478	1.4
98.06051	53.9
98.09686	4.3
103.05477	1.3
105.07053	2.4
112.11260	3.0
115.08687	6.4
120.08103	100.0
132.08177	1.4
140.14351	5.0
146.09665	2.7
147.04428	1.6
157.13351	18.7
165.10196	7.4
169.13367	3.5
185.12880	12.9
185.16467	11.6
188.14313	4.8
191.11836	2.6
196.14561	1.4
211.18137	5.0
213.15967	13.6
214.15494	16.3
217.13409	2.4
225.19681	2.8
233.16469	12.7
237.62019	1.1
239.17525	4.1
242.15019	11.3
253.19052	1.9
253.22868	1.3
261.16025	3.9
261.53857	1.3
262.15482	1.8
284.19632	10.2
287.17368	1.5
290.14981	24.0
298.21313	2.8
316.20425	1.6
332.19711	3.5
344.19632	2.4
355.23386	2.7
358.21338	3.4
361.18655	1.5
369.28455	4.2
389.21680	3.5
397.28110	5.1
403.23270	6.2
417.28729	1.5
426.26910	2.9
431.26392	3.6
445.28204	2.2
457.27734	3.0
460.25629	1.3
474.27310	4.6
499.32446	2.2
502.30389	3.5
511.36057	2.0
516.35394	1.7
528.31696	5.2
539.35620	2.9
542.34247	1.3
544.35010	3.5
545.34186	5.7
570.36011	1.9
573.33887	11.3
587.35339	4.0
613.39709	1.4
641.40198	6.2
658.42938	12.1
668.41663	1.8
686.42572	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	684.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05502	1.9
56.96569	0.6
67.05492	1.4
69.03430	3.2
69.07037	1.0
70.06573	1.3
70.85462	1.9
79.05492	3.8
81.07043	6.9
84.08127	2.7
85.02889	3.1
86.09695	3.0
91.05463	6.6
93.07057	3.6
95.04942	1.3
95.08597	1.7
97.02865	0.8
97.06528	4.3
98.09661	0.8
105.07033	11.8
107.04936	1.3
107.08566	1.6
109.06470	0.7
111.98820	0.6
115.05408	3.3
117.07003	8.3
119.04942	1.8
119.08593	3.5
120.08085	1.3
121.06448	0.9
128.06244	5.2
129.07010	15.8
129.10231	0.9
130.07796	1.7
131.08568	9.8
133.06461	1.2
135.04396	1.2
137.05992	1.1
141.06970	2.8
142.07762	3.5
143.08557	35.6
145.06561	1.3
145.10112	19.1
147.08055	2.6
147.11696	1.2
149.05971	0.9
153.07025	1.3
154.07785	2.8
155.08519	3.2
156.09329	9.3
157.06459	3.7
157.10146	4.2
159.08023	1.0
159.11716	0.8
161.05956	4.0
161.09630	1.8
163.03941	0.8
165.07036	2.0
166.07849	4.2
167.08586	1.1
169.06506	1.2
169.10110	6.9
171.08034	2.9
171.11682	85.2
172.12245	1.0
173.09622	1.0
173.13252	6.1
175.07574	3.8
179.08470	1.3
181.10120	13.6
182.07272	2.2
183.08011	1.2
183.11584	1.1
184.08870	1.6
185.06015	2.3
185.12985	0.6
189.09099	1.5
189.12764	2.9
197.09604	11.1
199.11174	38.6
201.09122	1.6
201.12776	0.9
203.07065	4.1
209.09660	2.4
215.07013	2.1
215.10646	0.9
217.12227	100.0
219.13461	0.8
225.09102	27.3
227.10603	9.5
229.07506	0.8
237.09081	5.6
243.10162	66.2
245.11723	40.0
245.14317	1.2
245.73047	0.7
255.10272	1.5
259.09570	4.4
263.12759	11.8
395.19977	1.3
413.20969	2.5
423.19519	1.5
441.20517	4.0
459.21423	1.3
469.19949	6.2
487.21301	5.4
505.22223	4.0
555.28052	0.8
652.60889	0.7
684.32709	1.2
684.44006	1.5
706.96454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
56.96554	0.9
57.03413	0.7
58.99854	2.1
59.57172	0.7
67.05498	2.5
67.30441	0.8
69.07053	2.1
71.00081	2.0
77.00906	11.6
79.05489	2.2
81.03402	0.9
81.07047	2.7
83.08614	2.0
85.02887	1.0
91.05464	0.8
91.19669	0.8
93.07058	1.5
94.05220	0.7
95.01948	9.1
95.04976	0.8
95.08585	1.2
96.98543	0.7
97.06517	4.2
105.07001	2.1
107.08536	1.4
109.06446	0.8
109.10143	1.1
119.08563	1.6
123.08087	1.1
123.11707	0.8
128.06221	0.9
129.07019	1.0
131.08572	1.1
143.08595	1.2
145.10127	1.7
157.10181	1.5
159.05116	1.1
161.06557	0.7
163.03894	3.0
171.11716	4.1
173.06543	1.4
173.13417	1.1
178.68492	0.8
185.06396	0.8
187.08139	3.4
191.09158	0.8
197.10225	4.4
199.07957	1.0
199.11072	1.6
201.09698	3.5
203.09308	0.9
203.11140	1.0
205.09184	2.8
209.10214	1.8
213.09720	3.1
215.07021	1.8
215.11292	32.5
217.12381	4.9
219.10718	3.5
221.10245	1.4
221.15346	1.0
223.11794	2.4
225.09549	1.3
225.13359	4.6
227.11256	6.5
229.12723	0.9
231.10739	4.2
233.10168	0.9
233.12320	13.8
235.11722	4.6
237.09283	1.1
237.13313	1.0
238.12877	1.1
239.11269	3.7
241.12836	6.7
243.10185	2.7
243.14424	33.9
244.14319	0.7
245.11951	3.8
248.14929	0.8
251.11136	0.9
253.12842	39.1
255.14313	1.5
257.12344	3.5
259.09634	5.7
259.13962	1.5
261.15533	11.2
263.12973	0.8
265.13022	1.3
266.15927	2.3
268.60419	0.8
271.13904	48.2
272.14148	1.0
276.14468	3.9
283.13739	1.1
293.19534	0.9
294.15457	2.0
305.19501	1.0
312.73959	0.8
317.19604	11.8
335.20639	53.4
336.21051	0.8
353.21701	78.1
354.21967	1.8
358.22156	4.7
369.19553	1.4
371.22775	100.0
372.22986	1.3
376.23380	4.6
385.24252	1.1
387.20300	1.0
394.24356	14.1
441.20297	1.2
461.88925	0.8
565.35638	3.1
647.43420	2.1
665.44891	3.8
683.33014	3.1
683.45721	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	683.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01855	1.7
55.56779	0.5
57.03421	1.4
61.02901	0.6
63.68798	0.4
64.50166	0.5
65.03944	4.6
67.05481	1.4
68.99782	0.6
69.03424	10.6
70.06564	0.9
71.12280	0.6
71.12604	0.5
78.04696	0.6
79.05062	0.6
79.05489	7.6
81.03413	7.7
81.07053	1.1
82.04186	1.4
85.02901	10.1
86.09712	0.7
87.00813	2.2
91.05475	3.1
93.03371	1.3
94.04176	0.5
95.04974	3.7
97.02903	3.0
97.06526	1.5
99.04446	1.6
103.05437	1.2
105.01849	1.7
105.04543	0.6
105.07019	1.8
106.04178	0.6
107.04948	18.4
108.02090	0.5
109.02874	4.0
109.06532	0.6
110.03680	2.5
111.04424	1.3
115.05445	4.1
116.06234	0.8
117.07011	5.1
119.08565	0.6
120.08149	0.6
121.06487	0.5
122.03573	0.5
123.04446	3.0
124.05192	3.9
125.05981	3.3
125.76115	0.4
127.00070	0.5
127.03907	14.9
128.06213	0.7
129.01865	0.6
129.06976	3.4
130.04124	0.5
131.04918	2.0
131.08585	2.5
132.05679	0.6
133.06479	2.2
137.05936	1.6
138.03122	1.7
140.04688	0.8
141.07028	2.4
142.02539	2.3
143.04942	1.4
144.05707	4.1
145.04984	1.4
145.06474	11.1
147.04384	0.8
147.08015	1.3
149.05980	0.7
151.03967	0.6
151.07538	0.7
152.04700	2.8
153.05458	1.5
155.04861	1.3
155.06023	1.2
155.07025	1.8
156.05696	1.0
157.06454	4.7
159.02922	1.0
159.04390	0.5
159.08051	5.1
160.05180	1.1
161.05984	5.0
165.05566	0.5
166.02632	0.8
167.07028	71.3
171.04326	0.5
171.06529	5.8
172.05176	8.8
173.05986	8.9
174.06691	0.9
175.07500	3.3
176.08258	0.7
177.05446	1.1
177.09111	0.8
179.06934	1.0
181.04944	88.2
182.05280	0.7
183.04355	0.5
183.06534	1.2
184.05167	0.6
185.05984	1.3
187.04060	0.7
187.07509	8.3
189.05432	3.1
189.06918	0.6
189.09114	0.6
190.06247	2.3
191.06978	2.3
191.10683	1.9
193.04942	0.9
193.08566	0.9
195.06549	5.4
200.04681	4.5
201.05461	7.0
202.06198	0.8
203.06984	1.8
204.07776	0.9
205.08580	5.9
206.05769	2.5
207.06436	1.2
207.10165	1.6
211.06068	0.7
213.05522	1.0
215.06891	0.8
217.08643	3.3
218.05725	10.2
218.09230	1.0
219.06401	2.8
219.08281	1.0
219.10039	3.6
220.07137	0.6
221.06017	0.5
221.07980	5.6
225.07764	0.7
230.05786	0.6
231.06552	0.8
233.08069	77.6
234.08629	1.2
235.07503	1.0
235.09711	3.8
236.08305	0.5
237.09135	0.5
245.08075	3.4
246.06828	0.5
247.07495	1.4
249.09114	0.7
251.09044	4.1
253.08476	0.7
262.06302	0.6
263.09152	29.9
264.07791	1.6
265.08496	1.1
276.07828	0.8
277.04657	0.4
277.08453	1.1
279.06723	0.6
279.10150	1.8
280.07214	1.1
281.07581	0.6
281.10373	4.2
292.07346	1.0
293.07944	0.9
295.09714	2.0
305.07849	0.7
307.09528	2.4
308.10275	0.8
309.07602	1.1
319.11823	0.7
320.06808	0.8
323.09210	1.8
324.09995	1.3
325.10672	0.9
327.12180	1.1
329.10574	0.6
331.08145	1.4
332.12695	0.5
335.09210	1.6
337.07135	0.9
337.10791	0.9
339.08600	0.7
339.12259	1.8
344.12503	1.4
346.10309	0.7
349.10580	0.8
351.08679	0.7
352.09586	0.6
353.10114	1.2
355.11850	2.9
356.12701	0.8
357.09454	0.6
357.13379	1.3
366.10983	1.1
367.11789	5.4
368.12753	1.0
369.09393	1.1
369.13547	0.8
371.10794	0.6
371.14899	2.0
372.12106	1.6
373.12909	1.0
381.13385	3.3
384.12079	1.7
387.14346	12.8
387.19138	0.9
399.14331	17.1
402.13138	0.6
405.15335	2.0
417.15408	100.0
418.15900	2.8
435.16360	3.7
665.20587	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	682.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	31.8
56.96551	1.2
58.06594	1.8
61.01151	19.4
66.05338	0.8
70.06585	2.0
71.59719	0.8
71.60125	1.4
73.76477	0.6
74.06077	15.7
81.03430	1.1
81.07053	1.7
84.04501	59.1
84.08125	1.0
85.02907	3.7
86.09701	9.0
91.05496	2.5
93.07027	1.9
95.08588	1.0
97.02837	0.8
98.06048	21.4
101.07132	3.6
102.05538	80.7
103.05437	5.6
104.05325	59.4
105.07032	1.8
107.04951	2.1
109.10187	0.9
112.03979	2.1
112.07581	1.3
118.06533	1.1
119.07304	1.2
120.08101	100.0
122.06026	3.2
127.04004	1.1
130.05017	1.9
131.04958	0.8
132.10219	2.4
137.05972	2.3
139.08676	2.2
140.07057	6.5
141.06557	0.9
145.02876	1.0
145.10141	0.9
146.06339	44.3
146.09637	1.9
147.04507	1.1
150.05521	6.8
158.08116	2.8
158.09663	5.3
160.11292	1.5
167.08156	17.5
168.06593	2.7
174.05844	39.3
176.10725	3.4
177.10222	1.6
185.09190	11.9
186.09134	2.2
195.06197	0.6
195.07651	23.5
203.10257	7.0
203.11807	1.7
205.04698	7.2
206.05078	3.1
213.08685	26.6
221.12837	18.5
231.09691	3.8
231.11621	2.1
238.71614	0.9
249.12340	12.0
279.17026	14.1
285.09103	1.2
286.15408	0.9
292.19034	2.5
303.10080	29.8
314.15103	3.3
332.15985	1.8
342.14575	2.3
358.14374	2.5
360.12097	2.8
360.15732	2.3
368.13074	1.1
376.15463	5.9
380.21835	3.1
386.13785	79.2
387.14386	1.5
404.14850	26.4
432.08688	1.0
447.12817	0.9
457.13931	1.2
473.23929	1.6
491.24884	1.4
505.21075	4.8
533.20679	13.6
622.21844	1.5
664.29480	1.9
682.21759	4.8
682.38837	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	681.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11317	0.5
56.96568	13.3
65.59599	0.6
70.20943	3.0
71.95255	1.0
87.29436	0.7
97.06499	0.8
98.44536	0.6
109.20940	0.7
113.03873	0.7
163.83311	0.6
169.05606	0.6
174.77254	0.6
179.84721	0.6
193.24353	0.7
215.60373	0.7
223.10136	2.7
235.10117	2.6
241.11107	25.2
253.11101	48.3
254.11716	0.8
259.12180	37.8
263.07980	0.6
264.12793	1.9
269.10672	0.8
271.12164	100.0
272.12494	1.4
276.12701	1.4
276.25214	0.7
282.13770	1.9
289.13199	6.0
294.13708	6.1
335.53290	0.7
388.26559	0.8
467.26822	72.0
468.26996	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26394	0.3
55.05512	0.6
56.96559	2.3
58.99850	1.4
59.52831	0.3
63.78653	0.5
67.05499	0.6
69.07066	1.0
70.06588	0.4
71.40815	0.7
77.00904	7.0
78.99142	0.4
79.05470	1.0
81.07039	3.3
81.83092	0.3
83.08576	0.6
84.96018	0.9
89.05909	0.3
91.05474	0.6
93.07061	0.4
95.01939	5.6
96.42894	0.3
97.02870	0.4
98.97565	1.3
100.02473	0.6
105.07012	0.9
107.04930	1.6
107.08591	0.6
109.06485	0.9
109.25251	0.3
116.98636	1.2
119.08540	0.4
121.10099	0.6
128.06235	0.6
129.06963	0.4
131.01889	1.0
131.08496	0.6
133.03459	0.4
134.99654	0.4
143.00137	0.5
143.08559	2.2
145.03398	0.4
149.02965	0.4
155.05571	0.4
155.08508	0.5
157.03487	0.4
157.10129	1.4
159.05058	0.4
159.11711	0.6
161.06627	0.6
171.05011	0.7
173.06569	1.1
177.00739	0.6
179.09222	0.5
181.01735	0.6
183.08629	0.6
183.11617	0.4
185.06572	5.7
185.13271	1.3
187.08147	1.1
190.95268	0.5
191.07639	0.4
193.10031	0.4
194.04280	0.4
195.08754	0.6
197.10190	2.2
197.75052	0.4
199.02805	0.4
199.08144	0.6
201.09660	3.0
203.07629	2.1
203.09290	0.5
205.09174	0.8
207.04996	1.2
207.08618	0.5
209.10202	0.8
213.09700	1.3
214.95273	0.7
215.11267	20.5
217.10751	1.0
217.12665	0.6
219.10738	2.4
221.06641	1.1
221.10349	0.5
223.02756	0.6
223.08272	0.5
223.11809	1.7
225.09703	1.1
225.13341	2.0
227.02106	0.6
227.11322	4.5
229.12700	0.5
231.10747	1.1
233.10248	0.4
233.12325	7.4
235.11763	4.0
237.02760	0.5
237.09642	0.5
237.13351	0.7
238.12843	1.0
239.11292	4.3
241.12802	4.7
243.10710	0.6
243.14413	14.7
245.03319	1.3
245.10147	0.4
245.12358	1.4
251.02202	0.9
251.11214	0.7
253.12846	26.7
255.14345	1.1
257.08365	0.4
257.12329	6.4
259.13879	0.8
261.15466	5.0
263.11279	2.6
264.12167	2.5
265.12677	0.7
267.14389	0.4
269.03397	0.7
269.12469	0.7
271.13895	32.3
273.16946	0.4
274.97342	0.6
276.14429	1.6
279.17969	0.4
281.12357	6.5
282.13138	1.9
283.13913	0.6
291.14722	0.7
291.18018	1.3
294.15363	1.8
299.13382	1.7
304.14136	0.5
306.97995	0.4
309.15704	0.5
309.19156	1.5
313.16516	0.6
315.17996	7.4
333.19086	31.1
351.20139	100.0
352.20361	1.0
353.05215	0.6
356.20676	1.7
367.18112	0.6
369.21219	31.0
374.21646	1.1
392.22809	8.1
393.23175	0.5
433.01370	0.6
444.70142	0.5
451.02255	3.5
469.03479	0.7
563.34265	0.6
599.18054	0.5
651.14063	0.6
661.40637	1.1
679.13617	0.7
679.42822	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	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39309	1.8
55.01871	2.6
55.05511	27.0
57.03425	6.9
57.07072	15.6
61.02924	17.9
64.26311	2.1
67.05504	86.0
69.03424	5.2
69.07066	25.4
69.79327	13.4
71.04979	4.1
71.08627	5.9
73.02915	8.3
79.05482	27.9
81.07057	100.0
83.04974	3.2
83.08626	26.7
85.02904	22.0
85.06536	3.8
85.10177	5.7
91.03522	1.8
91.03962	17.5
91.05479	29.7
93.07037	34.7
95.04967	4.1
95.08602	85.0
97.02868	10.6
97.06519	8.3
97.10172	15.1
100.11275	2.7
105.07027	19.2
107.08585	25.4
109.06526	3.4
109.10152	48.2
111.08093	3.1
111.11699	3.1
113.09621	2.5
119.08592	18.9
121.10136	30.7
123.08086	4.1
123.11725	24.0
123.26478	2.1
125.09612	5.0
127.03902	6.9
133.10127	21.0
135.11661	16.1
137.09590	3.5
137.13245	9.7
139.11172	4.4
141.12712	3.7
143.08534	2.5
145.04953	7.9
145.10089	3.3
147.11696	10.6
149.13232	13.1
151.14795	5.4
155.14307	5.3
161.13257	15.6
163.06015	14.4
163.14870	11.8
165.12721	2.4
165.16379	11.4
175.14806	13.1
177.16350	3.9
179.17949	10.0
179.19363	2.8
181.15804	2.7
189.16377	6.7
217.19505	2.9
221.15355	4.8
221.18857	2.4
245.22641	64.9
263.23700	92.4
337.27383	66.3
338.27838	2.7
355.28448	7.2
411.17572	2.5
499.32608	5.4
679.16193	2.3
679.36932	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	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01861	1.9
55.05510	12.4
56.06735	0.9
57.03442	5.9
57.07064	3.5
60.04523	1.7
61.02926	22.8
64.83286	1.3
65.03940	1.8
67.05505	65.5
69.03422	3.7
69.07070	12.2
69.38436	6.4
69.38860	3.3
71.04993	1.8
71.08620	1.4
73.02920	9.6
75.04454	1.4
77.18842	0.9
79.05492	43.9
81.03403	1.8
81.07055	74.6
83.04965	1.9
83.08626	6.8
85.02908	27.7
85.06518	2.8
91.03954	26.4
91.04890	1.3
91.05476	25.1
93.07043	56.0
95.04955	5.2
95.08604	61.6
97.02888	12.5
97.06529	3.8
97.10159	4.5
99.04448	1.5
99.08101	1.9
100.11245	6.2
105.07020	17.7
107.08594	36.8
109.02876	1.1
109.06499	3.0
109.10154	35.3
111.08118	1.8
113.09652	1.8
115.03917	1.9
117.07023	10.0
119.08580	19.1
121.10146	36.4
123.08066	2.1
123.11700	16.0
125.09633	1.8
127.03893	8.1
127.11118	1.1
129.07011	2.0
131.08565	22.3
133.10123	16.5
135.08096	1.3
135.11682	30.3
137.09573	1.7
137.13258	6.1
139.11156	1.9
145.04947	11.6
145.10132	17.0
147.11684	11.4
147.79622	1.0
149.09630	1.6
149.13258	25.1
151.11209	1.5
151.14812	2.0
153.12711	1.8
159.08133	1.1
159.11682	14.8
161.13243	13.6
163.06017	17.1
163.11194	1.7
163.14810	16.4
165.12733	3.3
171.10236	1.0
173.11815	0.8
173.13249	19.7
175.14832	4.4
177.12831	1.6
177.16356	6.6
179.14307	2.9
187.14847	8.1
191.14278	1.3
201.16380	2.7
205.15898	1.5
215.17943	2.2
233.22650	4.2
243.21077	35.6
261.22137	100.0
263.23859	2.0
279.23145	3.1
321.18616	1.3
335.25751	16.4
353.26862	28.3
497.30920	1.7
677.35913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
53.28212	1.7
55.05505	13.7
56.73747	1.6
57.03434	7.3
57.07072	3.5
61.02924	18.0
65.03928	2.3
67.05505	84.1
69.03423	3.2
69.07076	14.8
70.26804	1.4
71.04973	1.5
73.02913	6.6
79.05494	49.2
81.03436	2.4
81.07055	95.6
83.04990	3.3
83.08624	10.8
85.02902	21.3
85.06535	3.4
91.03946	18.2
91.05477	22.1
93.07043	61.1
95.04975	6.1
95.08606	73.0
97.02869	8.1
97.06561	2.7
97.10162	2.9
99.04436	1.8
99.08101	2.7
105.07029	21.3
107.08592	41.6
107.09293	3.2
109.06483	1.6
109.10154	40.6
113.09657	2.3
117.07030	11.0
119.08566	16.0
121.10139	36.4
123.08102	2.3
123.11707	20.3
127.03939	4.6
131.08557	23.8
133.10139	16.4
135.11682	32.0
137.09578	2.5
137.13239	7.9
139.11221	3.1
145.04948	9.6
145.10107	18.7
146.10756	1.6
147.11691	15.4
149.13257	23.1
151.11218	3.5
151.14899	2.3
159.11697	12.4
161.13289	13.1
163.03897	3.4
163.06029	12.8
163.14781	12.6
165.12769	4.1
173.13268	20.1
175.14842	2.7
177.12685	2.4
177.16402	6.4
179.14351	2.7
187.14819	8.6
191.14363	1.9
201.16342	2.5
215.18015	1.9
233.22678	3.4
243.21069	35.2
261.22150	100.0
279.23193	6.0
335.25742	33.9
353.26862	32.3
497.30978	6.0
705.04755	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83276	0.2
65.19827	0.2
67.05500	0.3
67.91025	0.3
70.06573	0.3
71.08633	0.3
71.61169	0.5
81.07062	0.3
88.07637	0.2
95.08624	0.2
102.09183	0.3
149.02344	0.4
158.03246	0.2
185.04266	0.8
185.25592	0.2
193.04974	0.5
203.05241	1.4
231.76021	0.2
256.26416	1.3
259.07898	1.4
287.87601	0.2
305.08173	0.2
333.24948	0.7
347.09482	0.9
365.10519	3.5
400.51822	0.2
421.12915	1.1
515.23871	0.3
515.31915	21.4
677.37140	100.0
678.37329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4297
Annotation	CHEBI:67338
Peak:m/z	Relative Intensity
55.05498	1.5
67.05488	2.5
71.59473	0.7
71.59937	0.9
79.05466	1.0
81.03411	1.0
81.07046	1.8
83.04973	0.9
83.08620	1.1
86.09672	0.9
91.05457	1.2
93.07053	0.9
97.10153	0.7
100.11266	1.9
105.07017	1.1
122.09473	0.8
150.05255	7.5
154.08383	2.8
168.09900	1.2
222.10992	8.7
222.12988	0.7
236.12616	2.0
267.15918	1.2
277.15222	5.2
349.20914	4.0
357.97708	0.8
367.22440	1.0
377.20413	16.4
393.20059	1.4
421.23083	1.0
444.28378	1.9
449.26123	6.1
476.27365	3.0
490.28931	10.5
503.37396	2.3
562.34576	2.1
603.37781	4.4
675.42981	100.0
676.43329	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	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79382	0.2
63.03763	0.2
69.78374	1.5
73.07800	0.2
98.58540	0.2
107.35390	0.2
107.48857	0.2
138.85023	0.2
160.27328	0.3
185.04282	0.7
203.05409	0.3
253.37601	0.2
256.26361	0.7
259.07977	0.5
333.24905	0.4
347.09470	1.3
353.26437	0.2
460.67123	0.3
515.31909	25.4
516.32574	0.3
677.37128	100.0
678.37634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30149	0.5
80.69247	0.3
81.18758	0.3
105.53201	0.3
115.25235	0.3
168.36963	0.3
179.09169	0.3
282.36929	0.3
287.45941	0.3
329.16010	0.4
439.14252	0.5
441.19666	0.4
443.17456	0.4
444.18390	0.5
445.18823	0.9
452.15720	0.4
453.15976	0.9
454.16434	1.0
455.17746	0.4
457.14505	0.5
466.16840	0.4
467.12848	0.4
467.18076	0.7
468.13412	1.7
469.14630	5.5
470.15085	1.6
471.16922	1.1
472.17694	0.7
479.17386	0.4
480.14157	0.7
481.14679	2.6
482.15854	8.2
483.16638	8.7
484.17340	2.1
485.18045	1.3
495.16721	3.5
496.17511	5.3
496.76727	0.3
497.18228	33.2
498.18900	5.0
499.19589	0.9
500.16748	0.5
510.19366	1.8
511.19803	5.0
511.26474	0.5
512.20544	1.2
513.17987	0.7
514.19592	0.4
515.19104	2.7
528.16040	2.0
529.16504	0.7
538.20258	0.5
539.22455	0.4
541.17188	1.1
542.17590	1.8
555.18573	3.8
556.19458	3.0
557.20221	3.2
558.20282	0.4
569.20129	0.6
571.22058	0.4
573.22943	0.8
585.23450	0.5
616.21741	1.4
617.22772	1.1
629.22931	0.5
630.23920	0.4
643.23962	6.7
644.24683	6.4
645.23547	1.2
657.25641	6.0
658.26416	0.7
660.24408	1.6
675.26587	100.0
676.26886	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.4
69.07056	0.3
71.42406	0.3
81.07047	0.2
105.07045	0.3
138.58586	0.2
139.85796	0.2
162.54565	0.2
388.15662	0.3
399.14777	0.4
400.15445	0.5
413.16235	0.7
426.17090	0.4
428.18567	0.8
429.15808	1.0
430.16415	0.9
431.17587	0.3
439.13663	0.3
440.14285	0.3
441.20282	1.2
442.16547	0.7
443.17645	1.4
444.18045	1.5
445.18765	2.3
452.14609	0.5
453.15466	1.3
454.16650	0.7
455.12631	0.4
455.17847	0.8
456.14120	0.7
456.19135	0.6
457.15228	2.0
457.19986	0.6
458.19855	0.4
467.12921	0.9
467.17676	1.2
468.14246	0.9
469.14182	2.3
470.15186	1.7
471.16272	2.9
472.17761	1.4
473.17944	0.6
475.19574	0.3
480.14038	1.8
481.14951	2.9
482.15790	2.7
483.16589	4.5
484.17398	1.1
485.18527	4.2
486.19043	0.4
487.16080	0.3
488.16818	0.3
493.14529	0.3
494.16022	0.7
495.16647	9.6
496.17361	4.7
497.18253	10.4
498.19385	1.4
499.16473	0.8
499.19662	0.8
500.17035	1.0
501.17621	0.4
502.18484	0.5
503.19421	0.3
509.18323	0.4
510.19565	0.5
511.19867	0.7
513.17523	2.6
514.18115	0.6
515.20093	1.2
517.21283	0.3
523.15356	0.3
525.17761	0.3
526.52795	0.2
527.19116	0.8
528.16742	0.4
529.20782	1.0
530.21613	0.5
531.19147	0.9
536.19006	0.4
541.17053	0.6
542.18073	0.7
543.21442	0.3
544.15747	0.4
555.18665	10.2
556.18970	1.1
557.19867	1.1
569.20142	0.3
573.23926	3.9
583.21716	0.8
585.22595	0.7
596.21753	0.4
601.22882	0.8
617.22485	3.5
627.21057	0.3
643.24097	4.2
644.24188	1.1
645.21973	3.1
657.25604	0.9
660.24164	4.3
675.26599	100.0
676.26758	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	673.3915
Annotation	Kirkinine
Peak:m/z	Relative Intensity
50.03441	0.8
55.05492	3.7
56.05019	1.7
57.72834	1.0
67.05502	2.9
71.59951	1.4
72.07748	1.4
72.08152	28.1
73.43720	1.2
79.05469	1.4
81.03404	2.1
81.07049	2.3
81.62824	1.5
84.04508	6.4
85.02888	1.9
85.59043	1.0
86.09706	93.9
91.05477	2.7
93.07036	2.3
95.08589	1.6
97.06550	1.8
98.09688	5.1
102.05544	7.9
103.05495	1.3
105.07020	3.3
111.11644	1.1
112.11226	5.0
117.07007	1.9
119.08588	1.7
120.08105	100.0
121.10142	1.4
131.04918	2.4
131.08586	1.2
133.10167	1.4
138.09239	1.3
140.14348	5.5
146.09618	5.4
152.10664	1.7
154.15910	1.7
156.10207	2.2
157.13353	15.4
159.11676	1.4
170.11772	2.9
174.12816	1.8
183.11275	7.8
185.12860	13.2
185.16473	7.0
186.09088	3.1
188.14334	7.8
191.11842	1.4
201.12268	8.3
203.13931	1.4
204.10236	3.3
211.18033	4.4
213.15976	7.3
219.11241	1.6
225.19627	4.0
226.05261	1.3
229.11842	6.6
233.16501	9.4
239.17542	3.0
243.13272	1.3
249.12358	11.3
251.13980	1.8
253.19174	2.7
259.18024	1.6
261.16006	4.7
269.18564	1.2
275.19977	1.6
277.11832	14.3
284.19684	3.6
287.17453	1.9
298.21133	3.7
303.17017	2.9
317.18570	4.3
324.19122	4.7
330.18213	1.8
331.16626	1.7
332.19507	1.8
342.20331	2.9
345.18027	2.5
352.25949	1.5
364.22235	4.0
367.23447	2.3
368.21832	1.0
376.18610	9.3
390.20111	2.7
395.22858	18.6
397.28091	1.7
400.25891	1.4
413.23621	3.2
416.21652	1.4
417.28403	1.5
418.45529	1.5
436.19592	1.2
443.22943	2.4
444.24860	2.4
445.28000	2.3
461.23492	5.9
489.26794	3.4
508.31116	6.8
511.29092	1.7
515.28558	4.2
516.15332	1.1
526.32477	2.0
529.30194	2.9
532.30859	3.4
542.29688	1.9
556.31024	1.6
557.33453	2.6
560.30963	5.7
574.31805	2.2
600.38562	1.2
628.36688	4.3
641.21838	1.3
645.40051	5.9
655.37714	1.8
673.39886	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	674.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92538	0.5
55.05503	2.9
56.96553	1.0
57.82690	0.6
67.05508	1.3
69.03413	1.3
69.07072	1.2
69.37350	5.5
70.06593	53.1
71.04988	1.2
72.08157	31.3
73.02911	0.8
77.52979	0.6
79.05486	1.6
81.07063	1.9
84.08125	0.9
85.02911	2.3
86.09707	100.0
87.10046	0.9
91.04918	0.8
91.05479	7.4
93.07056	1.5
96.08158	0.6
97.02895	1.1
97.06563	1.0
97.07675	3.5
98.09695	1.7
98.21498	1.5
105.07031	0.9
107.04937	3.7
108.05245	0.6
109.06437	0.8
112.11253	1.7
113.29746	0.6
115.08691	51.8
119.04943	6.0
121.06497	1.8
124.11205	1.1
127.03956	1.2
127.08617	0.9
135.06836	1.2
136.07579	85.3
138.12808	1.0
140.14311	3.4
141.10266	2.4
145.04955	0.7
146.99593	0.8
147.04416	2.5
149.01167	0.8
151.12392	0.8
154.15936	1.4
157.13361	17.8
162.09155	1.8
167.11794	1.3
168.14969	1.8
169.13344	4.8
173.02443	0.8
177.00740	1.1
179.11760	3.3
181.09723	2.4
183.15041	1.9
185.12868	20.1
185.16483	22.0
186.16014	1.0
188.10767	2.2
190.12343	2.1
196.14464	6.6
197.12904	1.1
204.13887	2.9
211.18112	1.7
212.14035	0.7
213.15974	24.7
214.15605	2.1
215.06978	1.0
230.07889	0.8
233.12810	6.5
235.14478	1.5
239.17563	1.4
241.11206	0.9
249.15991	7.8
253.11214	0.9
253.19264	1.6
253.22791	1.5
259.12167	1.1
261.12390	2.1
263.13873	1.7
264.20740	1.2
266.18555	0.9
270.28299	0.7
271.12158	1.2
272.12549	0.7
275.17719	1.2
277.15451	5.8
278.14999	18.8
281.22556	0.9
284.19702	13.4
292.20273	1.2
298.21280	3.7
303.17068	2.6
303.20795	2.0
331.20633	0.9
348.19150	5.9
352.26205	0.9
355.23822	0.8
359.20883	1.7
369.28610	7.2
373.22357	0.9
376.22403	1.3
377.22067	1.5
391.23395	4.5
397.28098	7.3
398.27628	1.0
402.23856	1.4
416.25320	0.8
419.26547	1.6
433.28079	3.6
447.26016	6.9
449.12497	0.8
461.27658	5.5
462.26941	4.4
470.73251	0.8
472.29132	0.8
489.20090	1.2
489.30725	0.8
490.30402	1.6
511.36111	1.3
515.32452	2.7
532.34955	5.4
539.36017	1.6
560.34485	10.5
561.34174	2.9
575.35486	8.5
646.42908	3.0
656.41284	14.8
657.40021	4.0
674.42346	76.0
675.42133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
57.03435	4.3
57.07074	31.0
58.90351	0.8
61.02926	10.8
67.05492	8.0
69.03417	1.5
69.07073	6.5
71.08234	1.4
71.08631	25.3
71.60673	1.1
73.02910	4.0
75.04504	2.6
77.50639	0.8
79.05522	0.8
81.03422	1.7
81.07053	14.7
83.08621	10.8
85.02910	14.4
85.10182	14.9
91.03964	12.3
91.05482	1.3
93.07035	1.2
95.08604	22.5
97.02882	6.7
97.06467	1.0
97.10190	5.1
99.11777	1.4
104.26681	1.0
107.08557	1.4
109.10143	9.7
111.11720	1.1
123.11726	5.6
123.12486	1.0
127.03895	3.5
137.13220	1.2
145.05006	4.9
163.06021	10.7
194.78349	0.9
221.22673	1.7
239.23700	21.4
257.24792	3.3
313.27356	100.0
314.27649	1.7
331.28439	26.9
331.32343	1.6
475.32639	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	0.5
57.03441	0.5
67.01854	0.8
69.03427	5.4
71.04985	1.1
79.05480	0.9
81.03414	3.5
85.02911	1.4
91.05494	0.6
95.04967	1.3
97.02888	1.1
99.04436	1.7
105.04494	0.3
107.04951	72.3
109.02856	2.8
115.05444	3.9
117.07034	0.4
119.04951	0.7
127.03922	6.9
131.04938	4.5
133.06552	0.3
135.04430	0.5
137.06026	0.4
141.06978	6.9
144.05695	2.1
145.04988	0.7
145.06461	2.0
146.98793	0.3
147.04401	0.8
149.05981	0.4
151.03891	0.8
153.05409	0.5
155.04926	0.5
157.06497	0.7
159.08020	0.4
165.05464	0.3
168.05702	0.7
169.06488	14.6
171.04405	1.2
171.08078	0.3
173.05977	5.7
179.03328	0.5
181.06516	0.4
185.05997	0.5
187.07547	1.1
189.05484	1.2
197.05974	100.0
198.06564	1.4
199.07503	1.0
201.05440	0.5
203.07066	0.5
213.05544	0.4
215.07011	5.9
217.05170	0.3
219.04640	0.3
219.06485	1.3
225.05431	1.6
231.06500	0.8
233.08131	0.4
235.07422	0.3
237.07538	0.6
242.05806	0.7
243.06520	8.5
254.08109	0.3
261.07373	2.1
275.10565	0.3
279.08655	1.0
281.08005	0.4
285.07153	1.3
303.09076	0.9
303.09711	0.9
315.08505	0.4
321.11136	0.4
327.08856	0.3
331.09619	0.4
341.10577	0.3
345.09665	0.8
349.10693	2.3
363.10516	0.8
369.09714	2.9
373.10889	0.3
377.10162	0.4
387.10641	1.4
439.11630	0.4
457.12677	0.7
475.13651	0.8
503.12985	0.6
521.14435	9.3
613.16748	0.7
652.32874	0.3
673.19043	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52422	0.4
55.01874	0.4
55.05509	3.7
57.03232	0.4
57.03441	4.0
57.07077	33.8
59.29951	0.3
61.02927	14.2
62.49720	0.3
66.70930	0.3
67.05170	0.6
67.05507	8.7
69.03425	2.0
69.06174	0.4
69.06719	0.6
69.07070	7.4
70.41174	0.3
71.04989	0.7
71.08633	28.2
71.12731	0.7
71.13050	0.4
73.02919	5.3
73.69744	0.3
75.04478	2.0
79.05483	1.0
79.34830	0.3
81.03398	1.3
81.06573	0.8
81.07055	15.9
83.08137	0.8
83.08619	11.9
85.02904	17.4
85.10181	18.2
89.06010	0.8
91.03955	15.1
91.05453	0.4
93.07030	1.0
94.54957	0.4
95.04991	0.7
95.08607	22.4
96.08948	0.3
97.02293	0.4
97.02891	7.0
97.10163	5.6
99.04430	0.8
99.08115	0.3
99.11720	1.2
101.02374	0.4
103.07558	0.5
105.06998	0.4
107.08595	0.4
109.02872	0.8
109.10157	11.4
111.11695	1.4
115.03925	0.8
119.08571	0.4
121.10157	0.4
123.11699	5.4
125.13272	0.8
126.44550	0.4
127.03914	6.5
137.13255	2.1
145.04955	7.8
151.14867	0.8
163.06017	12.7
221.22679	0.7
239.23689	24.1
257.24695	3.6
298.27231	0.9
313.27362	100.0
314.27658	3.8
331.28427	37.7
332.28885	0.9
389.12399	0.4
439.49899	0.4
475.31812	0.3
537.83124	0.4
641.00842	0.4
672.36182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.7
55.01865	14.7
55.05297	5.2
55.05514	58.0
57.03432	14.7
65.03931	9.5
67.05505	100.0
69.03422	13.6
69.07081	26.3
69.33710	27.0
69.34134	18.9
70.24193	4.7
71.04986	7.1
79.05494	90.2
81.03420	72.8
81.07054	91.2
82.33141	5.1
83.04970	10.5
83.08607	23.7
85.06524	7.4
91.05482	76.8
93.07048	85.9
95.01370	4.4
95.04970	97.5
95.08616	67.2
97.02893	15.0
97.06537	9.6
97.10184	22.1
103.05487	5.5
105.07032	63.3
107.04955	23.2
107.08587	38.7
109.02868	6.7
109.06533	10.7
109.10143	21.8
111.04433	14.6
111.08074	8.5
115.05449	7.2
116.48263	4.0
116.62569	4.1
117.07030	38.3
119.04922	12.9
119.08561	39.2
121.02895	14.0
121.06522	21.5
121.10130	28.4
123.04401	10.1
123.08044	8.4
123.11663	7.0
125.09635	19.5
128.06250	7.0
129.07021	24.1
131.04919	14.2
131.08540	37.1
133.06482	15.6
133.10124	32.5
135.04442	6.6
135.08078	14.4
135.11702	21.2
137.05919	6.6
137.09605	5.4
141.07018	8.5
143.08553	19.4
145.06493	20.5
145.10123	30.1
147.04408	18.6
147.08061	12.1
147.11682	16.1
149.05983	12.4
149.09639	7.9
155.08583	18.0
157.06532	4.8
157.10104	14.5
159.08080	9.7
159.11714	17.9
160.05211	5.5
161.05978	18.4
161.09612	13.9
161.13258	10.3
163.07538	5.2
163.11209	21.1
165.06953	6.9
167.08583	6.9
169.06511	7.3
169.10147	18.4
171.08037	6.7
171.11725	17.4
173.06010	15.6
173.09648	6.4
174.06822	16.1
175.07538	9.8
175.11177	8.7
177.12726	7.1
179.08543	9.2
181.10182	8.2
183.08003	6.1
183.11722	10.2
185.09676	4.8
185.13309	8.0
187.07472	8.2
187.11145	4.8
187.14813	5.3
189.05464	15.9
189.09023	4.6
189.11182	7.4
191.06912	5.3
193.10156	5.7
195.11761	9.4
197.13306	9.0
199.14841	5.4
205.12250	12.3
209.09616	6.6
209.13290	6.3
223.13232	6.5
225.12796	5.6
237.12538	5.4
244.45023	5.6
251.55643	4.5
259.13101	5.8
259.20718	12.5
271.13351	7.7
273.14832	49.1
283.13202	6.3
285.14838	6.1
287.16241	5.1
289.14340	5.2
301.14355	50.9
303.15833	31.1
319.15521	20.7
333.24203	7.5
335.25824	26.0
337.21304	6.3
375.18002	8.8
377.19693	5.9
393.19037	13.2
435.28250	4.8
499.45566	5.7
541.35162	5.6
543.34521	6.5
545.90802	4.8
555.36560	4.9
579.36957	6.3
605.37848	6.0
617.38477	9.5
623.39270	17.6
635.39349	57.2
653.40906	29.1
671.41498	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01864	1.3
58.56334	1.0
61.52215	1.1
67.05494	2.6
69.03429	16.3
69.55088	2.9
69.55505	5.7
71.04975	1.6
73.02908	1.1
73.93124	1.0
79.05489	3.2
81.03399	6.0
81.07056	1.3
83.04995	1.2
85.02902	3.9
87.04485	1.1
91.05469	4.3
93.07050	2.9
95.04967	1.6
97.02895	4.8
97.06498	1.2
99.04463	2.7
105.07028	10.5
107.22153	1.0
109.02864	7.3
111.04411	2.5
115.05461	3.2
117.07018	4.2
119.04963	2.2
119.08559	2.5
121.06496	1.0
127.03928	9.1
128.06227	4.1
129.07033	7.3
130.07782	2.2
131.08560	9.8
133.10138	2.1
135.08064	1.3
137.05965	2.0
141.07007	2.9
142.07774	6.8
143.08562	10.8
144.05664	2.0
144.09373	1.2
145.04927	4.6
145.06467	3.7
145.10123	15.8
146.07253	3.9
147.08003	1.6
147.11691	1.4
153.06973	1.3
155.08505	6.5
156.09338	16.1
157.06517	3.0
157.10138	11.5
158.07262	4.3
159.08052	97.7
159.11598	2.2
160.08650	1.2
165.06966	2.6
166.07791	4.2
169.05063	1.5
169.06505	2.8
169.10178	1.3
171.08061	23.3
171.11690	24.1
172.08867	10.3
173.09637	24.3
173.13289	3.0
174.10405	100.0
175.11195	23.7
181.10115	8.6
183.11662	1.7
184.08870	13.4
185.09579	4.7
186.10370	3.3
187.11211	2.6
189.09088	1.8
197.09607	1.8
199.11182	73.3
201.12717	7.6
209.09692	4.5
212.08345	4.4
215.05385	1.8
217.12241	16.0
227.10652	32.3
230.09355	2.3
241.12192	1.3
243.10086	1.1
245.11729	99.5
263.12762	1.9
265.12341	1.6
283.13217	1.9
301.14444	2.2
305.13922	11.5
323.05280	1.0
325.14279	4.8
326.45096	1.2
343.15408	4.7
353.13937	2.0
371.14761	7.1
389.15964	97.1
390.16205	2.6
407.17007	39.9
459.14044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.5
60.64602	0.5
65.03943	1.0
67.05501	1.4
69.03413	0.6
71.60385	1.1
85.02905	2.2
95.04932	1.0
97.02887	1.2
108.02104	1.6
109.06507	0.6
111.04419	0.7
121.97321	0.5
122.03660	1.7
131.04900	1.1
137.05977	40.5
141.05446	3.0
143.04924	1.9
145.06474	1.5
150.69456	0.7
151.03903	100.0
151.04936	4.1
159.08092	1.0
161.06081	0.6
163.07590	0.9
175.07564	1.9
176.04770	0.6
191.07037	4.2
203.07025	2.5
221.08023	1.5
315.12292	1.6
327.12289	22.2
345.13318	12.9
507.18610	4.7
518.00977	0.7
543.79315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
56.03658	1.1
69.03431	7.5
69.07060	1.5
70.06956	1.0
70.43305	4.5
76.07279	1.1
79.05505	2.3
79.61837	1.1
81.03400	2.1
81.07051	1.6
83.04977	2.0
85.02897	2.9
86.09721	1.7
91.05489	4.2
93.07059	1.2
95.04984	1.6
95.08575	1.8
97.02908	2.6
99.04444	1.7
99.10244	1.2
105.07041	6.9
107.08582	1.2
109.02884	2.9
111.04425	1.3
117.07028	3.0
119.08582	3.1
127.03882	4.4
128.06238	3.5
129.07011	5.8
129.79327	1.2
131.08572	8.2
133.10191	1.3
141.07019	3.1
142.07805	5.3
143.08571	12.2
145.06490	4.6
145.10127	9.2
146.07259	1.5
153.07028	1.9
155.08540	2.9
156.09348	15.5
157.06458	2.9
157.10132	7.3
158.07304	2.2
159.08058	42.8
159.11732	1.5
161.09673	1.4
165.07030	2.1
166.07851	3.6
169.06461	2.3
169.10179	2.1
171.08055	37.7
171.11702	24.0
172.08827	12.6
173.09642	18.3
173.13235	1.9
174.10417	33.6
175.11176	7.4
181.10135	6.6
183.11565	1.4
184.08842	15.2
185.09616	2.5
187.07564	1.8
197.04417	2.4
197.09621	2.0
199.11183	99.4
201.12807	4.1
209.09630	3.0
217.12279	7.6
227.10677	22.6
244.17981	1.4
245.11737	100.0
263.12943	1.4
265.11975	1.1
283.13312	1.9
301.14267	2.7
305.13922	4.6
371.15128	6.0
373.15350	1.4
389.15924	27.1
407.17044	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34068	0.3
52.55609	0.4
52.56289	0.3
55.05511	0.4
55.45025	0.3
56.14048	0.3
56.96309	0.4
56.96559	10.7
56.96838	0.5
67.05494	0.8
69.03416	1.4
69.49429	1.1
69.49854	2.2
70.06586	1.9
71.04981	0.6
72.08141	0.7
73.02889	0.4
74.97623	0.4
79.05470	1.0
81.03398	1.4
81.07048	0.8
84.08122	0.8
84.96037	0.4
85.02886	1.7
86.09660	0.9
91.05454	0.8
93.07053	0.5
97.02863	0.9
98.97575	0.9
99.04478	0.4
100.11243	1.3
105.07012	0.9
107.04955	2.1
110.06024	0.3
115.00700	2.4
115.05436	0.7
116.98628	0.9
117.07002	1.4
121.06496	0.4
123.04454	0.7
124.05193	0.5
126.93958	0.4
127.03894	1.0
127.40878	0.4
129.07008	0.7
129.10187	0.4
131.08553	0.6
133.01733	4.2
134.99673	0.9
137.05902	0.5
145.06511	2.8
149.01167	0.6
151.02768	1.1
155.03758	0.6
156.03262	0.5
156.05684	1.0
159.08025	1.3
161.05940	0.9
167.03813	0.7
167.07034	11.3
168.07379	1.6
169.07600	0.9
171.07951	0.5
173.04787	0.9
173.05986	4.3
181.04932	1.2
181.08527	0.5
183.03218	1.6
185.04906	2.3
187.02805	0.6
187.07610	0.8
190.06265	2.1
190.95303	1.0
193.08629	0.5
201.04256	2.3
202.06335	0.4
203.05841	0.5
205.08626	7.1
207.06845	5.2
209.04807	0.9
212.97432	1.4
217.08661	3.3
219.10127	0.9
221.08012	0.4
223.09885	0.9
225.07979	100.0
226.08374	0.8
227.05850	0.4
227.08336	0.5
233.04840	1.9
233.08180	0.5
235.02882	0.6
235.09666	2.2
239.05855	0.9
241.11137	0.9
243.09048	45.5
244.09282	0.5
247.09746	0.8
248.09531	1.1
249.07893	0.5
251.05989	2.3
253.03841	0.8
257.06943	2.0
263.09146	0.6
265.10956	1.8
266.10568	4.3
267.09003	7.9
269.07999	0.6
273.07916	2.9
283.12357	0.4
285.10065	12.0
291.09091	1.5
303.11148	4.9
308.11578	1.3
315.08710	2.8
323.12827	0.6
327.11154	28.7
330.11050	4.6
343.11697	0.8
345.12189	16.2
348.99332	0.5
351.12311	1.0
353.03534	0.8
359.23422	0.4
363.07840	4.3
368.13766	2.1
369.13116	0.7
371.04593	1.1
371.40765	0.4
383.14883	1.6
385.74942	0.4
401.15872	1.4
407.06772	1.7
423.18390	4.9
425.07907	7.6
461.17773	1.1
483.20398	4.6
485.81647	0.4
527.19122	0.5
543.22864	3.1
587.21606	1.9
623.18134	1.4
649.49658	0.7
667.16888	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03949	3.9
55.01865	2.1
55.05515	9.9
57.03431	3.3
61.02924	3.4
65.03931	2.7
67.05504	26.9
69.03431	16.1
69.07076	8.8
70.06599	1.4
70.13860	3.6
71.04982	2.1
73.02916	2.6
77.03904	1.0
79.05492	21.0
81.03422	8.3
81.07060	57.5
83.01341	1.2
83.08620	1.8
84.08145	1.1
85.02908	45.9
87.00828	11.5
87.04459	1.5
91.03935	1.2
91.04926	0.5
91.05476	22.2
93.07045	40.0
95.04973	3.5
95.08607	70.2
97.02896	19.0
97.10162	1.9
98.21439	1.1
99.04434	4.0
103.05420	1.2
105.01871	23.4
105.07034	68.8
107.08598	65.7
108.08891	0.8
109.02885	9.4
109.06521	3.2
109.10161	44.0
109.10918	2.1
111.11720	1.2
115.03929	1.1
117.07012	1.7
119.08581	44.9
120.08913	1.0
121.10144	21.0
123.11719	10.3
127.03923	22.5
131.08577	2.0
133.10132	30.7
135.11685	12.8
137.05954	1.5
141.06956	1.0
145.04958	10.8
145.10114	3.9
147.02820	0.9
147.04434	2.1
147.11687	53.1
148.15233	0.9
149.13266	2.3
151.11235	1.5
159.02902	3.2
159.11700	2.6
161.13263	19.0
163.14851	12.2
171.11729	0.9
175.14876	8.8
189.03833	1.3
201.16371	1.1
203.17960	100.0
204.18307	3.2
205.19577	1.0
213.03967	1.4
221.19029	5.0
231.04971	8.5
249.06065	7.0
373.50711	1.1
400.26874	1.2
413.15988	1.2
494.19037	1.8
564.11499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.8
53.03947	2.2
54.38617	0.8
55.01866	4.5
58.99577	13.8
65.03943	2.2
67.05499	1.7
70.06580	4.2
71.59377	1.3
72.08141	1.7
74.00681	0.8
74.01675	1.0
76.02224	92.7
76.03995	3.4
77.03938	1.0
79.05492	3.7
79.59218	0.8
80.05010	0.9
81.07043	1.2
83.06097	1.8
83.67967	0.9
84.04496	27.2
84.08147	2.4
85.02895	3.2
86.09713	2.7
86.99052	3.2
88.02199	1.1
91.05477	43.4
93.07037	1.9
94.04141	1.5
94.08632	1.0
95.04967	3.9
97.02882	1.7
99.05616	0.9
100.90438	0.8
102.05538	1.0
103.05470	6.3
103.49224	0.8
105.03393	10.0
105.07021	8.5
107.04959	6.0
108.05756	2.2
109.06502	12.2
115.05463	2.6
116.01677	23.6
118.04166	1.5
119.04937	65.0
121.06513	6.1
122.03661	2.2
123.08033	4.4
123.39308	0.8
124.05312	1.0
127.03931	1.2
130.04147	1.8
130.05009	15.5
131.04955	4.7
132.05739	0.9
133.02861	2.2
133.06503	9.0
135.04419	1.4
135.08080	1.5
136.07608	1.1
137.05969	53.0
142.03218	9.6
144.01126	12.5
145.06473	1.8
146.05920	1.0
147.04404	20.0
149.00528	5.1
149.05916	4.3
150.06773	1.2
151.07545	30.5
153.01784	1.0
157.06616	1.2
159.08031	2.0
161.00574	1.4
161.05983	21.1
161.07225	0.8
162.02200	43.3
162.05473	2.4
162.06758	6.2
163.03973	1.2
163.07561	1.7
165.05499	2.1
170.02695	3.2
173.09190	1.4
175.07533	9.4
177.03278	4.3
177.07822	8.2
178.00858	4.4
179.04866	72.0
179.07030	27.8
181.03160	1.4
184.41324	0.9
187.02144	1.7
187.05312	2.1
187.07535	7.3
193.03178	53.5
193.08614	3.5
200.70990	0.9
204.06560	1.1
205.06715	1.4
205.08557	9.8
215.01686	1.0
215.04898	3.1
217.08627	1.3
219.04753	3.0
219.08095	2.6
224.07207	1.1
231.04395	1.7
233.05898	21.3
235.09683	2.8
236.07426	3.1
245.05901	2.6
246.05969	1.3
247.04198	4.8
247.07568	1.6
251.10612	1.5
259.07742	1.0
263.10715	0.9
264.06989	4.9
264.65060	0.9
279.10138	1.6
287.05435	1.3
290.07898	1.6
291.06519	2.4
291.10229	2.5
302.08585	1.0
308.09085	100.0
309.11240	8.8
310.44949	0.9
311.12759	3.6
323.12582	1.9
327.10068	2.5
329.13754	2.4
339.10095	20.6
341.13855	3.6
342.05899	1.4
375.10098	0.9
376.99127	1.2
393.11057	5.4
456.14569	2.6
468.14517	3.5
572.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35574	1.1
51.67138	1.2
55.05515	1.0
56.97829	1.0
67.05501	1.8
68.98386	1.1
69.07030	1.0
71.60378	1.0
71.60770	1.9
72.53689	1.0
74.48698	1.0
78.98794	1.0
79.05488	1.4
80.74213	1.0
81.07061	1.8
83.08622	0.9
91.05473	1.2
93.07063	1.1
95.08616	1.4
100.83742	1.1
103.61053	1.1
116.06279	1.0
209.77589	1.2
215.11310	1.3
235.13193	1.2
239.29483	1.2
256.06723	1.2
271.06097	2.2
271.13947	1.9
335.21906	17.7
353.22989	43.1
371.22934	4.2
665.46027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3897
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
53.03944	5.6
55.05507	18.0
67.05503	26.7
69.03436	4.6
69.07064	18.3
69.54571	32.3
70.06599	32.1
72.08153	11.8
73.02906	7.2
79.05492	25.4
81.03385	3.7
81.07059	63.0
83.04977	4.1
83.08610	9.7
84.08150	18.7
85.02894	21.6
85.06530	5.7
86.09704	7.3
88.31491	3.4
91.05476	32.1
93.07043	48.9
95.01337	21.0
95.04990	7.7
95.08035	6.8
95.08613	82.9
97.06516	20.1
97.10162	5.6
103.05439	4.2
104.05341	4.7
105.07035	71.1
107.05009	4.8
107.08596	69.6
109.06529	7.8
109.10162	44.7
111.08087	16.1
117.06999	9.5
119.08582	100.0
120.08111	7.7
121.06530	8.0
121.10143	53.1
123.08090	9.8
123.11678	20.3
125.09603	4.8
128.06203	5.4
129.06992	10.7
129.10243	11.5
131.08537	38.4
133.10127	74.6
135.07985	5.4
135.11679	20.9
137.05963	28.9
137.09636	6.9
141.01854	39.9
142.07796	12.0
143.08618	23.9
144.09389	8.5
145.10121	76.7
147.04422	10.6
147.11719	45.1
149.09659	7.3
149.13242	25.8
151.07576	7.8
151.11185	4.6
155.08604	11.1
156.09340	9.3
157.10127	45.7
158.10898	8.5
159.02936	4.8
159.08139	4.4
159.11684	80.9
161.05942	5.6
161.09637	4.8
161.13260	57.1
163.03998	4.4
163.14818	11.8
167.08580	5.5
169.10121	14.6
170.10959	8.4
171.11687	40.8
173.09654	6.6
173.13264	58.0
175.07565	4.3
175.11259	7.9
175.14807	31.0
177.12791	5.7
177.16373	15.9
181.10121	6.2
183.11664	14.1
184.12540	4.2
185.13290	39.0
187.07587	5.2
187.11234	5.2
187.14815	68.1
189.16342	42.4
191.14380	5.1
193.12288	11.2
194.11275	4.2
195.11763	6.4
197.13214	16.9
199.14807	31.4
201.12752	7.5
201.16377	40.9
203.14311	13.2
203.18019	16.7
205.15906	14.7
205.19618	4.6
207.13814	7.8
207.17436	16.5
209.13290	6.7
211.14740	19.0
213.16408	15.0
215.14291	6.9
215.17937	14.7
217.12134	4.6
217.15915	7.6
217.19437	4.5
219.13954	7.1
219.17424	10.6
221.15434	8.9
223.14851	4.6
225.16444	5.7
227.18004	8.5
229.15865	16.7
231.13863	6.3
231.17418	6.4
233.15398	12.6
235.16945	6.4
237.13399	6.5
241.19455	8.3
245.19006	5.2
247.16933	51.7
249.16371	4.7
251.18019	6.8
255.14362	7.2
259.16891	5.4
271.20737	5.0
275.20175	5.3
287.19925	5.0
377.28549	6.6
395.29514	17.8
399.18619	11.0
405.31418	5.5
407.33029	16.0
413.16083	4.9
417.31351	22.4
423.32507	15.7
425.34183	5.4
435.32596	58.8
453.33621	51.3
471.34714	10.7
493.92441	4.7
506.10794	3.8
629.36627	13.9
647.38287	6.9
665.23602	5.2
665.35602	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	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01846	0.6
57.03421	0.5
60.04506	0.5
65.03922	1.1
67.05493	0.7
69.03427	3.5
70.06599	3.2
71.04983	0.4
71.59853	0.6
72.08145	0.9
72.93764	0.6
73.02892	0.5
78.04684	1.5
79.05469	1.0
81.03409	2.9
82.04185	0.5
84.04466	0.6
84.08125	0.9
85.02497	0.3
85.02907	4.2
86.09729	1.7
87.00807	0.8
91.05469	1.2
95.04952	1.4
96.56110	0.3
97.02870	2.7
97.64261	0.4
98.80046	0.4
99.04424	0.8
101.02347	0.4
102.05479	0.3
103.05452	1.2
103.65168	0.3
104.71012	0.3
105.01845	0.4
105.03369	0.5
106.04153	1.0
107.04272	0.6
107.04956	6.1
109.02850	2.7
110.03658	1.0
110.07124	0.5
111.04462	0.7
113.69515	0.4
115.05453	2.6
116.98599	0.5
117.07014	4.5
119.08512	0.3
120.08055	1.0
123.04440	5.6
124.05198	2.3
125.06004	0.9
127.03893	3.0
127.05354	0.9
129.10246	1.0
132.95840	0.3
133.06468	0.7
133.26686	0.4
134.03647	0.8
135.04413	0.5
137.05951	1.1
138.03111	0.7
144.95856	0.5
145.06490	10.4
147.04425	0.4
147.08086	0.3
151.03896	1.3
151.07541	0.4
152.04686	1.0
155.05974	1.7
158.97362	0.6
159.07916	0.4
161.05894	0.4
165.05516	0.4
167.07037	100.0
168.07368	1.1
171.06514	1.5
173.05984	17.9
174.06299	0.4
174.96886	0.6
175.07518	1.0
180.99458	0.5
181.04953	24.2
182.05328	0.4
190.06126	0.4
191.07022	0.7
193.08629	0.4
197.06049	0.5
201.05521	1.0
203.07007	0.5
205.08611	4.2
207.06564	0.8
209.08029	0.5
217.08604	0.9
221.07962	0.6
231.10144	0.7
233.08102	5.6
234.99217	0.5
235.09659	4.0
237.02829	0.5
239.00060	0.6
245.08086	0.9
247.09691	0.8
248.98425	0.6
253.89294	0.4
259.09717	0.8
263.09140	0.4
266.99426	0.6
270.74667	0.4
275.09271	0.7
277.10925	0.8
305.10147	0.5
336.03964	0.4
337.10669	0.6
351.01636	1.1
355.11600	0.4
358.44754	0.4
366.11505	0.4
367.11841	1.3
369.02829	0.9
369.13406	1.8
381.13440	1.1
383.09512	0.4
383.14926	1.6
387.14432	10.7
395.14993	1.4
399.14496	3.2
411.03775	0.5
411.14612	1.2
412.04077	0.4
417.15430	19.6
423.14493	0.8
441.15451	0.6
459.16479	1.7
521.46948	0.4
531.15356	0.6
561.16974	0.4
579.20813	0.8
583.96021	0.3
621.21588	1.8
632.17468	0.4
665.20740	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	664.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75633	1.9
55.05512	16.2
57.03421	6.4
65.03941	2.4
66.39776	2.0
67.05183	2.1
67.05507	35.3
69.07064	13.4
70.65751	4.8
70.66138	3.9
71.04980	10.0
79.05096	2.9
79.05490	23.3
81.07055	83.5
83.04958	4.0
83.08620	13.3
85.02896	4.4
85.06516	7.3
91.03958	2.2
91.05466	23.1
93.07035	22.5
95.04963	4.7
95.08606	82.5
97.02909	2.8
97.06513	13.4
97.10159	2.9
99.08104	5.4
105.07018	27.7
107.08561	11.0
109.06503	5.8
109.10143	11.4
111.08125	3.0
115.93755	2.3
119.08569	35.0
121.10123	6.9
123.08076	5.8
133.10124	23.7
135.11646	14.0
137.09599	6.0
137.13263	5.3
145.10136	4.4
147.11623	2.1
159.11739	3.3
161.13245	56.3
163.11113	2.6
179.14302	71.7
197.15329	5.9
253.18008	19.7
271.19009	17.5
357.27759	4.9
375.28824	7.0
393.29922	3.9
431.31577	2.3
449.32709	34.1
467.33667	100.0
468.34030	3.1
499.56665	2.6
508.28781	2.4
673.12518	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	46.7
57.93022	1.3
59.06103	2.1
69.95991	7.2
75.34333	1.5
84.83342	1.3
86.82008	1.3
91.05479	5.9
107.38284	1.4
111.32949	1.6
143.26457	1.4
147.11691	6.4
152.06332	1.4
153.06998	3.5
174.56639	1.3
177.57738	1.5
198.57593	1.5
228.09404	1.5
233.03603	6.1
251.04683	15.4
307.10898	2.1
327.07813	95.7
383.14050	79.0
439.20325	66.9
480.23169	2.0
495.26605	79.0
507.06088	1.7
551.32843	100.0
552.32257	1.6
607.39020	56.5
663.45709	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	663.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70068	0.5
56.96568	10.8
67.05491	2.0
68.62404	0.5
69.97078	0.4
71.59940	0.6
71.60382	0.5
71.95262	1.2
72.96032	0.5
74.97591	1.4
79.05497	0.8
81.07063	0.9
84.96040	0.6
91.05485	0.7
95.08598	0.8
97.96814	0.8
98.97580	1.3
103.00702	0.5
107.08540	0.6
113.10461	0.5
115.00669	0.7
116.98620	1.2
128.98569	1.4
133.01765	0.9
134.99669	1.0
143.00169	0.6
146.99631	2.2
147.03345	0.4
153.43381	0.6
155.03838	0.6
159.03293	0.8
165.00662	0.6
171.03307	1.0
173.11665	0.5
175.02800	0.9
185.04825	1.2
187.06226	0.6
189.04344	1.6
194.05070	0.5
197.04890	1.0
198.05603	0.8
199.06432	7.3
203.05995	2.3
205.05655	0.5
205.07562	0.7
213.07941	1.7
216.06754	0.7
217.07455	11.9
217.09447	0.9
223.06389	3.1
223.10049	0.6
225.04239	0.9
229.07472	1.4
231.09039	1.9
235.08498	0.9
239.05931	0.9
239.09615	1.9
241.07487	16.5
241.11096	6.2
243.05453	0.6
247.08496	1.2
257.10562	2.1
259.08542	30.0
259.12155	10.4
260.08932	0.8
264.09271	0.7
267.09088	0.8
273.09924	0.7
277.09637	6.1
281.10519	2.1
282.10263	2.3
282.13605	0.7
299.11694	3.6
315.16281	1.2
317.13168	0.7
321.17200	0.5
322.13428	0.6
333.17355	10.8
351.18417	100.0
352.18790	2.3
369.19458	19.2
374.20224	1.0
383.14059	0.6
392.21109	6.2
535.28876	0.5
564.97937	0.6
663.41302	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	661.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01873	6.6
55.05512	18.2
57.03436	2.2
57.06859	1.5
57.07079	15.3
62.50848	1.5
65.03948	3.8
67.05506	46.4
68.99799	1.8
69.03424	13.3
69.06718	2.4
69.07073	36.6
71.04993	6.9
71.08630	6.6
79.05489	10.9
79.09104	1.3
79.45119	1.3
81.03418	59.1
81.07059	24.3
83.01347	6.8
83.04984	15.2
83.08627	20.1
85.02889	3.8
85.06540	3.4
85.10174	3.9
87.04494	9.1
91.05486	23.4
93.07048	26.9
95.04969	27.8
95.08604	43.4
97.02883	2.4
97.06518	3.3
97.10165	14.2
99.04476	3.2
101.02421	1.6
103.05473	2.0
105.07037	25.4
107.04964	5.8
107.08591	35.1
109.02886	1.9
109.06541	12.3
109.10152	24.6
111.00797	5.4
111.04445	1.5
111.08070	3.4
111.11746	4.1
113.06005	9.6
115.05466	2.8
117.06996	9.0
119.04959	9.3
119.08566	23.3
121.06503	33.8
121.10143	20.3
123.08102	9.5
123.11715	15.3
125.02386	2.0
125.06003	4.0
125.09661	7.5
127.11224	1.7
128.06194	2.5
129.01842	6.0
129.07033	5.6
130.07816	2.6
131.04967	2.2
131.08571	12.6
133.06491	7.5
133.10132	14.4
135.04456	6.1
135.08089	6.7
135.11707	13.8
137.05994	3.3
137.09592	2.6
137.13263	4.6
139.07582	3.5
141.06993	2.4
142.07790	2.9
143.08565	8.2
145.06532	4.5
145.10123	21.0
147.04428	13.6
147.08047	4.7
147.11708	13.1
149.05981	13.6
149.09618	3.5
149.13272	12.5
151.03978	2.2
151.07545	4.7
151.14819	4.4
153.01833	9.8
153.05440	3.3
153.07004	3.0
155.07056	14.0
155.08563	15.6
156.09369	2.8
157.10126	6.2
158.07237	2.6
158.10890	1.7
159.08087	12.3
159.11679	8.4
161.02351	2.2
161.06030	5.4
161.09613	4.7
161.13281	12.2
163.07625	1.4
163.11208	3.7
163.14838	4.8
165.05490	19.2
165.06876	2.9
165.09178	1.7
165.16324	1.6
167.07047	33.0
167.08414	2.4
168.05779	1.9
171.08095	2.8
171.11714	7.8
173.05965	2.0
173.09630	14.3
173.13246	8.6
175.07608	2.3
175.11180	1.9
175.14833	8.3
177.05505	6.7
177.09200	2.2
177.12779	2.7
177.16396	3.3
177.49394	1.5
179.03491	1.7
179.07069	13.1
183.06685	1.4
183.08041	9.2
183.11742	1.7
185.06009	3.2
185.09624	1.9
185.13289	3.9
187.07559	12.7
187.14833	19.4
189.12741	11.8
189.16415	5.8
191.07005	3.9
195.06534	33.4
196.07367	3.6
197.08078	44.0
198.91811	1.5
199.07542	2.2
199.14845	2.5
199.92235	1.5
201.05281	1.8
201.09119	15.2
201.16342	2.8
203.07120	4.0
203.14334	2.6
203.17947	3.6
205.04988	2.2
205.08636	6.6
205.15854	1.9
207.06412	1.7
207.13708	3.1
209.08073	2.6
211.07530	11.5
213.16373	7.2
214.06277	10.5
219.10223	3.5
219.21130	5.6
221.04539	1.8
221.08083	3.3
225.07588	4.6
227.17897	1.5
229.08600	100.0
231.17384	4.3
235.09685	2.8
237.22217	6.1
239.05473	3.9
241.08633	1.4
247.09660	76.3
263.08945	6.9
265.10709	28.7
279.12405	3.6
281.10272	4.1
283.11771	9.6
287.27307	3.1
301.12619	9.0
301.28903	3.9
303.15936	13.6
305.28445	3.2
315.30374	1.9
325.28900	6.0
343.29984	14.8
361.30923	3.2
367.19037	3.0
371.18564	4.9
383.22311	2.9
385.20148	2.8
389.19650	5.1
407.20557	1.8
443.65585	1.9
521.36072	4.7
539.37164	5.6
557.38440	3.3
579.72498	1.7
589.38934	2.1
607.39740	2.9
643.42780	1.9
661.41339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01865	4.4
55.05265	1.0
55.05514	13.0
57.03437	26.4
57.07078	4.5
59.04992	0.9
61.02927	84.4
65.03931	2.4
67.05503	42.7
69.03429	31.7
69.06715	1.1
69.07070	18.2
70.43120	2.4
70.43461	1.0
71.01357	4.5
71.04988	4.7
71.08628	1.8
73.02916	29.7
75.04460	1.8
79.05492	14.4
81.03054	0.6
81.03419	26.1
81.07057	46.4
83.01331	1.9
83.04983	4.9
83.08614	12.2
85.02904	100.0
85.06526	1.3
86.91380	0.8
87.04475	4.8
91.03954	61.1
91.05481	11.0
93.07040	17.6
95.05003	4.2
95.08605	36.8
97.02890	78.5
97.06540	3.6
97.10168	7.0
99.00835	0.7
99.04455	16.5
99.08110	2.5
101.02374	9.3
101.03726	0.7
103.03287	1.1
103.03937	9.2
105.07027	7.4
107.04944	1.2
107.08591	11.3
109.02883	14.5
109.06528	1.8
109.10158	18.0
111.04442	2.9
111.08086	2.4
111.11739	2.0
113.09666	0.8
113.88335	0.7
115.03935	6.3
117.05498	3.0
117.06931	1.7
119.04938	0.7
119.08572	7.8
121.06537	0.8
121.10150	9.8
123.04420	1.0
123.08093	1.3
123.11713	9.0
125.05959	1.0
125.09614	1.4
127.03917	33.2
129.05476	5.8
131.08589	3.0
133.06609	1.0
133.10139	7.9
135.08078	0.9
135.11676	5.8
137.06017	1.2
137.13257	3.8
139.11163	1.2
141.05492	1.1
141.12717	1.2
145.04964	22.6
145.10168	2.0
147.11649	5.8
147.67978	0.7
149.09656	1.1
149.13258	4.3
151.11150	1.4
151.14798	2.6
157.10265	1.0
159.06566	3.7
159.11719	1.8
161.13290	3.4
163.05991	6.1
163.11133	1.2
163.14838	5.2
165.12790	1.3
165.16382	1.0
169.05122	0.7
171.06587	2.3
173.13255	1.1
175.14819	3.1
177.12798	1.0
177.16368	1.7
179.14212	0.9
179.17963	0.9
183.06543	12.6
187.14749	1.2
189.16428	1.4
191.14255	0.9
199.11307	1.2
201.07613	7.8
201.16339	1.4
204.77583	1.0
219.08638	1.0
231.67038	0.9
245.22659	11.2
261.22134	2.4
263.23688	17.6
271.86789	0.9
273.13327	0.9
275.23660	1.3
293.24930	0.9
305.24762	2.2
317.24738	1.7
329.24863	2.0
335.25763	1.0
337.27368	90.6
338.27948	1.5
343.26297	1.4
347.25891	1.3
353.24741	1.9
361.27444	0.9
365.26776	4.2
371.25809	4.6
379.28488	2.4
389.26865	1.1
407.28183	1.5
421.29437	1.2
427.28207	1.9
445.29660	5.1
463.30649	3.9
481.31750	9.0
499.32355	2.0
535.97937	0.8
564.96875	1.0
661.36938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04833	0.5
61.02929	0.7
65.03961	0.6
67.01881	0.5
69.03439	0.7
70.06593	0.9
71.30077	1.4
79.05475	1.2
81.03414	1.0
81.07063	0.6
85.02909	0.6
86.09718	0.9
89.77911	0.5
91.05483	2.3
93.07040	0.7
94.04198	1.0
95.04946	1.4
95.08591	0.8
103.05487	0.9
105.07036	1.6
107.04971	2.3
107.08585	0.9
109.02863	0.7
115.05518	0.8
117.07029	0.7
121.06498	1.6
122.03677	1.3
123.04449	1.1
131.04922	2.9
132.05698	0.6
133.06534	1.2
135.04433	2.3
137.02365	0.7
137.05978	17.6
138.47379	0.5
143.04938	0.6
144.05756	0.6
145.02859	0.8
145.06505	1.0
147.04442	2.2
149.05956	3.1
151.03902	1.5
151.07547	1.3
153.01843	10.7
153.07043	1.1
155.04955	0.7
159.08144	0.8
160.05234	0.9
161.05962	2.9
165.06989	1.0
167.08569	0.9
171.02960	1.0
171.04396	1.2
173.05971	0.8
175.07564	1.1
178.07835	1.0
179.08572	1.2
181.05038	1.3
181.06514	1.8
185.06042	1.8
189.05403	0.6
189.07072	1.4
190.07867	1.0
191.08545	0.6
195.08075	1.1
197.06049	1.1
203.03371	3.4
205.06604	1.3
206.07278	0.9
207.08112	3.1
209.08037	1.0
209.14780	0.5
210.06801	1.0
211.07584	0.8
213.05487	1.1
213.09169	1.1
217.06572	1.5
218.07253	1.5
219.08109	2.4
221.06026	1.7
221.09633	1.3
222.06801	0.6
223.07613	1.3
224.08447	1.1
224.57805	0.5
225.05432	0.7
225.09264	0.7
227.06911	0.6
229.04950	5.5
231.08205	0.8
232.08896	0.7
233.06032	1.0
233.09685	1.1
234.06769	4.3
235.07559	6.2
236.08386	0.8
237.09128	1.0
239.07240	0.9
239.10628	0.8
241.05016	1.4
241.08595	1.6
242.05783	5.3
245.05989	1.1
246.06802	0.9
247.07668	2.5
248.08488	0.6
249.09152	4.6
250.09868	0.9
251.07109	2.0
251.10635	0.8
252.07901	1.4
253.05040	2.4
253.08684	2.6
257.04459	42.6
258.05237	15.2
258.09134	0.9
260.08411	0.6
261.09198	1.7
262.06299	1.7
263.07068	5.7
264.07913	1.4
265.08698	2.2
266.09558	1.3
267.07126	0.6
267.10132	3.5
268.07330	0.8
269.04459	1.6
269.08151	0.9
270.05380	1.5
271.06097	1.5
272.10623	1.1
273.11337	0.6
276.07867	0.6
277.08600	7.9
278.09384	4.2
279.06570	1.5
279.10162	2.4
280.07376	1.5
281.11835	0.9
283.06149	0.7
284.10519	0.9
285.03946	4.3
285.11234	1.9
286.04721	21.2
287.05502	41.9
288.05899	0.8
289.08621	0.9
291.10568	0.8
294.08997	2.0
295.06470	0.9
295.09720	4.3
296.10513	2.0
297.04013	4.7
297.11227	0.8
298.12076	1.3
299.05630	2.1
300.06534	1.1
301.07147	0.8
306.08957	1.6
307.09760	1.2
309.11353	2.8
310.11993	8.4
311.05594	4.3
311.12686	0.6
321.11307	1.3
322.11832	1.0
323.05490	1.5
324.72330	0.6
327.05096	3.0
327.12582	0.9
328.13077	9.0
329.06448	0.9
341.06540	3.2
353.10269	0.6
359.07727	1.6
459.10901	1.2
471.10617	0.9
489.11813	1.0
507.12823	2.6
563.13159	0.8
580.13507	1.1
583.15839	2.8
595.15955	6.0
613.17029	24.5
614.16919	0.6
625.17047	2.6
631.18103	100.0
632.18457	3.8
643.18066	6.1
661.34161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56459	0.7
65.03957	0.7
70.06570	1.4
79.05498	1.2
81.03421	0.7
81.07064	1.0
84.08123	0.6
85.02871	0.8
91.05473	1.9
93.07081	0.8
95.05006	0.8
96.79338	0.7
105.07037	0.7
107.04959	1.8
115.05449	1.2
115.62419	0.6
117.03299	0.9
121.06519	1.2
122.03654	2.6
123.04441	1.0
130.97716	0.7
131.04942	0.9
132.05721	0.6
133.06537	1.0
135.04387	1.6
137.02325	0.9
137.05978	19.1
140.98303	0.6
147.04382	1.2
147.08093	0.6
149.05949	3.4
151.03905	2.0
151.07617	0.7
153.01826	11.8
153.07002	1.7
159.04417	1.1
159.07962	0.7
160.05276	1.0
161.05992	4.0
162.06787	0.7
165.06934	1.0
167.07001	4.0
169.06438	0.8
171.02843	1.2
173.05974	0.8
174.06844	1.6
175.07584	1.6
177.05513	0.9
179.08615	1.2
181.04997	1.3
181.06563	2.3
185.05977	1.7
187.07593	1.0
189.07022	2.0
190.07854	0.8
191.08566	0.7
193.06526	1.4
197.06058	0.9
202.07848	0.7
203.03374	5.8
203.06993	0.9
205.06560	1.5
206.07265	1.6
207.08130	3.0
209.06110	1.3
209.07991	1.3
213.05498	1.7
213.09073	2.0
217.06561	2.3
218.07312	1.9
219.08040	2.2
221.06042	1.5
221.09616	0.9
224.08366	0.7
225.05443	0.8
225.09203	1.5
229.04944	9.2
231.06499	0.8
234.06772	4.0
235.07576	4.5
236.08339	1.1
237.05441	1.1
237.09171	0.8
241.05008	1.6
241.08685	1.2
242.05774	5.4
245.06056	1.5
246.06834	0.8
247.07660	2.5
249.09048	3.4
250.09666	0.8
251.07094	2.8
251.10728	1.6
253.05072	2.5
253.08604	2.5
257.04446	63.5
258.05194	13.3
258.09183	0.8
259.06009	8.2
261.09225	1.3
262.06259	2.0
263.06995	4.9
264.08020	1.3
265.05093	1.3
265.08597	2.7
267.10178	3.7
269.04507	1.9
269.08206	0.8
270.05225	0.9
271.06061	1.7
273.11230	1.0
277.08536	7.3
278.09424	4.2
279.06628	1.6
279.10208	2.7
280.07547	1.7
281.08096	1.0
283.06052	1.5
283.09491	1.0
284.10538	1.0
285.03894	11.8
286.04715	25.1
287.05472	33.4
288.05847	0.9
293.04501	0.9
294.08997	2.9
295.06384	1.1
295.09744	3.5
296.10416	2.2
297.03952	4.9
297.11197	1.2
298.12155	0.7
299.05545	1.7
299.12848	1.0
300.06360	1.3
303.04922	4.3
306.08914	1.3
307.09622	1.4
309.11273	1.9
310.11990	9.6
311.05511	15.6
311.12854	1.3
313.07300	0.8
321.11258	2.1
322.12073	1.0
323.05576	2.4
325.10788	1.2
327.04980	3.6
327.12393	1.4
328.13089	7.7
340.13187	2.7
341.06464	3.6
359.07730	0.7
459.10629	1.2
471.10696	1.3
489.12051	0.9
507.13065	2.3
580.13696	0.8
583.15863	2.7
595.15906	6.1
607.16071	0.9
613.17017	28.7
625.16882	4.4
631.18085	100.0
632.18481	1.4
643.18042	8.8
649.04944	0.8
661.36487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25350	1.2
54.51421	1.4
56.96288	2.6
56.96563	42.7
60.11660	1.3
70.48969	1.1
71.49112	2.5
71.95268	3.4
72.96046	2.4
74.97614	1.5
78.37820	1.5
81.07049	2.8
85.48017	1.2
87.63548	1.3
91.05472	2.2
97.61690	1.3
101.27265	1.2
115.00625	1.7
123.01159	1.6
127.99996	1.3
128.98607	2.9
133.01666	2.2
141.02190	2.4
146.99693	4.9
155.03784	3.1
157.01724	2.1
159.03212	2.9
161.01309	1.9
169.01802	1.6
171.03319	4.4
185.04807	7.2
189.04327	6.6
199.06378	8.2
201.04227	1.6
203.05914	11.3
207.05313	1.7
211.06459	2.8
213.07942	9.8
217.07469	15.2
225.07954	6.4
227.09587	3.5
229.07565	3.8
231.06920	2.2
231.08992	12.5
235.14619	1.5
236.09618	1.9
237.08037	3.9
239.09521	7.1
241.07478	1.7
243.09140	6.7
245.10646	6.1
249.08110	4.6
251.09399	6.8
253.11156	2.7
255.06680	2.5
255.09058	20.6
257.10675	4.3
259.12183	2.1
262.46301	1.5
265.11072	2.1
267.09039	33.3
269.10590	49.1
273.10129	16.4
277.11310	1.7
278.10614	1.9
279.09351	2.3
279.12680	3.6
285.10089	48.7
287.11606	21.1
289.11026	1.9
290.10696	2.4
291.12772	10.2
292.12119	9.0
295.12164	3.8
297.13464	1.5
303.11224	7.6
307.12259	4.2
308.11700	3.8
309.13675	9.9
313.13168	2.2
325.13229	2.6
331.15915	9.5
349.16849	53.9
367.17908	100.0
372.18033	2.9
385.18951	12.6
390.19528	18.3
474.36707	1.5
561.31201	4.7
659.38434	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	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06012	1.3
51.49435	1.6
56.96564	42.3
71.60774	3.1
78.51394	1.4
104.72932	1.5
128.98668	2.3
129.57196	1.6
146.99667	3.7
155.03809	3.3
157.01817	1.6
159.03279	2.3
162.71230	1.7
167.03827	2.2
169.01704	2.4
171.03290	5.0
173.04922	2.0
175.02765	1.9
181.05391	1.6
183.03409	2.0
185.04874	6.8
187.02841	1.8
187.06401	1.9
189.04367	6.7
195.06882	3.6
197.04953	1.8
199.06425	7.0
203.05911	8.7
207.05296	1.7
211.06441	2.9
213.08008	6.9
217.07428	11.3
225.07983	5.7
227.09624	2.0
229.07468	4.6
231.06950	2.6
231.08961	13.4
237.08008	4.0
239.09604	7.8
241.07483	2.3
241.11076	1.9
243.09023	4.8
245.10645	3.6
247.08546	2.0
249.08171	3.7
251.09479	7.0
253.11113	2.7
255.09045	21.5
257.10742	4.9
267.09039	27.0
269.10614	44.7
271.12241	2.0
273.09988	15.2
277.11008	2.1
278.10837	2.0
285.10086	45.4
287.11633	24.2
290.10614	2.8
291.12677	7.7
292.12213	6.1
295.12164	3.5
301.86200	1.7
303.10892	2.5
307.12167	2.6
308.11728	3.8
309.13824	10.1
325.13354	2.5
327.14835	3.0
331.15714	9.7
332.15463	2.4
349.16846	53.4
367.17908	100.0
368.18411	2.0
372.18201	1.7
385.18848	10.2
390.19537	21.2
433.79437	1.7
478.91547	1.8
561.30933	4.5
603.18652	1.6
604.05658	1.6
641.37836	1.7
659.38422	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	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01867	4.8
55.05510	11.1
57.03434	23.1
57.07074	1.2
59.04985	1.0
61.00055	0.8
61.02924	82.0
64.55601	1.0
65.03928	1.9
67.05503	36.7
69.03070	1.9
69.03429	33.1
69.03809	1.7
69.07064	9.1
71.01360	4.2
71.04987	6.2
71.20943	2.9
73.02916	27.9
75.04486	1.5
79.05047	1.9
79.05487	25.1
81.03413	22.6
81.07055	39.7
83.01340	1.2
83.04973	5.2
83.08619	2.8
85.02902	100.0
87.04469	4.0
91.03951	55.9
91.05476	16.9
93.07046	28.0
95.04968	4.6
95.08604	28.6
97.02888	75.5
97.06535	2.9
97.10157	1.7
99.04453	12.6
101.02373	6.6
103.03933	9.9
105.07032	10.7
107.04953	1.5
107.08596	14.9
109.02884	13.0
109.06527	2.5
109.10156	12.9
111.04431	3.9
115.03919	8.1
115.05482	1.1
117.05518	2.7
117.06973	5.5
119.08572	10.9
121.10145	14.2
123.08099	1.2
123.11718	5.7
124.78146	0.9
127.03913	34.9
127.07643	0.9
129.05492	5.0
129.06984	2.1
131.08577	9.3
133.10121	9.2
135.11705	9.1
137.09647	1.3
137.13252	2.3
141.05444	1.3
143.08546	1.8
145.04955	24.1
145.10097	6.9
147.06502	1.2
147.11691	6.6
149.13257	7.2
151.11205	1.3
157.10149	2.2
159.06544	1.9
159.11691	6.8
161.13275	4.6
163.06030	8.1
163.14804	2.8
171.06508	1.6
171.11679	2.4
173.13297	6.2
175.14828	2.3
177.12868	1.3
183.06525	5.2
183.11679	1.8
185.13333	1.4
187.14832	3.0
189.12794	1.6
191.14389	1.4
197.13133	1.3
199.14857	2.2
201.07553	4.8
243.21072	4.5
259.20508	2.8
261.22104	15.6
285.22180	1.1
299.24005	1.1
300.84018	0.9
303.23203	2.5
315.23132	1.5
317.24704	2.2
327.23279	2.1
335.25781	60.4
345.24329	1.2
351.23254	1.4
363.25211	3.5
369.24112	2.1
377.26917	1.2
426.24496	1.0
443.27930	2.3
461.28961	2.1
479.29935	6.6
497.31403	1.9
526.02850	1.4
659.36090	1.4
667.52118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.4
56.05044	0.9
56.96566	1.9
60.19020	1.1
61.86524	0.9
69.03423	3.0
70.06590	50.3
70.33320	3.1
71.04979	1.6
72.08154	31.8
75.95159	0.9
84.08135	1.4
85.02887	2.1
86.09705	100.0
88.83975	1.0
91.05474	2.3
93.07062	1.1
95.04967	1.9
97.06506	1.1
97.07645	3.2
98.06017	1.1
98.09698	2.2
103.05463	3.2
105.07019	2.7
107.04955	17.6
109.10175	1.1
112.11255	1.1
115.08689	63.3
115.15432	0.9
116.07108	1.0
116.98427	1.0
117.07046	0.9
120.08103	77.5
127.03937	2.5
131.08551	1.7
138.12762	1.2
140.14349	2.8
141.09087	1.0
141.10233	3.2
142.35965	1.1
145.04889	1.2
146.09674	1.5
154.15892	1.4
157.13368	17.8
165.10240	2.1
169.13387	3.1
174.12787	2.0
179.11775	2.4
183.14983	2.1
185.12859	20.4
185.16492	23.2
185.18153	1.6
188.14436	1.7
196.14476	6.8
213.12802	1.2
213.15958	22.4
214.15569	1.1
217.13425	6.6
219.14839	1.2
225.19524	1.2
233.16435	7.6
233.18243	0.8
239.17685	3.1
241.13060	1.4
247.14403	2.0
253.19084	1.0
253.22832	1.4
259.18030	2.0
261.16052	6.2
262.15491	20.0
271.14609	1.3
284.19693	12.6
287.17624	2.7
287.20999	1.5
297.09717	2.1
298.21332	2.9
309.23093	1.0
315.20596	1.4
332.19867	4.0
333.22989	1.5
343.21548	1.9
360.22919	1.4
361.22440	1.7
369.28729	7.2
375.23834	5.2
386.24374	1.4
397.28036	6.8
398.27570	1.5
431.26321	5.6
445.28110	6.3
446.27658	5.1
474.30884	1.6
499.32755	2.6
516.35547	6.4
527.34027	1.3
537.91193	1.2
544.34924	8.8
545.34436	2.6
559.35950	6.9
608.22321	2.0
626.23407	1.4
630.43219	2.1
640.41895	16.9
641.40405	2.5
658.42853	83.3
659.42786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61627	0.4
57.07074	7.4
58.06590	1.4
61.10552	0.5
67.05499	0.8
68.05012	0.6
69.07060	0.6
69.90891	2.7
70.06593	18.0
71.08632	2.2
74.06058	0.5
81.07069	0.9
85.10180	0.8
88.07630	21.5
93.07030	0.5
95.08601	0.7
97.02869	0.6
98.20757	0.5
102.09184	15.3
121.10120	0.8
137.77368	0.5
149.02341	32.4
149.03310	1.5
175.03954	0.8
177.05492	1.0
193.04958	40.9
212.23837	0.8
219.06572	1.1
225.05611	0.9
237.07565	11.3
256.26349	46.9
257.26807	0.9
269.04526	1.2
297.03912	2.6
300.28955	0.6
313.07132	2.3
341.06549	8.4
341.10291	0.8
359.07590	6.0
385.09198	17.0
429.11810	27.9
430.12698	0.6
487.66638	0.5
640.34625	1.9
658.35815	100.0
659.36041	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01868	4.6
55.05510	10.4
57.03434	23.1
59.04982	1.2
61.02924	83.9
64.59187	1.1
65.03925	2.3
66.92423	1.2
67.05503	33.3
69.03426	32.0
69.07066	8.1
70.50336	2.8
70.50735	1.9
71.01353	4.2
71.04976	5.8
73.02913	31.1
75.04477	2.6
79.05489	31.4
81.03411	25.6
81.03850	2.3
81.07059	28.4
83.04970	4.8
83.08616	3.4
85.02902	100.0
85.06544	3.3
85.99741	1.1
87.04464	5.0
91.03955	55.8
91.05475	43.8
93.07041	29.8
95.04989	7.3
95.08602	26.6
97.02892	79.8
97.06554	4.5
97.10169	1.4
99.04446	16.0
99.08110	2.1
101.02381	9.7
103.03926	7.2
103.05494	2.7
105.07028	34.5
107.04949	2.7
107.08590	14.6
109.02885	12.7
109.06509	2.3
109.10161	7.6
111.04461	2.9
111.08073	1.9
115.03918	7.4
117.05502	3.4
117.07029	12.5
119.08575	25.5
121.10139	14.8
123.08044	2.8
123.11727	2.4
125.09617	1.4
127.03913	31.0
128.06248	1.9
129.05478	6.5
129.06987	8.0
131.08571	13.4
133.06505	1.4
133.10135	17.4
135.08081	1.8
135.11688	8.4
137.09612	1.7
141.05444	1.1
141.06995	1.9
143.08495	6.3
145.04953	23.7
145.10106	12.0
147.08069	2.4
147.11702	12.6
149.09615	4.3
149.13283	6.0
155.07060	1.3
155.08464	1.8
157.10110	5.7
159.06616	2.1
159.11713	9.7
161.09644	1.6
161.13251	22.3
163.06015	6.7
163.11134	2.2
163.14807	4.3
169.10123	2.1
171.06563	1.5
171.11693	10.5
173.13232	8.7
174.37166	1.2
175.11208	3.2
175.14821	10.2
181.10207	1.3
183.06546	5.5
183.11679	2.0
185.13258	6.3
187.14845	2.3
189.12723	2.7
197.13322	1.5
199.14803	6.7
201.07600	3.0
203.14330	2.4
211.14821	2.0
213.12892	1.4
213.16408	1.8
215.17880	2.0
217.19453	1.5
229.07420	1.6
231.09059	1.3
231.17551	1.9
231.21049	1.2
239.17883	1.5
241.19507	12.8
257.18927	3.3
259.20572	7.5
267.11395	1.9
275.20047	1.5
329.14471	2.2
333.24200	40.4
334.24667	1.4
339.59274	1.3
347.15289	1.8
361.23492	1.9
367.18085	2.4
375.25418	1.5
441.26385	2.0
454.62579	1.3
477.28220	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	657.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01868	4.5
55.05497	10.5
57.03436	21.1
61.02925	79.0
61.25754	2.4
61.62868	3.2
67.05225	2.7
67.05503	33.0
69.03435	26.7
69.07065	10.6
71.01346	3.4
71.04976	5.8
71.60547	3.2
72.96083	3.0
73.02916	28.3
76.62331	3.1
79.05495	29.0
81.03420	29.0
81.07043	29.1
83.04948	3.0
83.08601	7.1
85.02905	100.0
91.03957	48.6
91.05482	37.1
93.07040	37.1
95.04958	14.0
95.08615	21.3
97.02890	64.9
97.06553	6.2
99.04457	13.3
101.02374	9.4
103.03903	8.1
105.07033	39.8
107.04946	4.3
107.08598	23.1
109.02863	11.4
109.06504	4.7
109.10153	9.3
111.04427	4.0
111.08051	3.9
115.03915	4.4
117.07022	19.8
118.20532	2.9
119.08579	35.5
121.10110	21.1
123.07979	3.1
123.11662	3.4
126.34174	3.1
127.03909	29.4
129.05510	3.5
129.07001	11.0
131.08519	21.7
133.06500	3.6
133.10129	24.1
135.08047	6.2
135.11693	13.0
137.09564	3.2
140.40219	3.3
141.07005	4.6
143.08562	9.6
145.04945	13.8
145.06482	5.4
145.10078	21.1
147.08067	4.4
147.11710	17.6
149.09625	3.6
149.13162	4.5
155.08542	6.6
157.10117	13.8
159.11699	15.8
161.09619	3.2
161.13255	11.7
163.06041	6.4
163.14841	5.0
165.83405	2.9
169.10168	3.8
171.11696	9.7
173.13260	7.2
175.11145	5.4
175.14793	4.3
181.10124	6.9
183.11755	5.1
185.13231	8.7
187.11200	4.8
189.12788	3.3
197.13193	3.7
199.14835	3.8
213.16588	4.1
217.15816	3.2
241.19556	8.3
241.78677	3.4
242.01778	3.0
249.37741	3.2
259.20538	23.8
267.63013	3.0
273.22256	5.0
275.76926	3.2
292.55453	3.2
295.20566	3.7
301.21573	8.5
313.21716	3.4
315.23285	4.7
333.24197	31.4
343.22626	3.2
345.23880	3.6
349.21576	5.6
367.22916	7.2
385.23810	3.8
387.25354	3.4
417.26263	4.1
441.26190	15.4
459.27481	14.9
477.28345	12.7
495.29611	8.4
657.33826	5.1
657.44110	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	655.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01869	7.2
56.59100	1.0
57.03415	2.2
61.02907	1.2
65.03934	6.1
67.05503	2.7
68.99789	1.7
69.03428	9.3
69.07058	1.4
70.06577	1.8
70.89389	1.4
70.89733	1.9
71.01353	4.7
71.04980	1.2
73.02909	2.3
77.03928	1.6
78.04681	1.1
78.46851	0.8
79.05492	9.1
81.03423	9.7
81.07045	2.7
82.04149	1.3
84.08137	1.3
85.02428	1.1
85.02907	19.8
85.06540	1.1
86.09695	1.8
87.00819	7.4
91.05479	16.1
93.03403	1.4
93.07026	3.5
95.04968	11.0
95.08587	1.1
97.02908	5.9
97.06537	1.4
99.04441	2.7
101.02393	1.0
103.05469	20.1
105.01865	3.5
105.03408	6.4
105.04521	1.2
105.07008	8.1
107.04954	56.0
107.08590	2.2
108.05723	0.9
109.02872	6.9
109.06508	8.6
110.03674	2.5
111.04422	4.1
115.05476	5.8
116.06259	1.4
117.01868	1.0
117.07014	2.6
119.01288	0.9
119.04958	7.1
120.05735	2.7
121.06504	9.3
122.03651	1.9
123.04416	10.1
123.08063	1.2
125.05990	3.5
126.65480	1.0
127.03205	0.9
127.03931	9.4
129.01802	1.0
129.05267	0.8
129.07018	1.7
131.04939	9.0
131.08542	1.6
133.02846	11.2
133.06502	8.5
135.04388	3.1
135.08052	14.0
136.05170	2.1
137.05977	39.3
138.03082	1.0
138.06712	2.9
139.03906	1.9
140.04684	4.3
145.04980	3.7
145.06479	1.9
145.07556	1.3
147.03403	0.8
147.04376	5.9
147.11467	1.2
147.31815	0.9
148.05167	3.1
149.05974	10.2
149.09563	1.6
151.03882	2.8
151.07541	10.2
153.05473	17.4
154.06207	4.2
155.07045	11.5
157.06522	0.9
159.02856	3.8
161.05991	20.1
161.09615	7.7
163.03859	1.8
163.07541	77.2
165.05472	30.5
165.06879	1.9
165.09192	1.0
166.06252	4.5
167.07024	8.8
171.06500	4.2
174.06686	2.1
175.07538	6.0
176.04713	1.0
177.03983	1.2
177.05434	7.2
177.09000	1.5
179.07014	6.1
180.04170	1.4
180.07802	17.2
181.04961	91.9
181.08569	47.7
182.05521	1.4
182.09323	2.5
183.06523	9.9
189.05447	5.0
189.09094	13.7
191.06999	2.6
193.04950	18.6
195.06667	1.9
195.10126	1.1
196.07320	2.1
197.08066	8.1
207.04767	1.7
207.06564	17.1
207.10159	31.4
208.07307	43.2
209.08084	11.0
217.08572	0.9
225.07576	100.0
226.08350	24.1
226.10027	0.6
227.09044	1.3
231.04953	1.7
235.09715	3.6
279.12262	0.9
313.10776	1.9
313.14273	1.5
327.12247	3.1
329.13846	1.9
339.12393	1.7
341.13843	1.5
343.11655	1.3
343.15356	2.2
345.13318	1.5
357.13330	8.1
359.14874	16.1
361.16379	2.6
371.14893	4.3
377.15979	3.3
389.15915	17.9
399.09222	0.9
407.11771	2.6
407.16980	52.7
586.87311	1.0
655.16083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18164	0.3
53.56040	0.3
55.05510	1.5
57.07080	0.9
58.06339	0.4
58.06602	5.6
67.05488	0.4
69.07068	1.6
69.30817	2.3
69.31240	0.9
70.06586	0.4
70.93310	0.3
72.08151	3.2
73.06557	2.0
80.11414	0.3
81.07020	0.3
83.04987	1.7
84.08153	0.4
85.08887	0.3
86.09702	29.2
98.09681	0.5
100.11253	100.0
101.06030	2.3
101.06641	0.4
101.11596	0.7
109.10155	0.4
112.07643	0.5
112.74835	0.3
128.10738	0.5
140.14287	0.3
146.11783	2.8
154.12248	0.6
154.15913	3.0
168.13853	1.2
172.13356	1.3
186.14876	1.2
188.07401	0.3
196.13463	0.5
200.16466	1.6
200.34674	0.3
214.14404	1.3
225.16020	0.6
228.15956	5.6
228.18121	0.4
282.20569	0.4
285.21695	4.7
297.05243	0.3
309.21701	0.4
313.21661	0.3
313.24835	7.5
327.22711	0.8
341.24332	13.1
381.27893	0.4
409.27029	1.0
426.33228	0.8
454.32748	2.7
460.59088	0.4
464.63934	0.4
472.33774	4.5
498.35394	0.4
526.35120	0.6
540.36334	0.8
625.45325	30.7
626.45575	0.7
653.44867	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	654.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26893	2.0
56.96565	44.9
62.92677	2.2
71.60130	2.0
71.60519	2.5
71.95246	3.5
77.25161	2.1
77.43887	2.0
83.22520	1.9
84.96030	2.1
93.12241	2.0
96.26160	2.0
100.99164	2.1
128.98625	4.1
146.99605	3.8
151.12418	2.1
155.03712	3.5
159.03217	3.4
171.03259	4.6
183.56651	2.4
185.04810	4.9
189.04309	6.4
199.06439	7.0
203.05875	12.0
205.83223	2.0
211.06377	4.5
213.07941	8.6
217.07430	16.6
225.07950	5.7
225.57909	2.2
227.09612	2.6
229.07454	3.6
231.06923	3.5
231.08942	14.8
237.07919	3.9
239.09576	6.4
243.09010	7.7
245.10524	3.0
249.08064	5.5
251.09579	10.9
253.11026	3.0
255.09084	21.6
257.10623	4.7
267.09042	32.9
269.10608	66.6
273.10098	16.2
278.10626	3.5
285.10089	53.0
287.11646	27.8
290.10550	3.3
291.12656	3.9
292.12155	8.3
303.11169	4.9
308.11612	3.7
309.13763	8.5
331.15829	9.1
349.16852	46.1
353.51633	2.1
367.17896	100.0
376.71088	1.9
385.18896	12.5
390.19513	16.7
556.29297	8.7
654.36902	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	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01860	4.0
55.05509	28.3
57.03433	11.0
58.99341	3.4
59.04989	3.4
65.03918	4.4
65.33965	3.4
67.05502	100.0
69.03426	24.7
69.07061	16.1
71.04972	4.0
75.72657	3.3
78.68458	3.7
79.05495	33.3
81.03410	38.0
81.07054	65.5
83.04967	14.3
83.08611	12.3
85.02969	4.3
85.06514	3.6
91.05470	35.5
93.07037	29.0
95.04958	11.8
95.08608	44.8
97.02871	11.2
97.06532	6.3
97.10174	16.6
98.21581	8.0
105.07018	25.8
107.08578	20.7
109.02872	5.6
109.06486	4.6
109.10159	61.7
111.04423	9.6
111.08038	5.7
117.07017	9.7
119.08582	25.6
121.06483	3.8
121.10128	19.3
123.11781	4.2
125.09616	7.7
127.03912	8.2
129.05467	13.2
129.06998	9.3
131.08557	14.3
133.01917	3.3
133.06535	3.9
133.10124	10.5
135.11693	7.4
137.09561	5.1
139.11160	3.4
143.08548	9.4
145.10123	10.3
147.11696	8.3
149.09602	4.3
149.13257	6.6
155.08452	3.2
155.10675	5.3
157.10173	6.1
159.11714	10.7
161.13237	3.8
161.91307	3.2
163.11079	5.5
169.10103	4.8
171.11610	7.2
173.11772	17.3
173.13098	4.8
175.14868	5.1
183.11687	5.3
187.14827	4.6
189.11192	9.0
213.43616	3.8
227.12759	9.0
229.14351	36.9
245.13611	6.9
261.22180	4.3
301.21686	5.3
333.23837	3.6
335.25790	6.9
337.27328	7.9
351.23059	5.7
369.24332	11.5
387.25214	8.1
405.26541	5.2
443.28128	4.4
461.28781	7.2
489.35938	4.4
597.37744	7.6
615.38708	7.6
633.40186	18.2
651.40491	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.05511	31.6
56.52355	3.6
57.03430	12.1
57.07089	3.6
59.04993	3.7
60.13834	2.6
65.03928	5.7
67.05503	100.0
69.03432	27.0
69.07069	16.6
69.71466	21.6
71.04990	9.6
77.79085	2.7
79.05491	30.5
81.03418	63.8
81.07061	68.1
83.04977	30.4
83.08626	18.5
85.02899	6.9
85.06561	5.9
86.16386	2.7
91.05480	30.0
93.07047	34.2
95.04965	9.1
95.08614	45.8
97.02890	23.9
97.06550	3.4
97.10182	17.6
98.21622	3.0
99.04417	6.7
105.07043	18.5
107.04945	6.6
107.08597	25.5
109.02882	9.8
109.06500	6.4
109.10152	58.4
111.04481	9.0
111.08054	5.3
117.07027	12.1
119.08572	21.2
121.06471	3.5
121.10151	21.1
123.11729	7.1
125.09615	17.2
127.03923	15.4
129.05484	16.2
129.07008	6.8
131.08568	15.3
133.10172	17.1
135.08037	5.2
135.11649	7.3
137.09637	3.9
143.08597	7.2
145.10130	10.7
147.08009	3.4
147.11732	11.7
149.13290	4.6
153.09052	4.7
157.10129	7.1
159.11711	12.3
161.13365	3.4
169.10083	6.2
171.11696	9.1
173.11742	18.3
173.13196	5.9
180.40874	3.0
181.10074	3.5
183.11671	4.5
185.13315	4.1
189.11176	16.2
197.13264	3.8
227.12814	18.3
229.14275	20.9
245.13860	7.7
251.60307	3.0
261.22144	5.5
267.85068	3.1
289.21585	4.9
299.14871	4.8
301.21506	5.4
312.10486	3.7
335.25772	9.2
337.27441	15.2
345.24612	3.6
351.23245	4.8
369.24277	9.8
371.17227	6.5
373.18671	12.0
387.25317	6.4
479.29858	5.6
489.35611	4.6
507.36987	7.3
535.67230	3.7
567.62360	3.9
597.37830	4.0
615.39050	5.8
633.40369	18.4
651.40759	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.05286	3.0
55.05508	29.6
57.03430	9.3
57.07059	5.4
65.03944	3.2
67.05500	100.0
68.99583	2.7
69.03114	3.3
69.03428	30.4
69.07056	17.8
69.73650	5.0
69.74046	16.9
71.01355	2.6
71.04987	8.7
71.10988	2.3
79.05483	34.2
81.03408	62.1
81.07047	64.5
83.04974	29.1
83.08599	16.2
85.02882	7.2
85.06491	4.8
91.05477	32.7
93.07036	43.8
95.04957	7.9
95.08597	48.2
97.02887	22.5
97.06544	4.1
97.10159	13.8
99.04449	6.2
105.07033	23.6
107.04980	4.1
107.08592	27.8
109.02875	8.7
109.06540	7.0
109.10152	67.8
111.04443	10.3
111.08101	4.7
117.07011	15.7
118.31596	2.5
119.08566	26.9
121.06516	3.9
121.10145	18.2
123.08012	4.5
123.11704	9.1
125.09606	16.5
127.03902	13.3
129.05484	23.2
129.06990	5.0
131.08569	23.1
133.06500	5.4
133.10136	13.8
135.08049	4.6
135.11658	10.1
137.09599	4.0
143.08566	9.2
145.06480	3.2
145.10146	14.3
147.11690	5.7
149.13235	6.5
155.08543	4.4
157.10161	5.2
159.08052	4.3
159.11703	7.8
161.09651	3.8
161.13280	4.4
164.36804	2.8
167.08742	3.7
169.10031	4.8
171.11661	9.5
173.09572	3.2
173.11740	20.9
173.13216	5.8
175.14793	3.5
181.10223	3.5
182.24706	2.6
183.11694	3.7
185.13283	6.0
187.14818	6.1
189.11230	20.6
197.13286	3.0
209.13387	2.8
227.12744	18.0
229.14348	28.8
245.13715	6.3
261.22174	9.4
263.23730	6.1
269.15234	3.3
277.21680	5.1
289.21597	5.5
299.14935	5.8
301.21704	3.4
313.21640	3.1
327.23318	3.6
335.25781	11.5
337.27228	20.7
341.24542	3.7
345.24310	3.2
351.23013	5.3
369.24271	12.7
371.16919	9.4
373.18719	5.6
387.25275	8.9
405.26175	3.5
461.29074	5.3
479.29596	3.6
489.35727	6.2
507.36505	5.3
541.73132	2.9
597.38507	3.1
615.39343	6.8
633.39734	20.2
651.40863	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90538	3.4
53.03937	4.4
55.05516	32.7
57.03435	10.2
67.05503	100.0
69.03423	23.0
69.07068	16.4
71.04989	5.7
71.59761	5.5
76.88659	3.6
79.05480	32.9
81.03415	54.1
81.07056	59.3
83.04972	19.4
83.08611	10.0
85.02910	6.9
90.41286	3.9
91.05467	24.5
93.07037	35.4
95.04967	9.1
95.08604	39.6
97.02901	17.9
97.06515	4.6
97.10176	19.7
99.04474	5.7
105.07030	17.2
107.04974	4.9
107.08592	28.4
109.02901	8.0
109.06519	7.2
109.10161	62.1
117.07023	15.5
119.08569	23.8
121.10165	12.8
123.08044	4.1
123.11726	4.5
125.09637	14.5
127.03904	7.0
129.05547	8.3
129.06990	7.5
131.08549	20.3
131.09402	3.6
133.10136	16.3
135.08073	8.3
135.11690	7.5
137.09583	7.4
141.66681	3.9
143.08539	5.3
145.10095	9.9
147.11700	7.1
155.08583	5.9
157.10152	9.8
159.11681	8.9
161.13292	7.0
171.11673	4.8
173.11746	12.9
173.13234	6.4
187.14854	4.7
189.11253	13.2
195.11682	4.0
227.12793	16.1
229.14345	20.0
239.59566	3.8
247.05043	4.6
261.22037	5.2
301.21555	5.7
316.13263	5.2
330.04526	3.7
335.25818	7.8
337.27380	11.4
351.22937	3.8
373.18372	7.8
387.25201	6.9
489.36197	5.6
615.39551	6.3
633.39679	14.6
651.40948	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	650.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78839	0.3
53.41509	0.2
55.05518	0.3
56.58684	0.3
56.97602	0.3
57.07073	3.1
69.03427	0.4
70.15656	0.8
83.08611	0.5
85.02911	1.2
97.02847	0.3
97.34248	0.3
100.11254	100.0
101.11622	0.3
127.03941	0.7
129.10268	0.3
145.04948	0.8
146.11755	70.3
148.93982	0.3
163.03891	2.4
163.58466	0.3
181.05011	1.6
181.06436	0.3
211.91150	0.3
250.36383	0.4
250.78352	0.3
281.75919	0.3
355.43420	0.3
375.31345	0.3
524.45599	0.4
595.14362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.05510	6.2
57.07077	3.7
67.05508	13.5
68.45229	1.8
69.03423	2.1
69.07051	9.3
69.97125	9.7
71.04987	2.2
73.02928	2.4
79.05483	12.3
81.03432	1.9
81.07060	34.3
83.08632	8.3
85.02456	1.9
85.02892	10.2
85.06534	2.1
91.05468	8.6
93.07048	20.7
95.01333	17.4
95.04987	4.7
95.08611	42.0
95.09219	2.0
97.06547	7.2
97.10143	3.9
98.20837	2.2
99.08079	2.8
105.07036	30.7
107.08596	39.6
109.10152	41.9
111.08070	3.6
113.02387	4.2
117.06995	4.3
119.08575	35.7
119.09435	1.7
121.10146	30.3
123.08081	2.6
123.11681	11.8
125.09638	3.7
131.03400	1.8
131.08553	12.2
133.10132	34.5
135.11707	17.8
137.08603	1.8
137.13254	3.3
139.11156	3.9
141.01833	40.0
141.02892	3.3
143.08536	3.7
144.09372	2.0
145.10123	33.1
147.11681	24.7
149.09644	2.5
149.13252	15.2
157.10161	7.8
159.11705	32.8
161.13254	20.2
163.11162	2.5
163.14813	10.0
165.12796	2.5
169.10178	2.1
171.11740	7.8
173.13260	18.1
175.14842	21.9
177.12825	2.2
177.16365	14.0
185.13281	6.1
187.14839	22.9
189.16377	16.0
191.14317	5.5
191.17941	9.5
193.15933	1.9
199.14851	7.4
201.16389	31.0
203.14378	2.6
203.17963	22.7
205.15868	8.9
207.17534	4.5
213.16344	9.3
215.17949	17.9
217.15981	4.4
217.19554	5.9
219.17453	13.7
221.19025	3.7
227.17982	4.4
229.19540	7.2
231.17464	4.2
233.18921	11.0
241.19543	3.3
247.20569	2.8
253.19400	3.2
255.21104	2.5
259.20718	2.7
261.22141	2.3
267.21085	2.0
283.24127	2.6
285.22589	1.9
295.24283	3.2
313.25150	4.3
315.26831	3.3
329.28391	2.6
343.39648	1.9
365.28198	2.1
377.31879	8.7
393.35361	3.9
395.33115	7.9
403.33609	9.2
421.34653	100.0
439.35736	96.9
457.36667	18.2
509.45975	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29612	0.1
55.01870	0.3
56.21120	0.1
57.03439	0.4
57.50061	0.1
61.02921	0.3
68.99809	0.3
69.03429	19.5
71.04987	0.5
79.05500	0.2
85.02905	6.1
97.02893	53.1
98.03249	0.2
100.05351	0.2
107.05006	0.3
107.60240	0.1
111.00810	0.6
115.03943	1.9
121.02870	2.1
121.10119	0.2
127.03909	1.2
129.05515	0.2
133.02863	0.3
137.02344	0.5
139.03938	0.2
147.04402	0.4
149.25676	0.2
153.01826	2.3
157.04967	15.4
158.05367	0.2
165.01811	1.4
183.02885	0.5
213.05492	1.0
217.07092	4.6
231.06531	0.5
241.04982	0.6
258.05191	0.8
259.06036	0.3
269.04398	0.2
287.05493	100.0
288.05814	1.1
299.05539	0.3
365.06528	0.5
383.07996	0.2
383.17349	0.6
433.11349	3.9
503.12347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61040	0.2
55.44969	0.2
57.74166	0.3
65.39603	0.2
69.03429	0.2
70.06590	0.7
70.59672	0.3
74.50378	0.3
85.02923	0.6
86.09731	0.4
91.05490	0.3
105.07055	0.5
113.50119	0.3
127.03951	0.5
129.28108	0.3
137.32832	0.3
141.44781	0.3
147.04466	0.5
167.07101	0.4
185.04271	0.7
187.07823	0.3
191.07124	0.3
203.05261	1.5
227.05606	0.3
259.07980	1.4
269.12546	0.4
285.10208	0.3
292.76300	0.3
325.16275	1.8
334.62564	0.3
342.28265	0.3
347.09656	1.1
363.08887	0.3
365.06699	0.5
365.10483	2.0
421.13214	1.3
487.21527	19.4
488.22131	0.3
619.40887	0.6
641.52533	0.3
649.26752	100.0
650.27631	1.8
654.90417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57299	1.6
56.96565	4.9
69.03425	2.3
69.34121	15.7
70.06595	11.4
72.08133	3.4
84.04517	2.0
84.08139	4.5
84.96049	4.5
85.02900	2.9
86.09705	4.9
91.05486	2.3
95.04963	2.2
97.02910	1.7
98.97583	1.9
107.04961	12.2
109.02840	1.7
129.10245	1.8
143.08528	2.1
169.10387	1.6
171.11719	2.7
211.02904	1.9
223.02780	2.0
227.02147	2.2
237.02846	4.7
245.03357	3.5
248.38680	1.8
269.03308	3.5
279.33054	1.5
346.76047	1.6
349.06067	1.8
452.12927	3.9
487.21921	1.7
563.20502	6.7
605.22089	38.8
649.14026	100.0
650.15649	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	647.1944
Annotation	Pyranoamentoflavone 7,4',4'''-Trimethyl ether
Peak:m/z	Relative Intensity
52.40666	0.3
56.96573	0.3
57.03413	0.3
60.04522	0.3
67.21902	0.2
70.06595	2.6
71.04996	0.8
71.60278	0.5
72.08182	0.3
81.07057	0.3
84.04511	0.7
85.02905	1.3
86.09709	1.2
91.05481	0.4
120.08097	1.4
122.54009	0.3
123.81260	0.3
124.25911	0.3
127.03842	0.4
129.05493	0.4
137.05988	0.4
155.08244	0.3
156.78461	0.3
163.03915	1.4
321.09671	0.3
334.44006	0.3
501.13760	4.6
519.13330	0.4
527.27948	0.3
647.19440	100.0
648.20282	1.4
659.64185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57299	1.6
56.96565	4.9
69.03425	2.3
69.34121	15.7
70.06595	11.4
72.08133	3.4
84.04517	2.0
84.08139	4.5
84.96049	4.5
85.02900	2.9
86.09705	4.9
91.05486	2.3
95.04963	2.2
97.02910	1.7
98.97583	1.9
107.04961	12.2
109.02840	1.7
129.10245	1.8
143.08528	2.1
169.10387	1.6
171.11719	2.7
211.02904	1.9
223.02780	2.0
227.02147	2.2
237.02846	4.7
245.03357	3.5
248.38680	1.8
269.03308	3.5
279.33054	1.5
346.76047	1.6
349.06067	1.8
452.12927	3.9
487.21921	1.7
563.20502	6.7
605.22089	38.8
649.14026	100.0
650.15649	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	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29081	0.5
53.03952	1.4
55.01870	0.6
55.05510	4.9
56.78922	0.5
57.03210	0.5
57.03434	4.8
61.02922	7.1
67.05502	6.4
69.03425	3.1
69.07043	2.4
70.06567	1.1
70.68410	0.8
70.68784	0.9
71.04981	1.6
73.02930	2.8
77.85754	0.5
79.05479	6.6
81.03415	32.0
81.07056	7.4
81.97438	0.5
83.04970	6.3
83.08133	0.8
83.08613	12.5
85.02899	18.1
85.06548	0.8
86.09643	0.5
87.04465	0.9
88.22990	0.5
91.03960	7.2
91.05483	9.5
93.07028	5.5
95.04968	11.2
95.08578	2.7
97.02882	6.0
97.06515	1.6
97.10162	1.6
99.04421	1.4
105.07024	7.9
107.04951	11.5
107.08601	2.9
109.02871	0.8
109.06505	1.7
109.10168	0.7
111.04436	1.5
111.08083	6.3
113.06010	1.1
115.05419	0.7
117.07008	0.7
119.08571	8.3
121.06499	1.1
121.10130	3.4
123.04381	2.1
123.08032	0.6
123.11741	0.6
127.03909	4.6
129.06987	4.4
129.10185	0.9
131.08572	4.0
133.06508	1.6
133.10143	4.9
137.05931	1.3
145.04961	3.4
145.10181	1.0
147.08031	1.7
147.11688	6.8
149.09662	2.6
157.10110	7.6
161.06062	0.6
161.09575	0.5
163.06042	4.0
163.07310	0.9
165.12726	2.0
175.09744	0.8
175.11179	9.8
191.07104	0.8
193.12234	37.2
211.13287	32.5
229.14380	1.9
246.14738	1.0
267.15903	15.6
279.08640	1.1
285.16949	100.0
286.17218	1.3
303.17743	0.9
333.11871	0.7
429.21167	1.4
573.46674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	1.0
55.05510	4.3
56.96569	0.3
57.03434	4.4
61.02926	5.3
65.03939	0.5
67.05502	6.0
69.03432	2.4
69.07073	2.1
70.06580	0.8
71.04990	1.9
73.02920	1.9
79.05493	6.7
79.25458	0.3
81.03416	25.2
81.07058	7.4
83.04977	5.9
83.08136	0.5
83.08616	9.5
85.02903	14.9
85.06536	0.8
86.09715	0.4
91.03951	5.1
91.05482	9.7
93.07036	5.7
95.04967	9.3
95.08613	3.4
97.02885	4.3
97.06505	1.4
97.10157	1.2
99.04453	0.4
99.08131	0.4
103.03941	0.4
105.07031	6.8
107.04951	2.6
107.08578	2.1
109.02852	0.5
109.06516	1.8
109.10146	0.8
110.23650	0.4
111.04463	1.1
111.08078	4.5
113.05996	0.7
115.05499	0.4
117.07047	0.7
119.04974	0.7
119.08572	6.4
119.09352	0.6
121.06456	1.1
121.10136	2.8
123.08061	1.3
125.09605	0.5
127.03932	1.8
129.07018	3.4
131.08571	4.1
133.06479	1.5
133.10141	4.0
135.08025	0.4
137.09619	0.9
142.07765	1.3
145.04962	2.1
145.10123	0.6
147.04413	0.4
147.08009	1.1
147.11691	6.1
149.06012	0.6
149.09615	2.8
150.06761	0.5
157.10123	6.3
163.06017	2.8
163.07309	0.6
163.11064	0.4
165.12766	1.4
167.07094	0.7
175.11186	6.3
186.04854	0.4
193.08665	1.9
193.12248	21.3
209.08150	1.8
211.09836	3.3
211.13290	18.7
212.13597	0.4
229.14362	0.6
252.69878	0.3
267.15921	7.7
285.16956	100.0
286.17459	1.8
393.19028	0.4
429.21277	1.4
447.22269	2.9
657.60144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
53.93664	2.7
55.01862	7.4
55.05517	17.8
57.03439	13.6
57.68501	2.3
63.11123	2.2
65.03934	6.2
67.05502	55.3
69.03441	2.4
69.07073	14.9
70.66293	7.4
70.66650	4.3
71.05001	3.6
79.05490	37.3
81.03429	3.1
81.07053	49.9
81.08917	2.3
83.04976	5.8
83.08595	8.0
85.06533	9.8
88.84074	2.4
91.05473	26.8
93.07042	39.6
95.04956	32.1
95.08607	31.0
97.06527	6.8
97.10171	5.8
99.08089	3.3
105.07021	23.7
107.04952	8.2
107.08577	21.3
109.06519	49.1
109.10140	13.3
111.08050	3.4
113.05985	23.3
117.07033	12.7
119.08582	20.0
119.46691	2.4
121.06490	4.2
121.10129	16.3
123.08067	5.8
123.11673	5.3
125.09594	4.1
127.00742	2.6
129.06996	7.0
131.08536	19.1
133.06474	3.3
133.10158	12.4
135.08046	32.9
135.11681	12.1
143.08545	10.3
145.10114	12.2
147.08052	5.4
147.11670	7.4
149.09605	5.0
149.13235	4.8
157.10092	6.1
159.07993	3.2
159.11682	8.2
161.09624	7.2
161.13232	4.2
163.11115	3.5
171.11726	3.4
173.13190	3.7
175.11150	3.8
177.12770	4.1
185.13264	2.9
187.14743	2.8
189.11226	4.6
189.16302	3.3
199.14743	3.6
217.15775	12.9
227.12735	4.6
233.15448	4.2
235.17067	2.8
245.19090	4.1
255.17336	3.3
259.20294	2.4
261.22067	2.9
273.18500	40.3
275.19958	5.3
277.21667	2.6
291.19516	100.0
292.19894	2.6
309.20453	4.1
335.25760	45.6
347.21979	4.0
365.23203	20.5
571.41632	2.9
607.43365	8.6
625.44592	41.3
643.24207	5.3
643.44586	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02530	2.7
53.03934	5.4
55.01865	9.7
55.05307	2.9
55.05513	35.9
57.03212	3.0
57.03437	29.2
57.07054	4.4
60.10214	3.0
67.05503	97.4
69.07061	29.6
71.04980	9.7
71.21111	5.0
71.21442	3.6
79.05060	5.0
79.05493	87.6
81.03412	4.4
81.07058	100.0
83.04971	7.5
83.08616	15.8
85.06541	9.2
90.27348	2.8
91.05477	67.1
91.46627	3.1
93.07040	90.0
95.04966	19.8
95.08606	60.5
97.06509	11.2
97.10155	7.9
99.08076	10.2
105.07027	57.2
107.04936	13.3
107.08587	49.8
109.06502	14.3
109.10152	33.5
111.08089	5.7
115.07573	4.2
116.22435	3.0
117.07024	23.7
119.08585	47.9
121.06472	8.5
121.10136	28.9
123.08058	13.1
123.11704	9.6
127.07533	5.2
128.06230	5.3
129.07040	16.2
131.08574	34.7
133.06445	6.1
133.10143	28.9
135.08057	11.7
135.11722	14.8
137.09555	7.4
137.87325	3.2
140.58189	3.2
143.08545	15.7
145.06476	4.5
145.10109	34.2
147.08037	9.0
147.11661	19.1
149.09610	13.0
149.13254	7.8
151.11192	4.0
155.08549	6.8
157.10104	13.8
159.11667	19.7
161.09604	9.5
161.13229	12.8
163.11218	5.4
167.08458	2.9
169.10078	7.0
171.11670	10.1
173.13264	15.1
175.11171	8.8
175.14888	8.1
181.10170	3.6
183.11732	8.1
185.13269	7.3
187.14766	6.5
189.16408	3.5
195.11781	6.6
197.13188	5.1
199.14824	7.3
201.12749	4.9
201.16443	3.9
211.14891	4.5
213.16389	3.9
217.15956	17.4
219.17342	5.1
227.12721	3.3
227.17947	6.2
235.16937	4.4
237.16299	5.1
241.19511	4.1
245.19043	7.5
255.17369	8.2
259.20572	4.6
263.20020	6.8
273.18475	57.4
275.20047	6.6
291.19534	56.3
335.25784	51.3
347.22025	8.0
365.23233	25.7
515.38385	4.4
551.40997	3.8
592.91870	3.5
607.43457	15.3
625.44757	50.2
643.45740	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	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.9
55.05442	3.1
57.03373	1.6
58.97205	0.7
59.32058	0.6
60.62468	0.6
63.02769	0.6
67.05424	6.8
69.06985	2.5
71.04904	1.0
71.10950	0.7
71.33801	1.5
79.05480	6.2
81.03358	0.7
81.07048	8.3
83.08555	1.2
87.22704	0.6
90.58656	0.6
91.05387	3.1
93.07039	6.8
95.04930	1.4
95.08618	5.8
97.06427	2.0
97.10099	1.2
99.07989	1.4
105.06932	3.0
107.08585	3.2
109.06413	1.9
109.10060	2.4
111.08004	0.7
119.08468	2.7
121.06384	0.7
121.10012	2.2
125.09557	1.5
131.08469	2.3
133.10023	2.6
135.08034	1.0
135.11617	1.5
143.08450	0.9
145.10022	1.7
147.07938	1.1
147.11601	1.0
157.10074	0.8
159.11639	1.0
161.13060	0.8
163.11086	0.9
171.11598	1.2
173.13127	1.0
189.11116	0.9
200.43398	0.8
273.18338	1.6
291.19492	2.1
335.25748	1.8
340.67978	0.7
365.23160	1.0
396.12189	1.3
397.12723	2.1
398.13947	1.1
410.13687	2.9
411.14481	6.5
412.15207	4.3
413.15851	2.6
423.14963	0.9
424.15359	2.8
425.11459	0.9
425.16302	11.2
426.16824	10.2
427.17413	2.6
428.18610	1.3
438.12076	3.2
438.17880	1.3
439.13458	14.7
440.13547	1.5
440.19266	4.9
441.19287	35.9
442.19379	2.4
452.14066	4.0
453.15222	16.0
454.15976	5.1
457.15121	1.6
467.17136	26.7
468.17889	17.3
469.18842	12.7
471.16534	1.6
472.17719	0.7
480.17560	1.1
481.14627	13.0
482.15250	4.2
485.18024	1.2
486.18954	0.8
495.16605	2.6
496.17078	16.0
497.17661	2.5
498.18942	0.9
509.17969	2.6
512.20667	1.2
514.22076	2.4
522.17548	0.9
523.19543	1.7
527.23450	3.4
540.20337	1.2
555.22400	31.4
556.22607	1.9
583.21893	100.0
584.22186	7.4
587.25000	2.5
611.21344	2.6
615.24591	14.6
625.44824	2.1
643.23907	64.5
643.46368	3.4
644.24304	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	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01876	3.4
56.96555	1.1
65.03947	2.7
67.05506	3.5
69.03432	1.5
69.07094	1.3
69.36992	5.0
69.37410	6.9
70.06583	2.5
71.01390	1.3
72.08138	1.0
77.03928	1.4
79.05492	12.6
81.03419	2.1
81.07058	4.2
83.04942	1.2
83.08636	1.3
85.02885	5.5
86.09709	2.2
91.05476	11.2
93.07053	4.3
95.04981	9.0
95.08603	6.8
97.02914	1.2
103.05471	26.7
105.03418	3.3
105.04494	1.8
105.07034	72.5
106.04180	2.5
107.04971	7.5
107.08607	4.6
109.06509	1.1
109.10160	4.6
110.03698	1.6
112.11227	1.3
115.05451	18.8
117.07024	5.8
118.04176	10.0
119.04926	7.7
119.08576	6.1
121.06523	2.7
121.10170	3.3
122.03642	1.4
123.04443	6.6
125.05979	2.1
127.03930	1.5
128.06245	1.9
129.07007	1.3
129.13924	1.3
130.04161	2.0
131.04915	19.4
131.08595	3.8
132.05707	3.2
133.02882	7.6
133.06500	50.9
133.10115	5.9
135.04410	1.5
135.08095	1.5
135.11716	3.6
137.05983	14.7
140.04646	1.2
143.04964	1.6
143.06033	3.5
143.08635	1.7
145.06502	6.6
145.10136	3.5
147.04419	10.6
147.08058	2.0
147.11699	3.5
148.05194	10.5
149.06032	5.8
149.37788	1.2
151.07541	3.2
152.04649	1.5
153.01819	6.0
153.05496	2.0
153.54654	1.0
155.06006	1.4
155.07100	1.8
157.10153	2.1
159.11725	2.9
161.05986	80.0
161.13266	2.6
162.06825	3.0
163.03938	2.2
163.07555	20.0
165.05533	2.5
167.07054	36.3
169.10077	1.8
171.11708	1.8
172.05299	1.8
173.06009	8.1
173.13280	2.8
175.07547	4.0
175.11186	1.3
176.04732	3.8
177.05511	3.1
179.03444	2.8
179.07076	5.2
181.04956	25.6
181.06480	2.4
181.08627	1.6
183.06583	2.9
183.11592	1.2
185.06001	2.1
185.13286	1.6
187.07562	2.8
187.14803	1.2
189.16409	3.4
191.07037	100.0
193.08629	24.4
193.10300	2.2
195.06551	3.8
195.11642	1.6
203.07005	1.7
204.10223	2.4
205.08662	1.3
205.10539	1.6
206.10811	1.8
207.06557	1.9
209.08165	4.5
217.08627	1.5
219.08170	1.5
221.11481	1.2
225.07588	4.5
229.04918	2.6
233.08101	2.9
235.07487	1.2
235.09691	3.9
259.06055	1.3
269.08136	1.2
272.10480	1.7
273.04031	1.7
279.10031	1.3
287.05591	1.3
297.11060	1.2
311.05493	7.8
311.12711	1.1
313.06970	2.3
325.10901	1.4
357.13257	1.8
385.12863	11.1
387.14456	1.8
401.18741	1.3
405.31375	2.3
417.15320	4.9
449.30621	2.5
461.12552	2.4
467.31558	2.0
473.12302	1.6
489.11835	4.6
497.30432	1.4
544.61206	1.2
585.17755	1.4
613.16809	3.9
625.33881	1.7
643.16168	2.1
643.24133	7.0
643.34119	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01861	9.0
55.05503	10.7
57.03432	9.0
61.02922	8.4
61.97205	1.3
62.75990	1.0
67.05499	15.9
68.99781	3.9
69.03427	42.6
69.07067	14.7
70.03793	1.2
70.06591	2.6
70.33070	4.4
71.04990	12.0
72.08144	1.6
72.37954	1.3
73.02922	6.9
76.83339	1.2
79.05476	9.8
81.03415	37.3
81.06575	2.1
81.07054	39.8
81.07517	2.6
83.04977	6.0
83.08611	12.5
85.02902	100.0
85.06553	6.9
86.09720	2.1
87.00829	38.4
87.04470	2.2
91.03970	2.4
91.05474	11.6
93.07040	15.2
95.04971	4.1
95.08604	53.7
97.02887	40.5
97.06533	8.9
97.10174	5.7
99.04447	15.7
99.08083	7.5
105.01859	44.5
105.07024	18.0
107.04956	5.2
107.08591	9.5
108.04500	1.5
109.02116	2.1
109.02873	42.1
109.06525	2.8
109.10171	5.2
111.04453	2.9
111.08080	3.0
113.09635	3.1
115.03963	1.3
115.07581	1.7
117.01848	3.8
117.07030	2.4
119.08574	30.3
121.06506	3.3
121.10146	9.1
123.04418	1.6
123.08035	6.2
127.03914	66.0
127.07558	1.7
129.01825	4.1
133.06485	2.1
133.10129	18.6
135.08076	1.5
135.11702	10.4
137.09636	3.1
137.13235	15.7
145.04968	21.2
145.06184	1.7
145.10019	1.4
147.02873	1.5
147.08054	1.3
149.05905	1.5
151.07516	10.7
159.02867	11.8
161.13252	73.9
162.07559	1.2
163.03978	1.6
167.07095	1.6
172.37592	1.3
173.11707	2.2
173.13162	2.0
179.14302	93.7
180.08836	1.7
181.05063	1.8
197.15363	65.0
209.15396	2.1
213.03932	10.3
215.16425	23.9
225.14841	2.7
231.05002	19.1
237.14781	1.9
249.06079	4.5
263.16492	2.1
287.16403	3.8
296.15033	1.3
305.17557	13.1
323.18478	8.6
365.19531	4.4
391.17331	2.8
392.59338	1.8
408.54657	1.5
409.18570	24.1
427.19547	6.6
642.34271	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	643.1808
Annotation	Hydnowightin
Peak:m/z	Relative Intensity
65.03925	0.5
66.04700	0.6
68.99743	0.5
69.86900	3.1
79.05473	0.6
81.07024	0.7
91.05491	2.9
94.04180	2.7
95.04947	1.2
103.05439	1.5
104.38093	0.5
105.07006	1.4
107.04921	1.4
109.06453	1.0
115.05422	2.4
117.03378	0.6
117.07012	1.2
119.04936	0.9
121.06469	1.6
122.03635	7.5
123.04395	0.8
128.06233	0.7
129.06937	1.1
131.04921	2.9
132.05681	1.2
133.06468	1.3
135.04349	1.3
135.07997	0.7
137.05972	64.5
143.04843	0.9
145.06465	1.2
145.10042	0.6
146.03613	0.9
147.04361	1.9
148.05145	0.6
149.05991	2.7
150.06728	0.9
151.03886	0.6
151.07535	1.2
153.01828	9.2
153.06937	1.5
155.04861	0.8
159.04384	1.0
160.05171	0.6
161.05974	4.8
162.06749	1.0
163.07475	1.5
165.06990	1.5
169.06410	0.9
171.02844	0.8
171.04349	1.3
172.05153	0.9
173.05951	0.8
174.06787	1.2
175.07544	4.1
176.08307	0.7
178.07669	1.1
179.07060	0.6
179.08521	1.4
181.06491	2.2
183.02948	0.6
185.06001	3.7
186.06700	1.9
187.07481	1.2
189.06978	1.9
190.07764	1.3
191.06943	1.4
191.08475	1.4
193.06461	1.3
194.07262	0.8
195.08067	1.4
197.05952	1.1
198.06694	1.2
199.07503	0.8
201.05408	1.3
203.03343	8.5
205.06514	1.1
206.07272	1.4
207.08034	3.4
209.05995	0.7
210.06822	0.8
211.07556	0.7
213.05431	1.5
213.09074	1.4
217.06573	3.0
217.08392	0.9
218.07274	2.8
219.08070	3.1
221.05972	1.6
221.09604	1.0
222.06644	0.8
223.07465	1.4
224.08299	1.1
225.05318	1.0
225.08949	1.4
229.04892	10.2
231.08199	1.0
233.05957	0.7
233.09645	1.1
234.06758	4.8
235.07527	7.3
236.08292	1.2
237.09001	0.8
238.06155	0.6
241.04927	2.4
241.08524	1.6
242.05699	10.4
245.05867	1.4
246.06689	2.2
247.07520	3.5
248.08347	1.1
249.09099	5.3
250.06102	0.7
250.09868	1.5
251.07031	2.4
251.10683	0.9
252.07806	1.4
253.04962	3.0
253.08673	2.6
255.06500	0.7
256.07269	0.7
257.04431	77.9
258.05185	23.6
258.09058	0.8
259.07706	0.7
261.09131	3.4
262.06198	3.3
263.06976	7.6
264.07745	2.6
265.08585	2.1
266.09406	0.8
267.10132	4.5
269.04428	3.4
269.07874	1.0
270.05334	2.0
271.05936	2.7
272.10474	0.6
274.06253	0.8
275.06995	2.1
276.07703	0.8
277.08585	9.4
278.09299	4.1
279.06573	1.2
279.10022	2.0
280.07159	1.3
281.08243	0.6
281.11630	1.0
283.06015	1.1
284.10486	1.4
285.03918	9.2
285.11060	1.6
286.04706	40.6
287.05478	25.4
289.08539	2.9
290.09360	0.9
291.06601	1.0
291.10001	0.8
293.08154	0.8
293.11520	0.8
294.08768	3.1
295.09525	3.9
296.10428	2.0
297.03915	5.9
297.11142	0.9
298.04596	1.1
298.12125	0.9
299.05481	2.2
300.06213	2.2
301.06955	0.9
306.08762	1.0
307.09668	2.0
309.11145	2.7
310.11914	9.2
311.05481	3.5
311.12567	1.3
323.05490	3.0
327.05054	6.3
328.12915	3.3
329.06485	1.4
341.06522	5.6
445.09201	1.2
447.10516	0.8
459.10736	2.4
471.10864	2.4
477.11505	1.5
483.10706	1.2
489.11743	8.1
489.18155	0.8
501.11920	1.5
507.12958	3.9
519.12823	1.3
535.14203	1.0
539.51764	0.7
563.13434	2.1
571.42981	0.6
579.12640	0.7
580.13354	1.1
583.15900	3.3
595.15912	20.7
607.15594	2.5
613.17017	93.8
614.17450	2.1
625.17096	6.3
643.18042	100.0
644.18243	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05503	0.6
57.03426	1.1
60.04514	0.4
67.05482	0.3
69.03417	1.1
69.42408	0.6
69.42816	1.9
70.06574	0.6
71.04988	8.8
73.02880	0.4
77.44302	0.2
79.05495	0.8
81.03408	0.7
81.07034	0.5
83.04979	1.3
85.02898	10.1
86.09695	0.6
87.04463	0.4
89.03898	2.6
91.05474	0.5
93.07025	0.7
95.04984	0.4
95.08582	0.3
97.02902	2.2
99.04434	0.6
103.05476	0.3
107.04960	1.5
107.08580	0.5
109.02881	0.4
109.06499	0.3
111.04422	1.0
117.03371	3.2
117.07027	0.3
119.08575	0.3
120.08073	0.4
127.03939	0.5
129.05475	3.2
135.04408	9.0
135.11717	0.3
137.06027	0.6
145.02834	7.9
146.08083	0.8
147.06506	1.0
149.05884	0.3
163.03893	100.0
164.04248	0.7
164.09203	1.0
165.05476	0.3
167.06996	0.5
173.05948	0.3
179.06915	0.3
181.04863	1.3
203.07022	0.5
219.06468	0.3
221.08144	0.3
227.12840	0.5
234.08946	0.6
247.09721	0.3
255.06476	0.3
273.07623	0.6
283.15341	1.6
291.08456	0.3
300.84641	0.2
309.09665	1.3
325.09158	4.0
337.72446	0.3
361.54898	0.2
387.99506	0.3
642.35010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
56.96564	0.4
57.03434	1.3
63.02390	0.2
69.03421	1.1
69.42464	1.5
69.42875	0.8
69.78130	0.2
70.06573	0.7
71.04992	11.1
71.83485	0.2
75.04480	0.4
79.05490	0.3
81.03414	0.7
81.07050	0.3
83.04969	0.9
85.02902	13.7
87.04466	0.4
89.03924	2.0
91.05442	0.4
97.02890	3.4
99.04451	0.6
107.04948	0.9
111.04420	0.5
117.03370	2.6
123.04416	0.2
127.03913	0.6
129.05475	4.6
135.04411	9.3
137.06009	0.6
145.02840	7.7
146.08128	0.3
147.06496	1.4
163.03900	100.0
164.04237	1.3
164.09151	0.3
165.05496	0.3
167.06972	0.3
181.04944	1.7
255.01892	0.4
265.07126	0.3
273.07452	0.3
291.08685	0.6
307.08133	0.7
309.09601	1.2
310.99979	0.2
325.09180	16.4
326.09525	0.3
398.56503	0.3
471.14807	0.3
525.87170	0.3
535.11133	0.4
642.32318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.8
58.06602	1.3
60.55120	0.2
65.03928	1.0
65.29012	0.3
69.03397	0.3
69.07040	0.5
69.38938	0.2
69.39243	2.5
70.06573	0.3
72.08128	1.2
79.05498	0.3
81.03384	0.3
81.07055	0.5
84.08138	4.6
85.02908	0.5
86.09665	0.4
91.05475	9.0
93.07030	0.4
95.08575	0.6
96.05160	0.3
97.02858	0.4
98.09654	0.3
98.20737	0.3
107.04911	0.5
107.08600	0.3
109.10146	0.4
111.74768	0.3
112.11241	14.5
113.92887	0.2
117.06959	0.3
117.69630	0.2
119.04938	18.9
119.08514	0.3
129.13873	11.8
142.07774	0.4
143.08606	0.4
145.10147	0.3
146.05949	0.3
147.04401	100.0
148.04770	1.1
155.11786	1.7
163.03923	0.4
168.23099	0.2
171.11707	0.5
181.04878	0.4
197.14801	0.3
203.11781	5.4
204.10193	67.2
205.10542	0.4
212.97437	0.2
218.11818	0.9
275.17532	20.3
287.05521	1.0
292.08508	0.2
305.08997	0.4
311.11386	0.3
349.25980	1.2
383.12308	0.9
421.21027	1.2
461.75665	0.3
477.28525	4.1
495.29642	17.9
496.30002	0.6
610.22369	0.3
623.32745	0.3
624.30548	2.5
640.36176	0.3
641.33319	61.2
642.33600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01871	8.6
55.05511	34.0
57.03433	8.9
57.07077	4.2
65.03937	5.1
67.05505	77.6
69.03445	2.9
69.07076	23.4
71.04981	5.2
71.61497	2.7
79.05494	81.1
81.03415	5.6
81.07059	100.0
83.04980	6.5
83.08614	16.0
85.06545	3.3
91.05486	52.9
93.07044	72.2
95.04964	17.0
95.08605	47.6
97.02908	1.9
97.06529	8.6
97.10165	13.2
103.05461	2.1
105.07024	33.7
107.04961	13.5
107.08597	43.1
109.02880	2.0
109.06526	41.7
109.10149	23.3
111.04463	2.0
111.08096	7.7
115.05491	3.5
117.07017	18.7
119.08583	34.6
121.06488	8.3
121.10128	23.3
123.04478	3.7
123.08073	7.0
123.11720	3.8
125.09628	15.0
127.11224	1.7
128.06215	3.1
129.07013	6.8
130.07823	1.7
131.08559	19.4
133.06535	3.2
133.10114	23.6
135.08058	16.8
135.11684	15.6
137.06001	3.1
137.09613	18.6
139.07564	4.7
141.07036	1.7
142.07774	2.5
143.08575	6.2
145.06468	4.2
145.10118	19.2
147.08061	6.2
147.11717	12.0
149.09665	3.9
149.13287	5.8
151.07500	2.0
151.11131	1.9
153.09143	8.8
155.08568	2.2
157.10114	10.7
159.08038	9.0
159.11690	10.7
161.09631	6.6
161.13199	8.0
163.07475	9.7
163.11169	4.0
165.09125	2.5
169.10147	6.9
169.12201	2.6
171.10330	2.2
171.11739	5.5
173.09630	5.4
173.13266	9.1
175.11230	3.2
175.14783	4.3
177.09108	3.8
177.12750	3.5
179.10706	5.2
179.14397	2.2
181.10088	2.3
183.11679	4.4
185.09564	1.8
185.13248	3.9
187.11166	3.9
187.14815	2.7
189.11310	8.0
189.16521	2.4
191.10712	5.7
191.14218	2.0
197.11736	3.6
197.13324	3.3
199.14870	3.8
201.12871	1.7
201.16501	2.7
207.13818	2.5
211.14830	2.3
217.15964	2.8
225.16412	4.6
227.12820	4.5
227.17946	1.9
233.15416	4.9
235.17012	13.0
241.19586	3.0
243.17470	7.1
253.15959	7.6
257.18909	3.8
259.20670	5.2
261.18546	14.6
261.22168	4.5
263.16479	2.0
271.16959	15.2
273.18686	2.0
275.20053	5.2
289.17950	70.8
291.19446	11.5
307.19000	10.6
317.24557	2.6
333.24426	2.6
335.25830	12.2
363.21512	11.1
365.23343	3.8
477.22998	2.4
537.99512	1.9
547.27374	2.7
549.24524	2.3
550.24841	2.3
591.26031	2.8
605.42133	2.6
623.28821	14.0
623.42883	20.4
632.03278	2.0
641.44122	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	1.0
58.55270	0.2
59.26561	0.3
65.03918	1.1
69.07018	0.3
70.06591	1.3
71.60114	0.4
72.08154	1.5
84.08141	6.6
85.02890	0.6
86.09712	1.5
90.02488	0.3
91.05476	8.0
97.02866	0.5
98.09653	0.4
104.20008	0.3
107.04933	0.6
108.91827	0.2
110.09669	0.5
112.11236	15.3
113.07159	0.3
113.74339	0.3
119.04939	18.9
127.03909	0.4
129.13879	10.7
131.04889	0.4
137.05957	1.3
147.04402	100.0
148.04721	1.4
155.08231	0.3
155.11806	1.7
181.04947	0.4
203.11787	5.7
204.10194	67.3
205.10481	1.3
218.11772	1.5
275.17526	20.0
276.17789	0.5
349.25980	1.3
360.69073	0.4
378.02597	0.3
421.21194	1.3
477.28528	5.8
478.28119	0.5
495.29642	17.2
496.30045	0.7
512.36237	0.3
624.30762	5.8
638.04767	0.3
641.33307	57.4
642.33594	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
60.74471	1.0
66.68616	1.2
67.05497	4.0
67.15421	1.3
69.03416	5.4
69.07066	1.8
69.29285	12.9
79.05483	3.6
81.07056	2.8
83.04988	2.7
83.08630	1.3
86.06072	1.6
90.05558	15.8
91.05467	5.5
93.07037	5.4
95.08607	8.4
103.59863	1.2
105.06371	1.1
105.07025	8.3
107.08561	6.1
107.15104	1.2
109.06499	4.2
109.10146	5.6
114.05561	2.9
117.07007	1.5
119.08569	10.4
121.10146	4.4
122.21637	1.3
123.08048	4.6
125.06002	3.1
131.08556	4.2
132.06577	13.6
133.10127	41.0
134.09569	1.4
135.08047	2.8
139.07515	3.6
140.08429	1.8
141.09143	4.6
142.07716	1.5
143.08540	2.4
144.09286	1.3
145.10115	8.1
147.11662	3.6
149.09596	3.0
153.09126	2.6
156.09361	2.0
157.10138	4.9
157.90785	1.4
159.11732	6.9
163.07544	8.4
167.10652	1.4
171.11671	4.8
173.13216	4.3
175.11284	1.3
176.10681	1.4
177.09048	2.6
183.11682	2.7
185.13271	3.6
187.11221	2.6
187.14827	5.3
189.16441	2.7
195.10158	1.7
197.13274	2.0
199.14822	5.2
201.16385	6.7
211.14806	1.8
213.16295	1.7
253.19409	1.5
276.85300	1.6
309.22183	2.2
329.21173	5.4
431.29340	1.6
449.30508	100.0
450.30811	1.7
640.24786	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1715
Annotation	Rhamnetin 3-galactosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03935	0.3
55.01862	0.6
57.03426	0.7
59.41562	0.2
60.50470	0.2
61.02918	1.2
61.09385	0.2
64.88840	0.2
68.40136	0.2
69.03080	0.3
69.03431	3.9
70.00146	1.1
70.06594	2.3
71.04976	0.4
71.38126	0.2
73.02888	0.6
81.03412	1.7
83.06102	0.2
84.04494	0.5
84.08139	0.5
85.02904	12.5
86.09715	1.2
86.43752	0.2
87.04459	0.4
91.03941	0.7
92.02624	0.9
93.03390	0.6
97.02896	4.2
99.04438	0.6
100.96546	0.2
109.02879	1.5
110.07171	1.0
111.07478	0.2
119.01926	0.4
120.08057	0.2
121.01665	0.6
121.02852	0.9
127.03909	3.1
129.10223	0.4
137.06001	0.2
139.02730	0.2
139.03882	0.5
145.01680	0.3
145.04959	3.2
148.06041	0.3
151.03905	0.8
153.01825	5.4
161.02937	0.4
162.03102	0.3
163.02704	0.7
163.03915	0.3
163.06023	0.4
165.01848	0.8
201.05476	0.6
203.03337	0.5
205.03770	0.2
217.04997	0.5
218.05782	0.5
228.04247	1.0
229.04976	2.8
229.09280	0.3
231.02974	0.3
231.08990	0.8
243.06487	0.3
245.04512	1.0
246.05145	1.4
256.03738	0.3
257.04480	2.2
260.03137	0.5
261.07605	0.2
271.06070	0.3
273.03873	1.7
274.04742	3.3
284.03195	0.5
285.03940	3.7
287.05392	0.3
288.06406	0.2
302.04211	11.1
305.12683	0.6
317.06552	100.0
318.06934	0.8
326.54965	0.2
329.06583	0.3
351.13141	0.5
359.07788	0.5
383.07422	0.3
393.14175	0.2
405.49518	0.2
407.12070	0.2
462.22189	0.3
478.21957	0.7
479.11832	0.9
479.21808	2.6
654.64209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01876	2.5
55.05515	3.7
57.03438	2.0
61.02917	4.1
64.29565	1.2
67.05492	2.2
68.99785	1.4
69.03426	13.6
69.07069	4.4
71.04998	3.2
71.60319	1.7
73.02901	3.2
79.05476	6.1
81.03417	11.1
81.07058	12.8
81.42383	1.1
83.08610	3.8
84.06617	1.2
85.02905	37.1
85.06543	100.0
87.00833	10.3
91.03927	1.6
91.05495	5.5
93.07039	15.2
95.04972	2.5
95.08607	5.0
97.02895	14.1
97.06531	23.9
97.10219	1.2
99.04442	5.9
105.01848	9.5
105.07042	8.2
107.08599	12.8
109.02876	11.4
109.06519	1.4
109.10178	3.3
111.04506	1.5
111.08096	3.0
115.65274	1.1
117.07042	1.1
119.08586	8.8
121.06539	1.3
121.10145	41.0
121.11034	2.4
123.08092	2.1
123.11711	1.9
125.09663	1.4
127.03920	17.6
131.08572	3.1
133.10120	5.0
135.08052	2.3
135.11710	2.2
137.09599	2.3
145.04953	7.4
145.10117	1.7
147.02911	1.4
147.08076	1.0
147.11722	3.1
149.13246	24.4
157.10175	1.1
159.02902	3.5
159.11659	11.0
161.13280	2.0
167.14299	7.7
173.09633	1.7
175.11328	1.6
177.12747	22.0
179.14322	1.9
180.08730	2.2
189.12793	2.7
194.38690	1.1
195.13806	80.9
205.12297	1.5
207.13847	4.7
213.03958	1.6
213.14848	97.4
223.13263	2.4
225.14836	2.2
231.04958	2.3
231.13693	1.2
236.93823	1.2
249.14952	2.0
255.65038	1.2
257.15338	1.2
259.13324	1.3
285.14780	3.1
303.15887	4.6
321.17038	2.9
363.17905	1.3
381.19321	2.2
389.15689	2.9
407.17093	13.7
425.17868	6.7
443.18976	2.4
443.78281	1.3
640.33148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08007	1.0
53.03939	2.6
55.01862	3.2
55.05496	1.2
56.96542	1.8
57.03422	2.4
57.57666	1.0
59.20040	0.8
61.02906	2.6
62.83966	1.1
67.66970	0.9
68.92920	1.1
69.03054	1.6
69.03420	11.6
70.06617	2.6
71.04987	1.3
71.59952	1.8
72.08139	1.7
73.02909	2.0
74.71033	1.0
79.05491	2.5
81.03413	10.1
84.81018	0.9
85.02902	28.6
87.00821	9.7
87.04449	1.4
91.03945	1.9
91.05495	1.7
93.07063	1.2
95.04921	1.7
97.02883	11.2
98.97539	1.1
99.04442	5.7
103.05447	4.0
105.01855	14.1
105.07001	1.8
107.04955	22.3
108.04470	2.0
109.02883	8.6
115.05494	1.3
116.98616	1.1
117.01814	1.2
125.05946	1.0
127.03916	18.7
129.01836	1.9
133.06468	1.6
134.99631	1.6
135.08043	6.5
136.06223	1.5
137.05981	2.5
143.00285	1.0
145.04929	6.3
152.04726	1.0
154.06160	1.4
159.02844	4.9
163.03914	1.5
163.07541	23.1
167.07034	58.8
177.00688	1.5
180.07628	1.7
181.08580	3.2
193.08632	1.2
195.10164	17.2
196.55920	1.2
213.11214	100.0
219.01782	2.2
231.04938	7.2
237.02837	2.1
237.11197	1.2
249.06046	1.8
279.12372	1.5
303.12250	3.6
321.13242	6.0
347.10712	3.3
347.60736	3.3
348.10925	2.0
371.61823	1.4
452.64484	5.3
453.13052	1.2
640.22778	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
54.27372	0.3
55.01866	2.7
56.96530	0.5
57.03443	2.0
61.02929	2.4
68.65967	0.3
68.99790	1.1
69.03426	10.7
69.66396	2.2
70.06570	0.4
71.05007	1.7
72.08130	0.3
73.02918	2.3
73.71799	0.3
77.78740	0.3
79.05497	1.8
81.03413	10.1
83.01346	0.4
84.04511	0.5
84.08121	0.3
85.02901	28.9
87.00828	10.5
87.04443	0.5
91.03937	0.6
91.05482	1.5
93.07044	0.5
95.04977	1.6
97.02888	10.9
99.04450	4.6
103.03933	0.4
103.05447	2.8
105.01862	15.2
105.07018	1.8
107.04948	23.5
107.08598	0.4
108.04478	1.4
109.02873	11.2
111.04436	0.8
115.03908	0.5
115.05454	1.2
117.01840	1.2
117.07037	0.5
120.05761	0.5
121.06514	0.7
123.04433	1.2
124.05225	0.6
126.05515	1.1
127.03910	19.3
129.01848	1.0
131.04924	1.1
131.08578	0.4
133.06516	0.7
135.08047	8.4
136.06232	0.4
137.05986	0.5
145.04956	7.4
145.06555	0.6
145.07605	0.8
147.02869	0.7
149.05988	0.4
151.07568	0.4
154.06256	0.9
154.26503	0.3
159.02872	4.2
161.05968	0.6
163.03909	0.6
163.07533	24.1
167.07033	61.1
168.07408	0.4
171.02800	0.4
173.05972	0.4
175.07573	0.4
180.07803	1.5
181.08595	3.3
183.08025	0.3
189.03964	0.6
193.08638	0.4
195.10164	19.1
205.04745	0.5
205.08635	0.4
213.04141	1.9
213.11205	100.0
214.11557	0.8
219.10118	0.5
223.09700	0.4
229.08415	0.3
230.06549	0.5
231.04967	6.9
233.08124	0.5
237.11163	1.7
238.81868	0.4
248.07611	1.0
249.06038	2.4
255.12306	1.7
257.11768	0.4
266.08859	0.4
279.12268	1.5
285.11212	0.7
303.12210	2.6
321.13345	5.1
347.10809	0.5
347.60883	0.6
353.69543	0.3
365.07675	0.4
640.22797	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88275	0.7
55.05507	1.3
67.05509	0.9
68.05023	18.7
70.06590	6.0
71.60445	1.0
72.07748	0.8
72.08154	14.9
79.05490	1.0
81.07059	0.9
86.09705	50.4
91.05466	1.2
93.07060	0.8
100.07622	3.6
110.09688	2.0
119.08559	0.7
120.08101	6.1
139.12305	14.0
157.13370	5.1
158.09694	0.8
167.11797	100.0
185.12854	6.0
195.11287	61.8
207.18271	0.6
207.83455	0.6
214.94316	0.6
280.20160	2.6
298.21173	2.6
308.19666	34.4
330.27344	0.7
337.48196	0.7
351.23917	1.4
374.62088	0.7
379.23386	68.7
417.28491	1.1
433.87711	0.7
464.32315	2.6
492.31842	15.8
611.40381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44443	0.7
52.18873	0.6
54.42607	0.7
55.05505	2.4
57.07072	0.9
58.06594	5.5
58.15539	0.6
67.05492	0.8
67.18233	0.7
69.07076	0.8
71.60969	0.9
72.08152	11.6
73.06554	2.1
81.07079	1.1
83.04977	1.5
85.08908	0.7
86.09704	21.0
93.04019	0.8
100.11255	100.0
101.06038	1.7
105.07061	0.6
133.10114	0.8
137.66194	0.6
140.14375	2.3
141.16406	0.6
146.11768	2.5
154.12247	1.6
156.15408	0.6
172.13342	2.0
200.16464	1.4
210.14978	0.8
214.14400	0.8
228.15924	6.7
285.21802	6.4
299.23300	9.6
305.21701	0.8
309.22110	0.7
327.22757	15.7
327.26550	0.9
367.25806	1.0
386.79544	0.6
395.25360	1.6
440.31287	3.8
458.32333	6.6
484.33600	1.2
534.65448	0.8
547.92053	0.7
611.43768	32.9
612.43817	1.3
639.43604	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	639.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45929	1.2
55.05520	3.0
67.05489	3.5
68.05020	19.6
70.06583	5.6
71.59650	1.3
71.60037	1.6
72.08150	17.4
73.02904	1.3
79.05494	2.3
79.89577	1.3
81.03421	3.9
81.07060	4.1
83.08623	1.5
86.09705	50.2
90.27059	1.4
91.05467	2.2
93.07032	3.0
100.07601	3.4
105.07028	1.7
107.04942	1.4
109.10161	1.4
117.06993	1.8
120.08093	7.2
131.08548	1.4
133.10158	2.0
139.12294	10.6
149.10782	1.3
154.43120	1.2
157.13402	3.5
167.11797	100.0
185.12894	4.3
195.11279	65.6
212.48967	1.3
248.40178	1.2
251.44029	1.3
267.15976	2.6
280.20117	1.4
298.21234	3.4
308.19675	37.0
351.24118	2.2
379.23386	73.6
464.32401	4.6
479.05185	1.3
492.31894	16.1
553.27094	1.4
625.38574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01866	5.8
55.05507	17.7
56.63679	1.5
57.03432	9.1
60.78605	1.4
65.03933	3.4
67.05505	23.9
69.03422	14.6
69.07082	7.0
70.06570	1.6
71.04983	6.3
71.60382	2.4
73.26271	1.3
79.05492	22.3
81.03413	100.0
81.07057	30.2
83.04977	19.2
83.08614	24.1
85.02900	21.5
91.05479	28.4
93.07034	19.7
95.04963	29.9
95.08597	12.9
97.02893	12.0
97.06521	7.8
97.10156	6.4
99.04449	4.2
103.05497	1.6
105.07028	21.9
107.04942	8.8
107.08559	10.0
109.02869	17.1
109.06530	5.0
109.10147	4.5
111.04433	12.0
111.08059	12.1
113.06020	2.6
115.05462	2.4
117.07025	4.5
119.04906	2.3
119.08576	18.6
121.06480	3.0
121.10136	11.2
123.08091	3.0
123.11725	2.1
125.09628	3.5
127.03893	9.4
129.07001	12.0
131.08548	12.9
133.06503	3.0
133.10112	9.8
135.11673	2.9
137.09583	1.8
142.07765	2.8
143.08592	2.3
145.06442	2.6
145.10114	6.3
147.04337	2.1
147.08105	4.3
147.11668	14.5
149.09639	6.3
153.12727	2.1
157.10133	13.4
159.04448	1.6
161.06065	1.8
163.03859	2.2
163.11180	5.1
165.12732	6.1
173.04422	2.0
175.11214	15.0
181.12140	3.3
191.10680	3.8
193.10439	1.6
193.10829	0.9
193.12221	44.0
211.13280	71.8
216.26286	1.6
227.12798	6.6
235.13277	2.7
249.14796	1.7
267.09030	1.8
267.15933	19.5
273.14792	2.9
273.58575	1.4
283.15482	1.8
285.09793	2.1
285.16943	10.9
301.14413	4.9
306.68463	1.6
315.15829	1.7
319.15329	3.2
337.16602	3.3
355.17841	7.2
356.90161	1.5
367.23041	1.7
385.23636	3.8
393.18863	3.6
411.19885	5.6
429.20737	1.7
459.27252	7.9
477.28394	8.2
495.29538	15.9
573.31250	1.5
585.29974	2.1
603.31500	2.5
621.32098	10.3
639.33765	43.9
640.33704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10161	0.5
53.03948	2.8
54.47031	0.5
55.01862	3.1
55.05506	4.3
57.03439	15.7
57.07077	27.7
59.04993	0.8
61.02927	55.7
64.46713	0.5
67.05502	8.2
69.03429	20.4
69.07060	6.0
69.49477	1.2
69.49876	4.4
71.01355	3.0
71.04978	2.6
71.08630	18.2
73.02916	19.4
75.04475	1.6
76.17867	0.6
79.05484	1.6
81.03417	16.5
81.07056	11.4
83.01324	1.0
83.04967	2.5
83.08615	7.7
85.02905	71.7
85.10182	11.9
87.04474	2.1
89.06028	1.6
91.03954	40.4
93.07055	1.0
95.04994	0.8
95.08605	16.3
97.02892	57.4
97.10183	5.1
99.00824	0.8
99.04460	10.3
99.11720	0.8
101.02374	6.5
103.03947	7.0
109.02882	12.0
109.10155	7.5
111.04456	2.1
111.11722	0.8
115.03926	5.7
117.05521	2.9
123.11680	3.0
125.13261	1.5
127.03915	27.0
129.05487	4.4
137.05916	0.9
137.13245	1.5
141.05505	1.1
145.04958	16.5
149.01207	0.9
150.63164	0.6
151.14828	0.9
156.54935	0.6
159.06531	3.3
163.06044	5.2
171.06610	1.6
183.06551	9.9
201.07579	7.1
219.08563	1.4
221.22539	1.2
239.23685	21.0
257.24716	3.0
299.25650	0.7
313.27359	100.0
314.27682	1.3
331.28638	1.0
341.26700	5.4
347.67599	1.4
348.17426	1.1
349.16705	0.7
355.28568	3.5
367.28455	1.3
383.27850	2.7
385.29453	1.6
397.29831	1.5
421.29456	1.6
439.30487	3.0
456.42224	0.7
457.31619	12.2
475.32709	3.3
477.63681	0.7
637.37799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
54.76278	0.5
55.01863	1.8
55.05516	4.9
56.60614	0.6
57.03438	15.1
57.07076	25.4
57.44894	0.6
61.02926	50.2
67.05164	0.7
67.05502	8.6
69.03429	21.6
69.07064	6.5
70.80250	1.4
70.80624	1.3
71.01334	2.4
71.04996	3.3
71.08632	17.9
73.02919	19.2
75.04467	1.0
79.05483	1.4
81.02977	1.1
81.03419	16.0
81.07056	10.7
83.01315	0.8
83.04971	2.1
83.08623	8.0
85.02906	62.5
85.06518	1.0
85.10177	10.1
87.04446	2.4
89.06046	1.3
89.95236	0.6
91.03956	37.4
91.05470	1.5
93.07057	1.4
95.04926	0.9
95.08043	1.1
95.08609	15.4
97.02893	52.4
97.10172	3.8
99.03930	0.7
99.04463	8.4
101.02384	5.2
103.03939	8.4
107.04967	0.7
107.08597	0.7
109.02882	12.1
109.06551	0.8
109.10159	7.0
111.04427	2.3
111.11690	1.0
114.84204	0.5
115.03960	4.5
117.05472	2.3
121.10119	0.7
123.11708	3.6
125.13248	1.2
127.03918	23.6
129.05461	3.5
137.05936	1.2
137.13280	2.1
141.05435	0.7
145.04951	12.8
151.14766	0.9
153.05495	0.8
155.06989	0.7
159.06555	4.1
163.05986	3.4
171.06540	2.0
183.06506	11.3
201.07593	8.9
219.08632	0.6
221.22632	1.5
239.23686	21.0
254.97308	0.7
257.24799	2.6
313.27365	100.0
314.27570	1.2
331.28424	0.9
341.26929	4.7
355.28345	4.7
367.28683	0.7
383.27887	1.9
385.29370	1.3
397.29593	2.2
421.29565	1.5
439.30533	2.0
457.31558	10.3
475.32471	1.8
607.81091	0.8
637.38477	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92053	1.6
55.05511	2.0
67.05490	3.3
79.05499	2.5
81.07062	1.9
91.05465	1.9
93.07054	1.8
109.10148	1.9
115.56016	1.8
119.88421	1.7
229.31293	1.9
346.70193	1.7
374.15988	1.9
377.17392	2.4
393.20590	1.9
399.16055	1.9
400.16495	2.1
401.17642	3.6
407.22342	3.3
413.17456	5.3
414.18307	5.2
415.19141	8.1
421.20041	2.1
427.19641	2.2
428.20010	4.0
429.21390	8.0
430.21741	3.1
435.21765	2.5
441.17236	2.3
442.17706	2.6
443.18063	3.9
443.23181	2.9
444.19070	4.5
445.20148	3.2
456.19614	2.0
457.19971	5.4
458.20938	6.3
471.22296	9.1
472.23239	2.9
473.19492	6.7
484.18976	2.3
485.19348	3.2
486.20435	7.9
487.21417	2.9
488.21741	1.9
490.19949	3.6
499.21161	10.8
500.21848	2.9
503.24393	2.7
517.22076	4.4
527.20337	2.0
531.23743	15.8
543.24011	1.9
559.23376	100.0
560.23883	2.5
587.22772	18.9
605.23749	2.0
619.25500	98.6
637.26263	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20507	1.9
71.27657	5.0
73.58719	2.1
76.94797	1.9
78.04594	2.2
95.78956	2.2
306.56595	2.5
405.20770	5.3
406.21500	3.5
415.19107	5.8
420.23419	4.3
421.24094	7.2
426.42871	2.3
427.19138	2.7
428.20114	3.1
429.20538	11.0
430.21820	3.0
442.21594	3.5
443.22458	7.5
444.23364	4.4
458.24734	6.4
459.22006	9.5
460.22711	4.5
461.19931	7.7
472.22678	5.4
475.21741	2.5
476.21985	6.6
485.23541	11.7
487.20743	3.5
488.21841	5.5
500.22321	3.1
503.24527	18.8
513.22888	3.2
517.26050	9.7
535.26941	23.4
545.25519	79.1
563.26544	4.1
573.24866	16.9
578.28284	4.5
605.27582	97.3
637.30231	100.0
662.74683	2.8
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
53.03931	2.0
55.05503	8.9
57.03424	2.6
57.07066	2.7
57.53532	0.7
65.03925	1.0
67.05503	21.0
68.99783	1.2
69.03424	1.9
69.07065	13.8
71.01344	2.6
71.05015	0.8
71.08627	0.8
71.41753	1.6
73.02914	5.2
75.04491	0.9
79.05488	11.7
81.07051	44.6
83.01321	1.2
83.04997	0.9
83.08614	10.0
85.02901	15.1
85.06518	1.2
91.05468	9.9
93.07039	34.1
95.01327	40.2
95.01942	2.0
95.04958	2.2
95.08603	87.5
97.02929	1.5
97.06525	1.5
97.10161	4.3
99.00809	3.7
99.08089	1.4
101.02376	3.0
103.03938	4.9
105.06299	1.4
105.06451	0.7
105.07018	31.7
107.08591	55.0
109.06521	2.9
109.10152	59.4
111.08073	15.0
111.11709	2.4
113.02382	6.3
113.09647	1.2
117.06993	2.7
119.08573	42.8
121.10136	45.0
123.08076	1.3
123.11700	20.6
125.09607	3.5
127.59534	1.0
129.06999	1.9
131.03398	2.9
131.08568	11.8
133.10123	41.4
135.11690	33.1
137.09619	2.5
137.13245	7.1
139.11192	7.9
141.01819	100.0
143.08562	2.9
145.10112	18.4
147.11684	27.7
149.13254	27.5
149.14491	1.0
151.11160	3.1
151.14809	2.2
153.12790	2.0
157.10112	4.2
158.10884	1.0
159.02884	16.1
159.11679	20.9
161.13249	28.9
163.11214	2.5
163.14818	26.9
165.12750	5.4
165.16518	1.1
167.14323	0.9
169.10132	0.9
171.11713	4.2
173.11772	1.3
173.13263	17.6
175.14818	22.6
175.16251	1.6
177.03967	5.4
177.12762	1.7
177.16380	21.0
179.14352	1.9
179.17920	1.1
185.13280	3.9
187.14815	16.7
189.16367	23.9
191.14331	2.1
191.17935	12.0
193.15846	6.1
195.17473	8.5
197.13216	1.1
199.14862	5.6
201.16368	20.0
203.17949	43.7
205.15857	6.7
205.19485	4.5
207.17462	11.9
208.79678	0.9
211.14842	1.0
213.16371	6.1
215.17958	21.7
217.15889	2.4
217.19493	23.2
219.17447	14.1
219.20927	0.9
221.18999	14.2
227.17969	7.1
227.31981	1.1
229.19490	21.6
231.17415	2.4
231.21082	2.8
233.18988	12.7
235.20590	2.1
241.19490	4.1
243.21085	7.0
245.18982	5.8
245.22638	1.7
247.20523	15.7
247.22803	1.4
253.19530	1.6
255.21007	4.6
257.22687	6.9
259.20706	2.4
261.22171	4.7
267.20941	1.8
269.22635	5.1
271.20636	1.3
271.24194	2.4
273.22101	2.8
273.25256	0.8
275.23718	4.8
281.22656	1.6
283.02054	1.4
283.24179	1.7
285.22006	1.5
285.25739	1.4
287.23724	2.7
289.25406	1.3
295.24127	1.2
297.25705	3.5
299.23645	1.2
301.25284	1.8
309.25769	1.1
311.27325	2.4
313.25229	2.3
315.26859	4.3
327.26706	0.9
329.28284	3.9
349.29089	1.2
351.18109	1.8
351.30560	1.4
365.32227	4.6
369.31442	2.0
381.31558	1.6
383.33063	6.8
405.35193	16.5
411.36118	3.5
423.36200	83.2
441.37262	45.8
581.38202	4.6
599.39532	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	635.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.5
70.06545	1.3
71.04936	0.5
71.59630	0.5
84.04455	0.5
84.08089	1.0
85.02841	1.3
86.09669	0.8
97.92690	0.4
98.97538	0.8
107.04891	0.5
109.06537	0.5
116.98576	0.5
119.08557	0.6
127.03925	0.6
133.10107	0.6
137.05949	1.1
172.81419	0.5
177.72977	0.4
181.05011	0.6
185.04181	0.7
193.18213	0.4
207.13782	1.1
212.93059	0.5
225.14746	0.5
237.45401	0.5
239.85555	0.5
243.08862	0.6
249.14638	5.6
251.12666	2.4
293.13507	1.5
311.14627	100.0
312.15140	0.7
473.19925	74.1
474.20258	1.0
562.25275	0.5
635.25238	41.6
636.25311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.415
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
52.07119	3.8
53.03956	3.6
55.05510	8.9
57.03382	3.2
57.07053	4.4
58.54078	3.5
58.89224	3.3
67.05496	26.0
69.07058	16.3
71.59258	5.9
73.26263	3.3
74.12599	3.1
79.05488	13.5
81.07059	47.7
83.08610	11.0
85.02908	20.7
91.05471	14.4
93.07054	38.0
95.01334	43.2
95.04968	4.3
95.08050	6.0
95.08611	100.0
97.10173	4.9
98.76541	4.5
103.03987	4.8
105.07019	43.4
107.08588	63.0
108.08860	4.6
109.10155	57.9
111.08078	14.3
113.02383	6.0
117.06985	4.6
119.08598	48.0
121.10142	45.4
123.11705	24.5
123.51702	3.7
131.08528	10.4
133.10124	52.6
134.10426	4.2
135.11682	39.3
137.13251	4.5
139.11153	8.8
141.01831	96.4
145.10117	22.5
147.11671	27.4
149.13257	28.4
157.10143	4.2
159.02884	21.4
159.11740	19.0
161.13260	27.8
163.14832	29.5
165.12814	4.3
171.11664	4.1
173.13263	20.2
175.14827	27.5
177.04028	4.4
177.12689	4.3
177.16428	22.5
185.13249	6.0
187.14803	15.1
189.16382	29.3
191.14441	5.1
191.17902	13.4
193.15939	9.3
195.17360	6.1
199.14868	4.4
201.16336	23.8
203.17957	40.7
205.15884	9.6
207.17442	11.9
213.16409	8.3
215.17902	29.5
217.19455	22.2
219.17418	13.4
221.18974	16.0
227.17967	7.6
229.19589	21.5
231.20926	5.2
233.18961	15.0
235.20509	5.3
241.19609	4.7
243.21065	7.4
247.20638	18.5
255.21051	5.1
257.22824	4.8
273.22198	6.1
275.23645	3.9
283.24335	5.2
316.74792	3.9
327.01636	4.2
365.31937	4.3
376.43494	4.4
377.62106	3.6
383.32986	8.4
405.35007	12.1
423.36215	76.1
424.36615	6.6
441.37265	45.7
449.49771	4.2
473.78912	3.5
581.37708	6.6
582.38605	4.0
599.39142	4.7
600.39459	5.6
635.37756	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	635.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
56.17089	0.9
56.96562	11.2
60.48223	1.0
67.05490	2.9
69.07065	1.1
69.60349	7.9
70.26401	1.0
79.05518	1.6
81.03421	3.4
81.07051	2.8
83.08629	1.3
95.08643	1.4
98.21464	2.1
100.04180	1.0
102.92618	3.0
105.07008	1.2
107.08607	1.7
119.08613	1.2
120.37965	0.9
120.93686	1.6
128.98607	1.3
136.93155	3.4
146.99672	2.6
154.94150	18.1
154.95236	1.6
161.01219	2.5
172.95235	99.0
190.96275	79.1
195.96864	8.1
196.95367	1.4
201.00684	2.0
205.44646	1.2
208.97356	2.7
210.96837	7.9
213.97879	6.0
214.96362	4.1
228.97853	28.2
229.00061	1.4
230.99500	2.3
233.98477	1.5
238.96367	2.2
240.98036	1.7
246.98959	8.6
251.99608	1.8
280.97394	4.6
298.98544	13.9
306.28165	1.1
316.99411	24.7
319.19437	14.0
322.00064	3.1
335.00604	2.1
335.18878	1.3
337.20514	31.2
337.27429	3.0
340.01242	1.5
355.21448	2.2
360.22180	3.7
373.02078	2.6
399.16150	1.9
417.17300	1.4
455.18716	14.1
458.10916	1.3
473.19788	100.0
474.20145	3.2
491.20633	10.1
496.21426	10.7
514.21954	1.4
543.20361	3.0
561.21985	1.9
635.25073	63.2
635.36218	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	635.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53907	1.0
55.05507	1.4
56.96560	9.3
67.05508	5.3
69.03439	1.1
69.07061	2.5
71.61153	2.3
71.95256	1.1
76.55506	1.0
77.19141	1.1
79.05502	2.9
81.03421	3.1
81.07059	4.2
83.97836	1.0
84.96016	1.6
91.05491	4.1
93.07053	4.8
95.04974	3.3
95.08614	4.0
102.92624	3.8
105.07031	4.4
107.08611	3.4
109.02863	1.5
109.06483	1.6
109.10148	2.8
117.07012	1.5
119.08594	4.2
121.10146	1.6
123.08076	1.2
123.11678	1.9
125.06031	1.1
125.09679	1.0
128.98639	1.6
131.08568	1.7
133.10162	2.8
136.93175	3.1
143.08604	1.0
145.10107	2.5
146.99687	1.6
149.09647	1.8
151.07574	1.4
151.11232	1.2
154.94147	20.8
155.01697	1.0
159.11702	1.2
161.09605	1.0
163.11177	1.4
165.09178	1.4
167.10799	1.2
172.95235	92.3
173.13326	2.1
177.95811	2.1
181.12303	2.0
189.12814	1.2
190.96275	72.0
195.96840	9.3
196.95308	1.4
197.13298	1.2
201.00745	3.0
202.04912	1.1
208.97327	2.2
210.96783	8.4
213.97900	5.3
214.96323	3.8
221.38530	1.1
225.14650	1.1
228.97836	25.1
233.15457	1.3
240.98085	1.5
246.98938	7.4
251.99428	2.6
256.97513	1.3
262.96304	1.3
280.97433	4.7
298.98746	14.7
316.99423	23.9
319.19397	14.7
322.00049	1.3
335.00577	2.7
335.18796	1.6
337.20483	31.4
337.27438	3.0
340.01068	2.9
355.21539	1.4
360.21994	4.9
362.56027	1.2
373.02176	1.4
399.16269	1.5
417.17026	1.6
455.18631	15.1
473.19748	100.0
491.20712	7.0
496.21277	6.3
543.20074	2.1
575.22931	1.3
617.23492	1.6
635.25079	59.2
635.40167	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	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.05503	14.4
55.79488	2.1
57.03431	4.1
57.07069	3.9
65.03928	3.0
67.05511	29.5
67.45425	2.1
69.03428	3.8
69.07065	17.9
70.06593	3.9
71.01351	2.8
71.59840	3.4
71.60207	2.2
71.90255	2.4
73.02907	7.8
75.96259	2.2
79.05489	18.0
81.03426	4.4
81.07056	56.4
83.04984	4.7
83.08605	9.2
84.32562	2.4
85.02906	24.8
85.06515	2.3
86.09697	3.9
91.05484	21.8
93.07039	54.7
95.01340	12.6
95.04942	4.9
95.08604	100.0
97.06527	17.2
97.10158	7.0
101.02370	2.5
103.03928	3.7
103.05482	3.3
105.07026	67.5
107.04951	4.2
107.08595	76.6
109.06572	5.6
109.10151	68.6
111.08062	13.4
113.02351	5.7
115.05433	2.7
117.07009	7.4
117.37699	2.4
119.08579	83.7
121.06525	2.8
121.10146	42.3
123.08071	2.4
123.11694	16.3
125.09576	3.1
127.03863	2.2
128.06219	2.8
129.06976	3.1
131.03433	5.7
131.08574	23.9
133.10123	48.3
135.11679	37.5
137.05940	2.8
137.13185	2.1
139.11159	4.2
141.01836	36.6
141.02904	3.9
142.07768	3.1
143.08536	11.3
144.09329	3.4
145.10126	48.4
147.11684	46.9
149.09570	2.8
149.12161	4.1
149.13258	44.5
151.03786	2.1
151.11226	3.6
155.08565	2.3
156.09300	3.7
157.10147	16.2
157.36641	2.5
158.10863	2.7
159.02902	18.0
159.11690	46.7
161.09537	2.6
161.13251	33.7
163.14816	12.0
165.12723	3.1
169.01164	2.3
169.10162	4.6
171.11650	14.9
173.13240	25.7
175.14838	28.4
177.00775	2.5
177.03912	5.5
177.12756	3.1
177.16359	15.7
178.44142	2.3
179.14310	4.3
183.11655	7.0
185.13264	12.2
187.14815	22.9
189.12718	3.7
189.16386	52.6
191.14209	4.0
191.17941	9.2
193.15858	8.9
195.11705	3.0
196.42123	2.1
197.13281	4.5
199.14870	15.5
201.16377	34.6
203.14404	3.9
203.18001	18.9
205.15860	16.3
205.19493	3.9
207.17398	18.8
211.14755	6.2
212.62428	2.0
213.16403	15.7
215.17993	23.5
217.15926	6.0
217.19518	9.7
219.17372	16.3
221.19017	5.4
223.14807	3.1
225.16386	5.7
227.17969	11.3
229.15833	2.9
229.19533	6.4
231.17351	8.0
233.18999	11.9
237.16371	2.5
239.17902	3.3
241.19472	4.6
243.17339	4.4
243.21104	3.7
245.19008	27.3
247.20801	2.9
249.18420	2.9
253.19640	4.4
255.21158	3.6
257.18988	3.9
259.20523	5.4
267.21008	4.0
269.22659	3.6
271.20496	5.4
273.22156	10.2
281.22601	4.0
285.22183	5.8
295.24136	3.8
297.26547	2.1
299.23694	5.6
313.25168	3.9
327.26917	3.4
351.17960	3.2
363.30499	2.7
365.19699	6.1
381.31592	9.1
403.33505	9.5
409.34702	7.4
417.22964	2.5
421.34637	58.2
439.35724	44.7
457.36884	4.1
516.86658	2.3
579.36884	7.8
597.38013	11.3
615.38434	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	633.3998
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
52.27282	12.3
56.96571	20.6
67.05502	43.6
69.07096	23.5
70.14157	73.2
75.25647	12.6
79.05493	23.3
81.03391	20.1
81.07055	67.0
85.02900	24.2
91.05498	40.3
93.07040	68.4
95.08611	100.0
98.20713	16.3
105.07048	52.1
107.08566	78.3
109.10177	69.7
117.07026	16.6
119.08572	80.4
121.10125	69.4
123.11645	21.8
133.10069	76.3
135.11691	42.5
137.05956	19.6
145.10109	41.5
147.11664	42.5
149.13226	18.8
159.11742	35.2
161.13237	48.1
173.13255	24.9
185.13274	25.3
187.14821	21.0
189.16402	54.7
191.17972	53.7
201.16397	30.2
203.17958	57.4
205.15968	19.5
215.18036	23.9
220.42365	13.7
297.13852	15.1
362.41107	15.8
398.24585	16.0
421.34464	73.3
439.35840	57.8
597.37762	18.6
633.21185	22.3
633.39557	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	633.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01876	1.6
55.05515	13.9
56.96562	1.8
57.07077	3.0
65.03941	2.2
67.05507	29.3
67.68886	2.0
69.03419	3.3
69.07071	15.9
69.46059	1.8
70.06572	2.8
71.01357	3.7
71.60126	3.5
72.08157	1.9
73.02913	8.1
79.05492	20.5
81.07059	64.3
83.04981	3.3
83.08627	5.9
85.02903	21.6
85.06525	2.2
91.05474	20.8
93.07044	54.8
95.01319	14.2
95.04971	4.2
95.08607	100.0
97.02890	1.7
97.06528	19.1
97.10166	5.8
99.00835	2.7
99.08129	2.2
101.02399	3.8
103.03960	3.4
103.05462	2.5
105.07034	60.2
107.04926	2.7
107.08599	69.2
107.86868	1.7
109.06506	3.2
109.10156	59.8
111.08099	15.2
113.02357	5.2
115.05447	1.9
117.07015	8.6
119.08584	78.5
121.06473	2.6
121.10144	52.2
123.08080	3.6
123.11708	18.5
125.09668	3.3
128.06247	2.6
129.06996	6.3
131.03400	5.1
131.04956	1.8
131.08577	27.3
133.10127	58.3
135.08057	1.9
135.11705	29.3
137.05984	2.1
137.09593	2.7
137.13258	4.7
139.11157	3.1
141.01834	26.1
142.07793	3.9
143.08577	11.7
144.09303	3.2
145.10120	53.3
147.11684	47.4
149.13266	43.3
151.11241	4.0
155.08568	3.6
156.09351	2.7
157.10144	16.7
159.02888	12.0
159.11696	51.5
161.05904	1.9
161.13252	39.7
163.14825	14.2
165.12773	3.4
169.10165	6.1
170.10945	2.3
171.11707	20.1
173.13272	29.9
175.11209	2.2
175.14838	31.5
177.03928	4.1
177.12775	4.3
177.16411	15.3
179.14346	2.9
181.10049	1.9
182.10985	1.9
183.11673	8.9
185.13277	15.5
187.14822	25.5
189.16394	52.0
191.14304	3.4
191.17964	11.5
193.15877	10.6
195.11696	2.2
197.13271	5.6
199.14830	13.7
201.16364	33.4
203.14313	2.5
203.17979	20.4
205.15889	20.3
207.17464	17.5
209.13373	2.5
211.14833	5.7
213.16341	13.2
215.17958	26.0
217.15906	7.3
217.19530	12.0
219.17418	13.9
221.15311	2.2
221.19049	4.0
225.16411	6.2
226.25606	1.9
227.17981	8.4
229.19560	5.9
231.17493	9.5
233.19017	10.8
239.17961	3.5
241.19508	6.3
243.17406	2.7
243.21004	4.0
245.19032	18.1
247.20702	2.4
249.18457	3.4
253.19662	3.2
255.21072	5.6
257.19046	3.3
257.22720	1.9
259.20648	5.4
263.20303	2.2
267.21130	4.0
269.22763	3.1
271.20587	4.6
273.22162	7.8
281.22617	3.7
283.24054	1.9
285.22141	7.8
309.26089	2.2
313.25375	7.0
339.26971	3.1
347.18454	2.9
363.30527	3.2
365.19592	6.9
381.31433	6.7
383.20804	1.9
403.33618	9.7
409.34637	7.7
421.34598	54.8
439.35745	34.7
457.36987	4.5
496.31418	2.3
579.36847	8.7
597.37915	14.9
615.17932	3.5
615.38593	5.4
633.18585	2.8
633.32092	2.8
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	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
50.41937	2.5
51.10137	2.4
53.55278	2.3
55.05507	6.5
56.96559	10.4
67.05512	15.6
69.07069	9.3
76.33781	2.1
77.70837	2.4
78.16559	2.1
79.05491	6.4
79.25593	2.1
80.27315	2.3
81.03378	2.7
81.07063	16.8
82.46781	2.2
83.08635	3.9
91.05511	11.1
93.07050	13.7
95.01332	8.9
95.04947	2.3
95.08604	28.9
97.06514	2.6
97.74355	2.4
105.07043	12.7
106.22833	2.2
107.08611	13.2
109.06455	2.7
109.10170	12.2
111.08082	7.2
113.02378	2.8
117.07083	3.1
119.08598	15.2
121.10112	12.4
123.11671	5.6
125.09672	3.8
129.07025	3.8
131.08604	4.7
133.10110	15.6
135.11711	10.5
136.93163	4.6
139.11151	4.4
141.01816	16.0
143.08569	4.4
145.10150	8.3
146.99568	2.8
147.04555	2.8
147.11684	9.5
149.13264	8.7
154.94170	27.1
157.10170	2.4
159.11720	9.1
161.13217	5.8
163.11160	3.7
163.14798	4.5
171.11664	5.3
172.95241	100.0
173.13268	7.0
175.14827	8.2
175.97049	2.6
177.16354	4.6
185.13266	3.1
187.14871	9.2
189.16470	5.6
190.96284	81.3
195.96872	10.4
199.14818	4.6
201.00713	2.5
201.16423	6.6
203.17975	4.3
208.97311	3.4
210.96811	6.1
213.16556	2.9
213.97891	4.5
214.96277	7.0
215.17938	5.8
219.17502	5.5
227.17921	5.9
228.97832	27.0
245.18983	8.6
246.98964	6.6
251.99355	3.0
273.22113	2.7
280.97427	3.1
285.22009	3.2
298.98431	16.9
316.99429	24.6
317.17902	32.0
335.00659	4.4
335.18869	22.0
335.25650	12.2
340.01138	3.0
381.31387	2.8
397.14542	3.5
403.97366	2.4
421.34732	12.1
439.35544	16.0
453.17102	37.8
454.17484	4.2
467.09915	2.9
471.18219	95.5
472.18347	6.6
489.18964	6.5
494.19678	9.7
500.63913	2.5
541.18481	5.0
598.38232	2.9
633.23547	40.1
633.34717	6.6
634.23785	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	633.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79617	1.5
55.01864	1.5
56.96563	18.7
57.91505	1.1
71.60580	2.3
81.03397	1.7
81.07036	2.6
84.96043	1.5
85.02914	2.7
91.05481	2.3
95.08608	2.6
97.02893	1.3
97.06529	2.2
98.97585	8.0
101.99261	1.2
105.07042	2.4
107.08578	1.2
109.02821	1.6
109.06506	1.9
110.97546	1.8
116.98628	4.8
119.08557	1.9
121.10172	1.4
126.96104	1.2
127.03911	1.3
128.98627	5.0
131.00157	1.3
133.01694	1.8
134.99677	4.0
143.03818	1.9
145.01697	1.8
146.99635	6.5
147.03291	3.5
149.01253	1.7
158.99646	2.3
159.03331	2.4
161.04909	9.2
168.50636	1.2
175.06412	1.9
177.00749	3.1
179.05925	4.5
185.04927	1.9
187.06415	10.6
199.06213	1.4
201.07971	2.3
203.09636	3.4
205.07460	9.4
215.09488	2.5
219.08992	7.1
221.10674	3.5
224.95010	1.3
229.11180	3.6
231.12691	3.3
233.10507	1.8
237.02815	2.0
247.12187	1.4
253.11107	1.7
253.14816	5.1
255.12656	36.9
257.14255	6.0
265.14966	1.5
265.18710	1.6
267.13846	1.4
267.16254	7.5
269.14105	4.3
271.15887	5.4
273.13730	38.6
275.15479	6.0
281.14197	1.4
283.15948	2.7
285.13687	1.6
285.17383	5.4
287.15274	2.8
296.15265	4.5
297.13947	3.8
298.85141	1.3
301.16867	2.7
315.66547	1.3
321.21051	1.8
321.50150	1.5
323.19040	2.9
337.20508	7.5
337.24103	2.3
339.18378	2.7
339.21997	14.1
341.19818	7.2
355.21451	3.8
355.25238	3.5
357.23123	25.5
365.23584	2.0
375.23886	1.3
381.23270	2.3
385.26480	3.7
389.23196	2.6
391.25085	1.9
393.23355	2.4
399.24207	3.2
403.27280	7.4
407.24112	1.5
409.26376	4.4
427.27176	1.6
445.21170	3.9
495.13980	2.6
529.22424	2.4
529.30457	51.2
547.31573	100.0
548.31793	3.3
589.32587	57.8
633.32623	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	633.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.96564	19.1
59.34601	1.7
67.05492	1.8
71.60378	1.9
74.97591	2.2
78.03570	1.4
81.07034	3.3
84.96033	2.0
85.02900	2.9
89.99128	1.5
95.04953	1.8
95.08583	1.9
97.06525	1.6
98.97566	6.2
107.08526	1.7
110.97512	2.5
116.98611	7.0
119.08527	2.3
121.10120	1.9
128.98601	6.6
129.02225	1.5
134.99641	3.6
145.01732	3.3
146.99689	7.8
147.03291	3.8
158.99712	2.1
159.03185	1.9
161.01294	1.8
161.04837	11.0
173.50769	1.8
177.00735	4.0
179.05916	6.4
187.06390	10.5
201.08003	4.3
203.09569	4.3
205.07515	8.0
211.10106	2.5
215.09598	2.1
217.07341	1.7
219.09044	10.7
221.10693	5.1
222.86763	1.4
227.09409	1.5
229.11119	3.2
231.12830	2.0
233.10614	3.7
237.02861	3.4
237.11649	2.3
253.14709	5.7
255.12679	41.5
257.14279	6.2
267.16238	8.3
269.14163	5.7
271.15863	5.3
273.13712	47.7
275.15253	6.8
283.15790	5.2
285.17422	6.3
287.15268	3.8
295.19244	1.8
296.15381	4.0
297.13733	5.9
323.18860	4.5
335.22534	2.8
337.20462	8.8
337.24261	4.9
339.18292	3.0
339.22046	16.3
341.19836	10.3
353.23544	1.6
355.21408	4.8
355.25232	4.6
357.23172	27.4
369.23035	2.4
381.22931	1.7
383.24756	3.5
385.26343	5.0
391.25220	3.2
399.24097	4.3
403.27106	7.0
409.26349	4.6
445.20880	6.1
445.27530	1.7
529.30518	62.1
530.30731	1.6
547.31567	100.0
548.31970	2.6
589.32648	60.0
590.32593	2.1
633.32562	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03296	0.3
69.03432	1.3
69.73383	1.9
81.03430	0.9
81.07051	0.4
85.02886	1.6
87.09789	0.3
97.02891	0.8
105.07027	0.6
107.04952	3.8
108.05310	0.5
109.02868	0.4
127.03892	0.6
173.02974	0.5
176.55858	0.3
185.04272	0.5
225.07973	0.3
226.11914	0.3
243.63246	0.3
245.05095	0.6
253.05695	0.4
301.06931	0.6
351.09183	0.7
379.08899	0.8
463.12146	0.6
471.12698	0.8
481.13150	1.8
633.17877	100.0
634.18219	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1786
Annotation	Pyranoamentoflavone 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
54.58598	0.3
70.06595	0.8
70.10086	1.2
70.10501	0.7
72.08173	0.4
79.04135	0.3
81.03415	0.5
84.04530	0.3
84.08133	0.3
84.98253	0.3
85.02882	0.6
86.09705	0.5
89.07172	0.4
97.02900	0.7
107.04961	2.3
108.05350	0.3
113.58729	0.3
137.05907	0.3
140.81355	0.3
149.56998	0.3
185.04205	0.5
287.05569	0.4
317.08487	1.8
337.08994	0.9
338.04272	0.4
338.08826	0.4
463.12323	0.3
471.12778	0.5
481.13589	0.9
533.74103	0.3
633.17920	100.0
634.18304	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	632.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01868	3.1
55.05506	1.0
55.73862	0.4
57.03426	1.3
58.06611	0.4
58.99580	0.5
61.01125	0.5
61.02916	1.2
67.05489	1.4
68.05009	0.8
68.99782	0.9
69.03432	8.4
69.07055	0.8
70.02937	0.7
70.06588	1.4
70.22128	1.4
70.22540	1.0
71.04986	1.2
73.02914	5.5
76.02229	1.5
79.05482	3.2
81.03418	9.4
81.07059	4.0
83.08600	0.4
84.04508	0.7
84.08136	0.6
85.01186	0.5
85.02903	11.9
86.00663	0.9
86.06052	1.8
86.09707	1.1
87.00826	5.7
88.02214	3.0
88.03469	0.7
88.03986	11.2
91.03991	0.7
91.05474	5.9
93.07041	4.9
95.04948	0.9
95.08598	2.2
97.01093	1.4
97.02891	5.1
98.20747	0.5
99.04454	2.8
100.02213	0.8
105.01846	2.3
105.07029	9.5
106.06529	1.4
107.04935	1.4
107.08585	1.3
109.02876	6.2
109.06504	0.9
110.06077	0.7
111.02686	0.5
114.58072	0.5
115.05423	0.6
117.01857	1.0
117.07009	7.4
119.04956	0.5
119.08598	5.4
121.06522	0.6
121.10174	0.7
122.02743	3.0
122.05949	0.6
127.03908	7.8
128.01675	0.5
128.06209	3.0
129.01831	1.0
129.07001	7.5
130.05020	0.5
130.07785	1.0
131.08560	12.7
132.01126	2.2
133.06433	0.8
133.10181	2.1
134.02708	0.8
134.06035	4.1
135.02664	0.5
135.08011	0.7
137.05940	0.7
141.06993	1.6
142.07741	2.4
143.08556	21.7
144.09297	0.6
145.04970	2.7
145.06453	0.5
145.10117	27.8
147.02647	3.7
147.08012	1.1
147.11684	5.0
149.04211	1.5
149.09615	0.9
153.06958	0.8
154.07803	1.3
155.08533	4.1
156.09314	3.8
157.06467	1.6
157.10112	3.8
158.10902	0.6
159.02866	3.0
159.08067	1.3
159.11725	1.7
161.04210	4.2
161.06001	0.6
161.09616	0.6
163.05756	1.9
165.07050	0.7
165.09123	0.4
166.07791	1.0
169.10120	7.0
170.10907	1.4
171.08092	1.0
171.11681	22.6
173.09662	3.2
173.13255	21.0
175.05786	1.2
175.07518	1.7
175.11238	0.8
175.14824	4.2
177.07550	1.0
177.09100	6.3
177.75006	0.4
178.04964	1.3
181.10124	5.8
183.11693	1.9
184.08923	1.0
185.09596	1.1
187.11166	2.3
189.09142	0.9
189.12749	1.3
191.10646	0.7
197.09651	1.2
199.11180	13.7
201.07469	0.4
201.12744	3.1
203.06966	0.7
203.08871	11.6
203.10635	1.0
205.10471	3.4
207.04691	0.6
209.06364	3.7
209.09747	0.6
210.31976	0.6
215.08807	0.6
215.10641	1.2
217.12239	12.2
217.14287	0.8
219.13786	3.0
221.10027	1.3
227.10655	4.4
229.10413	0.6
231.05000	0.7
231.08362	2.6
233.09935	1.4
238.07051	0.8
245.11769	3.6
249.09430	9.1
251.11064	4.0
252.08855	0.4
256.08206	0.9
259.07996	0.7
263.12833	1.8
274.09256	1.5
274.12311	0.8
275.11035	0.8
277.08984	3.0
279.10422	0.4
292.13641	0.5
295.09985	5.9
297.11566	1.3
313.11145	0.5
320.13113	4.4
338.14227	6.7
348.12613	1.5
366.13889	3.2
367.12021	4.8
380.15268	0.5
384.14734	100.0
385.15173	3.2
426.15796	4.3
430.16757	0.6
474.15930	2.4
578.16852	2.7
596.17902	1.1
614.19116	1.2
617.55750	0.5
621.25659	0.5
632.19965	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	631.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.2
56.96511	12.4
56.96821	1.0
67.05439	0.3
69.84074	1.2
71.95258	1.7
72.95995	0.7
74.97609	1.1
79.05432	0.3
81.07018	0.3
84.95980	0.8
86.97551	0.3
91.05413	0.4
91.27371	0.2
92.98625	0.4
93.06976	0.3
95.08506	0.4
97.96822	0.5
97.99091	0.3
98.21556	0.3
98.97528	0.4
102.96989	0.3
104.55792	0.2
105.07011	0.2
110.97501	1.0
115.97762	0.8
116.98528	0.4
121.10045	0.2
123.01134	0.4
128.98622	2.9
133.98813	0.6
134.99593	0.2
137.02715	0.3
141.02153	0.5
143.00150	0.2
145.09991	0.2
146.99652	6.0
147.03154	0.2
152.00076	0.3
155.03751	0.7
161.01225	1.2
165.00658	1.5
169.05356	0.2
170.01210	0.3
171.03264	0.5
175.02777	0.4
179.02206	0.6
179.05791	0.4
185.04810	0.4
189.04286	1.0
193.03731	0.3
197.08504	0.4
201.04308	0.4
203.05859	0.9
205.07289	0.4
217.07343	0.3
221.06786	0.2
223.08400	0.6
224.07214	0.2
225.07864	0.5
237.10072	0.4
243.09052	0.3
249.08110	0.2
263.09616	1.0
265.11078	0.4
277.11057	1.9
278.11752	0.5
281.10623	0.4
286.10999	0.3
291.12573	0.5
295.12082	0.6
303.50067	0.2
315.16440	0.4
317.17853	26.5
333.17413	2.3
335.18921	100.0
336.19263	0.9
340.78226	0.2
353.19995	32.5
358.20532	15.9
359.20920	0.3
371.21152	0.7
376.21606	4.8
399.23221	0.6
595.40332	3.7
613.42291	0.4
631.45203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95070	6.3
55.05510	20.4
56.96561	8.2
67.05492	23.0
69.03387	6.8
69.07065	29.4
69.94099	31.3
79.05485	22.4
81.07037	45.7
83.08605	11.2
84.61941	5.9
85.02898	21.0
88.11722	6.6
91.05467	25.0
93.07043	42.4
95.05007	12.2
95.08602	79.7
105.07015	40.4
107.08608	44.9
109.10143	40.1
110.73863	5.4
111.08120	6.8
112.57480	5.3
114.54193	7.5
117.07014	6.2
119.08574	100.0
121.10148	58.4
123.11673	15.8
131.03397	7.9
131.08543	19.0
132.27208	6.0
133.10136	75.8
135.11711	44.9
137.13280	11.9
141.01852	8.1
143.08572	6.2
145.10123	42.7
146.99599	8.3
147.11639	47.6
149.13289	13.8
157.10120	15.2
159.11696	52.5
161.13274	40.5
163.14819	23.2
171.11711	8.0
173.13295	16.1
175.14812	25.3
177.16380	16.7
185.13232	12.6
187.14813	75.1
187.60287	6.0
189.16377	68.6
191.17917	81.8
201.16397	87.7
203.17943	57.2
212.93683	7.0
213.16423	9.1
215.18015	32.1
217.19489	11.5
219.17421	8.7
227.18037	7.8
229.19507	17.6
241.19495	12.9
247.16896	47.0
255.21252	6.5
261.18549	11.6
287.20004	8.8
349.16766	13.0
371.27753	7.9
391.33603	24.0
437.34174	75.0
444.84799	6.2
631.20721	26.9
631.38104	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	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51258	6.5
55.05511	10.6
57.07087	7.1
60.75641	5.5
65.48872	6.0
67.05508	39.0
68.83251	6.0
69.07062	20.5
69.45421	13.4
69.45829	52.8
79.05502	20.9
81.03403	10.2
81.07043	51.9
83.08640	11.5
85.02900	20.0
91.05498	30.7
93.07032	45.6
95.04970	9.2
95.08614	79.6
97.06533	20.1
98.20763	12.3
105.07011	69.9
107.08591	65.1
109.10165	53.9
111.18987	6.9
117.07010	10.1
119.08581	100.0
121.10139	48.7
123.08018	9.1
123.11708	16.3
128.06161	7.6
131.08597	23.6
133.10127	82.5
135.08034	8.8
135.11700	39.0
137.05888	8.6
141.01819	11.7
145.10132	41.0
147.11665	54.5
149.13235	42.0
157.10120	27.3
159.02957	14.1
159.08116	7.0
159.11670	48.9
161.13246	54.8
163.14857	10.0
169.10092	7.7
171.11674	30.2
173.13255	36.6
175.14813	37.5
177.16435	8.4
183.11679	8.5
185.13260	20.2
187.14876	27.3
189.16348	64.6
191.17947	13.4
191.28358	6.4
193.12318	8.3
197.13290	9.1
199.14874	18.9
201.16458	26.0
203.17943	27.9
205.15854	13.8
207.13760	7.7
207.17503	14.7
211.14915	8.4
213.16432	19.7
215.17938	15.4
217.15930	13.9
217.19714	9.9
221.15384	38.1
231.17410	17.5
247.16893	9.0
249.18620	17.3
349.16815	19.8
397.31024	20.3
419.32953	16.5
425.34149	10.7
437.34143	68.6
455.35101	13.3
560.96948	7.3
595.36365	11.9
631.21198	13.2
631.35455	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	630.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01863	1.4
55.05496	2.9
57.03428	1.2
60.15284	0.6
61.02911	1.4
67.05513	4.9
69.03416	2.8
69.07061	5.2
70.06595	0.9
70.93061	1.6
71.04974	4.0
79.05486	5.3
81.03403	2.2
81.07053	16.6
83.04980	7.3
83.08610	2.2
84.04452	0.7
85.02902	7.9
85.06518	3.4
86.09669	1.0
91.05473	4.7
93.06461	1.4
93.07037	21.3
95.04971	7.0
95.08607	21.0
97.02880	2.5
97.06530	14.5
99.04457	11.2
99.08037	0.7
105.07030	12.6
107.04945	2.4
107.08591	12.8
109.02853	0.6
109.06516	14.4
109.10138	2.7
111.04498	1.3
111.08081	8.4
113.05986	2.4
116.98649	0.7
117.07013	1.0
119.04862	0.7
119.08582	7.5
121.06499	42.3
121.10123	2.5
123.04421	1.4
123.08051	2.7
123.11694	3.3
125.06011	7.0
127.03922	1.4
127.07583	4.7
129.06970	2.0
131.08551	1.5
133.06483	1.9
133.10124	9.2
135.04367	2.9
135.05257	0.7
135.08038	4.8
137.05956	2.8
137.13237	1.1
139.07536	13.3
141.05376	1.2
142.07730	0.9
143.07031	4.6
143.08539	2.6
145.04950	1.8
145.10138	3.6
147.08044	2.7
147.11685	20.7
149.09570	0.9
151.11156	3.0
155.07011	0.9
155.08244	0.7
156.09296	1.1
157.08600	6.1
157.10101	7.1
159.06538	6.5
161.06004	1.2
161.09593	0.8
161.13211	5.9
163.14812	1.4
163.74222	0.6
165.12758	7.4
166.07739	0.7
169.12227	9.5
171.11664	6.9
173.08154	1.0
173.09570	2.0
173.13225	1.2
175.11180	18.1
180.08644	2.2
181.10126	2.9
184.08806	0.9
189.12749	12.5
191.10583	0.9
191.14380	0.7
193.12247	16.4
199.11186	16.2
207.13809	7.7
211.13272	16.8
217.12233	44.0
229.14359	8.8
235.13287	65.5
236.13672	0.9
253.14345	100.0
271.15390	26.1
289.16449	30.5
298.34335	0.7
327.74500	0.7
500.86798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01864	4.7
55.05259	2.1
55.05509	23.5
57.03206	1.6
57.03433	15.3
61.02924	31.2
65.03949	3.3
67.05170	3.4
67.05503	48.3
69.03430	18.2
69.07068	22.5
71.01366	2.9
71.04992	12.9
73.02910	13.5
75.71793	1.8
77.81142	1.6
79.05492	29.5
81.03411	12.5
81.07053	91.7
83.04997	9.2
83.08621	13.8
83.45016	1.8
85.02425	2.3
85.02900	31.0
85.06532	7.1
87.04480	2.2
91.03955	15.1
91.05476	36.0
93.07047	29.5
95.04980	6.0
95.08601	100.0
97.02888	23.7
97.06530	18.9
97.10149	5.4
99.04451	6.3
99.08078	7.3
101.02376	7.5
103.03933	3.6
105.07028	35.2
107.08587	15.0
109.02863	7.0
109.06505	5.0
109.10141	11.0
111.08099	5.1
113.09660	2.2
115.03930	4.2
115.07547	1.8
117.06996	3.2
119.08576	42.7
121.10143	13.3
123.08086	8.4
123.11685	1.5
125.05981	2.1
127.03909	11.8
129.05495	2.9
129.06964	2.7
131.08546	4.8
133.10139	29.9
135.08044	2.0
135.11700	13.5
137.09584	5.6
137.13245	10.2
143.08560	2.4
145.04976	3.8
145.10118	4.3
157.10037	1.6
159.06570	2.5
159.11702	3.0
161.13248	75.2
163.11227	2.3
167.10713	2.7
171.06531	2.3
171.11816	2.0
173.13269	3.1
179.12720	3.4
179.14304	72.2
183.06514	4.4
189.12756	1.6
197.15298	5.8
201.07536	3.4
207.11792	1.7
207.13911	2.3
215.82326	1.6
221.15318	2.7
233.15479	4.6
236.95262	1.9
253.17970	30.4
271.19083	6.9
357.27896	5.2
375.28812	6.3
397.21957	2.8
449.32700	17.0
467.33719	14.2
513.59796	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.0
56.96964	0.4
57.03426	0.2
58.73600	0.1
59.91064	0.1
66.86313	0.1
69.03407	0.3
71.60188	0.2
71.94946	0.1
71.95258	1.6
72.96048	1.1
74.97590	0.4
81.07052	0.2
84.96040	1.1
85.02866	0.5
89.75279	0.1
92.98638	0.4
93.07027	0.1
93.31073	0.1
94.52634	0.1
95.08585	0.2
97.02882	0.2
97.96301	0.2
97.96870	0.4
98.97591	0.7
105.00126	0.2
107.08596	0.1
110.97620	0.5
110.99668	0.2
115.00665	0.1
116.98614	0.5
123.01162	0.4
127.03869	0.2
128.98586	0.5
131.00110	0.2
134.99600	0.2
137.02760	0.2
146.99623	0.6
149.01221	0.2
151.04315	0.3
155.03799	0.9
158.99742	0.2
167.03868	0.1
167.06989	0.5
169.05362	0.8
173.04834	0.3
175.02873	0.2
177.00671	0.1
181.05156	0.2
185.04932	0.3
187.02765	0.2
189.04308	0.2
195.06911	0.4
197.08467	0.5
199.06418	0.2
201.08014	0.1
205.08966	0.1
207.10437	0.2
212.07149	0.2
213.07867	0.2
217.07483	0.2
219.01607	0.1
221.08292	0.2
223.09944	2.9
223.11911	0.2
225.11588	0.4
229.07486	0.4
230.08148	0.2
235.09993	2.5
237.11589	0.4
241.11115	25.0
242.11365	0.2
243.12572	0.2
245.10419	0.4
247.08517	0.3
249.11717	0.3
251.09692	0.2
253.11101	49.0
254.11490	0.5
255.12779	0.8
259.12177	44.0
260.12512	0.5
261.12451	0.2
264.12708	1.3
267.12686	2.6
271.12155	100.0
272.12543	1.1
273.13483	0.3
276.12634	1.1
277.13177	0.4
279.12613	0.2
281.14270	0.3
282.13721	1.2
283.12259	0.3
285.13705	2.4
289.13220	5.5
290.13940	0.1
292.55450	0.1
294.13748	7.1
295.11990	1.8
297.13882	0.3
299.15329	0.4
303.14789	0.2
308.15094	0.2
312.14740	0.3
313.13217	2.6
324.99655	0.2
325.13168	0.9
325.16498	0.2
327.14816	1.2
336.14761	0.3
341.16382	0.3
348.01810	0.1
355.14368	1.4
357.15686	0.1
385.15427	0.4
397.15341	0.8
415.16388	24.1
416.16595	0.3
423.23993	0.1
467.26822	30.1
468.27188	0.4
481.28561	0.4
505.16702	0.2
509.27896	2.0
629.31140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00042	0.3
53.03952	1.2
53.43620	0.2
59.51775	0.3
67.01861	0.6
69.03429	3.2
71.04996	0.6
71.59103	0.3
71.59441	0.3
79.05521	0.3
81.03417	5.2
83.01392	0.2
85.02911	2.4
95.04975	0.8
97.02896	3.9
99.04447	1.5
107.04958	100.0
108.04490	0.4
108.05277	1.1
109.02875	3.7
115.40160	0.2
119.42573	0.3
127.03923	15.0
141.10811	0.2
145.04968	0.7
153.05482	1.4
164.68816	0.2
173.06021	0.3
179.03426	1.0
187.07588	0.3
213.09460	0.2
215.07013	1.7
233.08107	2.3
243.06532	0.9
261.07562	1.6
279.08643	18.4
297.09821	0.7
311.66278	0.2
367.11688	0.4
376.38718	0.3
413.12338	1.8
431.13379	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	628.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	0.4
57.03420	0.7
61.02934	0.3
67.01868	0.4
67.49209	0.2
69.03429	6.2
70.89410	0.7
71.04979	0.8
75.14386	0.2
78.32647	0.2
79.05484	0.8
81.03417	6.3
85.02903	6.1
87.04454	0.4
95.04966	0.7
97.02893	6.7
99.04458	2.3
107.04955	100.0
108.04533	0.5
108.05286	1.2
109.02882	4.1
127.03915	15.9
128.04294	0.4
145.04958	5.6
149.05988	0.4
153.05470	5.8
173.05969	0.4
177.05579	0.3
179.03407	0.7
191.06944	0.3
215.07082	1.9
219.06459	0.4
225.07637	0.3
233.08127	0.9
237.07675	0.3
243.06544	0.5
261.07599	1.6
279.08630	12.2
280.09042	0.5
297.09689	7.4
298.09775	0.2
321.09784	0.3
367.11783	0.3
413.12354	0.7
431.13318	1.6
523.71210	0.3
599.41254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01875	19.5
55.05512	32.2
57.03439	17.0
67.05510	85.4
69.07081	44.7
69.84186	34.0
73.12099	6.0
79.05494	70.2
81.07058	91.0
82.24715	6.3
83.04983	8.4
83.08632	15.0
91.05482	60.7
93.07045	74.4
95.04957	24.4
95.08611	72.7
97.06533	20.8
97.10170	13.2
105.07024	56.7
107.04953	12.1
107.08595	45.9
108.56036	5.8
109.06547	11.0
109.10173	38.7
111.04424	6.7
111.08028	8.4
114.45580	6.6
117.06996	21.6
119.08579	48.7
121.10159	39.9
123.08068	10.0
125.09592	8.5
129.07039	8.9
131.08551	46.4
133.10110	32.7
135.11684	27.8
137.09605	8.7
143.08556	11.7
145.10141	41.9
147.11697	23.7
149.09592	24.5
149.13289	9.8
151.11145	6.6
155.08665	7.1
156.30605	5.9
157.10164	13.6
159.11752	29.1
161.13269	11.4
163.11218	12.4
163.14804	7.5
169.10178	12.3
171.11707	22.9
173.13310	16.0
183.11754	10.3
185.13297	19.0
187.14822	8.4
197.13277	7.0
199.14899	7.4
203.14307	6.8
219.17462	7.4
223.13234	6.4
227.12825	7.5
235.57053	6.9
239.18018	11.5
257.18674	7.2
275.20081	78.4
293.21146	10.4
308.77823	6.3
333.24475	9.1
335.22223	9.4
335.25726	43.3
347.93143	7.3
349.23792	26.5
501.34494	5.7
515.37537	10.3
529.39557	9.2
535.41510	9.6
555.40155	10.7
609.45105	59.3
617.30853	5.7
627.46405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.9
56.96568	16.1
66.90083	0.3
67.05489	1.2
69.77193	1.8
71.95271	1.9
72.96040	0.9
74.23720	0.4
74.97599	1.3
79.05490	0.6
81.07052	0.7
84.96016	1.2
92.98615	0.5
93.07040	0.8
95.08574	0.6
98.97583	0.4
105.07011	0.7
107.08552	0.5
110.97616	1.1
116.98663	0.4
123.01188	0.6
128.98598	3.9
131.00139	0.4
133.98904	0.8
141.02190	0.6
146.99657	8.6
147.03285	0.5
155.03819	0.5
161.01221	2.2
161.04865	0.4
165.00758	3.5
169.05411	0.5
170.01268	0.8
171.03300	0.5
175.02681	0.4
179.02328	0.9
179.05936	0.6
179.07516	0.4
185.97809	0.4
189.04343	1.5
193.03912	0.6
203.05879	0.9
217.07582	0.5
221.06749	0.4
223.08470	0.4
225.07913	0.4
227.09470	0.6
231.08997	0.4
235.06490	0.4
237.10112	0.6
241.11063	1.0
244.09676	0.6
245.10576	0.7
259.12296	1.2
263.09555	1.5
264.10400	0.4
265.11276	0.5
270.11411	0.5
273.48676	0.4
277.11179	0.7
281.10590	0.9
289.11243	0.8
303.12662	1.7
313.14755	0.8
315.16296	33.5
316.16681	0.4
317.14114	0.7
321.13785	1.2
331.15665	2.1
333.17368	100.0
334.17609	0.9
349.16656	0.5
351.18433	26.2
356.19009	12.9
374.20087	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.0
53.14032	4.1
55.01865	16.2
55.05518	43.7
57.03434	12.2
57.07075	5.3
65.03934	7.9
67.05505	97.2
69.07070	31.7
70.19422	15.8
70.88879	4.2
71.05004	10.4
79.05492	73.3
80.40536	4.5
81.03419	12.9
81.07059	100.0
83.04977	11.7
83.08620	16.7
85.06549	6.0
85.50791	4.8
85.51290	5.5
91.05483	63.1
93.07048	84.5
95.04975	29.7
95.08603	65.6
97.06537	27.6
97.10172	13.4
98.21417	5.3
99.04369	4.8
99.08111	6.9
105.07042	43.0
107.04975	14.4
107.08588	51.3
109.06552	8.9
109.10132	30.0
117.07042	18.9
119.08592	37.1
121.06503	5.7
121.10156	28.2
123.08089	7.7
123.11669	6.7
125.09651	8.6
129.07004	15.2
131.08580	32.1
133.10120	30.3
135.11671	19.7
137.13295	7.3
143.08565	11.4
143.27663	5.2
145.10126	37.5
147.11684	22.0
149.09644	19.9
149.13289	11.7
151.11172	5.7
155.08640	5.2
157.10149	11.5
159.11729	19.4
161.13283	12.9
163.11191	12.6
169.10094	7.8
171.11739	11.7
173.13281	12.1
175.14948	7.5
179.14291	6.4
183.11703	9.3
185.13264	9.4
187.14848	9.2
189.11263	6.7
197.13203	10.5
199.14828	7.9
201.16418	7.1
209.13220	6.0
219.17540	6.5
223.13304	14.1
227.12877	7.4
229.19550	5.9
239.17847	5.7
257.18988	13.3
259.20569	9.3
261.22165	10.1
263.01471	5.7
275.20035	59.3
277.21646	9.0
285.62497	4.9
293.21167	9.9
335.25867	28.8
349.23743	15.4
387.00916	6.1
515.37421	7.6
529.38818	35.8
535.41437	6.7
555.40570	7.6
609.45221	39.3
627.46497	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.4
56.96558	7.8
57.03442	2.9
57.07084	3.0
64.73073	2.1
65.03928	3.8
67.05508	24.8
69.03427	2.5
69.07053	10.9
69.47501	15.5
71.01358	2.1
71.05003	2.5
73.02908	7.1
77.03965	2.0
79.05492	21.0
81.03407	3.4
81.07053	42.2
83.08624	4.7
85.02895	16.0
91.05478	31.9
93.07043	49.9
95.04987	5.5
95.08605	71.9
97.06550	4.4
97.10162	3.2
101.02380	3.0
103.03935	6.3
105.06509	1.4
105.07030	60.9
107.08595	68.4
109.06522	4.0
109.10148	43.4
109.54838	1.8
111.08068	6.0
115.05482	2.0
117.07025	8.2
119.08577	82.4
120.07999	2.0
121.06542	3.5
121.10146	40.3
123.04453	2.2
123.08074	12.9
123.11704	13.4
128.06230	2.2
129.07018	6.4
130.07768	2.2
131.03404	2.4
131.08571	23.1
133.10129	69.9
135.08069	6.4
135.11707	28.3
137.05983	5.8
137.09578	2.4
137.13252	5.2
141.01865	2.3
142.07803	8.9
143.08563	17.7
144.09320	2.6
145.06529	2.4
145.10115	46.9
147.08029	5.4
147.11687	43.3
149.09573	5.6
149.13257	38.0
151.07552	3.7
151.11221	3.2
155.08582	8.3
156.09343	6.0
157.10132	31.0
158.10916	2.3
159.11694	62.8
161.09576	14.1
161.13260	46.3
163.07555	2.5
163.14821	8.7
167.07065	3.4
169.08731	3.7
169.10091	16.5
170.10944	8.9
171.11687	36.5
171.13115	2.4
173.09607	4.9
173.13258	38.1
175.11230	7.1
175.14795	23.7
177.12724	2.4
177.16426	9.0
181.10077	3.9
182.10887	3.9
183.11685	16.8
184.12379	2.0
185.13274	29.8
187.11197	7.9
187.14809	21.8
189.09164	3.7
189.12843	9.4
189.16374	100.0
191.14371	3.2
191.17979	8.9
193.08656	5.0
193.10237	2.9
195.10103	2.7
195.11713	5.5
196.12398	2.8
197.13216	12.4
199.11212	2.7
199.14835	28.7
201.12718	4.1
201.16342	34.3
203.10907	2.0
203.14291	21.2
203.17929	19.9
205.12167	3.5
205.15900	4.7
207.10173	6.9
207.17450	2.1
209.13277	6.2
211.14832	10.5
213.12814	2.0
213.16393	10.7
215.14331	6.1
215.17915	17.7
217.12184	4.9
217.15897	12.0
217.19533	3.1
219.13860	5.4
223.14827	5.3
225.16371	6.5
227.10800	2.8
227.14288	3.4
227.17958	5.8
229.15825	3.8
231.13791	11.2
231.17410	4.2
233.11778	3.0
233.15356	5.3
237.16501	3.1
239.17982	3.2
241.19632	1.9
243.13857	6.2
243.17448	2.9
245.15341	13.9
247.16881	2.5
249.14748	3.4
251.17978	4.4
253.19749	2.4
257.15433	8.0
259.16879	2.5
261.14951	3.2
263.16330	4.0
271.16885	3.1
275.13361	4.0
275.16302	22.3
285.18680	3.1
287.16501	4.6
289.17868	4.1
291.16342	25.1
293.14127	3.2
297.18500	2.6
301.18076	6.1
303.19571	5.5
315.19614	4.1
325.21561	2.3
327.19510	2.2
335.18347	2.3
341.21185	3.1
347.18573	4.5
357.24478	3.7
361.20328	11.7
365.19626	26.4
377.19559	4.4
379.21173	6.6
391.21237	4.9
405.31555	3.3
411.28714	6.4
412.36569	2.1
421.22696	6.9
423.32092	2.3
433.31110	15.8
439.32080	5.5
451.32068	85.0
452.32434	2.4
469.33170	7.6
479.31549	3.6
541.26929	3.5
563.34479	2.4
573.31140	2.3
581.34589	6.3
583.28247	5.8
591.33081	4.9
609.27246	2.2
609.34760	17.8
627.27350	6.9
627.36267	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	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.73632	0.9
56.06373	0.8
67.05496	2.4
69.34344	7.3
77.55064	0.8
78.52391	0.7
79.05432	0.9
81.07056	1.2
90.43807	0.7
91.03892	0.7
91.05484	1.9
93.07053	1.4
95.04946	1.0
118.06501	0.7
121.10201	0.8
131.07251	1.0
133.10054	0.9
136.07611	1.3
146.06079	0.9
146.09671	0.8
174.09151	4.8
186.09161	0.9
187.12267	4.2
188.10764	2.0
211.08708	1.8
211.12419	0.8
212.09348	1.1
213.13881	1.4
214.11313	0.8
215.11792	2.6
223.08760	1.6
224.09454	1.1
225.10263	3.6
227.11800	3.0
235.08755	1.4
238.10983	1.0
239.11826	2.5
241.13364	2.3
243.11288	22.9
249.10284	2.5
251.07976	0.9
251.11952	1.2
252.09024	0.9
253.09613	2.0
263.11771	1.1
265.09738	1.0
267.11307	6.7
269.12732	2.6
277.09839	2.0
278.10440	1.0
285.12436	2.5
295.10815	3.3
299.13904	1.8
300.11490	0.9
301.15457	3.8
309.12482	2.2
313.13040	1.1
314.13010	1.7
316.10757	1.4
316.14240	1.0
318.12402	0.9
319.10907	1.4
320.14185	1.5
325.15518	8.6
327.13403	5.9
328.10837	2.4
328.14127	1.5
329.11832	1.3
329.15506	0.9
330.12277	2.6
332.14090	1.1
334.15787	1.6
342.12408	3.3
343.13226	3.4
344.10403	1.0
344.13803	4.4
344.17572	1.0
345.14722	1.5
346.15527	3.2
348.13391	3.7
351.13687	1.3
356.13806	3.8
357.14655	2.2
358.15656	3.1
360.17334	1.3
366.18378	1.1
369.15027	1.1
370.11423	1.1
370.15634	2.9
372.12991	1.1
372.17206	4.8
374.14908	1.2
386.14407	1.4
386.18655	2.4
388.16812	1.0
390.17862	0.8
398.14914	0.9
400.16443	2.7
407.14923	1.6
408.16415	1.1
412.16498	0.9
421.16547	1.3
422.17728	1.5
430.17645	1.6
431.18515	2.6
432.19281	3.8
433.20322	1.1
434.18011	1.0
435.13998	1.4
437.20093	1.8
445.20612	1.1
447.22314	1.8
449.15378	1.4
450.16632	1.6
451.17807	2.7
459.17978	1.0
460.18677	1.6
461.23730	1.6
462.24146	2.3
463.22183	4.5
465.18820	14.3
466.19580	0.9
478.20108	1.7
479.20245	5.3
480.21704	3.3
481.22385	3.8
489.23001	1.2
490.21280	1.2
492.21597	2.8
493.22888	3.8
495.16730	1.2
495.23718	1.2
504.21213	3.0
506.22980	1.3
507.24173	3.9
517.22369	1.4
528.60767	0.9
535.23492	6.4
539.26514	1.0
541.23962	1.4
549.25055	11.2
553.24194	1.8
567.26038	70.2
568.26654	1.7
577.24219	2.3
595.25494	46.7
596.25873	1.4
627.28088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.87410	0.6
55.01857	1.7
56.96561	1.5
57.03423	1.9
61.02916	1.3
67.05505	1.5
68.99795	0.9
69.03426	8.5
70.06926	3.5
71.04972	1.7
73.02898	2.6
77.22574	0.6
79.05487	1.0
81.03410	8.4
81.07047	1.5
85.02905	20.4
87.00834	5.7
91.03933	0.9
91.05475	2.2
93.07031	1.3
95.04963	1.0
95.08586	1.0
97.02895	4.8
98.09713	1.2
99.04460	3.4
103.05499	0.8
105.01874	3.9
105.07039	8.7
109.02879	5.3
109.06499	3.1
109.10153	0.9
115.05464	0.7
117.01900	0.8
117.06989	1.5
119.08553	2.3
121.06499	2.0
127.03062	1.1
127.03921	11.3
128.06223	2.4
129.01837	1.0
129.07016	1.6
131.08540	3.6
133.06439	1.0
133.10150	2.1
142.07716	1.9
143.08562	8.7
145.04948	4.0
145.06473	3.6
145.10179	1.0
147.08087	2.3
149.05998	1.0
149.09723	0.8
153.01924	0.7
157.06578	0.7
157.10152	4.2
158.07312	0.8
159.02901	3.3
159.08064	8.1
159.11746	0.8
161.09619	10.9
163.03893	0.7
163.07564	1.2
167.08556	1.3
170.07202	0.8
171.08063	11.1
173.05948	2.1
174.06749	0.8
179.10670	2.7
183.08009	0.8
185.09615	7.8
188.08365	1.1
189.09108	31.9
191.07010	0.8
195.08046	1.7
198.06721	1.6
201.09120	0.9
203.10638	2.0
207.10167	3.1
213.09132	7.2
231.04997	1.3
231.10226	4.4
241.08586	1.1
249.11456	0.8
259.09793	1.6
259.12360	0.6
277.10712	100.0
278.11081	1.2
357.05054	0.7
379.17459	7.3
433.22131	0.8
441.18112	0.8
459.38898	0.7
583.28864	0.8
627.29755	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	627.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71199	0.2
55.01852	0.2
55.05478	0.3
56.96559	1.8
65.00262	0.2
65.03907	0.3
67.05485	0.3
69.03426	0.4
69.07048	0.3
70.06560	1.0
71.60103	0.5
71.98788	0.2
79.05476	0.3
81.07032	0.3
85.02891	0.4
86.09702	0.5
87.82200	0.2
91.05458	0.9
95.04927	0.4
102.04651	0.5
105.06999	0.7
106.26957	0.2
107.04937	0.4
109.06496	0.2
110.03636	0.6
111.04379	0.3
119.04890	0.8
119.08590	0.3
121.06579	0.3
123.04395	0.6
124.05183	0.4
130.04146	1.0
131.04913	0.6
133.06464	0.3
135.04344	0.4
136.05162	0.6
137.05965	1.3
145.02808	0.3
145.10118	0.5
146.03632	1.5
147.03345	0.3
147.04391	2.2
148.05179	2.6
151.03925	0.3
153.01817	2.7
161.04822	0.5
161.05965	2.4
162.06752	0.8
163.02705	0.2
163.03896	1.0
167.07104	0.5
171.03050	0.3
179.05890	0.3
199.14584	0.3
203.03372	1.7
213.05487	0.3
229.04988	2.6
233.08278	0.3
235.09773	0.2
241.04922	0.6
242.05724	6.8
253.04942	2.6
253.11276	0.3
254.05595	0.3
257.04453	39.2
258.05225	10.3
259.05856	0.4
269.04434	1.3
270.05276	1.8
271.06003	0.9
283.05972	0.5
285.03928	6.3
286.04715	24.3
287.05484	11.7
291.16269	0.6
295.06177	0.4
297.03925	4.2
299.05396	1.4
309.17258	0.3
311.05380	0.6
323.05289	0.3
327.04944	1.6
329.06445	0.3
337.80023	0.3
341.06509	1.3
343.19269	1.4
361.20422	2.6
373.07126	0.4
379.21436	0.7
387.08536	0.4
391.07968	0.4
403.08148	1.0
415.08112	1.0
421.22739	0.4
432.08392	2.7
435.10828	4.2
447.10748	18.9
448.11258	0.5
465.11826	100.0
466.12173	3.2
523.25781	3.1
541.26996	0.6
583.29529	0.7
609.27698	0.5
627.17047	0.7
627.28540	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1554
Annotation	Quercetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.05952	0.1
61.02922	0.2
64.79376	0.1
67.29159	0.1
68.99795	0.2
69.03420	0.5
70.66672	0.5
81.03395	0.3
85.02915	1.1
85.83822	0.1
87.04433	0.2
90.17524	0.1
90.43872	0.1
94.07537	0.1
97.02888	0.3
105.03413	0.2
109.02874	0.2
123.04424	1.4
127.03905	0.2
133.02849	1.2
145.04980	0.3
151.03917	4.2
153.01828	21.3
154.02158	0.3
230.63667	0.2
302.04175	0.1
303.04987	100.0
304.05273	2.2
313.03339	0.5
318.03436	0.2
333.05887	0.7
345.06210	0.2
465.10300	13.3
466.10550	0.5
627.15381	0.6
654.04010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.5
55.01834	0.2
56.96510	0.4
57.03377	1.0
59.04936	0.3
61.02858	1.5
65.38701	0.2
65.52635	0.3
66.52774	0.2
68.99737	0.3
69.03361	5.6
69.03762	0.4
70.03348	0.6
70.03764	0.9
70.06520	1.0
70.86321	0.2
71.04927	0.7
73.02843	1.3
73.15930	0.2
79.05441	0.4
81.03420	2.2
84.08090	0.5
85.02909	6.8
85.03374	0.4
86.09651	0.7
87.04461	1.5
89.03884	0.4
91.03902	0.4
91.05402	0.7
93.06981	0.4
95.04911	0.5
95.08548	0.4
97.02893	3.1
97.06504	0.2
99.04385	0.7
101.02316	0.5
105.06969	0.6
107.04890	0.9
107.08547	0.3
109.02884	1.2
109.10115	0.3
119.08494	0.3
120.08009	0.5
121.10086	0.3
123.04341	0.7
125.12046	0.2
127.03961	1.4
133.02838	0.4
133.10089	0.2
135.04341	1.2
136.05101	0.8
137.05910	0.5
141.60066	0.2
145.04839	0.5
147.04358	0.6
147.11493	0.3
151.03851	0.4
153.01851	3.2
158.94600	0.3
163.03828	0.5
167.07048	0.3
171.02823	0.5
180.15350	0.3
181.04921	0.3
198.69296	0.3
203.03426	2.0
213.05331	0.3
229.04993	2.7
237.62413	0.3
241.04846	0.7
242.03409	0.6
242.05743	7.9
253.04984	0.5
257.04456	31.4
258.05237	4.0
269.04391	1.1
270.05261	2.7
271.06091	2.4
285.03949	2.3
286.04724	9.0
287.05484	11.2
297.03952	2.8
310.04578	0.3
311.05533	0.4
335.09152	0.3
345.07507	1.0
363.08560	0.7
367.17731	0.4
370.48474	0.3
373.07056	0.4
390.07480	0.3
391.07932	1.3
403.07687	0.3
419.07651	2.2
421.09186	22.1
422.09747	0.4
437.08780	0.6
447.07080	10.3
465.08167	100.0
466.08295	0.8
469.37256	0.3
493.07721	0.3
507.09442	0.7
609.28961	0.4
627.13434	13.1
627.28876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
54.74887	0.2
55.01842	0.5
57.03434	1.7
57.52929	0.2
61.02931	2.1
67.01846	0.3
69.03433	7.1
69.37074	0.2
69.79984	1.7
70.06585	1.2
71.01322	0.2
71.04984	0.4
73.02918	1.9
81.03426	2.0
83.01328	0.3
83.50642	0.2
85.02902	7.3
85.40165	0.2
87.04468	1.6
89.03928	0.2
91.03927	0.3
91.05453	0.3
93.07013	0.2
97.02303	0.2
97.02887	3.2
99.04433	0.8
101.02348	0.5
103.03909	0.3
107.04967	0.4
109.02852	1.3
116.07051	1.0
121.02898	0.4
123.04415	1.4
127.03951	1.4
135.04442	1.1
135.88521	0.2
136.05151	1.1
137.02338	0.2
145.04938	0.8
147.04366	0.6
153.01826	4.5
163.03894	0.5
171.02960	0.5
187.03947	0.3
203.03381	4.3
213.05502	0.5
229.04955	5.2
239.07155	0.3
241.04999	1.1
242.05730	11.0
253.04907	0.4
257.04449	57.7
258.05222	5.1
269.04465	2.0
270.05209	3.8
271.06033	3.7
285.03992	3.0
286.04715	10.6
287.05499	15.8
297.04010	3.0
311.05505	0.4
345.07498	1.9
358.69351	0.3
363.08725	0.9
373.07162	0.5
374.07785	0.4
389.06494	0.5
390.07535	0.3
391.08035	1.8
403.07990	0.3
419.07556	2.9
421.09171	20.5
422.09723	0.5
437.08548	0.6
447.07114	13.4
465.08188	100.0
466.08414	2.1
467.85049	0.3
507.09366	1.0
627.13440	36.5
627.30261	1.0
628.13861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
56.96554	0.2
57.03418	0.5
62.70623	0.2
67.05504	1.3
69.03075	0.2
69.03430	2.5
69.07071	0.9
70.06585	0.2
71.04989	0.3
71.60537	0.2
73.02900	0.3
79.05482	0.8
80.40680	0.2
81.03411	0.5
81.07054	2.5
83.08608	0.5
85.02423	0.2
85.02898	2.4
85.06541	0.4
87.04466	0.2
91.05482	0.9
93.07063	0.9
94.04044	0.3
95.04959	0.2
95.08603	2.4
97.02363	0.2
97.02895	1.9
97.06540	0.9
99.04434	0.2
105.07027	0.6
107.04935	0.2
107.08604	0.4
109.02868	0.4
109.06476	0.2
109.10149	0.5
110.21478	0.2
111.08046	0.3
115.03932	0.5
118.97319	0.2
119.03561	1.0
119.08584	0.9
120.92140	0.2
121.10125	0.3
123.08076	0.2
123.24286	0.1
127.03939	0.4
128.26089	0.2
131.08580	0.4
133.10115	0.7
135.11708	0.4
136.06183	100.0
137.04594	1.2
137.06581	0.4
161.13281	1.4
164.59077	0.2
167.07146	0.2
177.00792	0.2
179.14346	1.0
181.08459	0.2
197.15392	0.5
271.12186	0.3
275.16602	0.3
279.74719	0.1
293.17490	0.4
298.11447	1.3
305.63693	0.2
307.68130	0.2
311.18509	3.0
329.19595	1.9
415.16406	0.3
464.25055	7.1
464.31696	0.4
609.28821	0.2
626.30017	2.8
627.30151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01869	6.3
57.03444	3.4
61.02926	4.7
68.99783	2.0
69.03429	22.6
69.51054	17.2
70.06582	7.7
71.04979	4.2
73.02907	5.8
81.03425	19.7
85.02907	50.7
86.09737	2.7
87.00813	18.6
91.05476	9.9
93.07030	3.6
94.04178	3.0
95.04937	2.8
97.02904	19.7
98.21513	4.2
99.04449	7.9
101.86657	1.8
103.05450	4.5
105.01863	14.5
107.04953	6.8
109.02875	12.9
115.03946	4.9
117.01833	2.4
117.07058	2.5
119.04913	6.2
121.06519	4.2
122.03648	3.8
123.04398	2.2
127.03915	21.9
129.06996	6.9
131.04922	12.6
137.05975	72.7
141.05453	1.9
143.08484	2.2
145.04961	7.9
145.06462	2.7
149.05981	6.3
151.03886	3.8
151.07552	44.0
153.01862	6.4
157.06464	3.8
159.02907	8.0
161.05968	11.6
161.09610	3.4
163.07556	38.3
165.07063	2.3
167.08604	3.8
171.11728	2.6
174.06738	3.4
175.07593	13.7
177.09105	61.1
187.07492	2.5
189.09119	14.8
193.06430	2.2
193.10173	2.9
195.08070	7.0
195.10004	2.9
207.10162	3.8
207.25648	2.0
209.08064	4.1
211.07545	2.4
219.10043	3.4
221.05946	6.4
221.09624	5.0
221.11723	11.9
223.07541	3.2
224.08383	2.0
225.09116	5.4
227.07059	2.5
227.10661	15.2
231.04967	4.7
237.05441	8.1
239.07271	2.2
239.10619	2.3
249.09109	4.6
249.11307	6.2
253.08565	6.2
253.12161	5.3
255.10265	10.9
265.04996	12.9
265.08578	3.2
267.06592	3.1
267.10007	2.7
279.10059	2.6
281.11658	4.3
285.11078	10.5
287.01987	2.3
287.12827	18.0
293.04370	3.7
293.11414	2.8
297.11261	3.6
299.12888	8.8
302.07510	6.3
305.11606	2.9
309.11252	2.5
311.05496	24.7
311.12766	13.1
313.14362	19.6
323.12973	2.9
331.15402	100.0
335.12796	4.0
341.13626	2.7
343.15378	28.2
353.13928	3.5
355.15295	11.2
367.15347	6.5
397.16293	5.5
417.15323	2.3
419.07587	4.4
421.09174	3.8
421.16519	11.1
439.17657	5.1
465.08151	48.6
525.17505	4.6
543.18481	6.9
552.16290	2.0
561.19611	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93987	3.7
53.03935	7.7
54.39503	3.7
55.01870	32.2
55.05507	31.2
57.03432	10.9
57.07065	6.4
65.03933	7.9
67.05166	5.6
67.05508	71.5
69.07069	61.1
69.95074	13.0
71.05006	4.4
71.08633	4.5
79.05496	66.2
81.03416	8.0
81.07060	82.8
83.02100	3.5
83.04973	13.0
83.08616	18.9
91.05482	62.4
93.07043	61.8
95.04976	15.4
95.08606	56.7
97.06534	35.6
97.10174	7.9
97.70061	3.9
99.08107	5.2
105.07027	72.4
107.04938	12.8
107.08598	35.5
109.06525	11.5
109.10162	26.7
117.07016	23.5
119.08588	55.7
121.06506	8.2
121.10147	18.9
123.08054	5.9
125.09634	5.8
128.06232	6.8
129.07011	22.4
131.08577	51.6
132.08972	3.9
133.06483	7.8
133.10146	40.5
135.08070	7.3
135.11690	14.1
137.09639	6.5
141.07036	9.3
142.07780	5.4
143.08569	31.0
143.83250	4.2
145.10114	38.9
147.08102	4.0
147.11703	28.7
149.09628	9.1
149.13330	8.3
155.08551	17.0
156.09303	4.6
157.06454	4.3
157.10133	26.7
159.11703	28.8
161.09560	6.2
161.13269	20.0
163.11205	11.1
167.08565	7.6
169.10130	17.3
171.11693	26.7
173.13246	22.1
175.11230	4.9
175.14778	10.4
179.08600	4.5
179.14328	5.9
181.10176	8.2
183.11708	11.9
185.13249	15.5
187.14784	7.8
189.12720	4.5
193.10150	5.9
195.11690	11.0
197.13280	12.9
199.14885	9.1
201.16425	5.3
209.13225	9.3
211.14803	7.3
221.13271	4.0
223.14818	10.1
239.17917	6.4
241.19547	15.9
257.19098	7.5
259.20572	21.9
267.21042	4.4
273.18384	22.6
275.20096	39.0
277.21811	5.0
291.19681	11.2
315.23355	5.5
333.24127	10.4
347.22620	4.7
349.23611	20.2
419.33319	5.0
435.32281	7.2
437.22644	3.8
437.34094	12.1
509.35696	6.4
511.37628	15.3
513.35730	9.3
515.38971	9.2
527.37097	24.7
529.38873	5.2
533.39874	13.9
551.40955	8.1
556.37476	6.6
607.43597	62.3
608.42896	5.0
625.44550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2542
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02372	1.1
51.31083	0.8
53.03943	2.9
55.01857	1.2
56.96559	1.7
67.05491	1.4
69.48147	8.3
71.05008	1.1
79.05482	1.4
81.03400	1.5
81.07053	1.3
89.03938	1.2
91.05476	16.0
93.07038	14.4
95.04966	4.8
103.05468	10.7
105.04508	1.0
107.04930	2.1
115.05450	1.6
119.04945	8.1
119.08498	1.2
121.06506	67.7
123.04491	1.4
131.04982	1.0
133.02850	4.1
133.06482	1.4
134.99744	1.0
135.04391	2.0
136.07564	3.3
137.05975	17.6
138.09129	7.7
143.04948	2.0
145.02798	1.9
145.06474	1.6
147.04387	5.6
149.05946	9.8
150.06750	4.7
151.07480	1.1
158.03586	1.5
161.05994	2.6
164.04767	1.5
164.07039	5.2
173.05984	4.0
175.03918	9.9
175.07542	2.4
177.05475	5.4
177.07024	2.8
186.03099	6.8
187.03871	3.6
194.07271	2.5
201.05476	19.2
203.06949	2.0
204.05681	1.0
205.06500	9.9
206.07187	1.5
207.08009	1.2
219.08018	1.8
220.05299	1.2
221.05962	3.0
221.09764	1.4
222.06721	6.4
233.06010	10.3
234.06726	3.9
235.07565	3.5
236.04648	1.3
237.05316	2.1
237.09026	9.0
239.07291	1.6
240.71576	1.2
247.07617	4.0
249.05435	6.0
250.06242	10.4
251.06938	3.5
259.12103	1.3
261.05432	2.0
262.06027	1.0
263.04498	1.1
263.06958	4.8
264.07864	5.3
265.05026	8.1
265.08594	19.0
267.06491	1.5
271.12091	2.4
272.12747	1.0
275.07117	1.2
277.04947	3.9
278.05685	6.7
279.06720	1.9
279.10178	2.3
280.07300	2.0
281.07962	1.7
282.08795	3.5
291.06534	2.8
292.03964	1.3
292.07266	20.0
293.04443	9.1
293.08069	18.0
295.06180	2.3
295.09552	2.0
297.11215	3.8
298.14145	1.0
299.12668	1.9
307.09616	35.1
308.06772	53.6
309.07217	1.5
310.08401	5.6
312.12314	1.1
319.05957	2.9
323.09122	13.1
325.10703	100.0
326.10986	1.2
336.06354	4.8
351.08627	80.4
352.08865	1.7
462.19092	36.8
488.17041	27.1
625.16321	2.0
625.25354	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	625.1765
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
52.41152	0.1
53.71807	0.1
55.01832	0.1
57.03425	0.1
61.02890	0.3
67.01859	0.1
69.03423	0.6
70.06576	0.1
71.13670	0.1
72.08131	0.1
73.02858	0.1
77.39773	0.1
81.03434	0.3
83.73857	0.1
84.04462	0.1
85.02425	0.1
85.02902	1.9
86.09695	0.1
87.04445	0.1
87.91028	0.1
91.03951	0.1
97.02891	0.7
99.04445	0.1
109.02875	0.2
109.91886	0.1
114.09125	0.1
127.03922	0.4
131.33588	0.1
145.04956	0.4
147.59697	0.1
149.05943	0.1
151.03850	0.1
153.01831	0.5
161.09000	0.1
171.02866	0.2
175.03865	0.1
175.39830	0.1
183.86331	0.1
185.56972	0.1
198.15724	0.1
229.04976	0.3
257.04590	0.2
258.05240	8.6
259.05640	0.2
286.04718	30.0
287.05051	0.7
301.07059	100.0
302.07391	2.3
304.96381	0.1
313.07056	0.1
343.08023	0.1
422.98630	0.1
463.12344	12.2
464.12555	0.4
625.18237	0.1
625.47296	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	623.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	24.4
61.16896	0.6
67.05477	1.7
69.55547	5.4
70.10625	0.5
71.23742	0.7
71.95230	2.7
74.97578	1.3
77.05110	0.6
79.05075	1.0
79.05485	14.4
81.07003	2.0
83.08610	0.8
84.95995	1.6
91.05450	2.3
93.07036	1.3
95.04929	0.9
95.08546	1.2
97.06552	0.9
98.20751	1.4
105.06995	1.8
107.08542	2.0
109.06489	0.7
116.98586	1.6
121.01706	1.5
128.98534	3.0
133.01714	1.2
133.10089	1.2
133.98833	0.8
134.99611	1.3
135.24812	0.6
141.02167	1.2
145.10017	0.8
146.99605	5.1
147.03236	1.3
149.01244	0.9
149.02264	3.4
150.02640	1.2
151.02672	1.0
155.03777	1.1
157.01755	1.0
161.01227	1.5
165.00705	2.3
169.05286	0.9
171.03261	2.2
173.04854	4.7
175.02806	1.3
177.93167	0.7
184.04039	1.0
185.04802	1.8
187.02702	1.3
189.04326	3.8
191.05887	2.3
193.05014	1.3
194.05124	0.7
195.07048	0.9
197.04753	1.0
197.08408	0.8
199.02728	0.7
199.06401	3.9
201.07947	1.1
202.05075	0.7
203.05907	4.4
207.03200	0.8
207.05249	0.9
209.06906	1.1
211.06461	1.3
215.09529	1.1
217.07495	5.3
219.07120	0.7
219.09111	2.0
223.02882	0.7
225.04352	5.1
225.07979	1.4
227.05812	1.9
227.20036	1.3
229.07468	2.7
239.05849	0.8
243.05389	1.4
243.09056	12.7
245.06973	1.1
247.08492	2.0
255.09056	2.4
261.10110	10.1
266.10620	1.1
268.09808	1.9
271.08713	0.9
273.10101	2.5
281.10590	3.2
286.10931	2.3
299.11655	2.5
307.15741	1.0
313.14813	1.4
329.14142	1.3
331.15759	66.1
347.15289	1.7
349.16837	100.0
367.17896	12.6
372.18442	21.0
390.19797	1.8
395.41214	0.7
538.30890	0.7
623.15796	1.7
623.36078	75.6
624.36334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65905	5.1
69.66542	27.2
75.71283	4.9
79.05466	5.3
98.20728	7.6
106.24476	5.6
158.96111	5.3
195.84230	5.1
277.00797	5.3
326.63345	5.1
337.57620	5.4
391.18619	6.3
433.20047	7.0
447.17944	8.0
461.19717	7.5
476.21881	24.2
485.23560	9.1
503.24289	10.0
521.25488	10.4
531.23804	16.4
545.25793	6.1
549.24963	11.5
559.23553	7.6
577.27734	5.4
591.26050	34.5
623.28595	100.0
623.38965	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80199	0.5
60.62183	0.5
69.42260	2.4
69.42685	2.9
76.66335	0.5
91.26158	0.5
138.98512	0.6
150.88791	0.5
209.10733	0.6
220.46425	0.5
223.12248	0.7
233.05682	0.6
237.13872	0.7
258.99255	0.6
374.34879	0.6
377.17575	1.6
378.18256	1.4
380.26495	0.6
386.15396	0.6
387.16461	0.7
388.17798	0.6
389.18729	1.2
390.18933	1.0
391.19501	3.3
392.19830	2.9
393.20670	1.7
399.16150	1.7
400.16730	1.5
401.17554	2.1
402.19037	0.9
403.20099	0.8
404.20447	1.3
405.20996	4.8
406.21521	2.2
407.22256	12.3
413.17679	2.1
414.18536	3.3
415.19113	4.1
416.20242	1.2
417.20981	1.7
419.17804	1.0
419.22464	1.7
420.23041	2.2
421.23840	10.2
422.24533	3.0
427.19208	2.1
428.20090	3.4
429.20901	11.8
430.21829	2.9
431.22745	1.2
432.19162	1.0
433.19659	1.2
433.24176	2.0
442.21689	1.6
443.22589	7.9
444.23627	4.4
445.20236	2.4
447.18118	1.9
449.23257	0.9
455.18646	1.2
456.19550	1.5
457.19269	1.2
457.23975	3.0
458.24835	7.4
459.21725	8.1
460.22760	3.1
461.18985	4.8
462.20538	2.5
463.21222	1.5
470.21115	1.6
471.22412	0.8
472.22745	7.0
473.18546	1.0
473.23651	1.9
474.20572	1.6
475.21155	6.4
476.21701	5.7
477.22604	2.5
484.19009	1.0
485.23630	15.2
486.20016	1.6
486.24033	2.6
487.20807	1.1
488.21881	2.0
489.22876	3.1
493.26251	1.1
497.22781	0.8
499.21243	4.7
500.22009	3.0
501.22852	1.4
502.23862	1.0
503.24451	8.3
504.24457	2.1
513.22754	3.4
514.23798	1.5
515.24414	1.2
517.26379	8.7
529.26276	1.6
531.23969	0.9
535.27283	5.0
545.25494	83.4
546.25897	3.7
558.23993	0.7
563.26312	1.4
564.27246	2.8
573.24976	20.1
574.25427	0.9
591.25995	1.1
605.27594	100.0
606.28369	2.9
623.28656	90.4
624.28778	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38745	0.3
62.83476	0.4
67.05499	0.5
69.03448	0.5
69.61334	2.6
70.06570	0.9
85.02896	0.8
86.09714	0.4
90.78072	0.4
97.02863	0.4
107.04960	0.6
109.02844	0.5
120.08119	0.4
153.01836	0.4
166.10622	0.4
182.06525	0.3
185.04253	1.2
189.05292	1.4
203.06871	0.3
205.04730	9.9
218.05551	2.2
219.06270	4.9
232.06955	0.7
233.07892	1.7
234.08629	21.3
235.09496	0.8
237.07677	0.4
247.09419	1.3
249.07382	2.6
252.09595	0.5
381.11557	9.0
381.16412	0.5
393.11469	0.7
395.13135	10.6
411.12357	0.7
461.17810	9.4
461.24005	0.7
489.28543	0.4
593.22485	1.0
623.23102	100.0
624.23492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38745	0.3
62.83476	0.4
67.05499	0.5
69.03448	0.5
69.61334	2.6
70.06570	0.9
85.02896	0.8
86.09714	0.4
90.78072	0.4
97.02863	0.4
107.04960	0.6
109.02844	0.5
120.08119	0.4
153.01836	0.4
166.10622	0.4
182.06525	0.3
185.04253	1.2
189.05292	1.4
203.06871	0.3
205.04730	9.9
218.05551	2.2
219.06270	4.9
232.06955	0.7
233.07892	1.7
234.08629	21.3
235.09496	0.8
237.07677	0.4
247.09419	1.3
249.07382	2.6
252.09595	0.5
381.11557	9.0
381.16412	0.5
393.11469	0.7
395.13135	10.6
411.12357	0.7
461.17810	9.4
461.24005	0.7
489.28543	0.4
593.22485	1.0
623.23102	100.0
624.23492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.6
59.05001	100.0
65.41557	0.5
67.05496	0.7
69.03426	0.9
69.47491	0.4
70.06599	1.3
71.60228	0.7
71.65099	0.5
73.02907	1.3
73.06561	5.8
78.48550	0.5
79.05488	1.0
79.77518	0.5
84.08189	0.6
85.02886	0.9
86.09719	1.4
87.04465	11.0
89.06033	78.4
90.06405	0.6
103.07582	75.0
106.80264	0.5
107.07060	3.7
107.64050	0.6
117.09161	4.6
121.06615	0.7
121.10161	0.5
130.08627	1.0
130.37799	0.5
131.07040	3.5
133.08606	49.2
137.22914	0.6
139.47647	0.5
147.10167	30.7
152.10820	0.6
161.11739	1.3
175.09634	1.5
177.11235	15.9
191.12747	1.9
221.13832	2.4
225.07993	1.3
235.08212	0.9
235.15497	0.8
239.14883	0.8
243.08914	0.8
265.16394	0.7
283.17319	1.1
309.18835	0.6
327.20050	1.0
605.37250	2.8
622.39648	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	622.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05503	5.3
56.84930	0.9
56.96552	1.0
57.07077	2.0
65.03932	1.3
67.05499	9.4
69.03432	7.1
69.07047	4.7
70.06577	1.6
71.04982	6.5
71.30295	1.5
72.08134	1.1
79.05491	4.8
81.03419	1.6
81.07052	11.5
83.04951	0.8
83.08632	4.8
85.02900	2.9
85.06548	2.5
86.09713	0.8
91.05487	3.2
93.07027	9.6
95.04965	8.2
95.08603	11.0
97.02894	2.2
97.06535	7.2
97.10165	1.0
98.55260	0.9
98.96056	0.8
99.08105	1.0
105.07043	10.9
107.04922	1.2
107.08591	26.7
109.02808	1.1
109.06514	7.9
109.10149	10.8
111.04460	1.4
111.08088	2.2
113.09667	5.7
117.06979	1.4
119.08572	8.5
121.06529	1.6
121.10162	8.0
123.08047	1.6
123.11700	7.5
125.05926	0.8
125.09620	6.6
127.03896	2.2
131.08569	1.8
133.10141	5.4
135.08044	1.1
135.11705	10.2
137.13301	1.3
139.07544	1.4
139.11165	1.1
143.08582	1.5
145.10120	12.1
147.08025	1.0
147.11757	1.6
149.13280	1.4
151.11180	3.0
157.10123	2.9
159.11678	3.1
161.09618	2.8
161.13278	5.1
163.11186	3.2
165.09070	1.0
175.14816	5.8
179.14316	1.5
185.13249	5.6
193.15891	3.9
203.14301	8.4
211.16910	10.2
221.15373	18.4
239.16411	100.0
257.17523	4.4
272.06619	1.0
321.24194	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	622.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01945	0.3
59.05008	1.8
61.86178	0.4
64.12412	0.3
67.05499	0.4
69.07084	0.4
69.68165	1.9
71.04996	4.7
79.05511	0.4
79.10577	0.3
83.04980	0.6
85.02904	2.2
88.32481	0.4
91.05473	0.6
91.26976	0.3
93.07061	0.9
95.04978	0.8
96.30624	0.3
97.02894	0.4
98.21499	0.7
101.06017	3.6
103.05474	6.2
105.59193	0.3
107.04976	1.0
107.81303	0.3
111.04459	1.0
113.06007	9.7
119.31802	0.3
120.08105	100.0
121.08439	1.4
129.05478	0.8
131.04926	2.5
131.07040	6.5
147.06544	0.6
149.05998	1.4
149.08099	13.9
166.08641	52.7
167.09027	1.2
208.86261	0.3
241.10583	0.5
259.11880	0.3
309.11475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.6
55.01863	20.8
55.05503	48.1
56.96556	19.5
67.05509	56.8
69.03416	13.9
69.07069	42.4
70.06586	20.7
71.04997	8.7
71.60400	10.0
79.05489	50.5
81.03419	29.7
81.07065	100.0
83.04980	15.0
83.08612	29.1
85.02920	9.1
86.09707	17.1
91.05474	43.6
93.07040	53.2
95.04958	24.5
95.08600	58.0
97.02911	16.7
97.06533	25.2
97.10153	11.0
105.07021	49.4
107.04964	21.6
107.08632	36.1
109.02878	7.9
109.06484	14.8
109.10157	25.2
111.08097	14.7
117.06997	18.7
119.08572	45.5
121.10169	28.2
123.08057	11.0
123.11678	7.7
125.09637	16.1
129.07002	10.9
131.08551	25.0
133.10133	32.6
135.11702	17.4
137.09583	9.0
141.06938	8.0
142.07695	8.5
143.08514	16.2
145.10138	29.8
147.11716	28.5
155.08508	12.2
157.10138	14.8
159.11771	8.3
161.13303	8.5
171.11659	13.4
173.13287	11.6
175.11171	8.8
185.13199	7.9
193.12177	10.9
225.59631	7.2
257.19012	10.7
269.10641	9.5
275.20032	51.1
291.19540	9.4
293.21146	20.8
297.22171	7.7
297.25598	7.1
367.18045	22.2
385.18866	9.2
491.33569	9.2
621.31836	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	621.1814
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
51.33481	1.0
55.05524	5.9
56.96543	1.3
57.03446	2.1
61.02929	3.2
67.05523	1.0
68.08958	1.0
69.03443	2.6
69.70595	1.6
69.71000	5.9
70.06603	2.6
71.04999	41.3
75.04473	4.3
83.04987	22.0
85.02903	11.7
86.09708	2.2
87.04465	4.9
97.02878	1.3
97.47211	1.1
101.06014	1.2
111.04455	44.1
113.06012	19.6
115.03928	2.4
116.07018	0.9
117.05505	12.1
121.02895	2.0
121.46543	1.0
127.03929	1.4
129.05487	69.6
147.22281	1.0
153.01863	2.1
159.08112	1.3
165.01862	1.3
171.06529	21.4
189.07576	31.8
213.05513	1.6
258.05417	1.7
260.11481	1.1
287.05515	100.0
299.05551	1.3
433.11267	6.9
447.07211	1.7
565.23975	1.2
621.27783	1.5
648.58728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.31999	0.5
78.86552	0.4
93.07014	0.5
100.71033	0.4
134.71397	0.4
229.90178	0.4
233.53316	0.4
237.10225	0.5
338.16510	0.5
373.14691	0.5
375.16348	1.2
387.16284	1.2
388.16867	1.2
389.17651	3.4
390.18466	1.4
391.19186	0.6
401.17654	1.5
402.18692	1.3
403.19391	4.6
404.20032	3.3
405.20908	3.2
413.17902	0.5
415.19299	1.2
416.16098	1.3
416.20764	0.7
417.17154	4.7
417.21207	2.5
418.17194	1.0
418.21780	1.3
419.22397	8.1
420.23334	0.9
430.17902	1.5
431.18063	7.9
431.23648	0.8
432.19043	3.2
433.19940	2.9
441.16946	0.5
443.18582	0.8
444.19962	0.7
445.20035	7.4
446.21088	7.0
447.21750	10.9
448.21994	0.7
458.20908	0.5
459.21857	2.6
460.23309	0.7
461.19818	1.6
463.21350	0.6
473.18515	0.7
473.23657	1.5
474.20413	7.0
475.21204	9.7
478.23734	0.6
487.21481	4.3
488.21970	1.1
491.20923	1.3
501.22876	2.3
503.20886	0.5
505.26328	0.9
506.23187	0.6
518.23102	0.7
519.20380	0.9
529.22589	0.6
533.25500	18.0
534.25446	0.7
546.23236	0.6
561.24969	22.9
562.25159	0.7
589.24658	1.2
593.27649	3.9
621.27069	100.0
622.27399	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	621.1813
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
53.00323	0.1
53.03936	0.2
55.05512	2.0
56.60116	0.1
57.03435	0.6
58.71011	0.1
59.05005	0.2
61.02931	1.0
62.27476	0.1
65.03943	0.1
68.99819	0.3
69.03429	35.8
71.01354	1.3
71.04994	3.9
72.41852	0.1
73.02933	0.1
79.05514	0.1
81.03426	0.1
83.04980	9.4
85.02905	4.2
86.09705	0.2
87.04471	0.7
91.05499	0.1
97.02918	0.1
97.14674	0.1
99.04447	0.3
101.06040	0.2
105.03385	0.2
105.07014	0.1
107.04955	0.2
109.02856	0.1
109.61929	0.1
111.00814	0.4
111.04443	9.2
121.02869	1.7
129.05479	19.9
133.02872	0.3
137.02295	0.6
137.06070	0.1
141.06851	0.1
145.06526	0.2
145.10117	0.2
147.04446	0.4
153.01828	2.2
153.02986	0.2
157.06459	0.3
162.90706	0.1
165.01842	1.3
171.04436	0.1
183.02977	0.6
185.05978	0.3
189.07584	6.4
213.05617	0.9
231.06525	0.4
241.04980	0.7
243.06485	0.1
258.05237	0.8
259.06036	0.3
269.04401	0.2
277.11066	0.1
287.05490	100.0
288.05930	0.7
295.12097	0.2
299.05515	0.4
329.06479	0.5
351.08621	0.1
374.60648	0.1
379.07986	0.2
397.09061	0.7
433.11298	6.8
459.17093	0.2
465.14026	0.2
475.12274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33493	1.4
55.05519	3.2
56.05869	1.3
57.03432	1.4
57.07069	1.6
67.05505	3.2
69.07040	2.1
71.42101	2.2
77.21495	1.1
78.93999	1.2
79.05515	1.6
81.07063	4.6
83.08649	2.0
87.04431	2.2
88.20627	1.3
91.05503	2.3
95.08614	3.7
105.07075	1.5
119.45011	1.4
121.10152	1.4
161.73523	1.3
217.12300	2.4
283.15143	13.2
324.66769	1.4
339.17834	5.4
391.12448	1.3
408.58612	1.4
619.41809	100.0
620.42401	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	619.2456
Annotation	Oxofangchirine
Peak:m/z	Relative Intensity
55.05501	1.2
56.96564	22.6
67.05502	1.3
69.03413	0.8
69.07059	1.1
71.22903	1.4
71.95301	0.7
79.05495	1.2
81.03434	0.8
81.07035	2.3
83.04968	0.7
84.96030	14.6
91.05475	1.6
93.07044	2.0
95.04996	0.8
95.08606	1.9
98.97578	8.0
102.97045	3.0
105.07040	1.6
106.07352	0.7
106.67630	0.6
107.08587	1.4
109.06531	0.7
109.10147	0.7
109.61044	0.5
112.99171	1.1
116.92873	0.6
116.98618	7.7
119.08601	2.3
120.98099	1.2
121.10150	1.9
124.99128	1.2
128.98570	3.1
130.26830	0.6
131.00192	1.9
133.10146	1.3
134.99661	6.4
140.98640	1.3
143.00150	6.1
144.98059	3.0
145.10188	0.9
146.99651	5.2
149.01248	2.6
151.07521	1.0
155.00174	1.6
157.01746	1.7
157.10159	0.9
158.01218	0.6
158.99716	3.3
159.00836	0.7
161.01219	18.7
162.99156	7.3
163.11108	1.1
165.00737	1.8
167.02321	1.8
173.01254	3.4
173.13168	0.6
175.02797	1.9
177.00745	1.8
179.02280	4.3
180.94846	0.9
181.00232	1.8
182.99692	2.8
184.02849	1.3
190.95282	1.0
191.02336	1.5
198.95886	4.9
201.00697	9.8
203.02226	0.8
216.97012	1.8
219.01762	3.8
221.15443	1.9
224.02293	1.1
224.97493	1.0
228.96959	0.9
240.96930	3.1
242.98399	2.9
246.95952	1.9
246.98114	0.8
254.98499	1.3
258.97974	1.3
264.10291	0.6
264.96930	7.6
282.97955	14.9
283.00931	1.2
287.98566	0.9
296.99850	0.7
300.98987	9.6
301.02155	0.7
305.99524	1.5
311.25851	1.0
319.19357	8.9
336.70715	0.7
337.20486	20.9
355.21484	2.2
357.01901	0.8
360.21918	3.6
375.02927	1.0
393.23236	1.9
416.42804	0.7
559.22778	1.1
601.23663	1.7
618.42377	1.2
619.24554	100.0
620.25098	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
54.00233	2.6
55.05504	4.9
56.96564	4.5
59.05797	1.8
64.75038	1.9
67.05511	10.7
69.03407	6.6
69.07066	3.0
69.44875	1.8
69.94320	3.0
69.94732	7.9
70.06596	11.4
71.95213	1.9
72.08144	6.7
79.05493	20.2
81.03416	7.1
81.07056	43.7
83.04967	3.9
84.04480	3.2
84.08135	4.0
85.02897	3.7
86.09701	13.2
87.04476	2.5
87.99541	2.0
91.05483	31.7
93.07042	17.5
95.04974	6.9
95.08611	6.3
95.74025	2.1
97.02911	3.2
97.06504	3.6
100.07638	2.7
103.05441	4.9
105.07029	45.8
107.04939	5.5
107.08588	9.4
109.02843	2.3
109.06533	2.6
111.04451	2.4
115.05451	5.9
116.98567	3.5
117.07025	22.8
118.36268	2.0
119.04924	3.6
119.08578	22.9
120.04104	2.1
120.08133	3.8
121.06493	4.8
121.10139	5.8
128.06207	11.0
129.06999	22.4
129.10239	3.8
130.07802	8.1
131.04930	3.8
131.07700	3.2
131.08571	30.9
133.06500	4.1
133.10114	12.9
134.15701	1.9
134.99611	2.6
135.08063	2.4
137.05978	5.2
137.09651	3.0
141.06972	7.6
142.07759	10.5
143.08556	38.9
144.09286	2.7
145.06467	6.1
145.10121	100.0
146.99683	3.6
147.04413	2.4
147.08073	11.1
147.09113	1.9
147.11656	11.2
149.05984	5.6
149.09616	4.6
151.07555	4.0
153.07019	5.2
154.07791	6.0
155.08540	16.9
156.09363	9.2
157.06493	7.3
157.10081	20.5
158.07306	4.9
159.08070	8.2
159.11699	6.6
161.05978	5.1
161.09631	7.5
163.07469	2.9
165.07005	6.3
166.07787	4.2
167.08545	10.9
168.09322	3.3
169.10127	26.8
171.08028	10.7
171.11700	28.2
172.08788	10.9
172.54546	2.1
173.05875	2.3
173.09630	19.9
173.13196	4.6
175.07460	3.5
178.07784	2.6
179.08533	6.2
180.09299	4.1
181.05003	2.4
181.10097	10.5
182.07260	3.2
182.10939	2.3
183.08080	5.7
183.11676	9.0
184.08853	3.4
185.09628	17.8
185.13158	2.9
187.07486	4.4
187.11166	6.2
189.09093	6.6
191.08577	3.2
191.10692	7.3
192.09296	2.9
193.08543	2.0
193.10135	6.3
195.08075	6.5
195.11703	11.3
196.08841	2.4
197.09628	22.2
197.13298	4.0
198.06735	2.6
199.11212	15.5
201.09125	6.8
201.12650	2.2
204.09251	2.6
205.10138	3.8
206.10779	2.8
207.11638	7.2
209.09608	7.7
209.13318	2.9
210.10344	2.3
211.11197	4.7
213.09102	15.6
213.12598	3.0
215.10616	14.7
217.12209	18.3
219.01520	2.7
219.11682	6.3
221.09691	3.5
221.13217	5.3
223.07474	3.8
223.11185	7.2
223.14848	2.3
225.09212	4.9
225.12683	4.4
227.10733	4.2
230.10991	2.1
231.11768	3.5
233.09631	2.7
235.11176	2.8
235.14796	4.0
237.02760	5.0
239.04166	2.5
239.10663	4.2
241.08569	22.8
241.12206	2.6
243.09999	4.6
246.10359	3.3
247.11327	3.9
249.12886	3.4
258.13910	2.8
259.09644	4.7
259.14822	2.7
259.80890	2.1
261.12836	2.7
263.14365	4.3
267.10193	5.9
272.15540	2.3
273.12885	3.2
273.16241	2.9
277.10645	28.0
277.15814	3.0
289.15808	2.8
301.19504	2.6
303.12369	2.8
311.09149	5.9
311.17868	2.2
315.17459	3.0
331.11725	2.7
333.18408	2.3
343.20490	4.1
344.21481	2.3
357.06390	28.3
358.32364	2.5
369.16681	2.7
371.14987	4.2
383.07803	3.9
383.20062	2.4
385.21649	3.8
397.09744	3.6
401.21405	3.1
411.19449	4.9
413.16147	5.4
413.21231	5.4
429.20908	3.4
431.22211	5.6
433.20322	3.3
435.21835	2.5
439.18982	5.6
441.20578	3.3
445.60446	2.4
447.21622	12.4
449.23242	45.1
451.24710	4.5
457.20258	12.0
459.21390	6.7
475.21008	12.0
477.22537	12.2
485.19720	2.4
493.22159	21.2
495.23755	80.4
503.20572	7.8
520.02472	2.3
521.21899	5.1
527.17145	5.9
529.18823	9.5
539.22845	13.0
573.17786	13.8
575.19110	7.0
619.17993	5.9
619.28381	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	618.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05025	1.1
56.96564	4.2
57.03414	0.4
57.19499	0.4
58.06594	0.7
60.07872	0.5
60.08158	5.8
67.05502	1.1
69.07082	0.6
69.27807	0.4
70.05513	0.3
70.78930	1.2
71.07370	4.8
72.08154	1.0
81.07034	1.2
83.08604	0.5
86.09704	21.6
93.07024	0.5
95.08602	1.0
102.92607	1.0
104.10740	100.0
124.99992	1.1
128.67854	0.4
136.93172	0.5
146.99608	0.8
154.94151	1.9
172.95236	7.2
172.96724	0.4
180.95714	1.7
181.02878	0.3
184.07300	0.6
189.04417	0.5
190.96283	6.0
195.96841	0.5
198.96788	16.5
209.43504	0.4
210.96800	1.0
213.97969	0.5
216.97852	21.5
221.98477	1.4
228.97868	3.5
234.98941	0.6
236.98312	0.4
239.99471	1.4
240.09975	2.3
246.99007	0.6
254.99454	1.4
273.00644	0.6
282.04141	0.9
296.05981	0.6
300.05219	1.1
314.06744	0.7
319.19379	9.0
337.20474	21.9
338.20807	0.5
355.21631	1.5
360.22098	3.1
417.17627	0.5
439.18869	1.9
443.18484	1.7
455.18796	1.2
461.20682	0.5
473.19830	5.9
496.21194	0.6
499.21344	4.5
502.26093	10.8
502.33450	0.6
503.26633	0.6
506.73596	1.1
507.23792	0.5
558.28650	16.7
618.30695	13.4
619.30157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
56.96556	2.6
58.06606	0.8
59.01023	0.3
60.08162	6.1
61.69167	0.3
67.05478	0.5
69.59126	0.8
69.59551	1.3
71.07377	3.4
71.95253	0.3
72.08138	0.8
72.96080	0.3
76.69443	0.3
78.93503	0.3
81.07051	0.4
85.42382	0.3
86.09704	12.9
95.08591	0.4
102.45218	0.3
102.92626	0.6
104.10741	100.0
105.07079	0.3
114.60140	0.3
124.92968	0.3
126.17983	0.3
146.07936	0.3
146.99663	0.5
151.09541	0.3
154.94165	1.2
172.95250	4.9
180.95836	1.0
184.07349	0.3
190.96274	3.4
198.96790	12.1
203.39035	0.3
210.96808	0.8
213.97826	0.3
216.97859	15.5
219.07156	0.3
221.98430	1.0
228.97847	2.2
234.98874	0.4
239.99467	1.2
240.10033	0.6
246.98860	0.3
254.99426	1.3
257.01031	0.3
258.65457	0.3
273.00571	0.5
296.38077	0.3
300.05429	0.4
314.06888	0.7
319.19449	6.3
337.20486	16.3
355.21677	1.3
360.22217	2.4
439.19202	1.1
443.18759	1.2
455.18835	0.5
473.19705	4.0
499.21210	3.4
502.26062	8.8
558.28680	14.6
618.30670	7.2
619.24609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29723	0.6
53.13200	0.6
55.01858	2.3
59.33179	0.7
61.02914	1.6
65.03938	0.7
67.05486	0.7
68.05017	2.9
69.03410	1.9
69.74857	3.8
69.89697	0.6
70.06594	29.6
70.31937	0.6
71.06937	3.8
72.08140	2.0
75.04468	1.2
76.11052	0.6
78.04718	0.8
79.05494	5.7
81.03399	1.0
81.07063	1.1
84.04483	2.2
84.08127	2.8
85.02922	3.2
86.06071	10.2
86.09705	7.2
87.06400	0.9
87.10025	1.2
89.03925	0.8
91.05486	7.8
93.03403	3.4
93.07037	2.0
94.89163	0.6
95.04951	2.4
95.08591	0.9
97.02888	2.0
97.06509	1.1
98.06050	2.2
98.97631	0.7
99.06348	0.6
103.05445	4.9
105.03390	0.6
105.07033	18.4
106.04163	5.8
107.04929	5.8
109.02877	0.9
109.06519	1.8
109.44384	0.7
110.07198	0.8
111.04444	0.7
112.69183	0.6
115.05437	1.5
117.07014	0.6
118.04169	5.1
119.04924	2.4
120.05736	0.9
120.08106	2.0
121.06518	8.8
122.07272	1.4
123.04424	1.8
123.08050	2.0
124.05172	0.9
125.05981	2.3
126.05500	1.3
127.03956	0.8
128.07048	0.7
129.10220	1.5
131.04912	1.7
132.05771	0.9
133.06500	18.6
134.03593	1.4
135.04408	2.5
135.08046	4.2
136.06184	3.1
137.05980	6.9
145.02849	0.7
145.04866	0.7
147.04439	1.1
148.05186	1.5
149.05989	15.4
150.06764	9.7
151.07547	4.4
153.09119	3.5
155.81578	0.6
161.06000	4.8
163.03949	3.2
163.07582	3.4
165.09111	12.1
167.07036	14.5
177.00668	1.0
177.05482	7.8
178.06233	1.2
178.49690	0.6
179.07016	2.4
181.08601	8.7
183.14938	3.1
184.15279	1.4
191.06956	1.8
193.08609	61.4
195.06525	1.4
195.08559	0.6
195.10178	2.8
197.11700	0.7
206.63248	0.7
209.08093	57.8
211.09653	100.0
211.14153	5.2
212.14738	2.2
245.14963	7.1
246.15425	4.5
275.00253	0.7
326.20825	1.4
342.20273	2.1
343.20538	1.7
366.58249	0.7
391.17416	1.2
403.17575	1.0
407.20422	2.9
408.20648	3.2
455.28760	1.5
456.28983	4.1
480.27634	0.7
504.25470	1.0
505.25461	2.6
618.17908	1.0
618.33813	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01877	2.2
55.05510	9.2
56.96567	4.0
57.03429	1.3
57.07071	10.3
59.05001	3.2
60.95857	1.7
61.02922	1.8
65.03935	2.2
67.05507	17.1
69.03434	8.4
69.07069	9.4
69.48603	11.0
71.04996	1.8
73.02911	2.3
79.05492	17.9
81.03403	2.5
81.07056	28.2
83.04977	8.0
83.08615	4.0
85.02910	2.3
85.06560	3.7
91.03976	1.5
91.05482	23.1
93.07042	31.6
95.04963	13.5
95.08612	24.9
97.02878	2.2
97.06530	7.6
98.97601	3.5
102.96894	1.3
103.05474	2.4
105.07028	44.3
106.62345	1.6
107.04972	1.8
107.08593	25.9
107.09288	2.2
109.06520	15.6
109.10161	11.9
111.08077	2.8
115.05436	3.5
116.98639	3.4
117.07030	8.9
119.08575	33.4
119.60308	1.1
120.09312	1.5
120.97943	2.1
121.06486	5.8
121.10133	20.0
121.10907	1.7
123.04449	1.7
123.08072	20.3
123.11709	2.8
125.05997	11.3
125.09657	4.0
128.06253	4.2
129.06995	9.0
130.07796	2.3
131.00194	1.9
131.05002	1.2
131.08554	20.1
133.06482	2.3
133.10118	23.7
134.99684	1.7
135.08064	11.8
135.11647	5.8
137.09627	13.0
139.11237	1.5
141.07016	3.8
142.07780	11.0
143.08551	18.8
144.09325	4.2
145.06537	2.0
145.10124	28.5
146.07211	1.4
147.03049	1.3
147.08046	18.8
147.11679	9.1
149.01227	8.9
149.09605	7.4
150.01622	1.4
151.07549	24.8
151.11119	1.4
153.00568	2.1
153.09116	2.5
154.07887	2.7
155.08615	6.2
155.10672	2.3
156.03630	4.6
156.09322	7.5
157.10136	24.6
158.10918	3.1
158.99692	2.2
159.08087	5.1
159.11688	17.6
160.08853	2.3
161.01300	1.3
161.09659	7.9
161.13252	6.1
163.11176	14.8
165.07045	2.1
165.09116	36.3
165.12807	1.6
167.02267	5.7
167.08597	3.8
167.10722	4.4
168.09410	2.8
169.10120	9.8
170.10927	2.7
171.11678	17.7
173.09599	4.5
173.13274	7.1
175.11197	3.2
175.14880	3.5
177.00711	4.5
179.08665	3.3
179.10686	1.5
179.14359	1.5
181.10175	5.4
181.12219	15.1
182.10860	4.0
183.11684	10.0
184.12540	2.0
185.09676	2.1
185.13222	7.4
187.11220	3.7
187.14844	2.2
189.12794	7.8
191.02371	1.4
191.14320	3.8
193.10153	3.8
193.12231	2.1
194.10982	3.6
195.11716	6.2
196.12512	2.2
197.09763	1.6
197.13319	8.0
199.11212	3.3
199.14832	6.8
200.12050	1.8
201.12784	3.3
201.16373	1.7
203.14348	13.3
205.10162	1.5
206.11050	1.6
207.11763	3.5
207.13860	10.8
208.12442	1.6
209.13298	5.8
209.15451	3.5
210.13936	1.7
211.11212	2.6
211.14874	5.0
213.12837	2.7
213.16391	2.7
215.14311	2.1
217.16008	2.1
221.13348	3.6
221.15356	100.0
223.14954	3.2
225.12851	2.5
225.16443	3.2
227.14417	2.6
229.15923	1.9
233.13327	1.7
233.15463	3.6
234.14192	1.4
235.14832	2.4
237.12837	1.8
237.16574	1.9
239.18040	1.6
247.14859	2.8
247.17110	2.4
249.16330	1.7
251.17886	1.4
253.15918	2.1
257.18982	1.5
261.16324	2.1
267.17618	2.3
271.17017	4.1
272.17850	1.4
278.14667	3.6
278.64813	3.8
286.19269	15.6
287.20239	1.9
293.05521	2.1
299.20294	3.8
300.20825	2.1
311.06696	2.3
312.20990	4.2
313.21719	2.1
321.17343	2.9
337.20544	1.6
359.17197	19.5
359.67355	34.1
359.71671	2.2
360.17490	9.1
360.67896	1.4
391.26364	2.1
409.27469	2.1
437.30902	1.5
507.34308	1.5
525.35516	2.5
535.80707	4.7
536.30743	2.2
537.35950	5.2
581.39893	2.3
599.40814	10.0
617.42029	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35033	0.9
53.03940	3.2
55.01883	1.0
55.05506	15.3
57.03428	3.2
57.07069	5.5
58.82464	0.9
65.03946	2.6
67.05165	1.6
67.05502	27.3
69.03410	2.5
69.07066	24.6
71.01342	5.2
71.08628	1.3
71.34856	2.2
73.02919	7.2
79.05489	18.1
81.07054	61.6
82.08936	1.0
83.01333	1.6
83.04976	2.2
83.08618	13.5
85.02901	25.0
91.05467	18.5
93.07038	45.3
95.01320	9.0
95.04981	4.9
95.08601	100.0
97.02876	1.5
97.06536	1.7
97.10167	5.3
99.00843	1.9
99.08069	1.7
101.02377	2.8
103.03937	4.6
103.05470	1.6
105.07023	46.7
107.08591	74.6
109.06529	3.0
109.10149	81.5
111.08076	12.6
111.11709	1.9
113.02400	5.2
113.09633	1.5
117.06998	6.3
119.08574	66.8
121.10136	61.5
123.08101	1.8
123.11705	28.9
125.08679	1.1
125.09640	4.4
129.06993	2.8
130.07780	2.1
131.03430	4.2
131.08562	17.8
133.10126	61.7
135.11684	42.2
137.09634	1.9
137.13263	8.1
139.11140	7.7
141.01813	20.7
143.08569	6.6
144.09361	2.0
145.10121	29.7
145.11276	1.6
147.11681	39.5
149.13257	34.6
151.11192	3.1
151.14861	2.3
153.12694	1.4
155.08575	1.4
156.09317	1.1
157.10101	7.8
158.10915	1.7
159.02895	24.9
159.11682	36.2
161.13254	41.4
163.11183	4.2
163.14818	29.6
165.12712	4.8
167.14186	1.7
169.10120	2.9
171.11633	7.5
173.13260	27.6
174.13936	1.4
175.13277	1.5
175.14812	32.7
177.03960	10.7
177.12758	1.8
177.16373	29.3
179.14407	1.5
179.17966	1.7
183.11664	3.3
185.13278	8.5
186.14005	1.3
187.14796	20.7
189.16374	36.0
191.14346	2.7
191.17941	19.9
193.05020	1.2
193.15858	4.2
195.17496	2.2
197.13211	1.6
199.14761	7.3
200.05547	1.9
200.15680	1.1
201.16370	28.4
203.17947	52.4
205.15874	8.2
205.19554	5.0
207.17442	8.0
209.13283	1.2
211.14809	2.5
213.16377	8.8
215.17937	22.4
217.16080	1.9
217.19510	33.1
219.17421	15.5
219.20874	1.4
221.18910	9.1
225.16403	1.8
227.17943	11.6
229.19492	31.4
231.17427	2.5
231.21037	3.1
233.19003	10.5
235.20518	3.4
239.17938	2.2
241.19556	4.5
243.21062	11.1
245.19057	5.8
247.20561	16.6
251.17978	1.2
253.19582	3.5
255.21040	7.3
257.22525	9.2
259.20547	1.4
261.22122	5.8
267.21164	2.4
269.22641	7.5
271.20752	1.2
271.24100	2.6
273.22159	3.6
275.23691	4.3
281.22610	4.2
283.24161	3.9
285.22275	1.7
287.23651	4.8
295.24170	3.1
297.25674	3.9
299.23584	2.0
301.25314	2.4
311.27332	3.4
313.25287	3.0
315.26721	3.5
329.28302	2.7
351.18060	3.1
351.30563	1.8
363.30511	1.9
365.19623	2.6
365.31949	5.4
379.21011	2.3
381.31296	1.7
383.28552	1.1
383.33118	4.2
403.33548	2.4
405.35126	20.9
411.36520	2.3
419.24304	1.3
421.34451	2.3
423.36203	53.4
432.31818	1.1
441.37268	15.2
447.35504	1.4
484.22510	1.0
543.82794	1.0
553.39166	1.6
563.36975	1.3
581.38336	13.7
599.39404	15.5
617.40161	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
66.51804	0.7
67.05489	3.1
68.43455	0.7
70.85687	1.6
70.86064	1.4
79.05492	1.7
81.07050	3.4
83.08627	0.8
85.06567	0.7
91.05473	2.0
93.07045	2.9
94.07358	1.0
95.08591	2.3
105.07027	1.9
107.08586	1.5
109.10175	1.1
119.08595	2.2
121.10126	2.0
123.08114	1.3
131.08549	1.1
133.10123	1.4
134.93848	0.7
135.11707	1.1
145.10118	1.0
157.10085	0.7
165.09142	1.1
203.14304	0.7
218.17261	0.7
221.15306	1.4
222.15785	1.7
239.83885	0.8
261.58182	0.9
283.15140	13.1
339.17776	6.5
560.83862	0.8
617.40118	100.0
618.40277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80994	2.3
53.03943	2.8
55.05511	9.9
56.08601	2.0
56.19485	2.1
57.03428	2.9
57.07079	2.8
65.03916	2.9
65.68764	2.8
67.05502	30.0
69.03418	3.2
69.07064	19.5
69.67667	13.6
69.68076	4.9
71.01362	5.3
73.02911	9.3
79.05489	16.5
81.07063	54.6
83.08608	8.5
85.02912	35.3
85.41108	2.3
91.05479	20.4
93.07043	48.1
95.01334	8.0
95.04980	2.9
95.08608	100.0
97.02901	2.3
97.10171	8.2
99.08089	2.8
101.02376	2.9
105.07029	48.5
105.26178	2.6
107.07861	4.1
107.08595	75.1
107.09294	5.4
109.06499	4.3
109.10157	74.1
111.08082	8.1
111.11658	2.7
113.02374	6.8
117.07014	9.0
119.08580	70.2
121.10139	64.8
123.11693	30.3
125.09650	2.7
129.07011	4.7
131.03447	5.5
131.08585	20.9
133.10133	53.2
135.11693	46.4
137.09572	2.4
137.13286	9.5
139.11186	8.1
141.01814	20.0
143.08569	9.3
145.10114	29.5
147.10529	2.7
147.11696	42.3
149.13255	33.0
151.14891	2.8
157.10146	8.6
159.02890	15.9
159.11676	35.2
161.13275	37.6
163.11234	5.2
163.14847	27.3
165.12761	6.0
169.10196	4.2
171.11710	10.3
173.13283	26.6
175.14825	30.0
177.03963	7.4
177.16382	27.6
183.11763	4.0
185.13229	5.9
187.14851	17.0
189.16414	37.4
191.17926	20.6
193.15904	4.1
195.17484	3.5
199.14810	7.9
201.16383	28.2
203.17966	49.0
205.15871	5.9
205.19482	3.4
207.17465	5.0
208.81055	2.1
213.16313	4.6
215.17967	19.9
217.19470	29.9
219.17461	13.9
221.19032	9.0
224.91721	2.3
227.17982	9.4
229.19493	27.8
231.17462	3.3
231.21126	3.2
233.18994	7.2
235.20491	4.1
239.17688	2.9
241.19513	3.7
243.21123	10.3
245.19060	4.7
247.20529	11.0
253.19514	3.2
255.21062	7.7
257.22635	7.8
261.22238	4.6
267.20990	4.3
269.22614	6.7
271.24200	2.7
273.22247	2.4
275.23807	3.3
281.22723	2.6
287.23630	5.3
288.42468	3.0
297.25711	3.4
298.62039	2.8
309.25916	3.1
311.27438	4.0
313.25180	3.1
315.26828	3.3
365.32068	2.6
379.21170	2.6
390.39764	2.6
405.35187	22.3
423.36200	59.3
423.58484	2.7
441.37241	16.4
536.30902	2.7
551.91888	2.6
581.38153	8.6
599.39728	16.5
617.40863	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	617.3519
Annotation	alvespimycin
Peak:m/z	Relative Intensity
51.22490	1.1
53.03942	1.1
53.51258	1.1
53.67030	1.0
55.05513	1.2
56.26651	1.1
67.05504	2.4
69.07061	1.3
71.04984	1.2
71.60349	1.7
77.00906	3.5
77.47956	1.1
79.05495	1.7
81.03461	1.5
81.07050	2.0
83.04973	2.2
85.02908	5.0
85.58145	1.0
91.05501	1.9
93.06996	1.6
93.15019	1.2
95.01955	4.2
95.04944	1.1
95.08607	3.2
97.06556	1.6
102.53284	1.1
105.07037	1.3
107.08582	1.5
109.10186	1.7
119.08652	1.1
119.38366	1.0
121.10102	1.2
127.03889	1.2
133.10123	1.2
145.06059	1.2
158.57098	1.1
162.09248	1.3
171.06535	1.5
221.05045	1.4
255.18076	1.5
260.88873	1.1
289.05295	3.3
319.25043	4.1
321.26376	8.6
339.27310	5.3
351.28012	3.1
369.28809	4.3
371.85165	1.2
387.29459	2.0
411.29428	1.3
414.46286	1.4
513.33252	9.6
531.34637	7.2
537.33600	1.3
555.34943	10.3
573.35846	27.2
598.85706	1.3
599.33960	28.7
617.35059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3505
Annotation	Cussovantoside C
Peak:m/z	Relative Intensity
55.01857	0.8
55.05491	0.6
55.88673	0.4
56.96563	1.4
59.63336	0.4
62.18717	0.4
67.05504	1.1
69.03423	0.6
69.07072	0.7
70.05973	1.4
70.06611	0.5
71.05010	0.4
76.02240	0.4
77.00911	1.4
77.39471	0.4
79.05488	1.1
80.71035	0.4
81.03412	1.0
81.07059	1.9
83.04964	0.5
83.08618	0.5
85.02898	0.6
89.80202	0.3
91.05492	1.4
93.07030	0.9
95.01943	2.3
95.04964	1.1
95.08607	1.0
97.02902	0.6
97.06525	0.9
97.10153	0.5
98.21512	0.4
98.97565	0.4
105.07037	0.9
107.04966	0.6
107.08589	0.6
109.02926	0.4
109.10177	0.9
113.20290	0.5
116.98648	0.4
119.01947	0.7
119.08561	0.9
121.10078	0.6
123.08073	0.4
125.74669	0.4
126.99984	0.5
129.06958	0.4
131.01889	0.8
131.08583	0.7
133.10181	0.5
137.09676	0.4
143.08568	0.6
145.10094	0.7
147.08041	0.6
147.11610	0.3
149.02972	0.4
161.02943	0.5
163.03918	0.9
171.11742	0.8
180.05089	0.4
185.04286	0.5
193.12248	0.7
199.11407	0.5
200.60214	0.4
211.13391	0.9
212.13545	0.6
221.05022	1.2
227.05170	0.6
245.06332	0.5
255.18100	0.6
259.09708	0.5
291.19482	0.6
292.19812	0.9
303.25369	1.8
305.23444	1.4
308.09067	0.7
309.09808	0.4
321.26328	3.3
323.24420	0.5
333.26447	2.0
339.27567	2.4
351.28262	2.0
357.26233	0.6
369.29092	3.0
392.78232	0.5
437.34537	0.4
477.31412	0.5
495.32617	2.3
513.33728	4.5
519.32349	0.7
531.34839	6.2
537.34021	7.4
555.34961	11.0
563.32043	0.8
573.35883	19.5
581.32947	8.1
599.33978	32.2
600.34424	0.5
617.35046	100.0
618.35736	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64832	0.4
58.06570	0.6
60.04542	0.4
61.02923	2.9
68.05027	9.9
69.03422	1.6
69.07070	0.7
69.77675	2.4
70.06588	100.0
72.08143	1.0
73.02925	1.4
81.03421	0.6
81.07047	0.6
82.31239	0.4
84.04492	0.9
84.08135	0.4
84.09274	0.4
85.02898	3.6
86.06061	39.6
86.09698	21.7
88.03981	0.5
91.03941	2.3
91.05500	1.2
93.03389	0.5
93.07058	0.5
93.35109	0.4
95.04945	0.4
96.04516	1.1
97.02863	2.0
98.06050	8.8
98.06660	0.6
99.04428	0.4
100.07654	0.5
101.02475	0.4
101.53271	0.4
105.07013	0.9
106.04185	0.6
107.08656	0.4
109.02916	0.5
112.07658	0.4
113.07129	0.8
114.05544	1.6
115.03934	0.5
119.08650	0.5
121.06487	1.1
122.06895	0.6
126.05511	3.7
126.73817	0.4
127.03931	1.1
128.07069	2.6
128.10742	0.9
129.10318	0.4
132.06589	0.4
132.10231	0.9
133.10165	0.4
135.11664	0.4
136.52295	0.4
142.05009	1.3
145.04938	0.7
149.05986	1.0
149.09566	0.4
155.15462	0.8
161.05975	0.7
167.15424	0.6
177.05470	0.6
177.12747	0.6
181.08598	0.7
181.13358	1.1
182.09091	0.4
183.11459	0.8
183.14920	18.0
189.09059	0.4
199.14418	3.4
209.08102	2.0
210.08482	1.1
211.11023	1.3
211.14404	24.2
225.16032	0.5
227.13863	1.0
244.55602	0.3
245.14952	42.0
248.11237	0.7
248.60124	0.4
253.15616	1.0
287.16153	1.3
313.94852	0.4
317.41260	0.4
324.19244	1.5
342.20200	12.1
370.16846	1.4
407.20245	23.6
420.67822	0.5
443.55011	0.4
455.28601	21.5
497.29773	1.6
504.25461	17.1
617.24347	0.4
617.34021	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	617.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.96563	20.9
67.05490	0.7
69.07057	0.7
69.84303	1.9
71.95263	0.7
72.96043	0.3
74.97620	0.7
77.35537	0.3
79.05482	1.2
81.07069	2.0
83.04980	0.4
84.96033	15.8
91.05484	1.1
93.07048	1.9
95.04953	0.7
95.08594	1.3
97.06528	0.6
98.97578	8.4
102.97060	3.1
105.07013	2.2
107.08610	2.1
109.06509	0.5
109.10173	0.6
110.97573	1.0
112.99143	0.9
113.39263	0.3
116.98611	8.9
117.07031	0.3
119.08556	1.6
120.98106	1.0
121.10146	1.9
123.08048	1.1
124.99114	1.3
125.06023	0.5
125.98599	0.3
128.98578	3.0
129.07004	0.5
131.00159	2.0
131.08586	0.9
133.10152	1.2
134.99664	6.0
135.08107	0.5
135.11667	0.4
137.09627	0.4
140.00218	0.7
140.98601	1.3
142.07779	0.4
143.00140	6.9
143.08522	0.7
144.98099	2.2
145.10121	1.3
146.99626	4.8
147.08034	0.6
149.01205	2.6
149.09569	0.3
149.13286	0.3
151.07555	1.4
152.00095	0.4
153.00745	1.0
155.00179	1.2
157.01744	1.3
157.10136	1.3
158.01295	0.7
158.99654	3.0
159.08061	0.5
159.11681	0.4
161.01210	17.4
161.13205	0.5
162.99129	6.5
163.11200	0.7
165.00743	1.3
165.09123	0.7
166.01736	0.6
167.02248	1.4
167.10684	0.9
169.10112	0.4
170.01167	0.4
171.11720	0.8
172.94281	0.9
173.01215	3.6
173.02547	0.3
173.13362	0.5
175.02802	1.5
177.00694	1.8
179.02257	4.6
180.94724	0.9
181.00214	1.1
181.10263	0.3
181.12238	0.7
182.99619	3.0
184.02843	1.2
185.01205	0.6
186.00797	0.5
187.02797	0.4
189.04448	0.6
189.12802	0.4
190.95300	1.9
191.02318	1.6
195.01698	0.5
195.11627	0.4
196.02867	0.6
197.13237	0.4
198.95821	4.8
201.00703	10.2
201.02560	0.6
203.02365	1.1
203.05923	0.4
203.14417	0.6
208.96307	0.4
212.97487	0.6
214.95467	0.4
216.96925	1.5
219.01768	3.4
221.13422	0.5
221.15233	1.8
221.97574	0.5
224.02357	1.3
224.97455	1.2
227.09554	0.4
228.96948	0.8
230.98421	0.5
237.16292	0.4
240.96855	3.6
242.98482	2.7
246.95830	1.3
246.98085	1.0
254.98485	1.4
258.98059	1.7
263.98596	0.4
264.96887	8.2
282.97928	15.7
286.19281	0.3
287.98584	0.9
296.99548	0.7
300.98975	10.3
305.99643	1.5
310.28894	0.3
317.17865	21.8
318.18225	0.7
324.00494	0.6
325.83087	0.3
335.18887	11.5
345.64749	0.3
353.19916	0.5
357.01776	0.9
358.20554	2.7
375.02850	1.2
391.21674	2.1
400.30136	0.3
489.18314	0.4
557.21143	0.8
599.22052	2.5
599.40283	0.5
617.22986	100.0
618.23273	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	617.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
55.78082	0.3
56.84560	0.3
56.96566	22.1
59.37519	0.3
67.05492	0.6
69.03455	0.4
70.86361	0.7
70.86681	0.3
71.95250	0.9
74.97620	0.7
81.03418	0.5
81.07044	0.8
83.04973	0.4
84.96033	18.3
91.05482	0.8
92.98650	0.4
93.07040	1.1
95.04958	0.4
95.08614	0.6
97.96804	0.4
98.96918	0.6
98.97578	11.6
102.32019	0.3
102.97057	2.8
105.07040	1.2
107.08597	0.7
109.10201	0.5
110.30687	0.4
110.53281	0.3
110.97571	1.2
112.99148	0.8
115.97803	0.4
116.98620	9.8
119.08591	0.8
120.98132	1.0
121.10133	0.9
123.08080	0.3
124.99124	1.8
125.98635	0.5
127.00725	0.3
128.96150	0.3
128.98602	3.8
131.00154	2.4
131.08537	0.6
133.10127	0.6
134.99663	5.4
135.08076	0.3
137.31522	0.3
139.00751	0.5
140.00217	0.4
140.98564	1.6
143.00162	9.0
143.08585	0.5
144.98087	3.4
145.10138	0.7
146.99657	4.7
147.08147	0.4
149.01224	4.4
151.07594	0.6
153.00731	0.6
154.01823	0.4
154.93204	0.3
155.00169	1.4
155.08440	0.4
157.01768	1.8
157.10028	0.4
158.01247	0.5
158.99657	4.1
159.11795	0.4
161.01218	18.7
162.99142	8.2
163.11198	0.4
165.00719	1.1
165.09111	0.7
166.01779	0.4
167.02258	1.9
169.05409	0.3
172.94339	1.4
173.01234	5.0
173.13295	0.4
175.02843	1.1
177.00687	2.2
179.02269	4.0
180.94849	0.9
181.00177	0.9
182.99634	3.4
184.02870	1.1
185.01251	0.8
186.00841	0.5
189.00859	0.4
190.95351	2.1
191.02319	2.0
195.01736	0.5
198.95827	5.3
201.00710	11.7
203.02312	1.0
207.13870	0.4
208.96457	0.5
210.95827	0.3
212.97511	0.4
214.95442	0.6
216.96964	2.2
217.03854	0.8
219.01753	4.0
221.15433	1.2
222.95903	0.8
224.02328	0.6
224.97452	1.4
228.96973	1.0
236.97504	0.4
240.96892	4.3
241.21498	0.4
242.98457	2.2
245.10710	0.4
246.95670	1.8
246.98076	1.8
254.98503	0.7
258.97961	1.7
260.99527	0.7
264.96881	9.4
264.99542	0.5
282.97943	19.1
286.19296	0.6
287.98550	0.9
296.99573	1.4
300.99017	14.6
303.00626	0.4
305.99603	1.8
317.17877	22.0
318.18118	0.9
319.00119	0.6
324.00662	0.8
335.18915	12.4
336.19272	0.5
357.01688	2.6
358.20447	1.8
373.78564	0.3
375.02753	3.0
391.21704	2.0
391.26199	0.4
489.18509	0.9
557.21033	1.7
599.21875	2.8
599.40961	0.4
617.23016	100.0
618.23297	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	616.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56546	0.4
54.27532	0.3
56.05026	1.1
56.82073	0.4
56.96328	0.6
56.96561	6.2
56.98807	0.4
58.06603	0.9
60.08162	6.8
62.57177	0.4
67.01685	0.5
67.05492	1.3
69.07059	0.5
70.06587	0.6
71.07369	4.8
71.60355	0.5
71.95264	0.6
72.08134	1.1
72.85836	0.5
79.05500	0.8
81.07056	0.8
86.09704	22.2
88.07638	0.6
91.05492	0.6
93.07018	0.8
95.08617	1.1
101.44114	0.5
104.10741	100.0
107.08588	0.8
120.37370	0.5
125.00006	1.8
128.98669	0.6
136.93289	0.6
146.99675	1.5
149.02342	1.1
150.02713	0.7
154.94162	1.7
161.01228	0.7
165.00630	0.5
171.03384	0.6
171.54427	0.5
172.95212	7.5
180.95744	2.0
184.07350	2.8
189.04422	0.6
190.96286	5.4
193.05005	1.8
194.05325	0.8
195.05400	0.5
195.96902	0.7
198.96774	14.7
210.96849	0.9
216.97852	19.8
221.98332	1.5
228.97827	3.6
228.99770	0.5
234.99065	0.8
239.99522	1.9
240.09839	2.3
245.10681	0.7
246.99120	0.6
254.99423	1.7
256.26401	1.4
257.26715	1.2
258.04059	0.8
258.27023	0.8
273.00473	0.6
278.01297	0.6
282.04123	1.3
300.05237	1.2
314.06915	1.2
317.17865	22.1
335.18930	15.4
358.20541	3.4
373.20645	1.0
386.09570	1.0
387.09845	2.4
437.17703	1.9
441.17282	1.6
453.16922	2.5
471.18298	4.0
494.20541	0.7
497.19760	4.8
500.24518	10.8
504.72119	0.9
525.45093	0.5
556.27106	16.6
577.59192	0.5
616.29523	8.1
617.23059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85198	0.7
55.01857	3.3
55.05511	7.3
56.05035	3.9
56.96554	0.7
57.03415	1.0
57.07066	1.0
58.99584	11.2
60.04500	1.3
65.03954	1.1
67.05499	20.3
68.58866	0.9
69.03428	3.2
69.07064	7.1
69.90094	4.6
70.02952	19.0
70.06581	0.9
71.01334	0.8
71.04983	2.7
71.06086	0.8
72.04513	0.9
73.01137	1.7
74.00661	4.3
74.02426	2.1
76.02224	39.9
76.03995	8.3
76.16669	0.7
77.03935	0.8
79.05058	0.9
79.05492	12.4
80.05013	1.1
81.03397	1.2
81.07058	22.6
83.04975	6.2
83.06091	2.4
83.08634	4.4
84.04507	12.3
85.01109	1.3
85.02898	0.8
85.04026	0.9
85.06550	2.7
86.00641	1.4
86.99046	4.4
87.83441	0.6
88.02206	3.6
88.03996	3.3
91.05479	20.3
93.07043	15.0
95.04992	3.9
95.08601	8.7
97.01122	5.1
97.06527	2.6
98.09684	2.6
99.02700	1.4
99.04472	1.0
99.05592	6.0
100.02195	2.4
101.00616	0.9
102.00104	5.2
105.07027	16.8
105.07674	1.4
107.04957	4.1
107.08594	14.8
109.06557	3.8
109.07626	2.1
109.10148	20.0
111.02684	1.5
111.08081	3.2
112.02174	2.6
112.03944	0.7
113.00559	1.0
113.04253	1.1
114.00111	2.8
114.03782	1.5
116.01673	22.4
116.03432	2.7
117.06992	3.0
119.08558	6.5
121.06469	2.7
121.10137	2.9
123.02672	0.8
123.08044	2.9
123.11725	3.9
124.02119	0.8
125.04204	2.2
126.03709	0.7
127.02103	0.7
127.05029	1.6
127.07504	1.1
128.01642	2.2
129.06615	3.2
130.04996	6.7
131.08559	4.3
133.06520	1.2
133.10126	27.9
135.08051	7.0
135.11688	2.3
137.09630	2.6
139.02086	1.1
139.05742	1.0
141.04773	1.0
141.07388	1.1
142.03220	6.8
143.08559	2.2
144.01141	9.2
145.06078	100.0
145.10121	2.9
147.08018	1.2
147.11693	1.9
149.09589	1.3
151.05760	4.9
151.11168	13.4
153.06622	2.4
155.08237	1.6
157.10162	1.0
159.11685	1.9
161.09607	2.9
161.37001	0.8
162.02208	23.7
168.08418	0.8
169.06865	2.5
169.10144	0.9
169.12204	4.1
170.02693	3.7
171.11638	1.2
175.11266	1.9
177.03302	5.0
179.04851	41.3
179.10716	1.1
181.06090	2.5
187.05342	2.6
187.07864	1.5
189.03293	1.3
189.12665	1.0
191.10739	1.1
196.07889	1.5
199.07114	3.5
209.09897	1.1
211.07393	0.8
211.11353	1.2
212.11047	1.9
215.04901	1.4
215.12798	3.2
223.13307	1.0
225.29424	0.8
227.11115	1.0
231.04321	1.2
233.05927	7.1
236.11086	1.5
243.10521	0.9
245.05942	3.4
245.18834	0.8
250.12585	1.5
254.12093	5.0
263.20074	0.8
268.13593	2.5
272.13126	2.1
273.18481	7.9
274.10312	3.8
275.43622	0.7
280.13562	1.2
282.11588	1.1
286.14746	2.1
291.19540	17.5
297.12808	1.0
308.09103	8.2
309.20587	6.2
311.14166	2.0
323.16937	1.4
331.13284	1.1
331.17181	2.1
332.25159	1.4
339.13800	3.9
348.19992	4.2
349.18259	2.2
357.14569	4.7
366.21127	7.9
371.16223	5.0
384.22040	12.2
451.22684	13.6
469.23663	26.9
470.22070	1.5
483.02548	0.8
487.24634	4.7
504.20016	1.4
512.31763	1.1
530.33484	1.2
541.25879	9.0
554.33325	2.0
571.07947	0.9
572.35052	5.0
580.31470	1.2
598.33563	3.6
616.34711	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	615.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27763	2.4
53.45702	2.4
55.05507	15.5
57.07072	13.3
59.05007	12.4
65.03927	5.6
67.05503	26.1
69.03436	6.2
69.07066	14.9
70.02222	11.7
71.05007	3.0
71.15717	2.0
73.06570	3.8
79.05490	27.3
81.07062	35.1
83.04964	5.9
83.08633	3.6
85.06546	26.1
87.28059	2.5
91.05480	40.7
93.07040	59.8
95.04952	14.2
95.08602	35.2
97.06526	5.7
97.10149	4.0
98.20836	3.9
103.05455	3.1
105.07021	61.5
105.07669	4.6
107.08595	41.4
109.06515	9.4
109.10142	20.0
111.08089	7.8
115.05444	5.9
117.07009	16.2
119.08579	78.9
121.06485	5.6
121.10139	34.4
123.08066	38.1
123.11701	9.8
125.05982	3.5
125.09644	14.9
128.06226	7.2
129.06993	11.6
130.07822	6.7
131.08572	33.3
133.06430	4.6
133.10126	55.6
135.08029	14.5
135.11647	24.3
137.09631	17.4
141.06975	3.1
142.07774	7.3
143.08536	24.2
144.09334	5.0
145.10106	43.6
146.44333	2.4
147.08041	21.5
147.11676	18.4
149.09653	12.0
149.13274	6.1
151.07555	49.3
151.11168	13.9
153.09181	2.7
155.08582	8.8
156.09311	13.6
157.10117	29.5
158.08846	2.7
158.10931	4.1
159.08104	4.2
159.11676	26.2
161.09660	8.9
161.13286	8.2
163.11241	12.0
165.09114	34.2
165.12692	3.6
167.08594	7.0
168.09326	4.5
169.10155	15.7
170.10977	5.8
171.11671	16.4
173.09654	4.1
173.13249	18.7
175.11278	2.9
175.14816	15.5
177.09070	3.0
177.12717	3.8
179.08551	4.6
179.10678	2.8
180.09366	5.3
181.10170	5.7
181.12280	9.0
182.10881	5.7
183.11667	12.7
183.13806	3.7
185.13298	8.0
187.11322	3.7
187.14847	7.0
189.12759	16.8
191.14355	5.5
193.10178	6.7
193.12273	5.1
195.11636	12.3
197.13272	11.4
199.11252	5.3
199.14830	5.1
201.12846	5.0
203.14319	19.0
206.10953	3.4
207.11687	7.4
207.13847	17.3
208.12276	3.1
209.13248	10.7
209.15125	3.2
210.10405	2.6
211.13264	8.0
211.14931	6.7
213.12848	3.6
213.16345	2.6
221.13254	7.1
221.15337	100.0
223.14964	4.8
223.16847	12.2
225.16481	4.1
231.17336	3.2
233.13231	4.5
233.15337	3.8
235.14845	6.6
237.16403	3.7
241.42793	2.5
247.14766	4.3
247.17046	4.3
249.18517	3.2
251.16481	8.7
261.16272	4.0
263.17911	3.9
275.17917	3.2
286.19186	4.3
287.20071	7.2
299.20135	7.2
331.22992	3.1
335.89429	2.4
375.26889	6.2
491.35214	10.6
565.40399	6.7
583.41412	26.5
597.42841	12.6
615.44037	92.9
616.44000	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92751	0.2
56.96511	6.5
56.96809	0.5
66.36445	0.2
66.48887	0.2
67.05454	0.2
67.75630	0.2
70.03480	0.6
70.03889	0.5
71.10181	0.2
71.95210	0.6
72.96011	0.5
77.21788	0.3
81.07014	0.2
91.05427	0.4
92.98592	0.3
93.07000	0.3
95.08552	0.4
107.08561	0.3
109.10118	0.2
119.08485	0.2
129.02257	0.2
133.01662	0.5
133.10072	0.3
135.03192	0.6
139.42665	0.2
141.01878	0.2
145.10100	0.3
147.03186	0.9
149.04785	0.8
153.04300	0.4
155.03819	0.3
161.04774	0.8
161.13290	0.2
165.04315	0.3
167.05814	0.3
173.04866	0.4
175.06325	0.5
175.14748	0.2
177.04245	0.3
179.05862	0.3
187.06375	0.4
189.07930	0.3
191.05833	0.3
193.07521	0.4
203.09581	0.3
207.08954	0.4
211.09970	0.3
217.11060	0.4
221.10519	0.3
225.11642	0.4
227.09494	0.2
227.13167	0.4
231.12572	0.2
235.12181	0.3
239.13220	0.3
241.11163	0.3
243.12642	0.4
245.14186	0.4
251.13278	0.4
253.14687	1.3
255.12726	1.2
255.16374	0.4
257.14175	0.2
269.14178	1.6
271.15796	1.4
273.13690	1.3
273.16364	0.2
279.16400	1.4
281.17828	2.4
285.13605	0.7
287.15237	2.0
291.16388	0.9
297.17365	3.9
299.19000	1.2
303.14703	0.9
309.17346	9.6
315.18481	2.0
321.77322	0.2
321.85046	0.2
327.18399	33.1
328.18835	0.6
332.18478	0.2
344.20987	0.4
345.19470	100.0
346.19797	1.9
347.20090	0.3
350.20148	1.9
363.20538	13.0
368.21088	11.8
369.21326	0.2
386.22134	0.3
421.33981	0.2
615.41431	30.4
616.41809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.03930	1.9
55.05517	13.4
56.96577	10.3
57.03451	2.5
57.07066	7.2
59.04998	2.3
61.02934	2.4
65.03919	2.5
65.99280	1.8
65.99670	1.9
67.05506	20.5
69.03426	11.7
69.07058	10.4
70.92097	4.9
73.02923	5.8
79.05494	21.7
81.03420	2.2
81.07056	31.6
83.04982	8.5
83.08633	12.1
85.02908	3.4
85.06558	3.5
87.04465	2.6
91.05473	27.9
93.02094	2.1
93.07043	36.8
95.04974	15.3
95.08600	30.2
97.02905	8.3
97.06537	9.2
98.97592	7.5
99.08077	2.9
105.07036	36.8
107.04909	2.3
107.08591	26.5
109.06518	15.1
109.10155	15.3
111.08089	5.1
113.09665	2.4
115.05466	3.5
116.98605	11.1
117.07011	6.4
119.08580	35.8
121.06531	6.9
121.10143	30.4
123.08058	30.1
123.11678	4.5
125.05981	5.2
125.09641	4.2
128.06230	4.2
129.07043	8.0
130.07732	3.2
131.00188	8.3
131.08562	20.0
133.06497	4.8
133.10123	24.1
134.99681	7.2
135.08067	15.9
135.11668	10.4
137.09570	13.3
139.11176	4.5
140.27449	1.9
142.07779	10.5
143.08565	15.3
145.06549	4.1
145.10136	25.9
146.99644	2.8
147.08054	21.5
147.11713	9.8
149.01225	22.3
149.09593	12.7
151.07539	30.1
153.06993	2.4
155.08574	10.4
155.10590	2.9
156.03632	9.7
156.09393	8.5
157.10114	24.0
158.10893	4.9
158.99687	5.2
159.08069	9.5
159.11678	14.0
161.01247	3.9
161.09592	9.6
161.13243	5.3
163.11209	9.0
165.07050	3.6
165.09123	22.2
167.02255	12.6
167.08577	4.7
167.10672	22.1
167.54459	5.0
168.09453	2.4
169.10173	8.9
170.10979	5.4
171.08130	3.4
171.11740	10.7
173.09634	9.3
173.13309	8.5
175.11165	3.0
175.14915	3.5
177.00719	11.2
177.09177	3.2
179.08632	7.0
180.09367	4.4
181.10159	7.3
181.12263	13.9
182.10954	2.9
183.11725	10.3
185.09613	25.1
185.13278	9.4
187.11261	7.9
187.14810	4.2
189.00708	2.3
189.12717	16.0
191.02397	2.8
191.14313	5.8
192.09369	3.7
193.10158	6.1
193.12204	2.2
194.11028	5.1
195.01807	3.7
195.11732	11.6
196.12663	3.2
197.09683	4.1
197.13290	7.5
199.11241	5.9
199.14822	3.6
201.12650	5.2
203.02385	3.1
203.14285	9.7
206.10896	3.8
207.11867	5.2
207.13849	18.1
209.13306	8.5
209.15228	3.2
211.11307	4.8
211.14862	5.9
213.12877	5.8
215.14355	4.7
217.10153	2.7
219.01794	2.3
219.11775	4.9
220.12584	4.1
221.13271	7.6
221.15327	42.3
223.11234	4.4
223.14740	3.2
225.12753	5.1
227.14441	5.7
228.05704	2.8
232.12495	4.6
233.13275	5.0
233.15488	11.2
235.14862	4.4
237.12706	2.8
237.16605	2.4
239.14433	2.7
247.14804	3.1
247.17029	4.1
249.12785	3.6
251.14291	3.5
251.17831	3.8
255.17484	2.1
260.15616	2.3
261.16504	2.4
264.42380	2.2
273.16309	3.4
277.13788	5.6
278.14502	4.3
293.05603	6.3
299.20242	5.0
307.17233	2.6
315.19705	8.0
317.17905	6.0
319.18222	3.1
321.22025	2.4
329.20837	2.1
333.18262	2.6
336.19260	4.4
337.19928	2.7
358.16425	33.7
358.66504	12.3
359.17215	53.7
363.23190	2.9
379.68869	3.3
381.24295	8.2
389.24951	5.1
407.25751	22.6
417.28537	2.7
425.30444	4.4
445.27667	3.0
453.29480	2.4
523.33887	2.7
534.29639	3.9
535.30432	8.6
555.27692	5.1
597.39276	20.6
615.40515	100.0
637.40637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05513	11.1
57.03418	2.1
57.07070	2.9
65.03954	2.1
67.05505	24.5
68.64828	1.6
69.07055	15.9
69.28706	4.2
69.29115	14.7
71.01360	2.6
72.06873	1.4
73.02910	7.3
73.40977	1.4
79.05494	21.9
81.07060	63.5
83.04984	3.7
83.08177	1.8
83.08623	10.8
85.02917	17.6
86.93571	1.7
91.05480	23.9
93.07043	56.5
93.32121	1.7
95.01323	6.9
95.04974	4.5
95.08607	100.0
97.06529	7.6
97.10159	5.6
98.20775	3.5
101.02384	3.8
103.03949	3.4
103.05483	2.0
105.07031	67.6
107.07861	3.5
107.08594	73.3
109.06506	4.7
109.10156	64.1
110.10481	2.6
111.08061	5.0
113.02357	4.7
115.05518	2.1
117.07012	9.4
119.08583	83.8
121.10151	46.4
123.08091	2.9
123.11713	18.9
125.09560	3.1
129.07008	3.8
130.07755	2.1
131.03436	4.4
131.08568	30.8
133.10136	54.3
135.11700	36.5
137.13232	6.7
141.01836	16.1
141.14793	1.6
142.07756	4.8
143.08588	12.8
143.43448	1.9
144.09338	3.7
145.10121	53.5
147.11690	43.0
149.09647	2.1
149.13263	30.3
151.11172	1.9
151.14734	2.2
155.08614	4.3
156.09357	4.0
157.10158	18.5
159.02933	4.8
159.11694	56.8
161.13258	37.4
163.11197	2.9
163.14824	14.2
165.12801	2.3
169.10130	6.1
170.10881	2.3
171.11684	16.8
173.13260	34.1
174.13947	1.8
175.14809	35.4
177.12706	2.3
177.16371	19.2
178.12994	1.9
179.14348	4.4
183.11714	7.7
185.13246	16.0
186.14000	2.1
187.14824	21.0
189.16402	44.8
191.14436	2.0
191.18073	8.7
193.15858	6.6
195.11627	3.7
197.13327	8.4
199.14813	15.9
201.16388	36.0
203.14308	2.9
203.18001	22.5
205.15889	11.7
207.17406	8.9
209.13138	2.3
211.14835	8.6
213.16400	17.5
215.17967	31.9
217.15932	3.8
217.19542	7.0
219.17476	9.2
221.13333	1.9
223.14812	1.7
225.16344	8.5
227.17967	12.8
229.19479	9.8
231.17426	8.3
231.21318	1.8
233.19009	6.6
239.17967	4.8
241.19519	6.0
243.17459	2.9
243.21083	4.3
245.19000	27.7
251.17989	2.5
253.19533	4.0
255.21112	4.2
257.18930	2.3
259.20663	6.4
263.20120	2.2
267.21057	5.6
269.22729	4.9
271.20602	4.5
271.24133	1.9
273.22147	6.1
281.22592	4.2
285.22125	6.9
293.22571	3.0
295.24234	4.1
299.23633	3.7
309.25977	2.6
313.25296	2.6
325.25098	2.3
327.26663	2.3
351.18015	3.7
352.14264	1.8
361.28784	2.0
363.30554	4.3
365.19412	9.2
381.31628	5.3
391.21295	1.9
391.33865	3.5
403.33551	11.7
409.34619	2.9
421.34610	48.7
422.34827	2.0
439.35812	17.2
457.93347	1.7
458.26953	1.6
543.34052	2.0
561.34735	2.7
579.36725	14.1
597.38007	18.4
598.38153	1.9
615.38953	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	615.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17475	5.0
55.05510	18.0
67.05499	21.0
69.03388	5.4
69.07069	23.1
71.01353	5.9
71.60230	11.1
73.02908	9.0
75.35310	5.1
77.16140	5.7
79.05487	16.4
81.07053	43.1
83.08639	11.4
85.02888	29.6
91.05486	19.4
93.07043	40.0
95.01324	21.8
95.04975	6.6
95.08603	70.5
105.07030	45.3
107.08585	57.1
109.06428	5.5
109.10139	57.2
111.32809	6.3
114.80269	5.5
115.31371	5.5
119.08584	47.6
121.10112	41.0
123.11714	25.5
129.07005	7.1
131.03508	7.2
131.08574	23.0
133.10138	31.7
135.11659	29.0
139.11154	14.1
141.01848	54.2
143.08615	11.6
145.10135	39.9
147.11696	27.5
149.13286	25.6
155.08575	10.1
157.10141	19.9
159.11679	42.0
161.13260	24.3
163.14841	37.5
167.33298	5.5
169.10150	14.6
171.11711	23.6
173.13268	28.8
175.14861	17.9
177.16432	11.1
183.11690	10.4
185.13271	17.6
186.22058	6.7
187.14766	37.9
189.16397	15.5
190.96019	6.1
195.11725	9.6
197.13295	17.3
199.14801	16.5
201.16441	24.8
203.17891	13.9
211.14868	13.9
213.16393	21.6
215.18025	16.4
223.14772	6.5
227.18010	20.0
229.19569	23.0
231.20992	7.3
239.17996	15.0
241.19565	13.4
243.21198	7.0
251.18060	9.5
253.19458	17.3
255.21118	12.3
267.21109	14.6
269.22592	6.8
285.22186	6.5
309.25745	9.9
327.26672	6.9
361.29135	7.4
363.30334	11.3
391.33298	8.1
403.06778	5.9
403.33475	29.8
421.34625	100.0
439.35715	20.5
597.37836	34.2
615.39069	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3889
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
51.44819	3.4
55.01883	2.7
55.05509	12.8
57.07081	5.8
57.57473	2.3
67.05503	28.2
69.07068	19.5
69.51237	24.3
71.01349	4.9
73.02918	9.7
79.05489	16.4
81.07063	47.9
82.07376	2.6
82.17490	3.4
83.08638	6.4
85.02913	20.2
91.05473	20.4
93.07044	42.3
95.01356	7.8
95.04959	6.4
95.08603	73.9
97.02918	3.2
97.10146	5.9
101.02378	5.2
103.05534	3.3
105.07035	43.9
107.08593	52.9
109.06541	4.9
109.10155	46.3
111.08101	5.8
113.02381	7.2
117.07019	6.8
119.08574	81.8
120.08936	3.1
121.06510	4.2
121.10136	45.9
123.08095	3.3
123.11706	19.4
125.09623	5.3
129.07013	5.4
131.03424	7.3
131.08575	31.0
133.10123	61.1
133.11063	4.2
135.11668	25.9
137.06000	5.5
137.13295	6.3
139.11197	4.6
141.01814	24.8
142.07791	4.1
143.08565	14.0
144.09430	8.0
145.10129	60.7
147.11688	45.7
147.12767	3.6
149.13266	18.1
157.10133	17.5
158.10945	4.8
159.02922	5.0
159.11690	60.5
161.13248	39.5
163.14851	12.6
165.03300	3.1
167.06982	15.5
171.11699	14.6
172.12517	5.9
173.13281	32.9
175.14832	29.9
177.12772	4.4
177.16449	12.1
183.11722	5.6
185.13322	10.6
187.14816	30.6
189.16359	37.9
191.17995	12.8
197.13365	6.6
199.14812	17.0
201.16379	89.5
203.17943	46.3
203.19672	3.0
203.27292	3.0
205.14162	4.2
205.15961	12.5
207.17538	6.6
211.14919	6.0
213.16432	11.5
215.17946	53.4
217.15952	11.4
217.19492	15.5
219.17543	12.9
223.14943	3.6
225.16487	4.4
227.18008	10.9
229.19621	8.3
231.17538	9.2
233.19070	11.5
239.17986	4.9
241.19543	4.0
243.21092	4.1
245.19035	5.4
253.19522	5.3
255.21248	9.2
267.21228	6.4
269.22803	8.9
281.22571	2.9
283.24219	3.8
295.24277	4.9
333.18979	3.3
363.30579	4.0
381.31445	3.6
389.23401	5.3
391.33810	4.8
403.33728	13.0
421.34610	70.0
421.40271	4.2
431.32837	3.4
439.35791	17.1
498.31723	2.7
579.37122	9.3
596.30914	3.3
597.37885	21.5
615.39142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01866	3.5
55.05503	12.4
57.03419	2.9
57.07067	3.2
65.03939	2.6
67.05502	29.2
68.99786	1.7
69.03407	2.4
69.07063	14.9
70.06552	1.3
71.01353	3.7
71.05000	1.5
72.08157	2.4
72.87824	1.0
73.02919	11.3
77.09454	1.2
79.05493	23.6
81.07056	67.7
83.04980	2.7
83.08202	1.2
83.08620	8.6
84.08164	1.8
85.02905	21.9
85.40070	1.1
91.05479	29.3
93.07047	52.3
95.01344	8.4
95.04955	6.2
95.08604	100.0
97.02879	2.7
97.06545	13.4
97.10167	5.6
99.00790	2.6
101.02374	4.0
103.03927	3.2
103.05424	2.0
105.07030	69.2
107.04942	2.7
107.08594	70.7
109.06541	5.3
109.10155	60.8
109.10921	2.5
111.08083	5.6
113.02381	4.6
115.05472	1.8
115.17781	1.2
117.03381	2.5
117.07029	8.1
119.04952	4.2
119.08579	83.7
121.10141	46.7
123.04441	1.2
123.08088	2.7
123.11702	17.8
125.02341	1.5
125.09595	2.2
129.07021	8.1
130.07822	1.6
131.03406	4.6
131.08577	30.9
133.06598	1.4
133.10124	58.9
135.08034	2.1
135.11694	38.9
137.05989	3.5
137.09503	1.2
137.13252	5.3
139.11145	2.3
139.95670	1.1
140.14182	1.1
140.46631	1.2
141.01819	17.8
141.07051	1.6
142.07788	5.1
142.98994	1.1
143.08559	14.5
144.09346	3.2
145.02855	5.0
145.06534	1.2
145.10118	51.4
146.03268	1.5
146.10524	1.3
147.04408	16.5
147.11682	51.7
148.04736	3.5
148.12096	1.4
149.06058	1.2
149.09622	1.5
149.13258	34.5
151.11185	2.6
155.08572	4.7
156.09299	4.6
157.10129	21.2
158.10945	1.5
159.02910	3.7
159.11688	51.3
161.06055	1.3
161.09644	2.2
161.13257	41.0
161.14600	2.2
163.11119	1.6
163.14812	13.7
165.12756	3.8
166.06332	1.1
167.07042	5.6
167.08432	1.7
168.43806	1.1
169.10072	6.1
170.10973	1.8
171.11682	21.1
173.13274	33.5
175.11336	2.0
175.14819	34.4
177.03946	2.3
177.05402	9.5
177.12788	3.0
177.16382	14.6
178.05815	3.9
179.14299	4.1
181.04997	3.6
181.10121	3.0
182.10890	1.3
183.11697	10.5
184.12489	1.6
185.13275	19.3
187.14810	25.9
189.12730	2.2
189.16376	44.3
191.14273	3.7
191.17958	9.3
193.10223	2.1
193.15840	8.1
195.11679	3.8
196.12448	1.4
197.09529	1.2
197.13306	7.8
198.14070	1.8
199.11249	1.4
199.14813	16.8
201.16377	32.7
203.12648	1.1
203.14255	6.1
203.17935	19.9
204.10210	4.1
205.10577	3.6
205.15851	12.2
205.19469	2.0
207.17429	7.0
209.13254	3.9
211.14798	7.6
212.15565	1.5
213.16350	19.2
215.14676	1.5
215.17949	29.2
217.15948	6.0
217.19437	9.7
219.17432	10.4
221.19020	1.5
223.14841	2.9
225.16342	8.2
227.17923	15.0
229.15793	2.1
229.19496	8.8
231.17426	9.9
233.18973	8.7
234.11179	2.5
235.17075	1.4
237.16472	3.1
239.17885	5.8
241.16165	1.6
241.19475	6.1
243.17432	4.5
243.21123	3.9
245.19022	20.6
251.17923	3.5
253.19458	7.5
255.21085	7.1
257.19016	2.1
259.20636	5.6
263.20123	2.6
267.21140	6.5
269.19019	1.5
269.22665	3.7
271.20596	6.2
273.22107	8.0
275.17563	1.7
279.21075	2.0
281.22693	5.0
283.20499	2.7
285.22049	8.9
287.23645	2.1
293.22787	1.8
295.24173	3.6
297.21863	2.0
299.23856	2.8
307.24213	2.4
309.25549	1.7
311.23584	2.2
313.25330	2.1
318.92682	1.5
325.25302	1.5
327.26816	1.6
339.26767	1.9
347.18512	2.5
351.18033	4.3
361.29044	2.2
363.30203	2.3
365.19644	10.9
375.65152	1.3
377.19229	1.9
379.21280	1.4
379.29944	2.5
381.31516	3.1
391.21051	2.0
391.33630	1.9
403.33575	12.8
409.34482	3.0
419.32968	2.7
421.34622	50.2
439.23953	2.0
439.35669	16.2
450.23831	2.4
451.24234	5.7
468.24734	3.4
469.25238	14.1
471.27350	2.1
539.33771	2.7
561.35083	2.3
567.37170	1.3
579.28418	1.5
579.36877	16.6
597.37909	25.6
615.39154	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01859	2.6
55.05288	1.5
55.05511	14.4
55.40152	1.3
57.03422	4.5
57.07072	3.1
61.02940	1.6
65.03937	1.3
67.05504	29.1
69.03426	2.3
69.07069	16.3
69.38072	10.5
69.38503	1.8
70.06574	2.8
71.01342	4.4
71.05006	2.4
73.02912	9.3
78.07310	1.3
79.05488	23.8
81.03426	3.5
81.07057	59.7
83.04975	3.7
83.08611	7.7
84.04538	1.3
85.02895	18.2
85.06522	1.6
86.09697	2.0
91.05473	25.2
93.07042	57.4
95.01311	7.4
95.04964	7.5
95.08603	100.0
97.02881	2.0
97.06521	9.5
97.10159	3.1
99.00804	1.8
100.11252	2.4
101.02375	3.7
103.03920	3.0
105.07030	66.8
107.04947	2.6
107.08592	71.1
109.06505	5.3
109.10154	65.5
109.10918	2.6
111.08090	7.4
113.02367	5.8
115.05462	1.8
117.07009	10.4
119.04965	2.0
119.08576	81.9
120.08101	1.4
121.02903	1.6
121.06480	2.8
121.10136	54.0
123.08054	1.9
123.11703	14.7
123.98545	1.2
125.09644	3.1
128.06210	2.7
129.06989	8.9
130.07803	2.8
131.03389	4.1
131.08559	27.3
133.06511	2.0
133.10127	52.3
135.11690	35.6
135.89610	1.4
137.05949	3.5
137.09604	5.4
137.13271	7.6
139.11177	1.5
141.01814	14.8
141.06966	2.4
142.07774	4.7
143.08591	14.4
144.09273	3.2
145.10114	48.7
146.10756	1.7
147.04393	5.4
147.08063	1.6
147.11684	45.0
148.12135	1.4
149.13251	26.5
151.03976	1.3
151.11205	3.0
155.08557	5.5
156.09377	3.8
157.10107	23.0
157.11276	1.8
158.10912	2.8
159.02844	2.7
159.11685	49.2
161.13258	37.1
163.11160	1.2
163.14827	11.2
165.09103	2.0
165.12802	2.9
167.07072	2.4
167.08543	2.0
169.10074	7.3
170.10931	3.4
171.11678	20.1
173.13271	26.4
175.14822	30.3
177.12732	4.0
177.16357	15.3
179.14339	2.2
181.04997	2.9
182.10846	1.6
183.11711	8.8
184.12335	1.5
185.13268	15.2
187.14801	24.3
189.12721	4.4
189.16380	48.6
189.18106	2.3
191.14319	3.6
191.17902	6.7
193.15831	6.9
195.11638	3.9
196.12404	1.8
197.13184	7.3
199.14839	17.4
201.16377	31.7
203.14357	4.1
203.17937	20.6
204.10217	2.2
205.15852	10.0
205.19524	1.3
207.17433	7.4
209.13222	2.9
210.14836	1.9
211.14911	8.2
213.13036	1.5
213.16408	19.9
215.14633	1.9
215.17957	25.5
217.15883	5.8
217.19394	7.6
219.17427	7.1
223.14877	3.7
225.16406	7.0
226.17053	2.0
227.17928	14.2
229.15900	1.6
229.19455	6.9
231.17433	8.2
233.19106	6.7
236.56197	1.5
237.16351	1.6
239.18015	5.6
241.19547	4.5
243.17490	4.2
243.21098	4.3
245.19019	16.9
251.17978	2.9
253.19542	4.1
255.21136	6.3
257.19070	2.8
259.20566	4.3
263.20126	2.2
265.19391	1.6
267.21115	5.2
269.22665	4.8
270.23438	1.4
271.20554	5.1
271.23737	1.5
273.22208	6.8
279.21011	2.1
281.22662	2.9
283.20703	1.5
283.24026	2.5
285.22137	4.1
287.23874	2.3
293.22522	1.8
295.24191	1.9
299.23746	3.2
311.23730	3.2
313.25198	4.0
327.26578	2.7
351.18100	3.1
361.28995	1.6
363.30380	2.2
365.19485	8.4
379.21313	1.8
381.31473	3.2
391.33466	1.8
403.33405	11.0
419.32953	3.3
421.34683	36.3
439.35794	12.9
454.51437	1.4
567.36792	2.0
571.23560	1.4
579.36780	15.5
597.37872	19.2
615.39197	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	614.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
58.06596	0.8
63.02404	0.8
65.03922	1.0
69.07037	0.7
71.60310	0.8
72.08157	9.9
81.07064	1.2
84.08171	1.5
85.02913	1.4
89.03944	5.0
91.05480	8.6
93.07065	0.9
95.04941	1.0
97.06531	1.0
98.03747	0.7
103.56258	0.7
112.11268	4.7
115.68553	0.7
117.03384	13.6
119.04945	21.1
129.13884	2.3
134.03603	1.3
134.97574	0.8
135.04379	1.1
135.16014	0.7
145.02844	37.9
146.16548	1.2
147.04410	100.0
149.05937	4.2
155.11797	1.7
172.14447	1.3
177.05473	59.4
184.04541	0.7
186.05551	0.9
199.12405	0.7
203.11815	2.8
204.10199	35.9
217.13419	2.9
218.11821	5.3
233.12852	2.0
234.11255	26.0
247.14536	0.9
274.19247	1.0
275.17487	10.4
292.20230	9.0
305.18585	5.6
318.18076	2.4
322.21277	3.1
420.22787	16.5
421.21280	1.7
438.23892	33.6
450.23959	23.0
451.22009	1.2
463.79065	0.8
468.24945	57.6
491.18887	0.8
614.29370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	35.2
57.03437	18.4
67.05515	88.4
69.07069	42.3
71.60603	17.0
77.74584	11.7
79.05505	35.4
81.03426	100.0
81.07059	92.2
83.04977	15.0
83.08625	27.0
89.06030	40.5
91.05493	30.8
93.07056	33.1
95.04957	29.0
95.08601	72.9
95.53193	12.2
97.06531	17.4
105.07045	32.3
107.08592	15.8
109.06528	13.3
109.10167	32.7
119.08593	32.1
121.10141	21.4
123.11774	15.5
129.06973	14.0
133.08635	29.0
133.10127	16.5
135.11684	11.5
147.11703	15.9
163.11159	10.9
193.12370	23.0
267.15958	92.0
277.08902	15.2
310.83667	15.4
322.35028	13.8
337.27386	93.5
396.14584	12.0
452.26511	12.6
529.39178	63.2
533.00580	13.7
547.40253	20.2
589.48694	13.4
614.47961	41.4
641.59283	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	615.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70306	0.2
55.01855	0.4
55.05497	0.4
57.03436	1.5
58.06580	0.3
58.41975	0.2
59.04955	0.2
61.02910	0.6
63.45115	0.2
65.03945	1.0
69.03433	1.9
69.34221	2.0
70.06576	0.4
71.04988	6.3
73.02874	0.3
73.27703	0.2
75.04462	0.5
81.03398	0.9
83.04979	2.4
84.04469	0.2
85.02901	13.2
87.04466	0.9
91.05478	6.2
97.02869	1.8
98.06035	1.0
99.04471	0.3
109.02840	0.7
111.04450	1.3
119.04939	18.5
125.10743	0.8
126.09153	5.4
127.03943	1.3
129.05473	2.4
137.05879	0.2
143.11790	3.2
144.10185	0.5
145.04953	0.9
147.04402	100.0
148.04739	0.7
161.12836	0.7
165.05307	0.2
169.09706	1.0
187.10788	0.4
204.10191	30.8
237.02885	0.4
256.25623	0.2
289.15424	2.8
290.13846	0.7
291.13394	1.4
293.10245	0.5
307.16522	4.2
307.19534	0.2
307.28976	0.2
435.20883	0.3
453.22684	0.3
490.22464	0.3
512.21289	3.0
597.26013	1.0
598.25427	0.3
615.27557	45.3
616.27722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	2.0
53.37730	0.7
54.33781	0.8
55.05509	14.1
57.03436	5.4
57.07059	3.0
65.03937	2.4
67.05502	48.3
68.53835	0.8
69.06717	1.1
69.07064	16.5
71.04982	1.7
71.08627	1.3
79.05492	26.1
81.07054	47.6
83.04990	1.3
83.08613	8.9
85.06528	3.0
91.04893	1.0
91.05476	19.7
93.07040	29.3
95.04968	3.1
95.08604	41.3
97.06504	2.3
97.10169	5.6
99.08089	1.4
105.07024	23.1
107.08595	19.9
109.10158	20.1
111.08060	2.1
111.11693	0.9
115.05418	0.9
117.07025	7.0
119.08579	20.6
121.09306	1.2
121.10143	17.1
123.08052	1.3
123.11702	8.2
125.09647	1.4
128.06302	1.0
129.06995	3.5
131.08559	15.1
133.10130	16.0
135.11696	12.3
137.13257	3.2
139.11218	1.0
143.08543	5.0
145.10120	16.6
147.11684	14.8
149.13280	7.3
151.14830	1.2
155.08557	1.6
157.10144	5.5
159.11685	13.8
161.13242	9.6
163.14824	4.9
169.10129	1.9
171.11662	5.2
173.13260	12.5
175.14844	5.4
177.12958	0.9
177.16344	1.7
179.14381	1.3
181.10292	0.8
183.11632	1.8
185.13284	5.3
187.14839	7.7
189.16388	3.3
191.17946	1.6
197.13255	2.1
199.14856	3.4
201.16435	3.7
203.17941	2.4
211.14825	1.2
213.16400	2.6
213.30023	0.8
215.17957	2.1
217.19576	1.3
225.16429	1.2
227.18018	1.4
227.77336	1.0
229.19699	1.1
229.77075	1.1
231.21086	1.5
233.18974	0.9
241.19656	4.3
243.21135	2.6
245.18689	0.9
259.20612	7.4
261.22101	12.1
263.23730	1.7
269.22913	1.0
271.20605	0.9
273.22122	1.5
277.21738	0.9
279.23291	0.9
285.22299	1.0
287.23682	1.1
299.23697	2.2
313.25177	1.3
315.23404	1.6
317.24762	1.8
321.24222	0.9
325.25467	0.8
333.24274	6.5
335.25787	17.6
337.27338	10.4
341.28516	1.2
347.25952	0.9
349.27597	0.8
353.33536	0.8
355.30042	1.3
357.27762	0.9
383.33545	0.9
385.30801	0.9
477.35489	0.9
489.36111	1.5
503.36880	2.0
517.39136	0.9
521.43604	5.9
529.38965	1.2
531.40179	1.1
539.44873	4.9
540.28748	0.9
543.40533	1.3
595.47308	12.1
613.48212	100.0
614.48346	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03935	1.9
55.05511	16.3
57.03432	3.9
57.07077	3.0
65.03927	1.8
67.05504	43.5
69.07068	16.2
71.04977	1.9
71.44743	2.0
72.92551	1.0
79.05495	24.6
81.07057	51.1
83.05000	1.7
83.08620	7.5
85.06544	1.5
85.07646	1.2
90.46252	0.9
91.05480	18.4
93.07042	30.0
93.07626	1.8
95.04971	3.6
95.08604	38.7
97.06547	1.2
97.10149	5.7
99.08136	1.0
105.04589	1.2
105.07028	20.8
107.08598	20.8
109.06532	1.9
109.10149	22.5
110.75422	1.2
111.11710	1.5
117.07004	7.8
119.08579	20.4
121.10141	19.0
123.11717	9.0
129.07005	4.0
131.08571	17.8
133.10135	17.0
135.11674	12.5
137.13242	3.4
139.11179	1.3
142.07735	1.1
143.08582	6.1
145.10126	15.1
147.11674	15.4
149.13258	7.7
155.08633	2.1
157.10100	4.9
159.11684	13.6
161.13240	9.2
163.14876	4.2
169.10199	1.9
171.11697	6.7
173.13269	9.2
175.14851	6.5
177.16405	1.8
183.11696	1.5
185.11816	1.0
185.13216	4.9
187.14799	6.2
189.16339	1.9
191.18034	1.3
197.13313	1.6
199.14966	4.9
201.16447	2.2
203.18028	2.0
211.14815	1.8
213.16458	2.4
215.17978	2.3
217.19565	1.7
229.19476	1.5
231.21004	1.3
241.19748	2.0
243.21083	1.9
245.19209	1.1
252.58704	1.5
259.20499	8.0
261.22141	10.9
263.23801	1.2
273.22183	1.8
291.22946	1.1
313.25372	1.3
317.24838	1.9
333.24210	6.2
335.25821	15.8
337.27350	10.0
339.26697	1.2
355.29904	1.6
356.99780	1.3
392.34201	1.3
407.83893	1.1
433.23419	1.3
451.35516	1.5
489.35678	2.2
503.36731	1.7
521.43445	5.6
529.38861	2.5
539.44537	4.0
543.40387	2.5
564.53381	1.2
595.47327	11.6
613.48230	100.0
614.48859	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
54.13645	3.4
55.05503	12.2
57.03416	3.7
58.05329	3.5
63.08182	3.3
65.03944	4.9
67.05505	23.9
69.03422	4.2
69.07053	17.0
69.43521	22.4
69.43922	9.9
73.02910	10.1
75.46426	4.0
79.05482	20.2
81.07055	50.2
83.08633	3.7
84.08141	5.0
84.45240	3.7
85.02914	18.5
86.09718	3.9
91.05467	31.3
93.07047	59.2
95.01338	8.7
95.04964	10.9
95.08047	7.8
95.08607	100.0
97.06519	6.8
99.08120	3.7
101.02385	4.6
103.03909	4.5
103.05385	3.8
105.07025	63.2
107.04945	7.2
107.07876	4.1
107.08594	75.1
109.06479	6.6
109.10149	48.7
111.08097	4.1
117.06997	12.6
119.04971	5.0
119.08577	82.0
121.10141	45.7
122.03642	7.5
123.08025	4.9
123.11679	20.1
129.06941	4.0
131.03444	5.1
131.08589	18.1
133.10118	52.0
135.11678	53.8
137.05972	63.9
137.13237	6.2
141.01839	11.4
143.08543	14.3
145.10129	39.3
147.04373	6.6
147.11696	41.2
149.06000	4.6
149.13231	23.2
151.03923	7.2
151.14743	4.9
153.01825	5.8
157.10150	22.1
159.02849	4.3
159.11697	36.5
161.05894	4.1
161.13248	29.5
163.03902	4.6
163.14799	11.3
167.07011	25.2
169.10094	10.3
171.11696	28.0
173.05991	4.6
173.13249	39.1
175.14833	25.6
177.16367	12.3
181.04973	17.5
183.11690	10.8
183.81131	3.7
185.13286	16.4
187.14815	19.3
189.12805	5.1
189.16356	32.4
191.14301	4.9
191.18027	5.1
195.11670	7.9
197.13255	10.5
199.14836	19.4
201.16293	22.8
203.17961	17.3
205.08623	4.9
209.13312	7.4
211.14890	7.0
213.16338	13.2
215.14386	7.2
215.17906	19.5
217.15926	8.9
221.98369	4.4
223.14908	7.8
225.16315	10.4
227.17952	9.4
229.15901	8.7
229.19498	7.5
231.17357	8.7
241.15865	7.7
241.19426	5.2
243.17456	10.2
243.21126	5.4
245.19017	5.6
255.21104	5.0
257.04553	6.6
257.18890	4.6
261.18570	37.5
269.18988	4.2
271.20599	11.3
272.10516	6.6
273.18451	5.0
275.20093	7.8
281.18967	5.3
283.20517	6.6
285.21976	5.9
287.20114	6.7
289.21567	12.9
301.21634	8.4
311.05490	15.9
311.15018	7.4
315.23218	4.7
323.15146	5.2
323.24078	4.1
351.17999	12.3
357.13452	8.5
387.14462	29.8
413.16006	11.5
419.33105	42.5
437.34399	33.2
459.10507	6.6
491.77982	4.0
577.35291	8.2
595.36523	30.0
613.16492	7.7
613.38208	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20628	1.8
51.85107	2.1
55.05506	8.8
55.36873	2.1
56.96550	3.6
57.03429	5.5
57.79754	2.0
60.04816	2.1
61.02922	6.6
67.05510	19.2
69.03426	5.8
69.07047	13.1
70.06594	3.4
71.04990	6.0
72.08154	15.5
73.02914	3.0
74.23426	1.9
79.05492	11.0
81.03429	3.7
81.07057	36.9
83.04984	2.4
83.08613	5.5
85.02906	11.2
85.06538	3.6
86.09704	2.9
91.04005	3.8
91.05470	18.0
92.55847	1.9
93.07052	13.8
95.08601	38.1
95.09163	3.4
97.02897	6.7
97.06531	7.6
97.10180	3.4
99.04475	3.3
99.08083	3.8
99.42239	2.1
105.07021	9.9
107.04931	10.3
107.08605	4.0
108.05285	3.3
109.02820	3.3
109.06488	2.6
109.10138	3.4
111.08089	2.2
115.05480	2.0
117.07027	2.6
119.08578	16.7
120.08099	2.3
121.10131	4.5
123.08041	3.5
127.03917	6.6
133.10156	12.1
134.67538	2.3
134.99602	2.7
135.11696	6.1
137.06055	2.5
137.09648	3.0
137.13271	3.1
145.04973	3.8
147.11664	2.8
149.01300	2.8
161.13272	23.5
167.07002	3.3
179.14290	17.7
181.05016	2.6
197.15370	2.5
211.19083	1.9
253.18034	5.0
263.09390	2.3
264.09161	2.6
271.19055	100.0
288.14343	2.2
326.12964	5.5
326.63104	3.0
347.15311	5.7
415.23392	3.6
433.24319	9.7
509.20715	3.4
584.91571	2.2
613.22375	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	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.5
56.96563	42.7
59.52996	1.3
61.18264	1.1
64.63825	1.2
67.05498	3.3
70.03235	5.8
70.20061	1.5
71.95272	2.3
72.96014	1.3
74.97607	1.9
79.05492	1.7
79.18584	1.1
81.07048	3.0
84.96036	5.3
91.05479	1.6
93.07050	2.9
95.04966	2.0
95.08607	2.8
98.91968	1.5
98.97581	53.8
105.07021	2.7
107.08598	2.7
109.10161	1.7
110.97609	2.8
112.99116	12.2
116.98622	57.4
118.97401	1.3
119.08592	2.6
121.10133	3.5
123.08068	1.1
128.98616	4.9
131.00165	35.1
131.01120	2.3
131.08556	1.8
133.10129	1.9
134.98633	2.1
134.99658	37.2
140.00200	4.2
140.98648	1.9
142.07719	1.4
143.00175	5.4
143.08556	1.6
145.10095	2.4
145.65694	1.2
146.99669	10.7
149.01222	60.5
153.00706	5.4
154.01794	4.2
156.14447	1.3
158.01299	4.2
158.99638	24.8
161.01222	14.9
162.99156	2.3
165.00766	2.6
167.02287	17.3
170.99637	2.4
171.11716	1.7
172.02747	6.6
173.01178	6.0
175.02771	2.1
177.00711	55.5
179.02235	4.3
179.08530	1.5
185.01207	2.3
185.49307	1.2
189.00671	6.0
191.02248	10.7
195.01720	7.2
199.02783	8.4
200.02396	6.5
201.00661	1.5
203.02303	8.6
209.01184	3.0
209.03387	1.7
214.03896	1.8
215.02246	4.3
217.03831	6.0
219.01840	11.3
226.03894	2.0
227.02277	4.5
233.03413	3.2
237.02815	10.7
240.81418	1.4
245.03140	1.8
255.03963	2.7
269.62546	1.3
275.04367	15.7
293.05438	66.8
301.91055	1.3
311.06509	16.6
316.06989	9.7
317.17865	100.0
318.18207	1.5
334.08078	5.1
335.18921	61.3
348.47818	1.4
358.20541	16.1
377.19940	8.5
391.21561	5.6
497.24228	4.5
553.26843	64.2
553.35541	3.1
613.39697	3.6
624.38995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	36.1
58.28976	1.4
67.05495	2.7
70.73681	4.1
71.95242	1.9
81.03383	1.8
81.07037	2.7
84.96027	5.3
85.09444	1.9
91.03554	1.6
91.05483	2.4
93.07057	1.6
98.97584	50.1
110.97589	2.1
112.99114	10.7
116.98624	47.7
119.08545	1.8
127.29948	2.1
128.98589	6.6
131.00163	31.4
131.64380	1.9
134.99660	30.3
140.00179	7.0
143.00186	6.5
146.99661	11.3
149.01219	60.0
149.23940	1.6
152.98605	2.1
153.00647	4.6
154.01689	2.2
158.01262	3.9
158.99655	22.8
161.01216	13.9
162.99156	2.6
165.00754	2.7
167.02261	16.2
170.99635	3.8
172.02756	5.5
173.01216	6.3
175.02800	3.1
177.00713	48.5
179.02306	2.0
184.02869	1.7
185.01201	4.0
189.00688	5.2
191.02246	11.5
195.01764	8.6
195.04410	2.1
199.02846	8.6
200.02321	8.2
203.02275	6.9
209.01282	3.9
215.02304	3.0
217.03831	8.4
219.01773	11.7
221.03343	2.3
227.02339	4.2
233.03302	2.9
237.02771	7.3
255.03893	2.8
275.04413	11.7
293.02103	2.1
293.05426	63.0
311.06458	15.0
316.06973	10.7
317.17889	100.0
334.08115	5.1
335.18918	52.4
358.20511	15.3
377.20038	10.6
391.21616	4.3
403.21423	1.7
447.52612	1.9
497.24100	6.0
502.53424	1.7
553.26855	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.5
55.05516	3.3
55.64961	3.3
56.57059	3.2
56.96569	4.6
65.03946	30.2
67.05483	7.7
69.90087	19.8
70.06580	5.2
72.08144	4.0
73.46050	3.4
79.01993	4.0
79.05476	8.0
81.03406	6.0
81.07055	8.6
81.91396	3.8
85.02897	6.8
86.09691	4.0
91.05459	9.9
93.03384	5.7
95.04964	11.4
97.06487	4.7
98.20834	7.0
103.05495	4.3
105.07024	9.9
107.04940	9.3
109.06544	6.1
109.10105	3.5
110.03634	22.8
111.04458	30.6
115.05459	4.3
119.04948	5.9
119.08595	6.4
121.02871	19.4
123.04464	6.6
125.05989	23.8
131.04929	5.4
133.06461	10.0
135.04341	4.7
137.05975	29.7
137.18367	3.3
145.06450	5.6
147.04405	14.6
149.05983	4.9
151.03874	9.2
153.01828	12.8
153.05475	100.0
159.07999	6.0
161.05975	13.2
163.03900	10.5
165.05479	8.3
165.06970	5.2
167.07045	27.1
168.97023	3.5
175.07605	7.5
177.05453	8.7
179.07050	4.3
181.04968	31.8
181.06416	6.4
187.07538	8.3
191.08560	8.3
195.08086	5.5
199.07547	4.1
204.10220	4.0
207.08195	3.9
209.08031	5.5
215.06873	4.2
217.08612	5.0
219.08084	6.6
220.08839	4.2
225.07405	7.6
229.05009	4.4
236.08429	7.0
239.06989	6.3
247.09644	12.5
251.10648	15.2
253.08577	12.4
254.09555	4.4
264.08130	5.3
265.08490	6.1
266.05899	3.5
269.11676	4.2
279.10104	4.4
282.08746	4.3
286.04550	4.2
287.05389	5.4
297.11215	7.8
307.09659	8.8
311.05463	6.1
325.10709	51.8
328.82266	3.9
337.10645	4.5
339.12369	28.9
351.12219	6.6
357.13385	52.1
369.13458	6.6
387.14371	5.3
438.24554	4.7
489.11743	8.7
509.46417	4.3
613.16400	38.0
613.31598	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	613.2282
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
55.01876	2.9
56.96615	1.2
63.19554	1.4
64.95451	1.3
65.03936	4.6
67.05515	3.5
69.03432	2.8
69.07054	1.8
70.06592	2.5
70.62325	2.5
70.62659	1.8
71.04993	1.7
78.04711	3.2
79.05483	4.6
80.08484	1.1
81.03419	2.5
81.07060	4.6
85.02915	5.7
86.09715	2.5
91.05466	8.8
93.07053	2.5
93.68584	1.2
95.04977	5.8
95.08615	3.7
97.02925	1.6
97.06557	1.7
103.05476	10.5
105.03341	1.9
105.07053	6.3
106.04214	2.5
107.04953	4.3
107.08583	2.5
108.02091	2.0
109.10196	1.5
111.04450	3.5
115.05424	7.4
117.07005	11.2
118.04179	2.3
119.04945	4.6
119.08588	4.4
121.06511	2.3
121.10089	1.8
122.03691	3.2
123.04432	7.6
124.05239	2.8
124.56269	1.4
125.05997	2.8
129.07050	1.6
131.04929	11.6
133.02861	2.3
133.06493	3.8
134.03740	1.7
135.08090	2.0
137.05980	40.1
145.06494	14.7
145.10110	2.1
147.04417	8.5
147.08080	2.6
148.05223	5.2
149.06010	1.8
151.03905	32.9
151.04958	1.8
152.04648	2.5
153.01880	3.8
153.05492	4.5
155.06079	4.2
161.06065	3.4
163.03949	2.4
163.07579	8.7
165.05539	4.2
167.07043	100.0
171.06595	3.1
173.05977	22.5
175.07568	4.6
177.05609	2.4
179.07149	2.6
181.04959	58.4
181.08546	2.6
187.07578	2.6
191.07013	40.7
193.04936	2.1
195.06651	2.1
203.07104	3.7
205.08534	6.5
207.06616	1.6
208.07327	2.0
209.08133	3.8
219.10185	1.5
225.07693	5.8
229.37947	1.5
233.08015	6.6
235.09567	6.1
237.09206	1.9
263.09167	6.2
269.08032	1.5
273.04083	4.5
297.11517	1.6
302.04309	1.7
355.11804	3.1
357.13361	5.1
385.12827	20.8
387.14346	18.3
399.13831	1.8
417.15402	9.8
463.10327	2.2
481.11374	13.9
583.21710	2.1
613.22955	43.7
613.32275	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2277
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03932	0.9
55.01866	2.1
57.03422	0.8
65.03934	5.0
66.69476	0.6
67.05518	3.3
69.03421	1.1
69.95411	3.5
71.01338	1.5
79.05495	4.0
81.03419	3.5
81.07042	3.7
83.04966	0.7
85.02903	3.6
91.05470	6.1
93.03399	2.1
93.07049	1.8
94.04176	1.4
95.04969	6.1
95.08594	3.6
97.06511	1.6
103.05470	22.1
105.03387	3.0
105.04517	0.8
105.07040	6.9
106.04221	0.8
107.04958	5.5
107.08571	2.3
108.02087	1.4
109.06499	3.6
109.10151	2.3
110.03661	1.2
111.04428	2.4
111.08023	0.9
115.05479	5.0
117.07001	4.5
118.04181	4.1
119.04928	3.2
119.08615	3.3
120.05737	0.8
121.02692	0.7
121.06490	2.0
121.10133	1.8
122.03643	5.0
123.04413	4.1
125.05972	3.6
128.02602	0.6
128.06189	0.7
129.06999	2.1
130.04172	1.1
131.04927	30.1
131.08566	2.0
132.05730	0.7
133.02869	3.7
133.06496	6.7
133.10126	2.8
134.03625	1.1
135.04398	1.6
135.08049	2.6
135.11668	1.2
136.05136	0.9
137.05975	70.8
138.03145	0.9
140.04663	1.1
141.05441	3.1
143.04932	2.1
143.08565	0.8
144.05717	1.6
145.06491	4.7
145.10081	1.8
146.03598	2.0
147.04404	2.9
147.08028	1.4
147.11694	1.6
148.05177	10.4
149.06039	3.1
149.13232	1.0
151.03909	82.6
151.07460	1.8
152.04568	0.8
153.05458	5.8
155.07033	2.9
157.06487	1.5
157.10103	0.8
159.07999	1.1
159.11703	1.6
160.05167	1.3
161.05974	5.0
161.13231	1.8
162.06808	0.9
163.03926	1.1
163.07544	22.4
165.05495	9.2
165.06862	1.5
165.09041	0.9
166.06238	1.2
167.07048	10.7
171.04376	1.0
171.06543	3.3
173.05966	4.7
173.13222	1.7
175.07552	6.6
176.04659	3.0
177.05481	2.7
177.09111	1.0
179.07022	2.2
179.08525	0.8
180.07779	3.7
180.12157	0.7
181.04959	58.3
183.11769	0.7
183.50026	0.7
187.07541	2.3
189.05476	1.1
189.09135	1.6
189.16287	1.2
190.06238	1.2
191.07031	100.0
193.04968	4.4
193.08551	1.7
195.06467	1.6
197.08104	1.3
201.16350	1.0
203.07024	4.0
205.06613	1.4
205.08609	3.9
207.06474	4.0
207.10190	1.7
208.07281	6.1
209.08014	3.7
213.16321	0.6
215.06998	1.3
217.08559	1.9
219.10110	2.2
223.09543	1.4
225.07536	13.2
225.09500	1.2
226.08345	2.5
231.06485	1.1
233.05946	1.3
233.07990	5.1
234.06799	1.4
235.07672	1.1
235.09639	4.8
237.09070	2.6
239.07169	0.7
243.17400	0.9
245.08134	1.1
247.07463	1.1
249.09102	1.5
251.06964	0.7
253.08560	0.7
259.09668	0.8
262.06137	0.9
263.06870	0.7
263.09180	10.7
265.08606	1.7
267.10037	1.6
277.08545	2.1
277.37668	0.8
281.11465	0.8
283.09756	1.1
293.08261	1.3
294.08957	0.9
295.09619	1.8
297.11063	1.4
299.12762	0.8
306.07944	0.8
306.32550	0.7
307.09760	1.3
309.11063	1.5
325.10538	1.6
327.12314	4.0
329.13821	2.1
337.10580	1.3
351.12329	1.8
355.11716	8.7
357.13275	2.2
359.15048	0.8
369.13470	3.3
387.09409	1.2
387.14386	19.1
437.34106	1.1
448.62225	0.8
466.59317	0.7
571.60052	0.8
595.36194	1.3
613.37469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
53.70108	2.1
54.16442	1.7
55.01874	14.7
55.05513	8.6
57.03437	4.9
58.22283	2.4
58.99583	8.0
67.05504	18.9
69.03429	6.9
69.07066	4.8
69.74692	14.9
70.02946	6.1
70.06597	8.5
71.05007	12.5
72.08152	3.6
73.02903	2.6
74.00668	23.0
76.02224	27.6
76.04008	12.5
78.01807	2.2
78.03798	2.7
79.05487	17.4
81.03414	9.7
81.07052	37.1
83.04989	9.9
83.06101	8.0
83.08625	5.6
84.04505	30.6
84.08131	3.0
85.02898	7.5
85.04028	31.9
85.06544	6.9
86.09683	3.2
86.99075	4.5
87.04446	3.3
88.04008	1.8
91.05482	14.5
92.01712	13.4
93.07042	28.8
95.04966	6.5
95.08593	18.6
97.01125	4.2
97.02892	4.8
97.06527	51.5
97.10152	4.8
98.97587	5.6
99.02699	2.2
99.04456	2.0
99.05598	10.9
99.08113	3.9
100.11214	2.0
102.05559	4.1
105.07030	11.7
106.02906	3.1
107.04961	3.0
107.08570	15.2
109.02905	2.3
109.10103	4.7
111.02660	6.2
111.08104	4.0
112.03949	5.7
113.03498	11.0
113.04192	2.1
113.06035	2.7
114.05614	2.0
116.01659	14.3
116.60212	1.8
116.98590	3.3
117.07045	7.9
119.08601	8.0
120.08067	3.0
121.06530	3.6
121.10157	9.0
123.08048	2.2
124.03967	8.3
125.04221	8.1
127.03935	4.3
127.04984	2.3
127.17956	1.9
129.06551	10.4
130.04996	47.5
131.02898	3.2
131.04518	23.0
131.08577	8.5
133.10124	10.5
135.05473	3.0
135.08105	5.1
135.11697	10.1
136.07584	7.2
142.03239	7.5
144.01154	7.3
145.05042	2.1
145.06084	37.2
147.11688	7.7
149.03787	3.0
149.09647	3.4
149.13272	10.4
153.06606	4.8
157.10176	3.9
158.99759	2.0
159.02303	3.7
159.11679	14.7
160.00615	5.0
161.13295	4.5
162.02231	19.1
163.11247	2.5
165.12769	7.7
175.11185	3.8
177.00838	5.3
177.03281	100.0
177.12747	20.2
179.04832	30.7
179.09065	2.0
179.14319	4.9
181.04555	3.4
181.06140	6.4
182.15494	2.7
185.02374	2.8
185.03802	18.0
187.05353	2.8
193.12270	6.4
195.13818	19.8
199.07123	3.4
213.14885	8.5
215.12846	3.4
218.04854	4.2
229.12541	2.7
231.04317	25.7
240.14130	2.1
245.06029	2.2
252.14183	3.0
257.17441	2.9
268.08301	3.2
269.17505	12.9
270.15244	16.7
271.19144	5.4
274.10355	6.1
287.05469	8.7
287.18533	20.6
288.05927	12.9
298.14807	11.0
303.04913	2.3
304.05380	6.5
306.07550	15.5
308.09036	5.0
310.09012	4.4
326.13632	2.0
344.18823	6.1
345.17233	5.8
356.15094	2.9
362.19995	16.3
399.19220	4.6
400.17944	3.3
412.17764	4.1
427.18668	2.6
429.88718	2.6
430.18881	20.2
432.20291	3.1
435.21832	3.5
447.21729	22.7
448.20044	5.7
450.13248	3.1
465.22623	90.5
483.23727	9.9
501.22324	4.1
502.22086	2.6
513.22644	2.5
519.23706	25.1
537.24811	13.6
576.25739	5.9
577.24664	3.0
594.18372	3.5
594.26935	29.0
612.27911	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	612.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01869	12.4
55.05506	6.8
56.05034	2.0
56.96550	1.9
57.03455	3.9
58.99582	7.4
60.04514	1.9
67.05505	18.8
69.03439	4.3
69.07068	5.7
70.02935	5.3
70.06583	7.2
70.72334	2.5
70.72678	3.3
71.04991	11.5
72.08145	3.1
74.00666	21.8
76.02234	23.5
76.04008	14.7
78.03797	3.1
79.05487	14.7
80.53756	1.8
81.03413	8.6
81.07061	36.9
83.04974	6.8
83.06107	5.4
83.08619	5.6
84.04503	26.7
84.08169	3.1
85.02911	5.6
85.04031	28.6
85.06541	4.8
86.09702	2.6
86.99061	1.9
87.02683	2.0
87.04456	3.7
88.02228	1.8
88.46564	2.0
91.05467	14.6
92.01705	12.8
93.07056	23.2
95.04990	4.2
95.08607	16.8
97.01116	2.6
97.02860	2.2
97.06527	43.7
97.10165	3.5
98.06054	1.8
98.97575	4.4
98.98205	1.9
99.05595	11.0
99.08092	2.1
99.94697	1.7
102.05530	2.4
105.07018	15.7
106.02912	3.0
107.04967	2.8
107.08594	8.6
107.95184	1.8
107.95918	1.7
109.06527	2.6
109.10153	7.7
111.02685	6.8
111.08092	5.1
112.03968	9.2
113.00567	2.6
113.03496	12.9
113.04211	3.4
116.01680	14.7
116.98640	3.1
117.06999	6.7
119.08582	7.7
121.06523	3.8
121.10147	5.5
123.08083	4.0
124.03954	6.8
125.04231	7.6
127.03862	2.0
129.06583	10.2
130.05013	46.7
131.04507	23.8
131.08620	9.2
131.09467	2.3
133.10120	7.2
134.99591	2.5
135.08022	2.9
135.11705	7.3
136.07573	7.8
137.04230	2.9
139.03215	3.1
142.03224	4.7
144.01170	8.1
145.06078	29.7
145.10101	1.9
147.08130	2.0
147.11696	8.9
149.03867	2.4
149.09576	2.3
149.13258	9.6
153.01868	2.1
153.06580	5.0
159.02272	2.1
159.11687	14.4
160.00638	4.9
161.13251	3.9
162.02191	18.8
165.12775	6.4
167.10632	2.0
170.02658	2.0
171.15089	1.7
177.00836	3.9
177.03288	100.0
177.12738	21.0
179.04875	20.1
179.14363	5.2
181.04599	2.1
181.06068	7.1
182.15393	2.2
185.03806	16.5
193.12233	4.7
194.15572	2.0
195.13855	21.3
199.07101	2.3
213.14902	5.3
218.04730	3.0
223.11606	2.3
231.04318	20.9
233.06000	2.9
252.14244	4.4
257.17355	1.9
269.17450	11.6
270.15295	15.4
271.18991	6.0
274.10257	4.5
287.05533	6.7
287.18500	19.4
288.06100	14.7
298.14810	11.5
303.04947	2.9
304.05420	3.6
306.07480	12.3
308.09048	4.9
317.14261	2.7
327.16473	3.5
344.18707	3.7
345.17337	4.8
362.19995	12.4
399.19455	3.9
407.12451	2.3
412.17795	2.9
429.20523	3.4
430.18924	16.2
435.21542	3.1
447.21570	20.3
448.20062	6.6
450.13953	2.2
465.22693	81.3
483.23605	10.2
501.22644	3.7
502.22610	2.3
513.22400	2.8
519.23840	21.3
537.25012	10.9
539.25970	2.1
576.25635	5.6
594.26959	26.1
612.28296	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01847	1.8
55.05508	15.4
57.03424	3.3
57.07082	2.7
60.99771	1.0
61.34825	1.0
65.03924	1.3
67.05170	2.1
67.05499	28.2
69.07071	13.7
70.04367	5.7
71.08633	2.1
79.05492	16.2
81.07050	23.2
83.04969	1.4
83.08614	7.4
85.06534	2.2
86.39824	1.0
89.06092	0.9
89.94847	1.1
91.05475	16.3
93.07035	18.9
95.04973	3.1
95.08597	24.2
95.11548	0.9
97.06538	2.0
97.10143	4.6
105.07024	16.8
105.21637	1.1
107.04975	1.1
107.08588	12.8
109.06496	1.1
109.10145	10.9
115.05450	1.2
117.07009	11.5
119.08562	14.9
121.10148	8.5
123.08089	1.5
123.11681	3.1
125.09627	1.1
128.06203	1.4
129.06990	10.7
131.08559	18.7
133.10124	9.5
135.11751	4.8
141.06993	3.7
142.07803	1.6
143.08545	13.5
145.10097	15.8
146.83749	1.0
147.11702	6.7
149.13255	4.1
155.08565	7.5
156.09276	1.5
157.10138	14.1
159.11688	12.6
161.13277	4.8
163.11166	1.4
163.14819	1.7
169.10091	9.3
171.11702	9.9
173.13245	8.2
175.14847	2.4
177.16374	2.3
179.14317	1.7
181.10147	3.4
183.11690	10.1
185.13284	8.8
187.14833	5.1
189.16380	2.8
191.17908	1.3
193.10039	1.0
195.11745	3.5
197.13165	6.2
199.13217	1.1
199.14766	5.0
201.16399	3.9
203.17955	1.6
209.13353	3.1
211.14812	4.9
213.16425	3.7
215.17943	2.0
221.13245	1.1
223.14894	2.5
225.16449	3.4
227.17961	3.5
229.19490	3.1
231.21120	1.2
237.16396	1.5
239.18011	2.7
241.19682	1.5
243.21103	2.3
251.17793	1.3
253.19827	1.6
255.21216	1.3
255.26324	1.1
257.18832	1.1
265.19537	1.4
267.20969	1.4
275.20120	1.8
283.20575	1.5
353.28381	1.9
449.33826	1.5
501.41486	1.8
519.42004	10.7
523.37830	1.3
537.42950	3.8
593.45703	10.3
611.46686	100.0
612.47388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03939	2.4
54.89990	0.9
55.01869	1.5
55.05509	16.5
57.03427	5.7
57.07066	2.1
65.03946	1.8
67.05499	48.3
69.07066	17.2
70.77265	2.8
71.04993	2.4
79.05487	34.1
81.03392	1.0
81.07049	46.0
83.04972	2.1
83.08609	9.1
85.06547	3.1
91.05473	29.4
93.07035	39.5
95.04957	4.3
95.08601	36.5
95.09230	1.1
97.06535	2.3
97.10147	4.8
99.08097	1.5
105.07019	35.1
107.08588	21.6
109.06518	1.8
109.10141	15.8
109.10826	1.6
111.08095	2.7
115.00498	1.0
115.05457	2.0
117.07011	14.1
117.40511	0.9
119.08576	30.6
121.10141	15.6
123.11672	4.2
125.09621	1.1
128.06218	2.2
128.88899	1.0
129.06989	11.9
130.07794	1.0
131.08559	26.2
131.09506	1.7
133.10114	24.1
135.08014	1.2
135.11688	11.9
137.09639	1.1
137.13249	1.9
141.06999	2.2
142.07774	3.5
143.08539	13.8
144.09410	1.5
145.10109	23.3
147.11674	16.3
149.13252	6.5
155.08514	5.1
156.09398	2.4
157.10106	15.2
159.11674	16.1
161.13240	10.7
163.14815	2.8
167.08597	1.8
169.10049	5.9
171.11668	12.1
173.13271	11.8
175.14763	4.7
177.16307	0.9
181.10164	3.5
183.11693	5.1
185.13219	10.4
187.11200	1.3
187.14873	5.8
189.12776	0.9
189.16396	2.3
195.11746	2.6
197.13182	5.1
199.14825	7.3
201.16388	2.9
203.17960	1.5
209.13255	2.1
211.14815	3.5
213.16418	5.0
215.17972	2.7
223.14891	1.2
225.16415	1.2
227.17982	2.7
229.19420	1.6
231.21141	1.8
235.14781	1.5
239.17964	1.6
241.19542	8.2
243.21185	1.8
246.14014	1.0
249.16524	1.1
251.17943	1.5
255.21158	1.4
257.19073	3.9
259.20541	18.8
261.22192	2.5
264.00891	1.0
297.22260	1.4
299.23730	1.0
307.24326	1.0
313.25208	1.5
315.23248	2.0
317.24710	1.4
333.24280	11.0
335.25772	19.1
339.27042	1.0
351.25723	1.0
353.28302	2.0
365.28552	1.3
367.30338	1.5
449.34076	1.0
487.34460	1.4
491.06763	0.9
501.41263	1.6
505.83871	1.0
515.36993	0.9
519.42059	7.4
537.43304	4.5
541.38495	2.9
593.45630	10.4
611.46661	100.0
612.47211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.43705	1.1
55.01865	1.7
55.05296	1.1
55.05516	14.3
57.03434	5.9
57.07074	3.7
59.26905	1.5
65.03934	1.7
67.05505	35.8
69.07069	16.4
70.86266	2.9
70.86634	2.5
71.06065	1.2
73.43505	1.2
79.05496	29.7
81.07056	43.7
83.04993	2.3
83.08601	8.7
85.06548	2.0
91.05480	24.4
93.07043	31.6
95.04970	4.3
95.08606	32.4
95.92355	1.2
97.06559	2.2
97.10168	4.2
104.06183	1.1
105.07028	30.4
107.08592	23.9
108.90994	1.2
109.06511	1.5
109.10158	13.0
110.45796	1.2
117.07011	10.9
119.08582	24.3
121.10133	16.0
123.11697	3.8
125.09615	1.4
128.06259	1.8
129.06996	9.5
130.07780	1.3
131.08556	22.0
133.10121	20.5
135.11685	11.4
137.09653	2.2
141.06987	3.4
142.07803	1.8
143.08556	13.0
144.09367	1.6
145.10126	21.5
147.11700	15.3
149.13268	6.0
155.08592	6.0
157.10139	13.1
159.11691	16.4
161.13239	12.2
163.14816	1.7
167.08522	2.7
169.10112	8.9
170.10619	1.3
171.11691	11.7
173.09515	1.3
173.13246	11.8
175.14828	8.0
179.14365	1.9
181.10150	3.3
183.11690	9.2
185.13277	11.5
187.14891	5.3
189.16461	2.1
195.11716	2.2
197.13304	5.6
199.14859	6.6
201.16400	3.9
209.13266	2.4
211.14891	4.4
213.16394	3.0
215.18008	2.1
225.16379	3.5
227.18065	2.9
229.19487	1.4
231.21240	1.7
237.16563	1.7
239.18004	1.9
241.19568	7.6
243.21222	2.2
257.18988	2.8
259.20575	13.6
261.22165	2.7
271.20715	1.4
313.25046	1.6
333.24179	7.5
335.25870	9.1
337.27353	1.6
353.28424	1.5
374.46509	1.4
519.41962	5.5
537.43042	4.2
593.45490	7.5
611.46631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01863	1.6
55.05265	1.1
55.05513	16.7
57.03435	7.4
57.07070	1.9
57.16749	0.9
59.20903	0.8
65.03933	1.6
67.05502	40.6
69.07063	15.1
71.04980	2.4
71.08649	1.3
74.29969	0.9
75.04475	0.8
79.05053	1.8
79.05491	29.1
81.07055	43.7
83.04977	1.7
83.08623	9.3
85.06525	1.1
91.05479	26.5
93.07045	32.5
95.04977	4.0
95.08605	33.8
97.06532	2.5
97.10170	3.5
98.20684	1.3
99.08079	1.5
105.07027	28.1
107.08596	18.9
109.06532	1.9
109.10159	15.6
111.08062	1.6
115.05504	0.9
117.07008	12.7
119.07790	0.9
119.08575	25.6
121.10146	15.6
123.08070	1.0
123.11729	4.0
128.06218	2.6
129.06990	8.7
130.07811	1.1
131.08566	20.0
133.10133	18.2
135.11688	12.0
137.09595	1.0
137.13272	1.1
141.07013	2.9
142.07724	1.8
143.08546	12.4
144.09369	1.2
145.10129	21.2
145.11269	1.4
147.11679	15.8
149.09613	1.1
149.13205	6.6
155.00645	0.9
155.08553	5.5
156.09352	1.2
157.10112	11.6
159.11682	16.7
161.13255	10.5
163.14832	2.6
167.08568	1.3
169.10112	7.9
170.10924	1.4
171.11674	12.1
172.26591	0.9
173.13263	12.5
175.11195	1.0
175.14830	5.0
177.16360	1.0
181.10118	2.8
182.18230	0.8
183.11751	5.7
185.13268	8.5
187.14862	6.9
189.16382	1.6
191.14133	0.9
193.10002	1.2
195.11713	2.7
197.13258	4.1
199.14819	4.9
201.16408	2.3
203.17908	1.0
209.13264	2.6
211.14871	4.3
213.16399	3.2
215.17918	1.8
219.17290	1.1
219.21162	0.9
223.14906	2.3
225.16391	2.7
229.19492	2.3
229.78508	1.0
231.21091	2.2
239.17992	2.7
241.19621	6.3
243.21129	1.0
257.19019	3.4
259.20572	15.9
261.22131	3.7
281.22308	0.9
285.22238	0.9
287.20267	1.2
287.23694	1.0
299.23831	1.0
311.23764	2.1
315.23318	1.5
317.24854	1.2
323.23660	1.1
333.24179	9.2
334.65497	0.8
335.25882	12.6
339.27026	1.4
353.28424	2.2
367.29987	1.2
433.60986	1.0
501.34933	1.2
501.41364	1.1
503.37555	0.9
519.42126	6.7
527.37598	1.1
529.38934	1.6
537.43182	4.0
541.39319	1.9
593.45532	8.5
611.46649	100.0
612.47241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34369	2.0
53.54081	2.3
55.05513	8.0
57.03434	3.9
57.07075	2.8
57.77890	2.6
63.56615	2.5
65.03930	3.4
67.05494	23.3
69.07073	10.3
70.24668	7.3
73.02917	6.2
79.05484	20.5
80.48887	2.4
81.07055	46.9
83.08620	7.7
85.02898	15.5
91.05459	23.7
93.07039	51.2
95.04983	6.3
95.08608	79.2
95.83465	2.8
97.06551	2.8
98.21473	2.7
99.81094	2.1
100.53322	2.3
101.02375	3.7
103.03947	5.0
105.07025	48.3
107.08591	74.6
109.06533	5.2
109.10158	44.7
111.08101	4.8
117.07015	10.8
119.08575	69.3
121.06504	2.4
121.10137	46.4
123.11704	12.0
128.06204	2.3
129.07022	5.4
130.07814	3.1
131.03415	2.2
131.08565	24.9
133.10135	60.9
135.11690	47.1
137.06064	4.3
137.13293	5.7
139.07610	2.7
142.07809	4.7
143.08545	14.2
145.10124	51.5
147.11693	41.2
149.13278	28.6
155.08563	3.6
156.09332	2.8
157.08873	4.1
157.10103	24.1
158.10941	2.7
159.08124	2.8
159.11693	47.7
161.13246	35.3
163.11176	3.1
163.14844	13.5
165.12738	2.4
167.08600	3.8
169.10164	10.8
171.11664	26.2
173.09589	3.4
173.13223	31.3
175.14812	17.8
177.16409	10.5
179.10815	2.6
182.10904	4.1
183.11732	9.6
185.13280	18.2
187.14787	33.3
189.12724	4.8
189.16380	47.6
193.10365	2.2
193.12277	5.5
197.13255	11.5
199.11420	2.7
199.14824	22.7
201.12881	2.7
201.16388	38.7
203.18059	3.9
205.12344	2.7
207.13808	5.5
209.13263	3.8
211.14882	12.8
213.12825	2.8
213.16412	19.3
215.17986	10.8
217.12466	2.7
219.13730	4.2
223.14821	3.7
225.16389	7.4
227.17941	10.5
229.15723	2.9
229.19502	4.0
231.13788	3.1
233.15366	9.3
237.16449	3.8
239.17928	5.1
241.15857	3.3
241.19585	5.2
243.21147	4.5
245.15358	6.8
247.16992	12.2
251.17981	4.2
253.19432	5.5
255.21086	5.5
257.15411	5.3
259.16956	62.6
265.19528	4.7
267.21109	4.7
269.22571	3.4
271.16980	10.3
273.18582	14.3
281.22754	3.1
285.18597	12.2
287.05493	4.2
287.20078	21.7
297.18573	12.4
297.21716	2.4
299.20062	27.2
301.21585	4.1
313.21622	13.5
317.03708	2.6
325.21524	3.2
327.23312	8.6
339.23309	6.0
341.24762	6.5
351.17950	2.5
357.15927	2.7
365.19717	4.3
365.24615	4.0
389.32202	7.5
393.28052	5.0
395.29645	11.1
407.33267	5.7
417.31583	3.7
423.32562	5.9
430.60355	2.8
433.30972	5.5
435.32605	100.0
436.32492	3.6
443.24045	2.8
453.33490	23.8
557.32574	3.0
565.35254	14.6
575.33484	6.8
593.34668	11.1
611.36005	38.8
611.51788	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.35297	0.7
63.53162	0.7
65.03936	0.9
67.05499	2.3
69.07064	0.9
70.06602	1.2
70.79269	2.7
79.05492	2.1
79.45991	0.7
81.07051	3.0
85.02913	1.4
86.09722	0.7
91.05476	2.3
93.07040	4.3
95.04970	1.7
95.08597	3.9
101.11330	0.9
105.07056	4.9
107.04984	2.2
107.08578	4.5
109.10163	2.9
115.05459	1.3
116.32993	0.8
116.33797	0.8
117.06992	1.2
117.48211	0.8
119.08578	6.0
121.06518	1.4
121.10161	3.0
125.09635	0.7
131.04897	0.9
131.08580	2.2
133.02878	0.9
133.06409	0.8
133.10159	4.3
135.11734	1.3
137.05977	7.4
139.75952	0.7
143.04938	1.4
143.08604	0.8
145.06544	1.0
145.10155	3.7
147.11697	2.4
149.13228	1.1
151.03934	3.8
157.10181	1.5
159.11700	3.8
161.13321	1.3
165.05472	1.5
165.12822	0.9
167.07100	3.0
169.10138	1.0
171.06619	1.1
171.11710	1.1
173.13286	2.4
175.07632	1.5
175.15033	0.8
177.05473	1.0
181.04921	8.9
183.11765	0.9
185.13341	1.1
187.14859	2.3
189.16319	3.8
197.13185	1.0
201.03444	0.9
201.16454	2.5
203.05278	1.6
203.07040	2.6
208.07372	1.3
215.17879	1.3
217.08681	1.2
225.07727	1.3
226.08316	1.3
227.05252	1.2
227.18036	1.0
232.61354	0.9
233.08148	2.0
243.04688	1.9
245.06291	5.6
247.07553	1.1
257.04434	0.8
259.17099	1.1
267.10016	0.9
278.43051	0.8
287.03601	16.8
289.05292	31.2
292.07141	0.9
299.09079	0.9
322.08688	0.8
323.09125	0.8
327.22079	3.2
337.10797	1.1
345.23947	13.9
347.25555	13.4
355.11725	2.5
363.25037	8.1
383.32794	0.7
385.12875	5.0
386.13303	0.8
387.14374	1.7
405.24927	2.0
435.32608	3.1
447.25974	1.0
473.24060	0.8
489.28357	1.1
507.29462	2.4
523.25220	3.4
525.30194	1.5
531.28937	1.6
549.30475	4.4
565.35175	1.6
567.31482	16.6
575.28119	5.8
593.29260	26.2
611.30304	100.0
612.30420	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79157	0.1
67.01848	0.2
68.99784	0.1
69.03407	0.1
70.93668	0.2
70.94038	0.3
80.01021	0.1
85.02865	0.1
89.43331	0.1
95.04965	0.1
123.07918	0.1
135.04436	0.9
137.02310	0.2
153.01814	2.4
153.99815	0.1
161.02307	0.3
171.02965	0.3
173.20584	0.1
179.03282	0.1
191.14275	0.1
205.62289	0.1
241.04959	0.3
269.04279	0.3
286.04602	0.2
287.05490	100.0
288.05811	1.4
303.05103	0.2
397.60495	0.1
424.21606	0.1
449.10809	16.0
450.11050	0.2
537.06781	0.1
611.16022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
52.90884	0.2
67.01870	0.4
68.99815	0.2
69.03412	0.6
71.58847	0.3
81.03394	0.2
85.02908	1.8
97.02872	0.4
109.02888	0.3
123.64732	0.2
127.03899	0.3
135.04411	0.7
137.02351	0.3
145.04927	0.4
151.00238	0.2
153.00563	0.2
153.01823	3.1
153.03017	0.3
161.02341	0.4
171.02885	0.5
179.03505	0.2
185.28268	0.2
224.27489	0.2
241.05037	0.4
257.04532	0.2
269.04407	0.2
287.05496	100.0
288.05814	1.6
303.04929	0.6
449.10822	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	611.1605
Annotation	Isorhamnetin 3-L-arabinopyranosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01864	0.8
57.03424	1.6
61.02915	1.0
69.03426	2.3
70.06593	0.7
71.01331	0.5
71.04983	0.5
71.44720	0.5
73.02915	4.0
74.06052	0.3
77.28901	0.3
81.03412	1.1
85.02906	7.7
86.09670	0.4
87.04518	0.4
92.02625	0.7
93.03401	0.9
97.02895	4.4
99.04430	0.4
107.04964	3.8
108.05305	1.0
109.02886	1.0
115.03927	1.3
121.02901	0.6
127.03953	2.3
133.04970	1.3
139.03902	1.0
145.04930	2.1
151.03885	0.5
153.01813	4.9
163.03883	0.4
165.01788	0.4
201.05544	0.6
218.05753	0.4
228.04172	0.8
229.04956	2.3
238.48087	0.3
245.04424	1.0
246.05212	1.9
257.04477	1.9
273.03940	1.2
274.04730	3.1
284.02954	0.4
285.03943	3.5
287.05524	6.6
302.04202	10.1
303.04977	4.2
317.06564	100.0
318.06958	1.1
329.06439	0.6
359.07651	0.6
593.15326	0.4
594.29572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51983	0.1
53.03923	0.1
55.01859	0.2
56.96546	0.3
57.03430	1.3
58.99567	0.2
61.02912	0.4
65.03913	0.1
67.05499	0.1
68.99783	0.2
69.03434	1.1
69.07074	0.1
69.47353	0.6
69.47763	0.3
70.06567	0.3
71.01337	0.4
71.04966	0.1
72.08139	0.3
73.02914	2.5
75.89064	0.1
76.02222	0.8
79.05480	0.4
81.03410	0.5
81.07033	0.2
83.04980	0.1
83.08650	0.1
84.04482	0.3
84.08131	0.2
85.02901	1.5
85.06521	0.1
85.56879	0.1
86.09679	0.1
87.04427	0.1
89.03910	0.2
89.31197	0.1
91.05460	0.6
93.07021	0.3
95.01317	0.6
95.04955	0.3
95.08601	0.4
97.02896	1.0
97.06507	0.2
98.97566	0.4
99.00802	0.1
105.07031	1.0
107.04919	0.1
107.08595	1.4
108.08915	0.1
109.02871	0.2
109.06499	0.2
109.10133	0.1
113.02367	0.1
115.03922	0.5
116.01684	0.2
116.98610	0.3
117.03380	0.2
117.07003	0.1
119.08567	0.9
120.08085	0.4
120.08878	0.1
121.10139	0.7
123.00781	2.8
123.08080	0.1
124.03954	0.2
127.03904	0.2
129.06969	0.1
129.59575	0.1
130.04965	0.2
131.03381	0.1
131.08521	0.6
132.08885	0.2
133.04927	0.2
133.10127	4.2
134.10492	0.4
134.99658	0.3
135.04419	2.5
135.08006	0.2
137.02325	0.7
137.09615	0.3
141.01822	1.5
142.03246	0.1
144.01163	0.1
145.04951	0.2
145.10098	0.2
146.99652	0.1
147.04387	0.1
147.11661	0.4
148.12000	0.2
149.09576	0.1
149.13225	0.3
151.00281	0.2
153.01984	0.1
158.10907	0.1
158.99699	0.2
159.02965	0.2
162.02220	0.4
163.03935	0.2
163.11197	0.1
169.01309	2.0
173.05974	0.1
173.13245	1.0
174.13625	0.2
175.08643	0.2
175.11142	0.1
177.00687	0.3
179.04849	0.9
180.05179	0.2
183.04395	0.2
191.14308	1.7
192.14664	0.3
193.12325	0.2
201.12430	0.1
219.01735	0.3
219.10959	0.1
222.08443	0.1
223.02687	0.1
229.04997	0.3
232.03889	0.2
233.05913	0.1
235.10838	0.4
236.11145	0.2
237.02890	0.3
239.03552	0.2
239.63387	0.1
247.06093	0.1
257.04440	0.9
261.03925	0.3
263.10184	0.2
265.07571	0.1
281.10437	0.1
283.08356	0.1
285.03931	2.1
287.05527	1.8
302.04132	0.3
303.04971	100.0
304.05264	0.5
308.09195	0.5
309.09445	0.2
323.09244	0.1
325.13220	0.2
346.13898	0.2
347.14468	0.1
408.18781	0.1
427.16635	0.1
443.15906	0.2
445.12939	0.2
449.10809	0.2
461.53070	0.1
479.08197	3.8
611.12280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.42166	1.2
53.03947	2.7
55.01863	2.7
55.05513	17.0
57.03429	3.3
57.07058	3.2
67.05163	2.0
67.05503	29.7
69.07071	13.5
70.19668	3.0
71.04974	1.3
71.61707	1.0
77.55932	1.3
79.05492	24.1
81.07054	28.4
83.04990	1.9
83.08610	7.9
91.05477	17.7
93.07039	25.3
93.41749	1.4
95.04967	3.1
95.08602	26.2
97.06527	3.8
97.10176	3.1
100.48074	1.1
105.07021	16.0
107.08603	17.4
109.06538	2.1
109.10152	10.6
115.05470	1.4
117.07010	10.5
119.08578	17.5
121.10121	9.2
123.08102	1.8
123.11716	2.8
128.06271	3.9
129.07010	10.9
130.07779	1.2
131.08575	15.4
133.10120	12.9
135.11703	4.9
137.94131	1.1
139.11246	1.3
141.06996	5.7
142.07793	2.7
143.08553	16.4
144.09349	1.3
145.10126	22.1
147.11647	7.9
149.09607	2.1
149.13269	3.3
153.06985	2.1
154.07733	1.8
155.08559	12.8
156.09390	2.6
157.10121	14.5
159.11678	13.9
161.13257	4.1
167.08607	3.9
169.10123	15.1
171.11681	13.2
173.13242	7.2
175.14827	2.0
179.08603	3.1
181.10107	6.7
182.10921	2.2
183.11667	12.5
185.13275	9.8
187.14809	5.4
193.10226	2.9
195.11722	8.6
197.13229	12.2
199.14841	5.6
201.16444	1.5
207.11781	4.2
209.13257	8.7
210.13895	1.2
211.14861	5.0
213.16423	4.5
221.13342	3.8
223.14781	6.2
225.16429	3.9
227.17921	2.6
235.14844	2.8
237.16389	5.1
239.17984	5.2
249.16388	1.7
251.18007	2.3
255.17416	1.2
257.19131	4.1
265.19473	2.5
275.20068	5.4
301.11710	1.1
327.22946	1.4
331.22818	2.2
335.26077	2.5
351.26755	2.1
365.28522	1.5
391.30212	1.8
447.32339	2.0
473.32941	1.4
499.39511	2.4
501.36053	1.2
517.40619	9.3
535.41418	6.8
573.43274	1.8
591.43909	15.2
609.45129	100.0
610.45245	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	2.1
55.01862	1.6
55.05305	1.0
55.05513	13.1
57.03428	2.5
57.07064	2.5
57.88220	1.1
62.61795	1.1
67.05171	1.5
67.05505	24.1
69.07072	10.3
69.50753	3.4
69.51171	6.6
71.04987	2.2
79.05496	16.8
80.93214	1.1
81.07058	25.1
83.04967	1.7
83.08608	6.3
83.91315	1.0
85.06539	2.1
91.05477	15.1
93.07038	16.7
95.04965	3.0
95.08609	21.1
97.10153	3.6
97.98006	1.1
99.08060	1.6
105.07025	17.0
107.08591	12.0
109.06526	1.2
109.10164	7.8
110.92060	1.1
115.05457	1.2
117.07021	10.2
119.08582	17.1
121.10120	8.3
123.11685	3.9
128.06203	2.2
129.06992	7.8
131.08560	15.1
133.10130	11.0
135.11696	5.5
137.13235	2.1
141.06993	5.0
142.07751	2.1
143.08554	13.1
144.09268	1.4
145.10135	16.0
147.11661	6.3
149.13275	2.2
153.07016	1.2
154.07787	1.8
155.08536	11.8
156.09375	1.4
157.10167	12.7
159.11690	11.3
161.13217	3.7
163.14827	2.0
167.08574	4.6
169.10123	12.9
171.11713	11.0
173.13258	6.3
175.14931	2.4
177.43803	1.4
179.08531	2.1
181.10089	8.0
182.10803	1.6
183.11710	12.3
185.13235	9.4
187.14862	3.3
193.10162	3.7
195.11636	8.0
197.13307	9.7
199.13260	1.7
199.14870	7.7
201.16347	1.9
207.11728	3.5
209.13277	7.1
211.14835	7.4
213.16437	3.0
221.13251	3.8
223.14879	5.6
225.16405	4.7
227.17967	3.6
233.13501	1.2
235.14877	3.5
237.16310	2.6
239.17955	4.5
251.18091	2.2
252.46329	1.3
257.19058	4.1
269.19055	1.3
275.20041	2.8
335.25842	1.4
349.25095	1.7
351.27090	2.5
365.28580	1.8
369.27664	1.5
391.30066	1.2
449.33807	1.4
499.39819	2.1
517.40491	15.1
535.41681	7.6
539.37030	1.4
551.06085	1.3
573.43018	3.4
585.77643	1.5
591.44098	16.2
609.45093	100.0
610.45343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.8
53.03949	3.4
55.01866	2.2
55.05509	12.3
57.03435	8.5
57.07076	1.4
65.03939	2.5
67.05506	37.1
69.07066	10.6
71.04980	1.4
71.60886	1.4
79.05494	38.6
79.05966	1.9
81.03426	1.4
81.07058	36.8
83.04981	2.5
83.08641	4.6
85.06532	3.3
91.04897	1.1
91.05482	40.3
93.07045	40.3
95.01318	2.0
95.04970	7.9
95.08612	22.6
97.06538	2.5
97.10179	2.5
99.04454	2.5
103.05447	0.9
105.04508	1.6
105.07034	29.7
107.04957	4.1
107.08593	19.1
109.06530	4.3
109.10165	9.3
111.08070	1.8
113.04629	0.9
117.07015	13.4
119.08577	23.0
121.06552	2.5
121.10133	14.1
123.08085	3.0
123.09977	0.9
123.11711	1.3
129.06998	3.4
130.07793	1.0
131.08571	15.6
133.10143	17.1
135.08014	1.7
135.11687	9.4
137.09630	2.7
140.74803	0.9
143.08572	2.7
145.10127	13.4
145.92290	1.0
147.11667	5.1
149.09656	2.5
149.13271	2.7
151.11136	1.3
153.12784	2.0
157.10129	1.8
158.20973	0.8
159.11691	8.3
161.09642	1.3
161.13269	4.0
163.11198	1.1
169.10172	1.2
171.11743	1.6
171.13220	0.9
173.13254	3.5
175.11882	0.9
175.14850	1.3
177.12718	1.3
179.14325	3.0
183.11688	1.5
185.13266	3.0
193.61617	0.9
201.16403	5.0
203.14337	3.7
209.15443	1.3
219.17444	100.0
224.57129	0.8
239.17931	1.5
242.95045	0.8
257.18982	3.8
261.22092	1.4
275.20056	34.8
293.21173	2.0
302.58502	1.0
349.23764	1.2
370.90741	0.9
465.19943	1.0
609.34448	5.7
609.45032	42.9
610.45313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05499	1.6
57.03425	0.7
59.50443	0.4
65.89922	0.4
67.05501	4.2
69.07055	1.8
70.04688	0.4
79.05486	4.0
80.14609	0.4
81.07049	3.7
83.05009	0.4
83.08611	0.8
86.57656	0.4
91.05483	3.5
93.07032	3.7
95.04943	0.7
95.08608	3.3
97.06538	0.4
97.10163	0.4
105.07020	2.9
107.08589	2.1
109.06532	0.5
109.10141	1.3
111.08112	0.4
117.07021	1.7
119.08578	2.4
121.10129	1.2
122.92922	0.4
129.07011	0.6
131.08571	2.0
133.10114	1.3
135.11711	0.6
141.00708	0.4
141.07013	0.5
143.08549	1.2
145.10107	2.9
147.11691	1.1
149.09586	0.6
149.13263	0.7
151.75854	0.4
155.08519	0.5
157.10126	0.9
159.11681	1.4
161.13307	0.6
169.10101	0.6
171.11656	0.9
173.13235	0.7
180.57216	0.4
183.11658	0.6
185.13274	0.8
187.14838	0.5
197.13393	0.6
221.10669	0.4
223.12350	0.6
224.13097	0.5
229.19553	0.5
237.16348	0.4
239.15601	0.8
239.17921	0.8
257.18991	2.1
261.22098	0.5
268.45441	0.4
275.20035	1.7
331.22620	0.5
335.25879	0.6
375.16791	0.8
376.16983	1.5
377.17673	1.3
378.18790	0.6
388.18246	0.6
389.18463	1.4
390.18729	1.7
391.19449	2.3
392.19934	1.6
393.20868	0.6
400.16812	0.5
401.17804	1.2
403.19836	0.9
404.20486	1.2
405.20963	4.3
406.21619	3.7
407.22220	4.3
408.23166	0.4
413.17651	0.9
414.18500	1.2
415.19153	3.2
416.20316	1.1
417.20978	1.2
418.22113	0.8
419.18152	1.1
419.22556	1.6
420.23099	0.8
421.23953	5.5
422.24557	1.1
427.19180	1.0
428.19995	1.2
429.20724	3.5
430.21738	1.7
431.17990	0.6
431.22925	0.6
432.19424	1.5
433.15265	0.7
433.19989	2.1
434.20700	0.5
435.21600	0.6
442.21786	0.7
443.22424	1.3
444.23038	1.6
445.20047	1.5
446.21286	0.8
447.17297	3.1
448.18750	0.7
449.23456	1.2
451.21274	0.6
452.21869	1.3
456.18948	0.5
457.24411	2.3
458.25235	0.6
459.21857	3.8
460.22498	1.5
461.19189	7.4
462.20346	2.4
463.21259	1.6
465.22815	0.8
470.21085	0.9
471.17947	0.6
472.22659	1.6
473.19058	0.7
474.19958	0.9
475.20978	9.4
476.21747	7.0
477.22507	6.2
478.23480	1.2
479.24332	0.7
485.23560	9.6
486.20288	3.2
487.19879	0.5
487.25244	1.3
488.22134	1.2
489.22888	7.3
493.21869	0.6
493.25876	0.4
494.26776	1.6
497.23737	0.7
499.21255	3.6
500.21945	2.0
502.23373	0.6
503.24423	7.2
504.21652	1.4
507.24237	0.9
513.22858	1.8
515.17047	0.6
515.24463	9.3
517.22540	1.2
521.26050	3.5
531.23920	18.6
533.25739	0.5
535.23169	1.1
541.22083	0.6
548.24127	0.6
549.24640	2.4
550.25671	4.3
559.23358	8.6
577.24237	1.2
591.25958	35.1
592.26312	1.1
609.26923	100.0
609.44885	6.4
610.27246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Diosmin 
Peak:m/z	Relative Intensity
56.14334	0.1
57.03454	0.5
62.87242	0.1
64.69855	0.1
66.26180	0.2
68.99832	0.2
69.03431	0.2
69.49563	0.4
69.49976	0.8
70.06604	0.8
71.04996	3.7
71.05354	0.2
72.08184	0.3
73.25317	0.2
74.06069	0.2
75.04475	0.2
80.14327	0.1
81.07057	0.2
84.04537	0.1
85.02906	4.6
86.09732	0.4
87.04482	0.2
91.05507	0.3
93.07050	0.2
97.02915	0.2
105.07064	0.1
107.04955	0.4
111.04456	0.1
116.07108	0.2
127.03938	0.2
129.05501	1.3
129.10251	0.2
135.97227	0.1
137.05988	0.2
145.10155	0.2
149.05997	0.3
151.03946	0.2
153.01764	0.7
171.02902	0.3
173.09756	0.1
229.05110	0.2
244.76758	0.2
247.62090	0.2
255.06456	0.2
258.05240	9.0
259.05899	0.2
270.08142	0.1
286.04715	30.7
287.05051	0.6
301.07056	100.0
302.07339	2.0
321.10910	0.1
381.97330	0.1
463.12338	17.1
464.12189	0.5
562.01477	0.1
609.17371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05511	20.8
55.68137	1.9
57.03429	5.0
57.07062	4.2
65.03935	2.6
67.05502	49.2
69.07064	24.3
71.04990	5.3
79.05492	32.5
81.06573	4.3
81.07056	85.4
83.04987	5.3
83.08623	16.1
84.17406	1.7
85.06517	4.8
87.29577	1.9
91.05482	37.2
93.07041	41.5
95.04983	3.2
95.08604	100.0
97.06533	16.3
97.10165	6.8
99.08092	10.9
102.53556	2.0
105.07036	40.9
107.08595	15.9
109.06536	2.3
109.10153	10.4
111.08080	4.2
113.09634	5.6
115.07568	2.6
117.07016	7.6
117.31109	1.8
119.08574	54.6
121.10147	19.2
123.08078	7.4
129.06978	3.2
131.08549	6.0
133.10127	36.0
135.11681	26.6
137.09618	4.9
137.13237	11.6
143.08589	3.9
145.10118	8.0
147.11658	4.8
157.10178	3.4
159.11678	4.2
161.13260	89.2
163.11157	4.0
171.11752	3.8
179.14310	79.8
181.10016	2.6
185.13205	3.7
187.14792	1.9
192.52940	2.0
197.13617	2.6
197.15294	11.5
273.18503	3.5
276.92007	1.9
278.98468	2.3
303.27258	2.1
339.26822	4.9
357.27872	18.8
375.28958	22.7
381.29581	2.3
532.19312	2.0
607.43500	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	607.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81870	2.3
53.03943	6.8
55.01869	13.8
55.05262	4.4
55.05510	59.7
57.03408	3.4
57.07068	15.7
65.03942	3.8
67.05171	6.1
67.05505	79.6
69.03420	8.7
69.07068	44.9
71.04972	8.4
71.08629	42.7
71.11252	4.9
71.11584	3.8
74.31458	3.0
79.05494	63.5
81.03434	6.3
81.07056	100.0
83.04976	16.9
83.08625	37.8
85.06520	6.9
85.10168	21.7
91.05479	51.3
91.09797	2.9
93.07043	68.8
95.04974	18.7
95.08607	71.6
97.06508	8.8
97.10174	37.3
99.08098	24.3
105.07023	50.5
106.30909	3.4
107.08598	43.2
109.06516	11.6
109.10154	32.5
111.08080	9.7
113.09669	15.5
115.05430	3.7
117.07015	19.3
119.08582	46.7
119.67371	2.6
121.06524	5.5
121.10146	31.3
123.08044	6.4
123.11704	10.1
125.09604	27.5
127.11195	4.0
129.07004	12.8
131.08562	32.9
133.10129	32.7
135.08049	8.3
135.11691	19.4
137.09592	4.5
137.13257	5.7
139.11163	7.3
141.07024	3.5
141.09140	3.1
143.08551	11.3
145.10117	27.2
147.08000	4.3
147.11667	17.3
149.09637	5.6
149.13254	13.6
151.11192	16.2
153.12691	3.6
155.08514	4.3
155.10577	4.2
157.10139	9.1
159.11725	16.8
160.60442	3.2
161.09552	4.0
161.13260	12.9
163.11148	7.6
163.14764	4.2
165.12747	10.2
167.10704	3.3
169.10103	5.2
171.11690	8.2
173.11809	6.3
173.13269	9.9
175.11165	6.1
175.14801	6.0
177.12729	15.3
179.14316	9.1
183.11722	5.0
185.13269	10.0
187.14792	7.3
189.11238	17.9
193.12204	3.8
195.13792	6.4
197.13174	6.7
199.14897	7.7
201.12781	3.5
201.16379	6.8
203.12572	3.3
203.14333	3.6
205.15959	3.4
208.49248	2.7
211.14833	5.0
215.18022	4.3
217.15916	3.2
221.15312	5.3
241.19525	4.9
257.18811	4.1
259.20554	5.6
263.19916	3.5
273.22186	3.3
275.20203	6.5
275.23328	3.4
277.18808	4.1
277.21625	54.6
279.23148	10.1
287.23657	3.3
289.21445	4.9
291.23132	6.8
293.21085	18.2
295.22717	28.2
301.25095	3.3
303.23111	4.7
305.24738	5.6
307.22644	4.0
315.23126	5.4
317.24738	5.9
321.24182	3.9
329.24753	7.2
341.24762	3.9
343.26334	3.9
345.24060	4.0
385.30975	5.8
399.32721	4.4
403.31900	8.8
417.33768	10.4
419.33255	4.0
423.32556	8.8
423.59494	3.0
427.31808	5.6
429.33221	4.8
437.34036	3.8
439.32266	3.1
441.33713	16.2
445.33142	10.9
447.34698	4.5
453.33099	6.1
455.35013	8.3
457.33151	10.4
459.34705	18.8
463.34106	31.3
471.34500	7.0
473.36194	7.2
475.34052	20.8
477.35696	9.8
489.35757	10.3
517.40717	4.6
535.41296	8.6
553.42450	27.0
571.43561	35.0
589.44928	30.0
607.45349	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	607.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.1
57.07067	4.8
67.05509	37.6
69.07065	24.1
71.30493	7.0
73.75998	3.8
79.05481	27.2
81.07053	100.0
81.07516	7.5
83.04975	6.5
83.08614	7.2
85.06522	5.0
91.05473	32.8
93.07043	28.0
95.08035	8.1
95.08612	96.1
97.06542	10.1
97.10165	5.9
99.08110	7.0
105.07024	33.8
107.08578	13.8
109.10157	8.9
111.08064	4.9
113.09613	6.3
119.08585	53.4
121.10154	14.6
129.07123	5.1
131.08591	6.3
133.10138	35.6
135.11693	16.0
137.13280	14.3
145.10175	5.8
161.13239	82.7
179.14317	58.0
197.15410	13.5
202.70599	5.5
215.58632	3.6
242.57574	4.8
357.28064	14.2
375.29041	14.7
508.68988	5.1
607.42560	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	607.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62353	0.7
58.99892	1.1
67.05509	2.2
69.07050	1.1
71.60595	1.4
77.00899	5.0
79.05482	1.8
81.03429	0.9
81.07059	2.6
91.05474	1.9
93.07047	1.2
95.01951	2.6
95.08615	2.1
100.02489	0.9
105.07048	1.7
117.06990	1.0
133.10124	1.3
134.91890	0.8
145.10188	1.0
158.66150	0.7
159.11642	1.0
166.67984	0.8
173.06606	1.2
175.27975	0.7
180.13315	0.7
181.07085	0.8
187.08170	2.3
196.62877	0.7
201.09753	2.6
205.09229	0.8
207.05057	2.3
213.09776	1.7
215.09398	1.1
215.11334	2.0
219.10777	2.2
221.06732	1.8
223.11855	1.9
225.06218	1.6
227.11301	1.3
229.12968	1.5
235.11948	0.9
237.13371	2.0
239.11487	1.0
241.12807	1.6
253.12971	0.9
255.14476	3.5
264.12173	1.6
265.12958	1.8
273.17258	1.1
277.13400	0.8
281.12488	1.6
282.13263	1.7
283.13950	2.0
287.64447	1.0
289.16650	2.7
291.17941	7.2
309.19061	7.4
313.16794	1.1
315.17966	10.2
332.20828	1.0
333.19092	100.0
334.19394	2.2
351.20132	10.8
356.20682	14.1
358.16318	1.8
607.38440	94.0
608.38580	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	607.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.9
67.05505	13.0
68.38802	4.4
69.03436	12.3
69.07056	8.5
70.06578	16.3
70.78667	14.9
71.04980	7.2
72.08157	7.5
79.05483	9.3
81.03426	9.6
81.07066	33.2
83.04993	9.7
83.08601	6.5
84.08157	6.1
85.02901	15.6
85.06552	5.6
86.09701	10.3
91.05493	9.8
93.07044	11.9
95.04961	9.7
95.08633	28.0
97.02883	8.2
97.06541	6.3
105.07037	8.9
107.04954	7.1
107.08574	11.1
109.02917	5.9
109.06487	7.6
109.10162	62.9
116.66777	5.0
119.08586	26.7
121.10158	13.1
123.08086	7.6
127.03936	12.1
131.08557	8.1
133.10121	19.3
135.11717	60.4
136.07498	5.2
137.05968	6.2
137.09619	11.9
145.05064	4.9
151.11194	8.0
151.14879	7.1
159.08090	5.5
163.03923	6.1
171.11729	7.2
175.14815	31.5
179.08493	5.9
187.14798	5.0
191.14433	5.7
193.15875	49.6
211.16937	100.0
220.71327	4.8
225.99451	5.4
244.15413	6.5
308.06378	4.8
320.48007	5.1
364.35245	6.1
523.08716	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	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.49133	0.1
54.92494	0.1
56.85092	0.1
67.05443	0.2
71.08580	0.2
71.47894	0.2
77.56026	0.1
89.03711	0.1
102.17034	0.1
106.06512	0.2
195.09135	0.2
207.09137	0.2
209.10617	0.3
223.12106	0.2
223.84241	0.1
235.12202	0.3
236.12926	0.2
271.34186	0.1
325.15494	0.2
326.16470	0.2
372.16098	0.1
374.15594	0.2
375.16238	0.3
376.17642	0.2
380.69531	0.2
387.16125	0.6
388.16666	0.7
389.17609	1.6
390.18622	0.5
391.19272	0.4
400.17590	0.2
401.17618	0.7
402.18427	1.4
403.19263	3.8
404.19946	1.2
405.20776	2.2
406.21216	0.2
413.17725	0.2
414.18863	0.2
415.19522	1.2
416.15491	0.3
416.20575	1.1
417.16669	1.1
417.21286	5.2
418.16385	0.2
418.21918	2.4
419.22296	4.4
420.23172	0.3
429.16370	0.4
429.20874	0.6
429.25812	0.2
430.16858	1.5
430.22232	0.5
431.18073	9.2
432.18448	2.2
432.23859	0.7
433.24066	8.4
434.24765	1.2
443.18140	0.3
444.18356	1.0
445.19824	11.4
446.20844	5.5
446.26410	0.2
447.21701	5.1
448.18637	0.2
449.23288	0.2
457.20142	0.4
458.21021	0.6
459.21396	5.2
460.22491	13.3
461.23303	11.7
462.19827	0.2
463.21439	0.3
472.22845	0.2
473.23636	3.4
474.24384	1.3
475.21042	0.2
476.22458	0.4
477.22827	0.7
487.25339	1.7
488.25766	0.5
489.22806	0.6
491.20828	0.7
491.24701	0.6
492.25385	0.8
503.20569	0.3
504.25595	0.2
505.21609	3.1
506.26682	0.5
515.24548	0.6
517.22430	0.3
518.23114	0.5
519.24426	1.5
519.27075	1.8
520.24030	0.3
531.24261	0.2
532.24622	0.9
533.25531	0.7
535.23553	0.2
546.22473	0.3
547.27026	29.3
548.27417	1.1
575.26483	1.2
577.24249	0.2
578.25214	0.5
579.29761	0.8
592.26862	0.2
607.29095	100.0
608.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85548	0.8
57.26525	1.1
58.60378	0.9
58.81222	0.9
71.60502	1.3
71.76138	0.9
81.80917	0.8
94.22623	0.8
102.63808	1.2
108.29903	0.8
172.00951	0.9
199.21614	0.9
272.58484	0.8
325.65796	1.0
389.17990	1.0
403.19135	3.5
404.19730	1.1
417.21313	4.6
418.21289	1.7
419.22208	3.2
431.18033	6.6
433.24017	8.9
444.19073	1.0
445.19754	9.3
446.20743	4.8
447.21841	2.7
459.21619	6.3
460.22482	11.8
461.17316	0.7
461.23325	13.9
473.23312	2.6
474.24213	1.4
505.22180	2.8
519.27960	1.9
530.02826	1.2
532.24237	1.4
547.27051	40.8
575.26343	1.5
607.29095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.39196	0.3
67.05495	0.7
70.31714	0.4
70.32054	1.5
78.22248	0.3
79.05479	0.4
81.07077	0.7
90.55058	0.3
94.88195	0.4
95.08585	0.4
105.06982	0.5
109.10207	0.4
135.11716	0.4
141.55609	0.4
215.58545	0.3
251.91682	0.3
373.14774	0.4
375.16159	1.1
385.80643	0.4
387.16113	0.8
388.16797	0.8
389.17749	2.5
390.18561	1.3
391.19199	1.0
401.17477	0.5
402.14172	0.5
402.18854	0.7
403.14694	0.7
403.16327	0.7
403.19696	3.3
404.19962	1.6
405.20941	2.8
406.21243	0.4
416.16171	1.1
417.16125	3.8
417.21048	2.5
418.17111	0.6
418.21631	1.2
419.22534	5.4
420.23093	1.0
430.17786	0.5
431.18362	8.1
432.19180	3.2
433.19901	3.1
435.21698	0.5
445.20273	4.8
446.20996	8.3
447.21667	9.1
459.17355	0.8
459.22229	1.3
460.18658	0.8
461.19550	2.1
462.24631	0.7
463.25125	1.1
473.18948	0.7
473.24008	0.9
474.20468	5.1
475.21008	4.3
477.23364	0.6
478.23468	1.1
487.21280	1.3
488.21716	0.5
491.20285	3.6
501.23038	1.4
503.22504	0.4
505.22354	1.4
519.24097	15.1
520.24280	1.1
547.23395	12.7
548.23639	0.4
551.26715	0.5
561.24487	0.4
579.25970	5.5
606.42584	0.4
607.25513	100.0
608.25708	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2154
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
52.94617	0.3
55.06410	0.3
56.96572	0.4
70.06584	0.6
71.37379	0.5
71.37730	0.8
81.07058	0.6
85.02925	0.5
91.05457	0.5
93.07031	0.6
95.04975	0.4
107.04956	0.6
107.08556	0.5
109.06523	0.5
117.07013	0.5
125.05973	0.4
137.06032	0.9
147.08272	0.4
177.05411	0.5
177.23337	0.5
266.42584	0.4
277.08835	0.5
353.14035	0.4
395.11038	2.5
410.13348	7.7
423.13638	0.5
429.55261	0.4
607.21497	100.0
608.22015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.166
Annotation	CHEBI:68877
Peak:m/z	Relative Intensity
53.03954	0.2
57.03443	0.9
61.02935	0.3
68.99796	0.3
69.03432	14.4
70.06597	0.3
70.30964	0.5
70.31349	0.4
71.04984	0.8
73.02895	0.2
85.02422	0.3
85.02905	4.3
87.04475	0.3
89.43655	0.2
91.39987	0.2
95.04985	0.2
96.58103	0.2
97.02895	12.0
98.21374	0.2
103.54333	0.1
107.04940	0.4
111.00798	0.7
111.04404	0.2
115.03927	7.7
121.02866	2.0
129.05510	0.4
133.02869	0.4
137.02330	0.6
145.06430	0.2
147.04391	0.5
153.01842	2.8
157.04956	0.6
157.06514	0.3
165.01855	1.4
175.06035	3.4
183.02937	0.8
185.06000	0.3
190.00700	0.2
213.05446	1.0
231.06517	0.6
241.04964	0.8
242.12999	0.2
258.05261	1.1
259.06024	0.4
286.04715	1.3
287.05502	100.0
288.05847	0.5
292.26938	0.2
299.05548	0.4
301.07101	3.6
357.06854	0.2
365.06610	0.4
433.11276	4.2
461.10898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1657
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
55.01625	0.5
55.01873	6.1
57.03425	1.1
61.02924	0.6
68.99787	0.4
69.03432	3.7
70.06577	0.4
70.42954	1.0
71.01350	0.8
71.04990	0.4
85.02898	2.7
87.04464	0.5
88.23368	0.3
88.81384	0.3
94.75757	0.3
97.02894	4.1
107.04958	0.4
111.00822	0.7
115.03925	9.0
121.02893	1.7
121.03584	0.3
127.03931	0.6
131.26054	0.3
137.02327	0.7
145.06503	0.3
147.04401	0.5
153.01837	2.2
165.01845	1.2
175.06017	3.2
183.02873	0.8
185.05893	0.4
197.05997	0.3
213.05470	1.0
231.06552	0.7
241.04968	0.7
258.05258	0.8
259.05811	0.3
286.04788	0.6
287.05493	100.0
288.05884	1.0
301.07150	1.8
337.06622	0.3
433.11368	5.7
570.21527	0.3
607.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64463	0.3
59.04606	0.2
67.05519	0.2
68.03905	0.2
69.03430	0.3
70.06608	0.4
70.33179	1.0
72.08134	0.3
79.05498	0.3
80.19802	0.3
81.03429	0.3
81.07068	0.3
83.08626	0.2
84.08157	0.4
86.09705	0.3
87.04481	0.3
91.05479	0.4
93.07039	0.3
95.08590	0.5
97.02940	0.3
119.04965	0.4
120.08074	0.2
146.37665	0.2
147.04427	1.1
182.15492	0.4
210.15099	0.3
410.13300	0.3
411.13803	0.7
460.22202	1.0
559.39264	0.3
606.25806	100.0
607.26642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64798	3.3
53.03940	5.0
55.05507	6.2
67.05495	13.9
69.03431	13.1
69.07068	5.5
69.43588	26.8
70.06577	9.8
71.04994	4.9
76.29470	3.1
79.05494	15.3
81.03414	4.7
81.07067	27.3
83.04958	3.7
84.04517	4.0
85.02883	4.4
86.09715	7.2
91.05480	29.8
93.07045	21.8
95.04971	11.1
95.08606	10.2
97.06516	2.7
100.25574	2.7
105.07031	47.9
107.04951	5.3
107.08581	14.9
109.06499	8.9
115.05438	8.0
117.07031	18.2
119.04935	3.0
119.08578	29.4
121.06531	6.9
121.10114	9.1
123.08079	4.2
128.06252	11.0
129.07005	21.0
130.07768	6.4
131.04922	4.0
131.08575	34.6
132.77113	3.0
133.06526	7.2
133.10139	12.7
135.08043	7.8
137.06009	6.3
141.07004	9.0
142.07811	13.7
143.08568	33.8
145.06485	4.7
145.10127	100.0
146.10536	5.0
147.08067	7.3
147.11728	19.8
149.05930	3.2
153.06892	4.8
154.07802	3.9
155.08597	19.0
156.09346	11.0
157.06448	3.5
157.10136	28.1
158.07291	4.6
159.08064	32.4
159.11699	14.9
160.08862	2.9
161.09607	11.1
165.07025	6.0
166.07762	10.6
167.08566	7.1
168.09392	4.9
169.10139	21.6
170.10783	4.5
171.08047	13.3
171.11682	34.8
172.03918	3.8
172.08812	4.8
173.09628	24.2
173.13261	6.9
174.10426	46.3
175.07640	4.5
175.11195	47.8
177.12724	7.4
179.08647	5.3
181.10147	16.2
182.10889	4.5
183.08070	6.2
183.11728	15.9
184.08923	4.0
185.09598	11.6
185.13248	7.0
187.07617	4.0
187.11188	9.7
191.10640	7.8
193.10095	6.8
194.10789	4.1
195.08052	4.6
195.11697	12.6
197.09621	11.3
197.13275	12.6
199.11201	47.6
200.11671	4.7
201.09099	3.9
201.12741	12.5
205.10165	3.7
207.11705	11.6
209.09641	11.2
209.13280	8.8
211.11217	8.3
211.14853	5.1
212.07883	3.0
213.12842	5.1
215.10597	7.9
217.10219	6.4
217.12256	69.2
219.11607	4.6
221.13336	8.8
223.11177	10.4
223.14781	4.2
225.09204	3.6
225.12714	17.8
227.10654	17.0
227.14380	6.9
229.12302	5.2
235.11079	3.5
237.12837	5.7
239.14191	5.7
243.10023	6.3
243.13806	7.1
245.11563	24.6
249.12778	4.1
251.10614	5.4
251.14258	3.3
253.12228	8.9
255.10207	3.2
259.14789	4.5
261.12781	3.1
261.16434	4.6
263.12918	11.4
267.17618	3.6
269.11612	18.5
271.13278	11.7
277.15854	4.1
283.14426	3.6
297.11371	3.4
305.18683	3.8
315.12244	11.0
317.18832	3.6
329.18924	3.5
343.08548	22.9
345.22028	5.5
349.17950	3.6
353.17410	4.3
369.22110	5.4
371.23633	14.6
373.21741	5.3
387.23166	10.2
389.24847	21.4
391.22491	5.7
397.21527	12.5
399.23438	8.8
415.22711	30.1
417.24161	22.4
418.12701	3.0
425.21219	4.1
433.23776	23.8
435.25287	52.1
443.22205	20.6
445.23462	6.8
461.23245	43.0
463.24893	30.5
471.21637	3.9
477.22519	4.9
479.24252	92.0
481.25916	87.4
489.22650	12.6
507.23853	52.5
525.24963	4.3
603.88879	3.3
605.20758	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	605.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01859	0.4
56.14449	0.3
57.03436	0.5
61.02924	0.5
65.03944	0.4
67.05493	0.5
68.99788	0.4
69.03423	2.9
70.06606	1.7
71.04982	0.5
71.59328	0.6
72.08145	0.3
73.02886	0.5
73.07108	0.3
79.05486	0.7
79.54470	0.3
81.03420	4.4
81.07030	0.4
82.06591	0.3
83.04945	0.3
84.08126	0.4
85.02901	3.0
86.09702	1.2
87.00825	2.6
87.04474	0.7
89.03913	1.2
91.05477	0.7
93.07027	1.0
94.06564	1.0
95.04947	0.7
95.07362	0.6
96.08118	1.1
97.02895	4.4
98.75430	0.3
99.04433	1.5
103.05482	0.6
105.01871	2.4
108.08126	1.8
109.02881	9.0
110.09683	2.2
116.04979	4.5
117.05533	0.3
120.08102	2.6
121.06509	0.7
122.06021	6.2
122.09650	0.4
124.07630	0.5
126.52417	0.3
127.03912	6.6
129.01801	0.4
132.08081	0.4
134.05981	0.8
136.07576	7.1
137.02303	0.6
137.06018	0.5
138.09145	3.9
143.60703	0.3
144.04436	10.7
145.05029	0.8
146.04869	0.4
146.06000	2.8
148.07579	1.7
150.09164	0.7
159.02924	0.5
160.03920	0.5
162.05490	5.3
163.07561	0.5
166.08652	11.2
172.03932	50.9
173.04231	0.8
173.50519	0.4
174.05513	1.0
177.12791	1.8
178.08600	0.8
178.13068	0.5
189.04053	0.4
190.04994	5.8
204.06561	100.0
205.06886	0.9
206.12703	0.3
213.03970	0.6
222.07571	2.8
251.11812	0.7
279.11188	0.5
287.05600	0.3
297.12421	0.5
299.14175	0.4
307.10678	0.4
311.13895	0.8
325.11884	1.8
329.14993	2.0
339.13443	5.1
343.12720	1.7
346.69943	0.3
357.14423	15.3
371.16025	0.5
420.09201	0.7
527.16663	0.4
573.17102	0.7
605.20801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64986	0.9
53.03971	1.1
55.01891	1.3
55.05509	3.0
57.03423	1.1
60.04502	1.0
61.02933	1.2
66.52626	1.0
67.05499	1.3
69.03419	3.7
69.30216	10.9
70.06588	2.7
79.05493	3.0
80.85371	1.0
81.03367	1.6
81.07049	5.7
85.02916	12.7
86.09715	1.8
87.04469	1.8
91.05479	7.7
93.07029	3.2
93.64280	1.1
95.04972	1.3
95.08606	1.5
96.74405	0.9
97.02895	3.7
103.05520	1.5
104.95456	1.0
105.07031	13.4
107.04917	1.5
109.02894	1.4
109.06516	1.1
115.05449	3.0
117.07034	8.2
119.04964	1.7
119.08562	4.1
121.06498	2.3
127.03898	4.4
128.06224	4.6
129.07001	15.1
130.25392	1.3
131.08572	13.6
133.06525	1.4
137.05943	1.9
141.06963	1.4
142.07785	3.7
143.08554	45.0
145.04955	3.1
145.06569	1.4
145.10121	17.6
147.07994	1.4
155.08510	1.9
156.09346	10.6
157.06505	2.0
157.10123	3.9
161.05992	5.1
161.09569	2.0
163.07521	2.1
165.07040	2.0
166.07802	4.1
169.02913	1.1
169.10149	2.4
171.11682	100.0
173.13277	4.7
175.07552	1.3
177.12752	6.7
181.10133	12.8
189.12714	1.9
199.11174	47.8
202.66333	1.2
207.10199	3.7
217.12230	95.0
227.10651	8.5
232.09436	1.1
245.11717	33.2
263.12802	8.6
263.16370	3.3
410.15707	1.3
633.91132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60123	3.4
53.03954	6.2
55.01863	17.6
55.05266	3.8
55.05508	52.7
57.03426	4.5
59.63648	4.1
61.70794	3.6
65.03931	6.0
67.05503	71.3
69.03423	8.6
69.07067	53.5
71.04987	7.0
71.60088	5.4
79.05490	56.0
81.03400	6.4
81.07051	89.5
83.04973	10.6
83.08620	39.5
83.51679	3.8
84.70229	3.3
85.02874	4.0
85.06544	4.6
87.04470	5.1
91.05484	55.3
93.07043	70.4
95.04949	20.8
95.08039	5.9
95.08599	62.4
97.02848	4.7
97.06529	19.2
97.10165	22.4
99.08102	6.3
105.07030	59.8
107.04964	12.1
107.08600	41.3
108.78807	3.3
109.06490	15.1
109.10159	31.3
111.08069	9.0
117.07020	22.0
119.08568	49.7
121.06523	9.7
121.10139	26.4
123.08048	12.7
123.11688	9.1
125.09614	16.8
128.06169	5.1
129.07022	16.7
131.08551	37.6
133.06490	6.0
133.10123	45.1
135.08057	15.6
135.11703	16.9
137.09584	8.3
141.06975	6.6
142.07710	4.0
143.08545	22.8
145.06479	7.0
145.10089	29.6
145.69339	3.6
147.04372	8.3
147.08026	9.3
147.11716	21.8
149.09566	16.6
149.13242	8.3
151.11163	7.2
153.09154	4.1
155.08524	8.3
157.10124	13.5
159.11685	20.6
161.09654	9.5
161.13222	8.6
163.11189	11.9
163.14871	5.4
165.12865	5.1
169.10112	14.9
171.08014	4.0
171.11667	15.9
173.13258	11.9
175.11139	4.0
175.14842	7.4
177.12732	7.1
181.10146	4.7
183.11671	11.0
185.13245	6.6
187.11186	5.7
187.14815	8.2
189.11079	6.9
189.12779	5.3
195.11700	4.0
195.13860	4.2
197.13171	7.3
199.14774	4.1
201.12703	6.6
209.15388	3.2
211.14908	4.2
215.14349	7.0
221.78322	3.6
235.16835	6.9
237.02870	3.9
239.17874	9.8
243.17577	3.7
247.20636	5.3
249.16431	3.9
249.18666	3.9
257.18958	11.3
263.20117	3.6
271.20285	3.3
275.20050	100.0
277.21729	9.0
287.11893	4.5
291.19525	11.7
293.21194	20.6
301.21811	3.5
313.21469	3.6
367.17981	6.0
393.08841	3.9
395.29349	4.7
397.31195	4.7
408.11792	20.6
409.11948	6.6
413.30411	3.9
435.22955	3.5
443.31345	4.5
455.31619	7.5
457.32935	6.9
461.32416	12.4
473.32932	4.6
475.33768	5.8
487.34433	3.9
549.39240	7.8
567.40570	15.9
585.41602	20.7
603.18256	49.5
603.26648	5.3
603.34149	4.8
603.42432	9.6
604.18250	9.4
618.76215	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	603.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.05515	5.4
56.96559	3.6
67.05495	11.9
69.03426	11.2
69.07067	7.4
70.06594	6.5
71.44568	2.6
71.60188	2.8
79.05495	14.9
81.07061	35.4
83.04988	3.0
85.02901	6.5
86.06082	9.7
86.09726	4.1
91.05484	26.8
93.07049	17.8
95.04970	6.0
95.08604	7.1
96.08105	3.7
97.02886	2.5
97.06530	4.8
103.49965	2.4
105.07027	38.8
106.02512	2.5
107.04999	2.9
107.08589	11.8
109.06508	7.1
111.08136	2.5
115.05434	6.4
116.10728	4.2
117.07011	24.0
119.08558	17.1
121.06518	3.0
121.10155	5.6
127.03925	4.5
128.06244	11.1
129.06984	15.0
130.07785	6.2
131.08551	24.9
133.10135	8.7
135.08078	3.5
135.11653	3.3
137.06023	3.5
141.06996	5.8
142.07736	6.0
142.08693	4.3
143.08553	42.8
145.06482	7.3
145.10126	100.0
147.08018	3.7
147.11702	11.4
153.07013	3.3
154.07706	4.1
155.08525	12.0
156.09360	9.1
157.06517	4.3
157.10129	18.5
158.07288	4.0
159.08089	4.4
159.11697	7.2
161.05971	3.9
161.09631	4.6
163.11220	3.2
165.07022	5.3
165.09140	2.7
166.07713	3.5
167.08533	9.6
168.09476	3.4
169.10098	20.6
171.08043	7.3
171.11697	34.4
172.08849	6.0
173.09592	24.5
173.13295	5.4
175.07550	3.7
175.11162	3.5
179.08540	6.0
181.10150	10.3
182.07346	3.6
183.08040	4.4
183.11722	8.0
184.08813	4.1
185.09567	4.7
185.13286	4.9
187.11269	5.0
191.10550	5.2
193.10181	5.8
195.08025	2.8
195.11678	7.1
197.09613	16.1
197.13281	5.1
199.11176	22.6
201.09134	4.4
207.11713	7.5
208.08879	3.1
209.09599	7.1
210.18535	10.6
211.11176	6.5
211.18845	4.6
212.16440	47.8
213.16806	12.9
215.10643	15.0
217.10263	3.4
217.12244	26.8
219.11743	3.5
221.13348	7.4
223.11240	4.4
225.09174	6.0
225.12704	4.1
227.10660	5.6
229.12282	3.0
233.13245	3.6
235.11203	3.1
236.16454	7.2
237.16522	3.2
239.10808	3.7
240.46573	3.1
243.10132	62.9
245.11768	8.0
247.11166	4.9
247.15094	4.0
249.12648	5.1
249.16502	3.3
253.12349	3.3
254.17511	3.8
261.11151	18.3
269.11731	3.3
272.18579	48.9
273.18854	16.0
277.15869	8.2
287.12695	5.9
289.15884	3.8
315.12332	11.5
321.14880	6.9
327.17395	3.5
329.15475	3.2
341.06821	7.2
347.16260	3.0
385.21448	6.1
387.23489	3.2
395.19922	5.2
403.22815	3.1
413.21143	16.7
415.22635	5.5
431.22348	24.5
433.23709	24.5
434.23889	4.4
434.33374	3.2
440.30014	11.5
441.20526	10.1
441.30313	10.1
443.22238	3.1
449.23318	6.1
459.21710	38.4
461.23236	13.8
477.22736	50.8
479.24298	36.3
487.21329	12.6
505.22134	31.2
511.18045	3.6
523.23022	13.7
526.29907	2.9
557.18378	11.9
585.30292	3.0
602.34644	9.4
602.42828	6.9
603.18860	3.3
603.36188	14.1
603.43719	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	603.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32162	1.5
53.03951	1.5
55.05508	2.0
63.40316	1.6
65.03934	2.2
67.05493	5.6
69.03427	5.9
70.06586	10.5
71.59895	2.2
72.08176	2.4
72.64289	1.7
73.02798	1.8
79.05495	8.5
81.03431	3.1
81.07047	12.0
82.02652	1.6
83.04984	2.1
83.08576	1.8
84.04480	3.3
84.08127	2.8
84.96014	2.3
85.02901	3.8
86.06102	2.0
86.09695	5.6
87.19952	1.6
91.05478	15.7
93.07038	7.6
95.04968	4.2
95.08608	4.9
105.07030	23.0
107.04951	22.0
107.08588	9.9
109.02876	2.3
109.06540	3.1
109.10178	1.9
115.05450	3.9
117.07011	8.7
119.08598	7.6
120.08089	2.0
121.06515	5.1
121.10141	1.8
124.59855	1.9
125.05946	1.9
128.06226	4.9
129.06999	4.6
130.07751	2.6
131.08580	9.7
133.10117	3.1
137.06017	3.2
141.06950	4.1
142.07780	3.0
143.08557	14.6
143.53191	2.0
145.06506	1.9
145.10114	35.0
147.04401	1.7
147.07948	3.9
147.11671	6.6
149.05930	2.7
153.05510	3.0
155.08524	8.4
156.09303	3.5
157.10156	7.7
159.08084	2.1
159.11728	5.5
161.09578	3.1
163.07600	3.0
165.07031	4.3
167.08615	2.2
169.10126	12.3
171.07982	3.9
171.11679	15.6
172.08769	2.7
173.05861	2.2
173.09657	7.4
173.13197	3.1
175.07602	3.5
179.08522	4.3
181.04938	14.3
181.10094	4.2
182.50012	1.7
183.08105	1.9
183.11775	2.9
185.09595	2.3
185.13326	2.1
186.10448	2.0
187.07507	3.8
187.11198	3.6
193.10147	4.6
195.11679	5.0
197.09586	6.2
197.13254	3.0
198.10471	2.3
199.07530	3.2
199.11142	8.4
207.11731	2.4
209.07855	2.4
209.09660	4.0
209.13329	1.9
211.11157	3.3
212.16451	2.5
213.09114	2.7
215.07234	2.3
215.10686	6.5
217.12195	11.4
219.11613	2.4
223.11191	3.2
225.09169	3.6
225.12665	3.8
227.10576	3.1
231.11876	1.9
233.13290	2.7
237.12747	1.8
239.10599	2.8
241.12251	2.6
243.10104	31.6
245.11609	9.0
249.09227	2.8
251.02116	3.1
251.10782	2.5
259.14764	2.4
261.11176	3.0
263.14435	3.4
267.10309	5.9
269.11569	9.3
271.14706	2.4
272.18515	2.1
273.16379	2.5
275.14090	2.7
283.14978	2.7
295.14917	2.5
299.17902	2.9
309.16345	2.2
311.18045	3.1
313.10681	2.3
317.15338	2.1
325.19336	2.3
329.15344	3.9
336.58704	2.1
341.06955	5.7
343.20563	2.1
357.14761	4.2
357.22189	2.4
359.15012	2.9
367.20569	3.6
375.15796	3.7
385.21783	9.0
392.09259	11.6
395.19824	8.4
403.06989	1.9
403.22745	3.6
413.21143	48.7
414.21768	2.2
415.22635	5.1
431.22177	28.4
441.20624	10.8
459.21634	100.0
460.21985	2.4
477.22739	29.6
487.21411	2.2
505.22098	9.0
511.17813	9.8
523.23254	4.0
529.18805	3.7
557.18378	64.1
592.31415	2.6
603.18744	13.2
603.29700	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	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01870	9.4
55.05519	2.8
55.66056	1.7
57.03425	6.2
60.04491	2.0
61.02917	5.9
62.38811	1.6
67.05492	5.2
68.99799	3.3
69.01547	1.7
69.03423	33.2
69.07043	1.9
69.54456	11.6
69.54864	3.4
70.06525	1.6
71.04998	5.1
73.00191	2.0
73.02907	9.3
79.05478	6.1
80.99173	1.7
81.03414	33.5
81.07037	10.8
83.05044	2.0
83.75761	1.8
85.02898	100.0
86.06071	6.7
87.00826	41.0
91.03984	1.7
91.05475	4.0
91.98437	1.8
93.07050	6.6
95.04979	2.3
95.08591	9.5
96.76458	2.2
97.02884	36.3
97.10156	2.9
99.04452	14.8
105.01173	3.6
105.01867	59.5
105.07023	8.1
107.08610	6.1
108.04471	4.1
109.02863	38.4
109.10155	9.0
117.01880	2.4
117.06997	2.5
119.08582	7.3
121.10145	6.3
123.11655	2.2
124.47675	1.9
126.05512	2.3
127.03912	75.2
129.01791	4.1
129.06995	2.4
131.08557	7.6
133.10146	5.4
135.11702	6.7
143.08562	2.7
145.04939	38.3
145.10117	5.3
147.02936	4.2
147.11681	6.6
149.13225	3.1
159.02902	21.4
159.11667	7.2
161.13327	2.3
165.12781	2.0
173.13228	9.7
177.12692	1.9
179.10559	2.1
183.11536	2.1
185.13327	3.8
191.14253	3.6
199.14864	3.2
213.03970	8.0
231.04980	23.1
249.06024	6.1
255.21060	34.9
273.22122	39.4
281.25217	1.9
283.20718	5.3
301.21677	24.8
319.22650	15.1
549.27136	10.0
582.99561	2.2
602.26990	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	602.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
55.05505	2.8
57.07067	0.9
58.99581	1.4
59.19093	0.5
65.61940	0.5
67.05507	6.1
68.04989	0.5
69.07072	3.5
69.35114	2.2
69.35544	2.7
70.06622	0.5
71.04996	0.7
71.08621	0.8
74.00657	2.6
76.02243	1.2
79.05482	3.5
80.05010	0.9
81.03393	0.6
81.05790	0.5
81.07057	12.5
83.04974	1.3
83.06106	0.8
83.08615	2.8
84.04494	4.4
85.10172	1.6
86.00652	1.6
87.02692	0.6
88.02203	0.8
91.05469	3.7
93.07038	5.1
94.06568	1.0
95.04954	1.0
95.08607	8.9
97.06522	1.4
97.10139	0.9
98.09696	0.5
99.01407	1.1
99.05573	0.8
100.02206	2.2
105.07025	3.5
107.04888	0.7
107.08591	3.6
107.14054	0.5
109.06494	0.9
109.10148	2.7
111.02684	0.9
111.08076	2.5
112.02203	1.8
113.09640	1.7
114.03761	5.1
115.05733	0.5
116.01672	3.3
117.07041	0.5
119.08599	2.7
121.10133	1.9
123.08110	0.6
123.11721	1.4
124.11249	1.0
126.03783	0.8
127.05810	0.6
128.33592	0.5
129.06650	1.7
130.04993	0.9
131.08606	1.3
133.10132	1.3
135.11681	1.1
136.03886	0.5
137.04225	0.7
137.12083	0.5
138.73900	0.5
139.03152	0.5
144.01181	0.8
145.06085	0.6
145.10132	0.9
147.11690	1.8
149.09610	0.7
149.13264	1.6
150.12766	0.7
153.12775	1.3
159.11771	0.6
161.13300	0.7
162.02220	2.1
163.11127	0.6
165.12744	2.8
169.04320	0.6
169.09195	1.3
170.09985	57.5
173.13295	2.2
175.14819	0.8
179.04927	0.9
181.06160	0.8
182.09999	0.5
185.03838	1.9
187.05328	1.1
189.03329	0.8
191.14319	1.1
209.15337	3.1
211.10822	0.9
215.04851	2.2
216.05612	2.4
225.10425	0.5
231.04353	2.5
233.05762	0.7
245.13452	0.5
249.22075	0.8
272.11887	12.7
273.12729	1.6
277.21600	7.8
294.24359	1.1
295.22623	2.5
308.09290	0.8
309.18924	0.8
324.23563	1.1
325.11627	0.5
326.21399	1.1
334.21985	1.7
335.20331	3.3
352.23019	12.0
353.21609	1.3
370.24200	7.4
380.22562	1.2
380.45407	0.5
409.25204	1.0
454.75256	0.5
455.25735	100.0
456.26089	1.3
481.26923	0.7
483.22897	0.5
509.26868	0.6
527.27832	3.9
584.29865	1.3
585.27924	0.6
602.30969	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01874	2.2
55.05508	24.5
57.07065	9.2
59.04995	4.9
59.88158	2.5
65.03932	4.1
65.69438	2.0
67.05502	35.2
69.03432	18.3
69.07063	22.1
69.80030	10.6
69.80444	3.5
71.05006	3.3
79.05498	41.2
81.03427	3.7
81.07055	53.7
83.04989	21.3
83.08611	14.5
85.06525	5.7
87.04456	6.3
89.06037	5.1
91.05476	63.1
93.07043	86.3
95.04969	27.9
95.08609	42.8
96.08963	1.8
97.06541	12.4
99.36712	2.4
103.05475	5.3
105.07030	100.0
107.08597	81.1
109.06519	17.3
109.10156	32.2
111.08050	4.7
113.09667	4.4
115.05456	7.9
117.07027	22.1
119.08579	96.1
121.06493	12.0
121.10139	81.9
123.08081	18.9
123.11711	8.1
125.06014	4.3
125.09626	10.5
128.06224	16.1
129.07025	18.9
130.07750	12.0
131.08569	48.3
132.08910	2.2
133.06552	4.5
133.10129	62.7
135.08041	21.1
135.11682	20.5
137.09628	10.3
137.13322	2.2
139.11169	5.5
141.06989	9.8
142.07773	24.4
143.08569	44.3
144.09402	10.9
145.06508	4.9
145.10126	69.0
146.10515	3.2
147.08061	15.4
147.11691	23.7
149.09634	16.8
149.13287	5.1
151.07526	7.5
151.11203	3.3
153.07007	2.9
154.07767	4.9
155.08530	17.5
155.10611	3.1
156.09332	20.2
157.10127	55.8
158.10747	7.9
159.08069	18.4
159.11685	41.9
161.09618	10.4
161.13254	10.8
163.11232	10.4
165.06953	6.6
165.09128	24.1
166.07755	3.4
167.08595	9.8
167.10678	47.8
168.09328	6.8
169.10110	35.9
170.10941	9.9
171.08150	2.6
171.11671	31.7
173.09650	6.0
173.13269	22.0
175.11212	9.4
175.14825	15.5
177.12750	2.3
179.08562	13.7
180.09312	7.3
181.10106	20.1
181.12222	8.2
182.10858	9.0
183.11697	25.5
184.12415	4.3
185.09668	4.2
185.13257	17.5
186.13675	3.7
187.11163	6.0
187.14793	9.8
189.12761	7.1
191.14291	7.8
192.09293	5.9
193.10118	14.5
193.11794	2.0
194.10851	9.5
195.11723	18.4
196.12421	9.9
197.13275	25.6
199.11185	4.2
199.14821	14.4
201.12741	4.2
201.16350	4.9
203.08701	2.3
203.14352	13.3
204.09401	2.6
205.10139	4.0
205.15897	2.3
206.10959	7.2
207.11700	15.8
207.13618	3.4
208.12454	6.3
209.13289	22.7
209.15263	3.5
210.13927	4.4
211.11293	3.4
211.14847	19.3
213.12830	5.3
213.16368	6.9
215.14268	5.4
217.10062	2.7
217.15903	5.0
218.10916	3.4
219.11592	5.6
219.17368	2.9
220.12570	5.0
221.13237	16.8
221.15367	38.6
222.13956	4.0
223.14819	15.2
225.12679	4.3
225.16354	7.0
227.14259	5.2
230.10899	3.0
231.11665	6.5
231.26468	2.3
232.12439	2.7
233.13203	10.3
233.15392	26.6
234.13858	4.8
235.14755	7.4
235.16917	3.5
237.16394	6.7
239.14345	2.9
239.17947	4.2
243.17354	2.4
244.12350	2.6
245.13289	5.7
246.13930	4.7
247.14757	7.5
249.16403	3.6
251.17917	4.6
253.19592	2.4
255.17526	4.4
257.18936	2.5
259.14682	4.6
260.15646	3.0
261.16321	6.9
263.17905	5.6
265.19434	5.6
269.19052	6.4
271.20358	2.3
273.16107	3.8
273.18774	3.4
275.17804	5.9
277.19620	2.9
281.19037	4.7
283.20602	5.1
285.18652	3.7
291.17554	2.9
291.21060	2.3
295.20645	3.5
299.20135	4.7
302.02625	2.2
304.18295	2.1
331.24084	2.8
347.23712	3.2
361.25357	3.2
367.26273	3.1
565.40063	6.2
583.41211	9.6
598.56281	2.7
601.42999	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38509	1.4
53.03938	7.2
54.44896	1.5
55.05512	20.6
55.44862	1.7
57.07067	6.8
59.04986	5.6
64.96279	1.9
65.03945	6.8
67.05502	34.4
69.03434	15.0
69.07063	19.9
69.42439	1.7
70.73436	5.8
71.04988	4.4
77.03938	1.8
79.05485	31.8
81.07050	45.6
83.04977	20.5
83.08618	14.5
85.06551	5.7
87.04456	3.9
89.67387	1.6
91.05475	54.0
93.07040	82.6
95.04968	29.2
95.08604	40.3
97.06526	13.3
103.05460	5.4
105.07024	100.0
106.07851	2.2
107.04969	2.1
107.08589	70.4
109.06523	14.3
109.10148	31.0
111.08081	6.0
111.11763	3.1
113.09667	4.0
115.05457	6.2
116.06201	2.1
116.99571	1.6
117.07022	17.7
119.08575	91.8
121.06514	13.0
121.10139	87.1
123.08064	14.3
123.11701	10.8
125.09624	14.8
128.06190	10.2
129.06996	19.6
130.07846	8.3
131.08565	43.9
133.06517	3.8
133.10130	60.4
135.08031	16.1
135.11682	21.0
137.09602	10.2
137.13220	2.2
139.11198	6.0
141.06978	8.6
142.07767	22.2
143.08551	49.8
144.09337	12.6
145.06496	2.9
145.10120	69.6
145.11279	3.4
146.07231	2.7
146.10519	2.1
147.08018	10.2
147.11685	21.4
149.09618	24.2
149.13232	5.2
151.07581	4.2
151.11172	3.9
153.07001	4.4
154.07761	3.0
155.08531	16.9
155.10693	5.7
156.09343	17.5
157.10132	52.1
158.10808	7.4
159.08055	15.1
159.11679	37.9
160.12279	1.8
161.09615	13.0
161.13277	7.0
163.11194	7.4
165.06976	5.9
165.09055	8.6
166.07796	2.4
167.08565	11.5
167.10664	64.0
168.09369	8.1
169.10127	30.5
170.10941	8.7
171.08034	3.5
171.11684	37.5
172.08775	2.7
172.12259	3.2
173.09601	7.3
173.13235	25.6
175.11206	8.7
175.14816	15.3
177.12770	4.3
178.07709	2.4
179.08505	9.8
180.09323	5.2
181.10144	16.0
181.12173	4.6
182.10965	10.5
183.11690	23.6
184.12370	5.0
185.09619	4.6
185.13261	17.3
186.10258	2.2
186.88168	2.0
187.11227	5.1
187.14801	11.9
189.12730	9.4
191.08591	2.8
191.14336	6.2
192.09331	6.1
193.10130	12.0
193.11755	1.9
194.10936	7.9
195.11676	21.8
196.12453	6.8
197.13246	23.3
199.11180	5.0
199.13118	1.9
199.14786	10.5
201.12752	4.9
201.16342	5.9
203.14320	6.9
205.10104	3.1
206.10895	7.0
207.11707	18.0
207.13623	2.6
208.12419	6.8
209.13269	26.7
209.15211	2.6
210.13960	5.1
211.11223	5.1
211.14796	18.4
212.15425	2.4
213.12779	6.0
213.16339	7.0
215.14320	5.8
217.15871	4.7
218.10928	2.4
219.11688	4.7
220.12488	5.1
221.13239	11.8
221.15392	14.2
222.14015	5.1
223.11357	2.5
223.14783	17.4
225.12804	4.0
225.16425	6.4
227.14355	4.6
229.15736	2.8
231.11644	4.9
231.17505	2.0
232.12560	2.3
233.13206	7.0
233.15320	31.6
234.13962	3.3
234.16031	2.9
235.14766	9.5
236.15388	2.2
237.12752	2.3
237.16388	9.0
238.16945	2.2
239.18028	3.7
245.13252	3.8
246.14081	2.8
247.14827	4.3
247.17026	2.3
248.15543	2.6
249.16391	7.7
251.17955	6.7
255.17383	4.9
257.18954	2.3
258.13937	2.6
259.14655	3.1
260.15582	3.3
261.16357	6.9
263.18005	5.5
265.19504	5.6
267.17502	2.2
267.20920	2.8
269.19000	6.3
273.16190	3.5
274.17136	2.8
275.17941	5.7
277.19489	3.8
281.18936	5.1
283.20554	4.9
285.18600	4.0
286.19327	2.7
287.17612	3.3
287.20407	4.1
291.20956	2.4
295.20663	4.9
299.20276	4.0
300.20758	2.1
301.19092	2.3
311.20190	3.4
315.21066	2.2
317.18787	2.1
317.22437	2.0
333.22128	2.0
347.23788	2.4
349.25323	2.2
365.24686	2.5
367.26193	2.5
375.26755	2.9
483.12708	1.8
547.39557	1.7
565.40265	5.7
583.41235	7.8
601.42529	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
53.64291	2.0
54.08875	2.1
55.05509	18.5
57.07065	8.6
59.04998	4.4
65.03930	4.2
65.94441	1.9
67.05225	2.9
67.05511	31.9
69.03410	14.0
69.07065	23.2
69.43182	20.4
71.04957	2.4
79.05492	39.9
80.05827	2.3
81.03426	4.8
81.07053	46.2
83.04973	19.7
83.08617	14.3
85.06532	7.9
87.04456	4.6
91.05479	54.2
93.06462	4.1
93.07044	81.8
95.04977	28.1
95.08609	42.8
97.06523	11.0
97.10180	2.5
103.05449	4.8
105.07030	91.4
106.07333	4.7
107.04920	3.9
107.08591	66.8
109.06524	16.6
109.10149	29.7
111.08071	5.1
113.09658	2.9
115.05444	6.2
116.06242	3.5
117.07013	20.0
118.40427	2.3
119.04921	2.2
119.08581	100.0
119.63374	2.3
120.08898	3.3
121.06487	10.0
121.10146	78.5
123.08086	22.0
123.11698	13.2
125.05994	6.5
125.09630	10.2
128.06212	13.8
129.07013	16.5
130.07759	7.1
131.08577	38.6
133.06479	6.0
133.07455	2.1
133.10130	59.6
134.10425	3.8
135.08066	18.2
135.11700	20.8
137.09584	17.0
139.11183	7.7
141.06978	10.7
142.07776	23.1
143.08575	38.5
144.09322	9.7
145.06473	5.8
145.10120	69.0
146.07304	3.6
146.10593	5.2
147.08038	21.9
147.11696	21.5
149.09637	19.9
149.13251	3.2
151.07550	12.6
151.11223	3.9
153.06995	4.9
154.07722	3.8
155.08580	16.0
155.10611	2.4
156.09358	20.9
157.10130	54.5
158.07281	2.8
158.10800	7.1
158.51051	2.4
159.08121	10.5
159.11694	39.9
160.12343	2.0
161.09592	15.9
161.13237	10.3
163.11148	12.7
165.06979	7.7
165.09103	29.9
166.07884	3.6
166.09399	2.7
167.08525	8.6
167.10686	41.9
168.09320	7.6
169.10129	25.8
170.10907	11.5
171.11697	34.8
172.12198	3.0
173.09592	7.6
173.13274	22.7
175.11200	13.2
175.14844	12.4
177.12674	2.7
179.08560	11.2
180.09344	5.2
181.10141	15.8
181.12222	9.3
182.10854	10.1
183.08089	2.2
183.11690	27.0
184.12387	4.5
185.09525	3.3
185.13225	19.1
187.11171	8.2
187.14766	10.2
189.12718	9.2
189.16386	3.4
191.14313	6.9
192.09344	4.3
193.10130	10.3
194.10910	8.2
195.11722	22.7
196.12395	8.7
197.13239	22.9
198.13908	3.8
199.11142	4.9
199.14764	12.4
201.12701	6.4
201.16425	5.5
203.14326	16.5
204.14671	2.5
205.10158	5.5
205.15787	3.0
206.11012	6.1
207.11676	14.3
207.13805	11.2
208.12430	7.7
209.13266	24.0
209.15141	3.9
210.13913	3.7
211.14804	18.9
213.12753	6.8
213.16351	4.8
215.14352	4.4
217.10167	3.4
217.15916	3.6
219.11624	5.1
219.13766	3.2
220.12447	3.0
221.13226	13.3
221.15326	65.0
222.13855	4.5
222.15788	5.6
223.14851	16.4
224.15282	2.7
225.16402	8.3
227.14285	5.3
229.15753	3.6
231.11539	2.9
231.17635	2.8
232.12599	3.0
233.13181	7.4
233.15395	17.9
234.13809	5.3
235.14726	10.4
237.12695	3.4
237.14510	2.8
237.16508	4.6
239.14290	2.9
239.17911	5.5
245.13158	5.6
247.14676	6.0
247.16963	4.0
249.16420	5.4
251.14232	2.7
251.17972	5.5
255.17383	4.7
257.19122	2.9
261.16376	4.5
263.17972	5.9
265.19376	4.4
267.17294	3.9
267.70004	2.9
269.19003	3.3
271.20438	4.0
273.16043	2.8
277.19193	2.9
281.18973	3.7
283.20563	8.1
287.19937	7.1
289.19540	2.5
295.20609	6.7
297.22052	4.7
299.20135	3.8
300.20712	3.8
301.21729	4.1
303.19586	3.9
304.20029	4.4
311.20004	4.4
312.20993	4.3
316.21436	2.4
331.24139	3.1
349.25443	4.5
352.24030	5.8
353.24249	9.6
361.25119	2.8
366.25076	2.4
367.26434	5.0
375.26892	4.7
472.32632	2.9
491.35037	3.1
503.34964	3.0
521.36029	6.9
565.40588	6.2
583.41595	13.3
601.42761	49.5
622.51282	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01234	3.8
53.03943	4.8
55.05497	4.5
57.07076	10.5
57.92969	3.9
62.83871	4.4
67.05492	15.2
69.03434	6.9
69.07076	9.4
79.05476	11.6
81.07044	22.2
91.05475	24.1
93.07038	30.4
95.04942	7.2
95.08582	16.5
105.07043	37.8
107.08578	13.5
109.06528	10.6
109.10178	6.7
119.08582	39.4
121.10138	19.8
122.44505	4.4
123.08048	13.8
131.08522	13.8
133.10112	18.3
135.08034	7.8
135.11676	11.6
137.09599	12.2
142.07768	5.1
143.08548	16.1
145.10127	25.0
147.08018	13.3
147.11653	9.1
149.09605	6.7
151.07553	13.6
157.10121	18.4
158.10568	6.5
159.11671	15.6
161.09695	6.2
161.13255	4.3
163.11212	5.6
165.09117	48.4
169.10167	10.5
171.11717	11.0
173.13289	6.1
181.12251	6.4
183.11667	7.9
184.12259	5.1
185.13268	4.6
187.14764	9.8
189.12686	7.2
190.20807	4.7
197.13239	6.3
201.12920	5.3
203.14343	16.3
209.13348	5.6
221.13319	3.5
221.15334	100.0
222.15717	6.8
242.15147	4.2
247.17061	6.6
275.19778	4.6
287.20029	8.8
288.10327	5.1
300.20648	6.7
367.26315	6.2
382.86758	4.4
428.29541	4.8
440.29163	5.9
441.29459	9.1
465.61954	4.3
491.35175	9.5
521.35663	9.1
583.41486	14.4
601.42621	32.7
601.51044	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	601.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.5
58.99832	0.6
67.05500	2.5
68.67247	0.4
69.07053	0.9
69.63036	2.9
72.53630	0.5
72.78622	0.5
77.00897	1.2
79.05483	1.1
81.03412	1.0
81.07047	2.5
82.48335	0.5
86.43520	0.4
87.40672	0.4
91.05460	1.2
93.07023	2.0
95.01910	1.0
95.08601	2.2
97.06467	0.5
98.20745	1.0
103.02396	1.1
105.07037	1.1
107.08561	1.2
109.10139	0.8
115.02438	0.7
115.03683	2.8
116.65214	0.4
119.01875	2.1
119.08562	1.2
120.17692	0.4
121.03468	1.2
121.10137	1.3
131.01900	3.5
133.02531	0.9
133.03462	9.6
133.10133	1.2
135.11682	0.5
139.02397	0.7
140.52562	0.4
145.03455	3.2
145.10094	0.6
147.11584	0.6
149.02045	1.6
149.03046	1.0
151.04514	5.0
157.03476	3.6
159.04996	0.9
161.02950	3.0
161.13240	0.7
163.04547	1.1
167.01924	1.2
169.03427	1.2
171.05066	2.3
173.02975	0.5
175.04631	2.4
182.98093	2.2
183.04997	0.5
185.02948	6.5
185.06569	0.7
187.04503	3.5
189.06113	1.9
195.98940	0.8
200.99203	0.6
201.06070	7.4
203.04004	1.4
208.04639	0.8
211.04558	0.6
213.05981	1.2
217.05585	2.0
220.99722	0.6
222.15579	0.5
230.97675	0.7
230.99831	2.2
234.15692	0.6
239.00664	3.8
241.05568	1.4
248.98799	4.7
253.02245	0.5
260.14285	0.6
261.58545	0.4
264.98892	0.5
267.00119	3.1
281.01721	4.1
285.01276	1.3
289.48032	0.5
301.20102	28.0
302.20291	0.8
305.01682	2.6
319.21155	8.5
323.02954	1.5
335.20996	0.5
335.25778	0.7
337.22208	3.3
341.04657	9.0
342.22760	2.1
357.23883	1.4
359.04877	2.9
360.13892	0.5
375.25018	100.0
376.25601	0.7
377.06021	1.8
417.26187	0.7
461.27631	0.9
473.20636	0.7
499.21799	0.6
503.29929	1.5
513.23657	1.5
541.23224	7.4
565.23102	1.8
583.24707	6.0
600.41180	0.7
601.25354	26.4
602.24652	0.6
619.26520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72593	17.3
69.94122	100.0
81.07037	31.2
89.06022	21.6
89.30933	16.7
91.05464	19.6
93.07008	33.5
105.07025	46.3
107.08578	30.5
119.08596	28.2
133.10059	16.5
143.08533	33.3
145.10156	20.3
147.07985	22.1
165.09081	28.2
221.15398	61.7
235.14519	17.8
508.35260	22.6
600.40973	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94045	10.3
70.22276	9.6
70.96122	9.4
71.60439	12.1
79.05489	15.2
81.07079	14.5
84.62691	9.6
89.06036	22.6
91.05489	28.1
93.07033	37.5
95.08604	30.9
105.07033	40.9
105.59671	10.2
107.08604	26.0
119.08601	45.4
121.10176	21.2
123.08080	23.7
125.06010	12.4
128.55243	10.6
129.07028	16.1
131.08577	39.9
133.08667	14.7
133.10107	29.7
135.08061	12.6
135.11725	20.0
135.38399	9.7
137.09485	12.0
143.08546	19.7
143.26775	10.7
145.10155	46.4
146.75134	11.1
147.08081	19.6
147.11635	10.3
149.09602	18.8
151.74217	9.3
156.09329	17.5
157.10083	30.9
159.08112	10.6
159.11710	39.6
161.09676	21.2
163.11200	23.4
165.09164	47.5
171.11720	21.0
175.11211	23.6
181.12280	28.5
183.11700	17.0
195.11783	13.6
203.14415	18.0
207.11885	13.2
207.13901	13.7
219.13913	12.4
221.15323	100.0
233.13118	11.2
233.15508	13.2
234.16240	21.5
247.16933	29.8
287.20007	21.0
299.20108	13.6
320.97150	10.5
340.23941	16.0
352.24100	30.2
440.29214	45.0
520.35229	25.3
600.41357	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.05507	8.9
55.15715	2.2
57.07085	11.9
59.04987	3.6
65.03944	4.2
67.05498	19.0
69.03420	8.6
69.07059	7.7
70.66338	5.4
79.05489	16.4
79.06302	2.3
81.07053	27.2
83.04973	6.7
85.06544	4.5
89.06037	5.4
91.05474	26.2
93.07037	32.5
95.04961	9.5
95.08602	20.4
97.06536	4.1
105.07024	48.6
106.07327	3.1
107.08590	24.4
109.06533	9.2
109.10131	9.2
115.05489	2.5
117.07014	14.8
119.07782	4.0
119.08582	52.1
120.08857	3.5
121.06502	7.7
121.10181	19.9
123.08086	18.0
125.05983	9.0
128.06270	4.8
129.07010	9.5
130.07785	4.3
131.08572	20.3
132.09297	2.6
133.06494	3.2
133.10121	20.4
134.10522	2.5
135.08061	20.6
135.11700	6.4
137.06013	2.9
137.09610	13.6
139.07526	3.7
141.07002	3.8
142.07797	8.2
143.08533	22.9
144.09328	4.8
145.10107	33.6
146.10425	3.4
147.08043	27.3
147.11676	7.1
148.08633	2.5
149.09656	12.5
151.07539	9.1
155.08572	7.8
156.09320	7.5
157.10124	29.0
158.10780	5.7
159.08072	8.0
159.11674	17.3
160.08864	3.0
161.09624	6.6
161.13272	6.0
163.11163	16.1
165.09109	46.1
166.09485	6.3
167.08565	6.0
169.10136	14.7
170.10852	7.0
171.11667	13.9
173.09607	4.5
173.13220	5.8
175.11140	23.2
177.09068	4.5
178.09868	3.6
179.08505	4.3
180.11316	2.5
181.10100	8.4
181.12212	11.4
182.10757	2.3
183.11699	17.2
184.12163	3.3
185.09541	3.6
185.13272	7.6
187.11192	5.5
187.14885	4.0
189.12764	6.5
190.13499	8.8
191.10719	4.1
193.10184	4.7
193.12253	12.0
195.11699	8.7
196.12448	3.4
197.13274	10.8
199.11205	5.5
199.14879	3.3
201.12767	6.6
203.00557	2.5
203.14259	15.7
204.14583	4.5
205.10233	4.0
206.10971	2.4
207.11838	5.4
207.13823	11.8
208.12573	4.3
208.14597	7.7
209.13261	8.0
210.10236	3.0
211.14835	8.8
213.12721	5.6
219.13799	7.3
221.13390	4.1
221.15346	100.0
222.15694	14.9
223.14766	5.6
227.14253	3.5
233.15392	4.3
234.16130	19.2
237.12720	4.2
239.17889	3.0
241.15750	3.2
247.16943	27.7
249.16248	2.8
251.14215	2.9
257.15381	2.7
259.16940	5.9
274.19299	10.2
279.17331	3.7
281.18927	3.5
285.18573	2.7
286.19180	3.6
287.20129	12.1
299.20093	12.5
311.19809	6.0
312.20822	5.4
313.21564	5.2
325.21585	10.8
327.23181	3.8
337.21350	2.6
339.23001	4.9
340.23911	12.1
352.23984	18.9
366.25372	3.1
379.26239	2.8
387.25378	3.4
391.26160	5.0
392.26831	2.8
413.26675	6.6
419.29398	10.5
425.26834	6.4
426.27731	4.1
427.28430	12.7
440.29190	30.6
442.30838	5.0
507.34427	3.3
508.35208	7.2
520.35553	27.2
582.40289	2.6
585.39496	5.7
600.41669	40.6
600.50739	5.1
622.97150	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05514	5.3
57.03440	1.7
57.98792	1.0
58.99583	13.7
67.05506	8.9
68.52478	0.9
69.03426	2.4
69.07067	5.0
71.04981	1.3
71.60076	1.2
76.02224	77.3
76.03987	2.4
79.05475	7.9
81.07049	11.1
83.04977	2.9
83.06098	1.8
83.08614	3.4
84.04500	15.6
85.02905	1.1
86.99045	3.2
88.02223	1.4
88.78503	0.9
91.05480	7.4
93.07045	9.3
95.04964	1.8
95.08606	7.2
97.06532	1.8
97.10159	3.1
99.05541	1.1
103.05465	1.0
105.07028	9.9
107.04956	2.0
107.08581	8.0
109.06511	3.9
109.10155	3.6
111.08081	1.1
115.51934	0.9
116.01674	20.1
117.06993	2.1
119.08575	6.1
121.06489	3.2
121.10137	4.2
123.08065	2.6
123.11668	1.1
125.09594	2.2
129.06985	1.2
130.04982	5.4
131.08594	5.6
133.06572	1.2
133.10143	6.9
135.08081	2.8
135.11674	2.1
137.09634	1.1
142.03212	7.4
143.08516	1.8
144.01134	12.2
145.10101	5.1
147.08009	2.0
147.11674	4.9
149.09624	2.0
151.11243	1.5
157.10141	1.5
159.08066	1.5
159.11676	2.3
161.09659	1.4
161.13181	1.8
162.02199	39.6
163.11209	1.6
170.02698	2.9
175.11188	1.3
179.04848	100.0
187.05353	2.9
187.11148	1.0
189.11221	2.3
191.14249	1.1
201.12753	2.4
207.13864	2.2
215.04951	1.2
215.10692	0.8
219.13985	1.4
221.15288	1.0
233.05911	13.9
245.05818	4.3
257.18973	4.0
273.18481	3.8
275.20059	27.5
290.08270	1.1
291.06464	1.6
291.19574	1.8
293.21063	16.8
294.21362	1.0
308.09079	26.8
360.34802	1.0
368.22501	8.1
453.24170	6.1
471.25256	2.6
525.26196	4.0
582.28448	1.8
592.95239	0.9
600.29620	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32368	0.6
51.37597	0.5
53.03918	1.1
55.01867	0.6
55.05511	3.9
56.05022	0.7
57.03442	0.7
58.99583	0.8
67.05508	9.7
69.07060	3.9
70.47230	0.5
71.19307	1.0
71.19633	0.9
74.00652	2.0
76.02225	1.8
79.05495	6.0
80.04994	1.6
80.61247	0.6
81.07055	20.5
83.04972	1.0
83.06093	1.5
83.08617	1.5
83.61395	0.6
84.04498	4.8
85.01147	1.0
85.96267	0.5
86.00671	1.0
86.99058	0.6
91.05479	6.5
93.07046	6.8
94.06573	0.8
95.04984	2.8
95.08606	9.8
96.99993	0.5
97.01125	2.2
97.06503	1.1
99.01409	4.9
99.05549	1.0
100.02203	6.6
105.07035	7.5
106.06532	1.0
107.04917	1.4
107.08594	4.0
108.08077	1.0
109.06548	3.1
109.10137	2.6
111.02696	1.1
112.02190	9.0
113.02943	1.0
113.04232	0.9
114.03754	6.3
116.01653	1.2
117.07004	1.6
119.08586	4.4
120.08125	0.9
121.06484	0.9
121.10127	3.1
122.09669	1.3
123.08070	0.9
123.11703	1.5
125.04205	1.3
125.09653	0.9
126.03769	3.5
129.06622	2.3
130.05026	1.5
130.52643	0.6
131.08572	3.2
133.10126	2.2
135.07988	1.1
135.11682	1.7
135.85243	0.6
136.92035	0.6
138.03719	2.3
140.05275	7.5
142.06845	0.7
143.08583	0.6
144.01073	0.6
145.06033	0.7
145.10115	2.6
147.11684	2.9
148.11191	0.7
149.09566	1.4
149.13239	1.6
152.05280	2.2
154.06841	1.3
155.08609	0.5
157.10110	0.7
159.11691	1.2
161.13319	0.6
162.02211	1.4
162.12839	0.7
163.11153	1.4
163.14799	0.9
165.12689	0.6
166.06831	1.5
167.07582	0.7
168.08414	16.9
169.10069	0.7
173.13159	2.8
179.04837	0.9
185.03737	2.8
189.12776	0.7
191.14265	0.7
193.06026	0.8
202.04092	1.9
207.13840	0.7
209.15395	2.6
216.05693	2.4
223.13350	0.7
225.32979	0.6
231.04366	2.5
233.05853	1.0
236.14493	1.4
241.06470	1.1
255.08003	2.6
257.07657	1.1
264.14111	6.7
269.09528	1.9
270.10297	6.6
271.11227	1.4
275.20041	7.7
281.14398	2.6
282.15198	28.8
293.21204	1.6
308.09070	1.2
323.16116	0.9
332.20285	0.9
333.18777	3.5
339.17654	0.8
350.21503	10.4
351.19864	2.0
368.22537	9.7
378.21405	0.7
384.17114	12.4
385.17822	2.4
453.24179	100.0
454.24429	1.8
479.25546	0.7
497.99390	0.7
503.20816	0.7
507.25601	0.7
525.26184	5.4
533.31848	0.6
533.65503	0.6
572.54547	0.6
582.28064	1.5
583.27203	0.7
600.29370	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	600.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88924	1.9
55.01868	3.1
55.05504	4.2
57.03447	7.6
57.03665	1.5
59.04980	1.9
67.05498	5.8
69.03087	1.7
69.03430	26.4
69.07059	4.7
70.06584	3.4
71.04990	4.3
71.36040	4.2
75.04482	1.7
79.05499	8.7
81.03423	3.0
81.07064	18.8
83.04973	10.0
84.04534	1.4
84.08161	2.4
85.02907	20.6
85.06552	4.0
86.09700	2.4
87.04472	14.3
91.05470	6.9
93.06536	2.5
93.07053	25.1
95.04946	5.8
95.08614	22.0
97.02893	19.2
97.06536	14.4
99.04456	9.9
101.07156	1.7
103.10790	1.9
105.07045	14.5
107.04955	4.9
107.08604	11.2
109.02901	2.1
109.06512	14.4
109.10161	3.0
111.04471	1.5
111.08095	9.3
113.06007	3.1
115.03935	17.5
117.03288	1.5
119.08587	8.5
121.06509	45.8
121.07372	3.3
121.10101	1.9
123.04434	2.4
123.08118	3.0
123.11700	4.6
125.05949	7.6
127.07550	5.5
129.06927	3.8
131.08548	3.7
133.04976	13.4
133.10092	9.4
135.04442	4.0
135.08041	6.3
137.05983	4.4
139.07549	10.9
141.05440	1.8
143.07024	7.4
143.08510	3.0
144.06491	1.9
145.04897	2.3
145.10109	4.4
147.08084	3.4
147.11687	24.2
149.13240	2.1
151.11197	2.9
157.08604	8.4
157.10063	8.4
159.06529	7.0
161.09601	1.7
161.13257	6.2
165.12700	8.6
167.06873	1.9
169.12274	10.9
171.11719	8.2
173.09621	2.1
175.11188	16.2
179.13988	1.7
181.10132	3.9
189.12727	14.2
193.12259	16.3
199.11221	18.1
207.13791	6.4
211.09621	4.3
211.13261	16.1
217.12247	46.5
229.14365	9.1
235.13293	64.3
248.65762	1.6
253.14365	100.0
270.16910	1.9
271.15402	26.7
289.06012	1.7
289.16449	38.8
462.39560	1.7
508.36444	1.6
600.25702	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
59.36835	0.6
65.03927	1.4
67.05505	0.7
69.03445	0.8
70.06585	1.3
70.27968	1.1
70.28366	1.2
72.08156	11.2
75.09218	0.6
79.05470	0.6
81.07043	0.6
84.08129	1.9
85.02910	0.6
89.03892	1.0
91.05480	8.9
91.65470	0.5
104.07008	0.5
107.04986	0.6
111.64022	0.6
112.11226	4.2
115.06538	0.5
117.03345	1.0
119.04938	18.9
127.03896	0.6
129.13872	2.7
135.04407	4.2
137.23207	0.6
145.02852	3.3
146.16583	0.8
147.04407	100.0
155.11798	1.3
163.03903	30.4
172.14468	0.7
203.11743	4.1
204.10197	51.3
218.11794	0.7
220.09647	4.8
221.12833	1.4
233.12854	2.2
234.11247	3.7
274.19250	1.2
275.17563	9.5
291.17023	2.2
292.20239	5.4
300.17300	0.6
308.19702	5.4
318.18137	1.0
331.12280	0.6
436.22321	29.0
437.20599	1.8
438.23889	11.7
454.23364	70.8
455.23587	0.8
600.26959	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92234	0.4
53.03939	1.3
55.01865	0.8
57.03419	1.3
59.16615	0.4
63.80436	0.4
67.05492	1.7
68.05029	0.5
68.99783	0.4
69.03431	6.5
69.58178	1.4
69.58605	1.8
70.06563	1.0
71.04982	0.5
73.02898	1.1
78.57278	0.4
81.03419	6.6
84.04507	0.4
84.08141	1.0
85.02435	0.4
85.02907	6.8
86.09682	0.5
87.00835	2.5
87.04462	0.6
97.02885	3.7
98.20785	0.7
99.04453	2.4
105.01881	0.9
105.07087	0.5
109.02879	5.7
115.03953	0.6
117.01852	0.5
119.03548	2.3
127.03917	5.9
129.01860	0.5
129.10327	0.4
135.06653	1.7
136.06189	100.0
137.04590	2.2
140.08176	1.1
145.04987	1.1
146.04619	1.0
147.02997	0.5
148.06174	4.7
153.01823	0.9
155.02386	0.4
158.07208	0.6
159.02914	1.8
159.06705	2.9
159.07825	0.5
163.07574	0.5
167.07027	0.5
173.08298	0.9
175.09802	1.7
178.07260	1.0
185.08229	15.5
187.08522	0.8
202.10873	31.5
202.78671	0.4
220.11937	43.7
224.08572	0.4
224.60358	0.4
268.10486	1.2
303.05017	1.2
304.05246	2.2
305.05481	1.9
306.05780	1.9
352.16031	2.0
382.17010	1.0
384.11304	0.6
424.18292	14.8
424.23962	0.9
438.10217	0.6
468.17279	63.0
556.22729	2.5
600.21545	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.1
55.29729	6.0
57.07071	7.3
67.05492	13.8
69.03419	8.9
69.07057	21.4
71.60960	10.6
79.05472	19.3
81.07042	21.0
83.04967	24.5
83.08612	7.1
85.02859	7.3
90.32336	6.3
91.05470	26.7
93.07043	49.7
95.04953	14.1
95.08593	30.3
98.30686	5.9
105.07013	28.7
107.08571	24.6
109.06539	12.8
109.10149	20.0
115.05487	7.9
117.07031	7.1
119.08592	29.1
121.06454	7.7
121.10136	48.4
123.08046	18.5
123.11765	8.3
129.07021	11.8
131.08588	17.0
133.10104	21.5
135.08032	9.7
137.09631	7.7
143.08568	13.9
145.10126	20.4
147.08018	21.9
147.11713	8.7
149.09586	20.7
151.07541	14.4
155.08525	7.5
156.09332	9.4
157.10150	16.4
159.08025	12.4
159.11667	13.2
161.13148	8.0
165.09082	13.5
167.10667	83.7
169.10126	5.9
170.10880	8.9
171.11743	15.5
173.13152	13.3
175.01566	6.9
175.14777	8.0
181.02657	10.7
181.12212	7.2
183.11696	16.0
187.11195	8.3
187.14824	9.5
189.12793	7.4
195.11711	7.5
197.13289	9.9
199.14751	7.7
207.11841	10.1
207.13792	11.3
209.13208	10.1
211.11259	6.5
215.14288	6.2
221.13358	10.6
221.15404	27.4
233.15373	24.9
269.13000	6.8
313.12006	8.8
371.71655	7.5
543.18842	17.6
581.39832	20.2
588.87836	6.8
599.25281	12.2
599.41089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46915	2.6
55.05507	9.2
58.26686	2.6
67.05502	17.0
69.07073	9.5
70.29860	2.8
70.85176	5.1
70.85532	4.4
73.02901	4.5
79.01860	3.8
79.05493	16.2
81.07055	30.9
83.08607	10.1
85.02887	9.2
85.06564	2.7
88.21032	3.2
91.05485	16.6
93.07040	23.7
95.01283	3.3
95.04999	4.9
95.08611	54.8
97.02919	3.0
97.10168	6.1
105.07031	34.9
107.08601	43.0
109.09454	3.7
109.10160	43.8
111.08065	4.6
117.07008	3.7
119.08587	39.0
121.10144	37.7
123.11687	12.2
125.09657	2.6
129.07018	4.8
131.08563	12.7
133.10149	29.9
135.11685	31.2
137.02322	5.6
139.11148	3.5
141.01843	8.5
141.36122	2.9
143.08536	5.1
145.10120	17.3
147.02039	3.2
147.11684	28.3
149.13290	15.6
153.01825	9.3
157.10117	8.0
159.11708	19.9
161.13260	20.8
163.14824	13.8
169.10179	3.5
171.11717	6.7
173.13249	15.4
175.14867	19.7
177.16374	10.2
185.13290	5.5
187.14813	13.2
189.16432	22.8
191.17979	5.9
197.13280	4.8
199.14828	6.0
201.16374	17.9
203.17958	28.7
205.19589	3.0
213.16362	6.1
215.17870	14.5
217.19511	14.2
219.17442	8.4
227.17871	9.0
229.05014	3.6
229.19460	18.7
233.19028	5.3
241.19467	3.9
247.20599	9.9
257.22617	5.7
269.22604	3.4
283.15140	5.2
287.05515	100.0
288.05814	3.9
291.26764	2.7
299.05499	61.2
304.05350	3.2
311.05405	9.3
313.07224	3.9
325.06985	5.1
351.18027	6.1
365.32169	3.2
405.35208	15.8
409.16403	46.5
423.36237	16.4
441.37387	6.6
474.23892	2.9
563.26288	8.6
581.27209	26.7
581.38043	10.8
599.33160	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	599.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23459	0.7
53.03940	1.7
54.22831	0.8
55.01862	1.1
55.05509	15.5
57.03420	2.7
57.07069	6.2
60.85332	0.8
63.63130	0.7
65.03937	1.7
67.05502	27.1
69.03418	1.4
69.07065	21.3
70.77600	1.9
71.01345	1.8
71.04980	0.9
71.08621	1.2
73.02914	7.5
77.03944	1.0
79.05492	20.2
81.07056	55.9
83.01331	0.9
83.04973	1.7
83.08616	10.3
85.02904	15.7
85.06555	1.3
91.05478	23.6
93.07041	45.7
95.01335	4.3
95.04966	4.5
95.08604	100.0
97.06522	1.0
97.10167	6.6
99.00803	1.0
99.08097	1.4
101.02375	3.1
103.03951	3.7
103.05412	1.1
105.04487	0.7
105.06284	1.3
105.07028	55.6
107.08592	85.7
108.08907	0.7
109.06528	4.7
109.10152	74.1
111.08083	6.9
111.11720	3.0
113.02362	2.8
113.09655	1.2
115.05426	1.7
117.07011	7.8
119.08577	70.6
121.10139	63.1
123.08081	2.4
123.11704	27.6
125.09630	2.7
128.06212	1.7
129.07007	2.5
130.07777	1.3
131.03389	2.7
131.08565	22.2
133.10126	62.7
135.08073	1.0
135.11690	53.4
137.09657	2.3
137.13246	12.2
137.14215	1.0
139.11172	7.8
141.01822	7.4
142.07794	2.3
143.08553	9.6
144.09357	2.2
145.10115	31.1
147.11687	45.0
149.09558	1.7
149.13255	33.3
151.11200	2.9
151.14828	1.7
153.12787	1.4
155.08499	1.4
156.09341	2.5
157.10126	12.9
158.10925	2.0
159.02873	2.1
159.11684	37.4
160.12462	1.1
161.09683	1.2
161.13249	38.4
163.10013	0.9
163.11133	4.5
163.14819	24.3
165.12718	4.1
167.08553	0.8
167.14319	1.4
169.10120	3.1
170.10950	1.0
171.11667	12.3
172.12447	1.1
173.13257	29.6
175.14821	39.0
177.12796	3.0
177.16371	28.1
179.14384	1.5
179.17975	1.5
181.10242	0.7
183.11687	4.3
184.12494	0.9
185.13261	8.2
186.14078	1.4
187.11351	0.9
187.14813	26.0
189.12833	1.3
189.16374	36.4
191.14325	3.2
191.17943	14.4
193.15906	3.0
195.11786	1.3
195.17444	1.3
197.13347	3.6
199.14799	10.1
200.15630	0.9
201.16371	27.2
203.17947	42.7
205.15881	5.3
205.19489	4.2
207.11877	0.8
207.17464	6.3
209.13286	1.1
211.14862	3.9
213.16377	10.3
214.17200	0.7
215.17953	26.7
217.15984	2.5
217.19505	24.6
217.21555	1.4
219.17407	13.6
221.19066	6.7
225.16467	3.8
225.18492	0.7
227.17941	14.9
228.18848	0.9
229.19501	40.2
231.17444	2.4
231.21062	3.7
233.19008	10.9
235.20595	1.7
239.17952	3.3
241.19518	7.1
243.21101	6.6
245.18985	6.1
245.22693	1.6
247.20576	21.4
251.17996	1.6
253.19501	3.9
255.21040	6.0
257.19101	1.8
257.22604	10.7
259.20599	2.8
261.22229	3.3
267.21167	3.1
269.22656	9.2
271.20773	1.6
271.24234	3.4
273.22043	4.6
275.23761	5.1
281.22672	4.7
283.24252	4.3
285.22229	2.3
285.25735	0.8
287.23788	4.8
293.13986	1.3
295.24222	3.6
297.25876	1.4
301.25290	2.1
309.25836	1.9
311.15161	1.8
311.27423	1.9
313.25323	2.6
321.16837	0.8
323.14923	1.3
323.27246	1.1
327.26938	1.4
329.28421	1.4
335.27399	1.1
339.26532	0.8
348.79996	0.9
351.17981	8.2
353.19525	0.8
361.20364	0.9
363.30521	2.2
365.19501	6.1
365.32123	3.3
377.19797	1.7
379.21414	4.3
379.29886	1.7
381.31638	1.9
383.33142	2.6
391.20941	1.0
403.33664	1.7
405.23013	1.3
405.35175	20.2
411.36353	1.1
419.24390	2.8
421.34589	4.0
423.36182	36.0
435.23676	1.3
441.37329	8.4
487.30890	1.5
547.22552	0.8
563.37115	2.1
581.38354	22.8
599.39398	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.8
53.03935	1.9
55.05510	14.1
57.03436	2.7
57.07079	5.6
57.97992	1.0
62.79520	1.1
65.03944	2.2
67.05505	27.6
69.03437	2.1
69.07069	19.1
70.01692	1.2
71.01353	2.0
71.04966	1.1
71.08628	1.6
73.02914	8.9
77.03928	1.5
79.05496	18.8
81.07054	52.0
83.01328	1.7
83.04996	1.5
83.08618	10.2
85.02902	16.5
91.05467	21.0
93.07042	42.3
95.01329	4.7
95.04969	4.1
95.08606	100.0
97.02923	1.4
97.06546	1.4
97.10154	5.3
98.20711	2.7
101.02343	2.3
103.03944	3.3
103.05516	1.2
103.43346	1.0
105.07026	48.7
105.44720	1.2
107.08591	76.5
109.06525	3.2
109.10154	66.6
111.08054	6.9
111.11707	2.5
113.02370	2.6
115.05509	1.4
115.13795	1.2
117.07042	6.4
119.08575	66.2
120.08939	1.1
121.06513	1.0
121.10137	58.5
123.08049	3.0
123.11703	26.2
125.09686	2.2
128.06238	1.5
129.07036	2.1
130.07799	2.2
131.03403	4.5
131.08557	22.4
133.06451	1.3
133.10127	57.4
135.11691	47.2
136.81415	1.1
137.09595	2.8
137.13235	10.7
139.11205	6.9
141.01810	8.2
142.07817	2.0
143.08592	8.6
144.09348	2.5
145.10115	30.3
146.09254	1.1
147.11685	40.8
149.13268	33.4
151.11156	2.7
151.14842	3.7
155.08545	1.6
156.09383	2.6
157.10121	10.6
158.10918	1.9
159.02917	4.0
159.11696	34.9
159.13028	2.2
160.12393	1.7
161.13248	37.5
163.11215	3.9
163.14809	24.3
165.12766	4.3
169.10098	3.6
170.10835	2.4
171.11690	12.6
172.12389	1.9
173.13257	26.3
174.13963	1.6
175.14816	34.1
177.12791	3.1
177.16386	25.9
181.10179	1.4
183.11725	4.1
184.12398	1.5
185.13269	9.7
186.14072	1.5
187.14807	24.1
187.16389	1.6
189.16383	37.6
191.14317	4.9
191.17935	13.4
193.15895	2.6
195.11650	1.2
195.17525	1.2
197.13290	4.8
199.14801	9.3
201.16379	26.7
203.17957	40.4
205.15849	4.3
205.19522	4.4
207.17480	7.1
209.13313	2.1
211.14806	3.4
213.16394	9.2
215.17949	27.0
215.19890	2.3
217.15979	1.4
217.19511	22.3
219.03960	1.2
219.17439	12.1
219.21008	1.5
221.18962	7.5
223.14845	1.6
225.16360	2.7
227.17924	11.3
229.19508	35.4
231.17450	2.8
231.21103	4.6
233.19037	9.4
239.18056	2.6
241.19548	10.2
243.20963	6.5
245.18964	5.5
247.20544	20.2
253.19392	2.4
255.20988	6.8
257.22672	10.2
259.20752	1.9
261.22165	2.8
263.12570	1.4
267.20996	4.8
269.22549	7.1
271.24265	3.8
273.22107	3.4
275.23749	5.2
279.20984	1.3
281.22708	3.9
283.24149	4.9
285.22012	1.5
287.23679	3.9
290.25232	1.2
295.24289	2.5
297.25729	1.8
299.23743	1.9
301.25232	2.7
307.24426	1.2
311.14752	2.6
311.27237	1.3
313.25317	2.3
329.28357	1.6
335.27573	1.3
351.17978	6.3
363.30673	1.8
365.19482	3.1
365.31934	4.1
369.31848	1.3
377.19293	1.7
379.21017	2.0
381.31339	1.9
383.33051	3.5
391.21323	1.3
403.33832	2.7
405.35168	20.9
411.36429	1.4
419.24432	2.3
421.34698	3.8
423.36243	30.6
441.37494	9.0
563.37433	1.8
581.38422	21.3
599.30304	2.0
599.39557	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	599.2853
Annotation	HEMATOPORPHYRIN
Peak:m/z	Relative Intensity
50.93185	0.2
55.05499	0.4
63.69533	0.2
67.01859	0.3
67.05488	0.5
67.23579	0.2
68.99792	0.4
69.07067	0.2
69.86488	1.0
71.08640	0.2
72.17347	0.2
79.05476	0.4
81.07035	0.4
84.04549	0.2
86.09650	0.2
89.03938	0.2
91.05511	0.3
93.07041	0.3
95.08640	0.4
98.21454	0.2
104.08714	0.2
105.07026	0.3
107.08614	0.4
109.10171	0.4
117.03415	0.2
119.08583	0.4
121.10088	0.2
129.07126	0.2
135.04411	1.9
137.02335	0.6
137.05974	0.3
153.01820	5.4
157.10178	0.2
161.02333	0.4
171.02907	1.1
173.11703	0.3
179.03366	0.3
213.05392	0.2
229.05165	0.2
241.04962	0.8
257.04529	0.4
258.05206	0.5
259.05984	0.3
269.04407	0.6
276.26282	0.2
286.04794	1.2
287.05484	100.0
288.05814	0.5
297.03833	0.2
299.05579	0.6
311.05435	0.2
323.05518	0.3
409.16385	1.6
435.17963	0.2
463.17548	2.0
473.66095	0.2
481.18570	4.1
563.26379	1.3
581.27301	1.7
599.28308	1.3
599.39270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95900	0.7
55.01871	2.5
56.05047	0.9
56.96545	1.0
57.03431	3.2
58.71618	0.7
59.43422	0.8
59.62851	0.6
60.05652	0.8
63.17857	0.8
68.01398	1.8
68.03780	1.7
68.05020	1.8
69.03425	3.7
69.64492	1.2
69.64820	5.7
70.02947	1.9
70.06594	6.7
72.08152	1.2
73.02893	2.0
75.65705	0.7
79.05513	0.9
81.04567	0.8
83.04992	1.3
83.06082	1.0
84.04520	1.3
84.08166	3.1
85.02898	3.8
85.04023	1.5
86.09710	0.9
89.03426	1.0
89.03906	4.6
95.02472	2.2
96.03241	9.1
97.02950	13.6
97.04013	65.6
100.07624	1.9
107.04974	2.3
109.03990	2.3
110.04802	1.9
111.05556	6.5
113.03480	10.6
114.04272	23.1
115.05048	37.5
116.98606	0.7
117.03349	5.8
121.03933	1.0
123.04458	1.1
123.05553	1.0
127.05044	1.8
128.07097	3.5
129.10243	0.9
133.02898	2.0
133.04984	1.4
135.04431	11.8
135.05447	1.6
137.03485	2.3
137.07076	0.8
139.05019	10.6
145.02847	11.1
155.04558	2.6
157.06084	13.4
159.04347	1.2
161.05956	1.4
163.03902	100.0
164.04341	1.1
165.06625	1.2
173.02336	20.4
177.05382	1.0
179.03264	0.9
181.06100	1.8
182.55557	0.7
183.04314	0.9
186.05626	3.7
187.03963	1.3
187.07068	1.6
188.03444	1.3
191.03329	1.9
193.06110	10.4
209.05583	0.9
210.06326	1.8
211.07133	16.1
214.04988	6.8
229.06100	1.8
229.08173	1.9
232.05957	1.1
245.07729	1.4
246.08479	2.3
247.09250	12.3
249.07866	0.8
257.05557	35.7
275.06616	49.7
283.62823	0.8
287.92545	0.8
299.06714	1.7
305.07648	0.9
317.07779	2.1
337.41272	0.9
341.07724	2.0
353.07675	1.9
371.08701	3.4
382.31107	0.9
389.09848	13.1
407.10748	1.5
437.24207	5.5
449.12000	1.0
565.06952	0.9
599.29504	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	599.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03422	0.9
61.02908	0.7
62.90743	0.4
68.01376	1.5
68.03763	0.7
69.03436	2.5
69.04539	0.5
69.45488	0.5
69.56628	0.9
69.57036	3.0
70.02940	1.4
70.06580	2.5
71.01357	0.6
72.08104	0.5
73.02908	1.8
78.33872	0.4
79.05498	0.5
80.05027	0.5
81.04530	0.9
83.04995	0.6
84.04481	0.7
84.08134	0.6
85.02901	2.3
85.04019	1.6
86.09685	0.5
89.03917	5.5
95.02438	1.6
95.04959	0.4
96.03232	6.1
96.04475	0.6
97.02921	18.6
97.04010	50.9
98.21571	0.7
100.07620	0.5
107.04940	1.4
109.04001	1.8
109.16825	0.5
110.04748	1.1
111.05569	3.3
113.03486	7.0
114.03456	0.8
114.04271	15.4
115.03930	2.0
115.05056	30.5
116.98655	0.5
117.03381	4.3
123.05547	0.5
127.05048	1.4
129.10278	0.6
131.04659	0.6
133.02840	0.9
133.04999	1.0
135.04430	12.1
135.05449	0.8
137.03479	2.7
139.05026	5.5
139.57483	0.4
145.02838	11.9
151.05005	0.6
155.04517	1.7
156.05249	1.0
157.06070	4.8
158.06099	0.7
159.04419	0.5
163.03899	100.0
164.04253	1.0
165.06567	0.8
173.02339	19.1
179.04674	0.5
180.05428	0.5
181.06073	1.9
183.04361	1.0
186.05492	4.8
187.03920	1.4
188.03433	1.8
191.03391	1.6
191.04770	0.7
193.06064	4.4
199.07138	0.7
209.05545	0.9
210.06363	2.1
211.07126	8.1
214.04990	8.5
228.07365	0.9
229.08195	0.8
237.03038	0.5
245.05508	0.7
245.07790	1.0
246.08487	1.1
247.09274	6.5
257.05582	37.7
258.05988	0.6
273.30753	0.4
275.06616	52.8
276.07141	0.6
293.07727	1.3
299.06787	1.0
317.07739	1.8
323.06592	1.0
341.07639	2.5
353.07642	1.3
359.08911	0.6
371.08762	5.5
389.09818	6.0
407.10855	2.4
449.11990	0.8
477.11191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75440	0.8
56.96553	0.9
60.04514	2.6
67.05483	1.3
69.03427	0.9
71.17587	1.0
72.04530	1.1
74.82236	0.9
76.09858	0.8
79.05496	1.2
79.61321	0.9
81.03418	1.0
81.07052	2.4
85.02921	1.5
86.09703	100.0
95.04977	1.3
95.08639	1.1
97.06567	0.9
98.09684	11.1
99.05579	3.1
115.05160	0.9
117.06608	1.9
126.09167	1.6
127.05029	8.5
128.10689	1.2
135.79973	0.9
137.03397	1.0
139.05023	3.0
143.11797	17.5
144.07697	1.1
145.06125	3.4
154.15901	6.4
155.11771	1.4
156.07695	2.6
167.11743	3.3
171.11296	8.8
183.11324	3.9
184.07202	6.8
185.12883	5.0
195.11324	3.8
196.07307	1.0
199.18086	1.8
201.09895	1.3
202.08179	1.8
211.18040	20.1
211.19919	1.6
212.14027	1.4
213.09944	1.0
213.12289	4.3
222.12453	1.5
224.13963	1.4
227.17584	1.2
228.13521	2.3
239.17465	7.8
240.13461	3.1
241.09389	1.9
242.15152	1.4
252.13420	8.7
258.14468	1.8
259.10223	1.2
269.16101	4.5
270.14499	6.1
284.19778	1.9
287.17151	3.0
296.19809	1.7
297.15567	3.1
309.15582	1.4
315.16525	3.3
326.18140	1.6
332.16159	1.1
336.15948	0.9
341.21829	2.4
344.19308	1.7
352.25861	1.4
353.22083	0.9
354.17743	2.1
355.23499	2.5
365.21848	2.2
372.18729	2.1
383.22864	7.6
391.27649	1.0
400.25540	3.9
409.27884	1.1
410.24066	4.7
422.24020	1.5
426.30652	1.3
428.24722	2.4
439.26505	1.8
440.24915	3.8
449.25110	2.8
454.30429	1.4
457.27701	5.6
467.26138	13.7
485.27255	9.2
496.31281	6.7
525.33990	1.9
535.32544	1.2
552.34705	3.4
553.33423	3.7
562.33508	5.8
570.36127	15.0
580.34521	21.9
598.35358	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	598.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01858	3.6
55.05306	1.8
55.05515	19.4
57.03425	6.0
57.07077	11.5
57.56062	1.8
61.02917	2.3
63.16982	2.1
67.05505	82.3
69.03420	2.5
69.07067	23.7
71.08622	6.0
73.02895	3.6
79.05489	24.2
81.03378	2.6
81.06573	4.8
81.07053	100.0
83.04980	2.3
83.08619	26.3
85.02914	3.8
85.06528	4.3
90.90124	1.9
91.05480	18.8
93.07043	35.4
95.04977	4.5
95.08605	84.2
97.06531	7.0
97.10162	13.2
98.20744	6.2
99.08078	3.1
105.07014	17.9
107.08586	25.4
109.02837	4.3
109.10150	46.5
110.03672	3.7
111.08067	5.3
111.11687	5.1
119.08573	16.8
121.10133	27.6
123.08048	3.4
123.11705	21.5
127.03909	5.2
131.08614	3.4
133.10115	16.4
135.11668	14.1
137.05995	2.2
137.13248	7.4
140.56317	2.2
141.12703	3.0
145.10130	4.3
147.11691	13.5
149.13251	13.3
149.99052	2.2
151.14815	7.3
155.14316	4.4
161.13228	17.1
163.14839	11.6
165.16368	8.5
167.10764	2.9
169.26053	2.2
175.14807	12.4
179.17924	11.9
189.16483	5.8
191.00040	3.0
227.80356	2.1
245.22650	68.1
263.23685	87.7
264.23886	2.5
281.24612	2.5
337.27399	42.8
355.28406	5.9
378.40100	2.3
563.28583	5.9
598.39050	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03932	1.8
55.01872	1.2
55.05502	1.7
56.96558	1.4
60.04514	2.3
61.02924	1.4
67.05505	1.5
69.00999	1.1
69.03426	3.7
69.07068	1.2
70.06595	2.6
71.04993	1.6
73.02905	2.2
79.05503	6.3
81.03408	12.9
81.07047	4.0
84.08151	1.8
85.02912	11.6
85.06503	1.9
86.09698	1.6
91.05464	4.1
93.07034	2.0
95.04944	2.7
95.08598	4.0
97.02890	3.8
97.06542	1.7
105.07021	3.8
107.04980	8.0
107.08541	1.4
109.02868	1.7
109.06494	1.5
115.05450	6.4
117.07026	15.6
118.01213	1.5
119.08570	2.6
123.04424	3.1
124.05189	1.3
125.06004	2.5
127.03912	2.7
128.52448	1.2
129.06998	3.5
131.04909	1.5
131.08569	3.2
141.06995	1.7
144.05702	3.0
145.04837	1.3
145.06488	31.5
147.04401	1.3
152.04776	1.8
153.05467	1.7
155.06024	2.9
156.05685	4.9
157.06454	2.4
159.08081	4.8
160.05183	1.6
161.05972	4.3
161.13232	2.5
167.07040	50.1
172.93541	1.2
173.05989	61.6
175.07558	1.7
180.08748	5.8
183.06514	1.7
184.05113	2.1
187.07509	8.5
190.06250	33.0
191.07024	3.2
193.08577	3.1
202.06230	3.9
203.07065	6.9
205.08600	100.0
206.09000	1.2
217.06512	2.5
217.08607	43.6
218.07275	1.4
219.10159	3.1
223.09627	2.8
224.00157	1.1
229.08556	1.4
233.09483	1.6
235.07452	1.2
235.09631	30.5
247.07480	1.6
247.09749	7.1
265.10724	33.0
266.13687	1.2
269.07870	1.6
270.03769	1.3
271.18991	1.6
277.08716	1.3
280.11023	1.2
291.10141	2.0
315.08652	3.5
323.12567	1.4
330.10959	6.6
331.11783	1.9
336.09583	1.7
351.12201	4.5
371.14911	2.1
383.14941	11.4
391.77145	1.3
401.15945	9.6
466.08243	1.4
469.24191	2.1
618.44708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68438	1.3
53.03937	3.8
53.83609	1.3
54.47181	1.2
54.96469	1.2
54.98867	1.2
55.05510	13.9
57.03413	4.0
57.07082	6.4
65.03933	2.9
67.05501	27.7
69.03423	4.8
69.07062	19.8
69.62332	9.8
71.01331	2.0
73.02615	1.3
73.02918	14.2
79.05483	23.1
81.07054	54.9
81.19725	1.2
83.05000	6.9
83.08622	10.0
85.02897	19.2
85.06532	1.9
91.05474	28.5
93.07039	68.4
95.01324	2.3
95.04962	7.1
95.08602	100.0
97.06523	17.6
97.10134	2.6
98.98444	3.5
99.08134	1.6
101.02372	4.8
103.03925	6.3
105.07025	57.1
107.08588	91.2
107.11794	1.5
109.06525	7.2
109.10149	54.8
111.08083	7.6
113.02390	2.4
113.09630	1.7
117.07034	9.1
119.08577	76.7
121.10139	69.0
123.08058	4.8
123.11709	19.9
125.09637	7.0
128.06194	2.3
129.06976	5.3
130.07817	2.3
131.03461	2.0
131.08565	27.7
133.10121	70.2
135.08096	3.3
135.11687	60.0
137.09605	6.2
137.13286	8.7
139.11171	29.2
141.01784	2.4
141.06963	1.7
142.07750	4.0
143.08537	15.9
144.09312	3.8
145.09024	3.0
145.10118	43.1
146.10980	1.2
147.08041	2.0
147.11681	38.7
149.09680	3.1
149.13254	53.6
150.53166	1.3
151.11185	4.6
151.14778	3.1
155.08524	5.2
156.09360	3.9
157.10100	20.9
158.10899	2.4
159.02853	3.2
159.11681	46.2
161.09631	2.9
161.13254	40.9
163.11172	12.0
163.14809	12.6
165.12756	6.3
167.08429	1.8
167.14330	2.6
169.10143	8.6
170.10840	2.9
171.11691	22.2
172.12473	1.7
173.09677	1.9
173.13252	30.7
175.11272	2.9
175.14816	35.5
177.12755	6.4
177.16368	20.5
179.14345	2.8
182.10954	2.7
183.11652	11.4
184.12555	2.2
185.13231	16.3
187.11180	2.6
187.14810	25.8
189.12717	3.9
189.16379	30.7
189.18039	2.0
191.14305	9.2
191.17934	6.7
193.15848	2.8
193.19276	1.5
195.11739	4.3
197.13234	6.5
199.14822	16.9
201.12804	2.7
201.16368	23.8
203.14330	6.1
203.17929	14.6
205.15845	10.1
207.17352	2.3
209.13295	2.0
211.10950	1.5
211.14812	5.8
213.16344	13.5
215.14417	2.5
215.17952	22.1
217.15906	3.0
217.19449	5.1
219.17415	21.9
225.16403	8.4
227.17921	27.3
229.15932	2.7
229.19531	10.2
231.17482	8.5
233.19026	9.3
237.16296	3.5
239.17964	5.9
241.19537	8.0
243.17444	4.7
243.21085	5.6
245.18997	55.8
251.17923	2.8
253.19521	5.1
255.21066	8.4
256.21399	1.6
257.18991	5.8
257.22610	3.1
259.20511	10.0
267.21075	6.5
269.22748	6.5
271.20581	10.7
273.22144	15.6
279.21204	2.7
281.22696	3.2
283.20520	8.2
283.24005	2.9
285.22153	19.1
287.23663	1.9
293.13696	2.8
297.22034	3.9
299.23645	11.0
309.25745	2.6
311.14908	4.1
311.23483	2.8
313.25211	3.1
325.25034	1.5
327.26678	2.9
351.18082	7.7
363.30478	5.5
365.19553	8.3
377.19577	1.6
379.29782	1.8
381.31482	6.5
403.33295	8.0
405.22739	2.5
419.24210	3.3
419.33365	2.8
421.34634	47.4
431.24487	6.7
439.35681	12.2
445.25662	2.4
561.35498	2.5
579.36865	13.3
597.37854	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	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03951	1.6
54.68488	0.8
54.80899	0.9
55.05511	14.0
57.03433	7.9
57.07063	2.8
57.34641	0.9
65.03935	1.0
67.05502	26.1
69.03426	1.3
69.07066	13.7
70.74331	1.8
71.04979	1.2
71.08633	1.0
79.05483	8.4
81.03410	9.2
81.07052	26.2
81.87533	0.8
83.04990	1.5
83.08620	8.8
85.02889	1.9
85.06557	1.2
89.14252	0.8
89.33318	0.8
91.05494	6.2
93.07039	10.3
95.04976	2.6
95.05556	0.8
95.08600	19.7
95.09159	1.6
97.06544	1.7
97.10166	4.1
98.98459	20.4
100.14721	0.8
105.07011	5.5
107.08588	6.9
109.02887	6.0
109.06552	1.1
109.10143	7.1
110.46223	1.0
119.08595	6.5
121.10137	6.0
123.11678	2.4
125.09607	1.1
127.03907	1.9
131.08531	1.8
133.10126	4.0
135.11670	2.4
137.09653	1.1
139.11143	0.9
145.10126	1.3
147.11703	3.8
151.14796	1.0
155.01028	2.0
157.10106	1.3
159.08199	1.1
159.11667	1.4
161.13240	1.9
163.05986	1.8
163.14798	1.4
167.10606	1.3
173.02115	1.1
173.13274	1.5
183.11732	1.3
193.10027	1.0
203.14342	1.0
205.54219	1.0
209.13422	1.1
221.15343	1.3
233.15479	1.0
245.22533	1.0
261.03754	8.7
263.23648	2.5
287.47366	0.9
335.07306	3.1
337.27347	100.0
579.38171	1.1
597.39349	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	597.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.9
56.96549	7.9
61.02928	7.9
67.05454	7.4
69.03421	13.7
70.02949	18.5
70.06585	19.8
71.60318	12.9
79.05482	8.7
81.03421	14.9
81.07054	14.8
85.02898	22.2
85.07683	8.2
86.09654	7.1
87.05582	100.0
87.09232	31.2
91.05437	13.6
93.07037	10.1
95.08630	8.6
97.02882	20.6
105.01888	7.1
105.07043	20.2
107.04926	12.7
109.02870	13.1
127.03905	15.9
129.06995	12.6
131.08562	12.8
143.08574	33.9
145.10124	18.6
166.07791	8.0
171.11717	70.3
173.72765	7.6
181.05006	10.5
199.11140	38.5
217.12183	76.5
245.11763	25.4
246.29945	8.1
263.12738	8.7
303.05029	10.8
464.28769	10.6
553.25598	30.4
597.25073	82.4
597.34528	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	597.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
59.19471	0.1
61.02911	0.3
67.05486	0.2
68.99799	0.2
69.03409	0.4
69.61981	0.8
70.06579	0.4
72.08144	0.2
72.60005	0.1
73.02913	2.0
81.03390	0.4
84.08132	0.2
85.02898	0.9
86.09691	0.2
91.05444	0.1
97.02876	0.4
99.04488	0.1
99.24953	0.1
105.03384	0.2
105.07008	0.2
109.02884	0.3
111.04587	0.1
115.03939	0.3
123.04430	1.8
127.03936	0.2
133.02843	1.4
147.04422	0.2
151.03906	5.9
153.01820	30.0
154.02122	0.2
167.07030	0.4
181.04922	0.2
205.04982	0.4
302.04126	0.2
303.04974	100.0
304.05347	0.9
313.03433	0.4
345.05844	0.2
380.99603	0.1
417.15613	0.1
435.09232	2.2
435.15338	0.2
465.10284	29.4
466.10672	0.3
541.92401	0.1
597.14160	2.8
597.21967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1452
Annotation	Quercetin 3-glucosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
52.30323	0.6
57.66306	0.5
67.05490	0.7
68.99792	0.8
69.03437	0.9
70.06584	4.1
70.59317	2.1
72.08157	1.3
78.09345	0.5
84.08142	1.2
85.02884	0.8
86.09677	1.0
97.02910	0.7
97.06403	1.1
98.20727	0.6
109.02871	0.6
110.07133	0.9
120.08071	1.0
123.04425	1.9
129.10211	1.2
133.02829	1.6
137.05968	0.9
137.08223	3.0
145.13020	0.6
151.03937	6.0
152.33641	0.6
153.01831	28.6
163.41298	0.6
167.07074	1.6
171.06381	0.5
177.06691	0.8
180.47260	0.6
237.02852	1.9
273.11230	1.2
302.03958	0.7
303.04996	100.0
396.01587	0.6
413.11093	1.8
435.09204	18.2
455.12320	0.7
465.10114	1.4
548.85645	0.6
597.14648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1449
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03418	0.5
61.02917	0.2
62.63799	0.1
68.99781	0.2
69.03107	0.2
69.03424	1.6
69.27257	1.6
69.50945	0.1
70.06570	0.3
71.04938	0.1
73.02895	0.4
81.03409	0.3
81.07037	0.2
85.02899	1.9
87.04440	0.5
95.01322	0.2
95.04976	0.2
95.08584	0.3
97.02891	1.0
107.04916	0.3
109.02881	0.2
115.03915	0.5
121.06459	0.2
123.00784	0.8
123.04433	1.6
127.03880	0.4
133.02844	1.2
135.04407	0.7
136.07487	0.2
137.05988	0.2
141.01849	0.2
149.06036	0.2
151.03902	5.2
151.05113	0.3
153.01817	25.2
161.05930	0.1
167.07045	0.5
169.01385	0.5
181.04962	0.2
205.04929	0.2
235.92703	0.1
253.09743	0.2
257.04437	0.3
285.03897	0.6
286.01096	0.2
302.04227	0.4
303.04968	100.0
304.05261	1.1
313.03415	0.6
320.13699	0.2
339.09531	0.3
345.06131	0.4
364.38065	0.2
389.13446	0.2
417.15759	0.2
435.09149	0.4
465.10275	41.4
466.10583	0.6
547.15625	0.3
597.14355	5.6
597.21429	0.3
597.47046	0.3
598.13049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
65.84713	0.2
69.03439	0.3
69.09809	0.2
69.67241	0.8
69.67666	1.2
70.06606	0.5
73.02914	0.4
84.08157	0.3
86.09754	0.3
86.37063	0.3
123.04465	1.4
133.02840	1.5
151.03900	5.5
153.01822	25.6
167.07106	0.4
172.80150	0.3
202.92740	0.3
205.05099	0.3
274.79178	0.3
279.60153	0.3
303.04987	100.0
304.05331	0.7
337.42551	0.3
369.43298	0.3
400.84415	0.3
435.09232	21.5
436.09943	0.5
465.10266	2.0
597.14252	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1448
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03426	0.2
61.02916	0.3
68.99788	0.2
69.03418	0.2
71.32545	0.1
71.32861	0.1
73.02914	1.5
81.03403	0.2
85.02887	0.3
97.02922	0.1
105.03373	0.1
109.02855	0.2
115.03907	0.1
116.98629	0.1
123.04426	1.6
133.02846	1.1
151.03899	4.7
153.01819	23.8
154.02110	0.1
156.79056	0.1
167.06992	0.1
205.04968	0.2
245.43968	0.1
261.03970	0.2
302.03909	0.2
303.04974	100.0
304.05292	1.3
313.03491	0.2
313.61316	0.1
427.13843	0.1
435.09219	12.0
436.09671	0.2
465.10294	3.1
597.14343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01871	3.6
55.05510	12.6
57.03442	2.7
57.07074	2.8
62.24261	1.5
65.03926	2.0
67.05505	60.9
69.07070	9.6
70.67628	5.4
71.05004	2.3
72.45998	1.4
79.05053	2.9
79.05492	41.1
81.03398	2.2
81.07055	70.5
83.08620	7.4
85.02915	2.3
85.06548	2.0
88.06837	1.5
88.92942	1.8
91.05476	16.3
93.07043	52.4
95.04974	3.7
95.08607	51.1
97.06526	4.5
97.10173	4.1
99.04461	3.0
105.07024	16.7
107.08592	31.9
109.02876	5.5
109.10150	28.9
110.03684	3.3
111.08097	3.3
117.07014	7.8
119.08568	11.3
121.10136	38.4
123.11681	15.0
125.09673	2.5
127.03925	3.4
131.08560	18.7
133.10136	14.5
135.11708	25.9
137.13225	8.4
139.11198	2.1
145.10123	16.7
147.11688	12.1
149.13260	22.9
151.11223	3.4
151.14824	3.3
159.11671	15.5
161.13239	9.8
163.14833	17.3
165.12799	1.8
171.11740	1.8
173.13287	17.4
175.14806	3.0
177.12762	2.4
177.16362	8.1
179.14316	3.4
187.14812	6.5
191.00095	4.1
201.16499	2.6
219.17523	2.1
233.22685	3.1
243.21095	34.6
261.22141	100.0
263.23730	3.1
279.23239	2.9
335.25769	20.3
353.26923	28.7
561.26898	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	596.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.05508	17.7
56.05040	3.9
57.03446	10.5
57.98802	2.3
58.99582	39.0
60.04518	8.9
61.01152	2.6
65.03941	2.0
67.05164	2.9
67.05503	35.7
69.03432	1.9
69.07067	16.9
70.06576	2.7
70.93346	2.7
70.93671	3.6
71.05000	15.3
74.00674	2.1
74.06075	2.1
76.01814	3.4
76.02222	38.1
76.04009	7.9
79.05485	24.7
80.05019	2.0
81.07059	80.4
83.04967	4.5
83.06096	10.4
83.08616	15.2
84.04501	25.5
84.08112	1.5
85.01120	2.7
85.02912	4.1
85.06541	16.8
86.09712	1.7
86.99046	19.7
87.02696	7.8
87.04462	2.7
88.02217	10.9
91.05482	22.8
92.07113	2.1
93.07043	26.9
95.04951	5.4
95.08608	96.6
97.01090	3.6
97.06536	26.0
97.10170	6.6
99.02676	4.2
99.05568	4.9
99.08084	10.5
101.04218	2.7
102.05531	3.3
104.07126	2.9
105.07027	31.0
107.08598	13.8
109.06539	5.1
109.10166	12.6
111.02673	5.9
111.08058	9.9
113.04239	4.1
113.09637	3.8
114.03749	3.8
115.02137	2.2
115.07566	1.9
116.01673	100.0
117.06997	2.2
117.92796	1.8
119.08578	38.7
121.10143	10.2
123.08065	6.3
125.04265	2.2
126.77979	1.8
127.05821	2.1
129.06573	15.1
130.05014	9.5
131.08508	2.3
133.03154	2.3
133.10121	25.2
134.63539	1.9
135.11661	14.9
137.09692	2.4
137.13271	11.7
142.03232	24.9
144.01138	39.9
145.05055	2.0
145.06067	6.7
149.13284	4.5
150.92624	1.9
156.36755	2.0
161.02686	2.0
161.13254	67.5
162.02199	90.7
167.14339	1.9
170.02728	8.1
177.03310	3.4
178.15921	2.1
179.04839	4.8
179.14308	65.8
181.06213	3.5
186.07639	5.4
187.05357	5.9
197.15384	21.7
199.07111	2.2
204.08713	5.9
218.04817	16.6
233.05878	3.6
236.05798	3.1
237.13057	2.6
241.18178	1.9
245.05995	6.0
253.17976	5.8
255.14114	9.0
271.19043	67.7
272.16766	13.9
300.16229	12.6
329.17798	14.8
330.26544	3.1
340.15698	4.1
346.20572	3.7
347.18808	20.6
358.16818	8.8
364.21063	2.2
374.20212	3.5
375.19302	2.4
376.17670	3.7
382.22250	3.3
401.21121	3.9
414.19662	4.1
429.20392	4.0
431.22092	4.1
432.20575	20.2
449.23080	44.5
450.21597	15.8
458.22067	2.0
467.24231	67.5
503.24326	19.8
504.23602	2.8
515.24121	2.8
521.25287	40.3
557.73322	2.0
578.27246	17.8
579.25580	3.6
596.28412	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	596.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05510	10.7
57.03433	4.4
57.07053	2.0
57.98792	2.6
58.99584	40.8
61.01150	2.4
67.05503	32.3
69.03411	1.6
69.07062	17.9
69.60972	6.8
69.61394	3.4
70.02956	1.8
71.04985	13.8
73.01149	2.9
73.06570	1.8
74.00676	2.0
76.02222	36.7
76.03998	5.5
79.05482	19.9
80.05011	1.9
81.03905	1.5
81.07053	68.6
83.04976	4.5
83.06115	8.8
83.08611	12.0
84.04494	16.3
84.08132	1.6
85.01115	2.7
85.02901	1.8
85.06542	14.8
86.99042	23.4
87.02695	7.9
88.02214	8.1
91.05479	24.3
93.07035	26.2
95.04964	3.3
95.08600	78.1
97.01105	3.1
97.06514	25.3
97.10164	4.5
98.20795	3.3
99.02692	2.9
99.05593	6.2
99.08103	9.3
101.04221	2.1
105.07020	25.0
107.04959	1.8
107.08589	12.3
109.06525	2.8
109.10163	8.7
111.02660	5.7
111.08080	6.5
113.04200	4.5
113.09643	2.3
114.03728	2.9
116.01672	100.0
117.06967	1.9
119.08574	35.0
121.10160	10.1
123.08067	4.2
123.43221	1.5
127.04991	2.0
127.05795	1.9
129.06567	12.6
130.05000	5.6
131.08554	2.3
131.32756	1.4
133.10124	26.6
135.11691	13.0
137.04231	1.7
137.09612	3.3
137.13199	7.7
141.04813	2.2
142.03227	21.4
143.08475	2.0
144.01129	40.7
145.06073	6.7
146.14328	1.5
149.13252	5.8
153.06496	2.3
159.11710	1.5
161.13252	66.3
162.02193	90.9
167.14294	2.5
170.02718	5.5
177.03229	1.9
179.04884	5.0
179.14294	53.0
179.15814	3.2
181.06168	2.0
187.05356	2.3
197.15337	20.2
199.07079	1.6
208.45598	1.4
211.11563	1.9
215.16396	1.7
218.04854	8.8
233.05995	1.7
236.05913	3.3
237.13065	3.6
245.05852	3.4
253.17947	4.9
254.15752	1.6
255.14136	9.4
271.19006	64.8
272.16718	8.6
289.20236	2.1
300.16241	6.3
329.17859	16.9
340.15866	4.8
347.18866	14.6
358.16849	9.0
364.21567	2.1
381.99823	1.8
401.21109	2.8
414.19424	3.3
429.20950	2.8
432.20511	24.7
449.23044	10.0
450.21536	16.6
467.24207	91.7
503.24091	6.8
504.23178	4.3
521.25220	54.6
521.32971	3.4
578.26898	8.7
596.28290	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	595.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.8
55.31458	0.3
57.03419	0.4
67.05460	1.7
69.07043	0.6
70.21619	1.3
70.21969	0.6
70.92561	0.5
77.90171	0.4
79.05440	1.2
81.03349	0.6
81.07060	2.8
91.05435	1.1
93.06995	1.7
95.04941	0.4
95.08604	1.8
98.59770	0.4
98.98418	1.3
104.10733	0.6
105.06993	0.9
107.08525	1.5
109.10109	1.0
113.03404	0.3
119.08527	0.7
121.10078	1.3
123.11710	0.4
131.08502	0.7
133.10088	0.6
135.11668	0.9
159.11600	0.6
160.64114	0.4
161.13145	0.5
184.07425	0.4
185.04237	1.9
187.14787	0.4
199.74782	0.4
226.03934	0.4
237.13066	0.5
243.14345	0.5
243.20964	0.8
255.14429	1.7
261.22083	1.7
287.05542	1.0
335.25839	3.4
353.26285	0.6
433.29257	86.1
434.29501	2.4
595.34503	100.0
596.34692	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.2
56.96566	12.3
62.87093	9.3
67.05496	23.7
69.03435	17.6
69.07060	35.7
69.08295	9.3
69.37881	100.0
71.08607	9.7
79.05459	18.7
81.03396	13.2
81.07050	62.6
83.04987	13.1
83.08620	23.2
85.02888	33.0
91.05461	19.6
93.07034	15.3
95.04932	12.4
95.08605	66.0
97.02866	20.7
97.06542	13.1
105.01849	14.2
105.07008	12.7
107.08596	14.3
109.10130	28.0
111.11784	14.5
121.10078	16.5
123.11720	19.2
127.03934	17.3
135.11696	14.2
137.13269	13.7
149.13350	11.0
189.42151	9.9
198.25970	9.4
281.28464	21.1
287.05344	19.2
348.60114	11.5
429.17593	12.4
473.09668	10.5
591.52795	9.8
598.47705	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	595.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.05512	9.1
57.03440	7.2
57.07064	1.3
65.03926	2.0
65.24332	1.1
67.05504	38.9
69.07063	9.1
71.04986	2.2
71.05988	3.2
79.05490	18.0
80.61053	1.2
81.03412	10.9
81.07055	30.6
83.08607	4.3
85.02895	2.2
91.05479	8.9
93.07046	20.9
95.08047	2.2
95.08604	25.6
97.02966	1.4
98.98464	25.8
99.04440	2.9
105.07043	8.6
107.08598	10.6
109.02872	9.8
109.06503	1.3
109.10141	11.2
117.07025	3.0
119.08582	6.1
121.10148	8.0
123.11692	2.4
131.08571	3.7
133.10138	4.4
135.11713	4.6
145.10078	3.1
147.11674	3.2
149.01128	1.2
149.13206	2.3
155.01007	3.2
159.11685	1.5
161.13194	2.6
173.02005	1.3
173.13217	1.3
177.00644	1.2
213.51559	1.1
243.21100	3.4
261.03693	10.6
261.22113	5.6
273.92166	1.0
287.05484	6.0
304.26306	3.9
317.24670	1.5
329.59265	1.1
335.07291	3.3
335.25787	100.0
358.16116	2.1
358.66229	1.5
535.28210	1.5
595.34467	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	595.1657
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03951	0.1
53.54231	0.1
57.03419	0.5
67.01860	0.4
68.99482	0.1
68.99805	0.2
69.48569	0.4
69.48996	0.5
71.04996	3.9
75.04482	0.1
83.04986	0.2
85.02907	4.2
97.02869	0.1
98.26476	0.1
107.04987	0.6
111.00786	0.1
111.04422	0.2
127.03877	0.2
129.05470	1.0
135.04402	1.0
137.02348	0.4
147.06544	0.2
153.01825	3.2
161.02322	0.4
171.02890	0.7
179.03404	0.2
206.64418	0.1
235.48840	0.1
241.04909	0.3
269.04395	0.1
271.06027	0.3
287.05493	100.0
288.05850	1.4
449.10815	13.4
449.15833	0.2
449.17365	0.3
450.11282	0.2
533.12201	0.1
590.78845	0.1
595.16022	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	595.1655
Annotation	Pelargonin
Peak:m/z	Relative Intensity
56.79811	0.2
61.02901	0.2
69.03427	0.6
69.82246	1.3
85.02908	1.8
93.61532	0.2
93.62257	0.2
97.02907	0.3
98.21379	0.4
119.04938	1.3
121.02826	0.5
127.03894	0.4
145.02844	0.6
145.04956	0.3
153.01845	2.9
163.03835	0.3
171.02913	0.4
177.28206	0.2
189.36978	0.2
225.05365	0.2
271.06009	100.0
272.06354	0.6
287.05405	1.2
344.44858	0.2
375.92371	0.2
433.11325	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	595.166
Annotation	Pelargonin
Peak:m/z	Relative Intensity
66.09808	0.1
67.01839	0.2
68.99805	0.2
69.03422	0.1
69.51182	0.5
70.06597	0.4
71.04945	0.1
72.08135	0.1
73.46595	0.1
74.81335	0.1
84.04500	0.1
84.08123	0.1
85.02872	0.3
86.09671	0.2
87.05537	0.1
91.05439	0.2
93.07053	0.1
95.08606	0.2
96.87236	0.1
97.02870	0.2
98.97556	0.1
107.04939	0.1
107.39085	0.1
110.07137	0.1
112.08695	0.1
116.98634	0.1
119.04942	1.1
120.08057	0.2
121.02858	0.3
127.03931	0.1
129.10162	0.1
133.06409	0.1
135.04395	0.1
145.02826	0.3
153.01823	2.4
163.03893	0.3
167.07034	0.1
171.02898	0.5
187.04015	0.1
207.13864	0.1
213.06586	0.1
224.33807	0.1
225.05476	0.2
229.04977	0.2
240.65031	0.1
241.06195	0.1
243.06468	0.2
247.06102	0.1
271.06006	100.0
272.06311	0.8
287.05490	2.2
331.10715	0.1
359.51047	0.1
373.11987	0.1
415.13913	0.1
433.11310	20.8
434.11334	0.1
449.10883	0.3
595.15607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01873	4.9
55.05515	15.0
56.96568	5.7
57.03428	3.7
57.07068	8.0
61.02928	4.3
67.05505	26.5
69.03432	18.6
69.07066	33.0
69.07414	3.4
70.06586	2.1
71.05002	4.3
71.60378	3.0
73.02897	5.2
75.07108	1.5
79.05487	17.9
81.03425	13.2
81.07057	100.0
83.08626	13.5
83.96523	1.7
85.02903	38.7
85.06542	29.3
86.09715	5.5
87.00833	11.0
91.05470	7.8
93.07033	29.2
95.04961	4.6
95.08607	72.6
97.02907	17.3
97.06527	6.7
97.10157	9.4
98.97594	3.0
99.04460	7.2
99.08100	20.6
105.01873	9.6
105.07035	9.1
107.04948	4.6
107.08593	31.6
109.02866	11.5
109.06522	3.3
109.10156	45.5
111.08086	6.8
111.11714	6.1
113.09660	5.7
115.04025	1.7
117.07014	1.8
119.08583	10.1
120.08097	3.5
121.10145	22.8
123.08008	2.5
123.11705	29.5
125.09644	3.4
127.03922	20.6
127.11200	4.7
131.08559	7.6
133.06511	1.9
133.10138	5.8
135.08063	4.5
135.11707	19.3
137.09616	1.9
137.13264	8.8
139.11212	2.9
145.04953	7.7
145.10107	3.0
147.11691	6.3
149.09601	2.2
149.13255	23.7
151.14812	2.9
153.01804	23.1
153.12741	3.8
159.02890	6.2
159.11667	4.2
161.13251	6.3
163.07581	2.1
163.14816	17.0
165.12825	2.6
167.14302	3.8
169.10155	1.6
175.07564	2.5
175.14815	4.0
177.05539	1.9
177.16336	10.2
179.17953	2.1
181.15918	3.6
184.80818	1.6
189.16493	4.2
191.14267	2.4
191.17979	6.6
195.17455	2.9
197.19083	2.9
203.07057	9.4
203.17935	2.5
205.04980	2.4
205.19533	3.1
209.18990	10.7
217.19441	4.2
223.20580	12.7
227.20056	5.0
231.04964	3.9
235.20526	3.2
245.08078	2.3
271.06052	4.9
273.03949	2.3
273.25784	8.5
279.26837	4.4
289.07233	1.8
289.11179	5.6
291.26825	35.6
297.27878	8.6
309.27887	34.2
313.07062	5.2
327.08755	2.4
327.28928	51.5
355.03653	3.6
355.08102	65.8
356.08572	4.7
399.10855	9.0
431.13428	34.2
432.13583	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.53912	0.8
55.82452	0.7
58.35557	0.7
62.99245	0.7
69.56566	2.0
69.56973	3.7
73.68618	0.6
81.94084	0.7
85.46636	0.8
93.08228	0.6
95.46490	0.6
98.21525	0.7
102.04644	0.7
141.50668	0.7
172.20212	0.7
175.72762	0.7
177.42233	0.7
299.84460	0.8
389.17215	0.7
402.19437	0.8
403.19266	2.7
404.20056	0.8
405.20740	1.1
417.21298	3.8
418.21774	1.4
419.22281	4.3
430.17371	1.1
431.18173	9.6
432.19415	2.7
433.24014	7.5
434.24289	1.2
445.19711	8.2
446.20605	4.8
447.21463	5.6
459.21777	3.4
460.22562	12.3
461.23383	10.2
473.23450	2.4
476.25632	0.9
491.24557	1.2
492.25397	1.3
504.21088	0.8
505.21750	7.7
519.23499	0.9
533.25391	29.2
558.03015	0.9
564.24225	1.0
565.27686	0.9
593.27533	100.0
594.28320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17889	0.6
53.08130	0.5
55.05481	0.5
61.43658	0.4
67.05493	0.8
69.26891	0.5
69.30116	0.8
69.30515	5.1
72.92245	0.5
74.85701	0.5
79.05492	0.7
81.07056	0.8
86.09682	0.6
86.13091	0.5
91.05472	0.6
93.07059	0.9
95.04980	0.6
95.08611	1.1
99.75975	0.5
102.27808	0.5
107.08591	0.8
109.06539	0.6
119.08577	0.8
121.66470	0.4
132.99611	0.5
133.10077	0.5
189.05258	2.0
258.93652	0.6
271.12225	0.5
289.10544	0.7
333.24478	0.7
345.17114	0.5
401.22375	0.6
415.21005	1.9
430.23380	1.4
431.24008	7.8
593.29315	100.0
594.29120	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
53.03946	1.7
55.01868	0.5
57.03426	0.9
61.02914	0.5
61.62654	0.2
65.03954	0.2
67.05494	0.3
69.03431	8.2
70.06589	1.0
70.73035	0.5
71.04983	1.0
72.08149	0.4
73.02917	0.9
73.39828	0.2
79.05494	0.8
81.03417	7.1
81.07037	0.3
83.04971	0.3
84.04518	0.2
84.08140	0.4
85.02902	10.3
86.09704	0.7
87.04457	0.2
89.03891	0.2
91.05464	0.4
93.07047	0.5
95.04984	1.4
97.02892	7.8
99.04472	2.7
99.47019	0.2
102.52192	0.2
103.03934	0.9
107.04955	100.0
108.04642	0.2
108.05251	1.0
109.02882	4.4
110.07177	0.2
111.04439	0.3
115.03961	0.2
117.07050	0.2
119.04950	0.4
120.08097	0.4
121.06506	1.0
123.04413	0.5
127.03913	12.9
129.10257	0.3
131.04930	4.0
133.06546	0.2
134.03632	0.7
135.03889	0.2
137.05969	0.6
144.05698	0.7
145.03778	0.2
145.04953	4.6
145.06488	0.6
147.04385	0.6
149.05977	5.0
151.03955	0.2
153.05470	4.8
153.06720	0.2
157.06531	0.2
163.03909	0.3
163.22221	0.2
165.05467	0.4
169.04971	0.3
169.06519	0.3
171.06668	0.3
173.05968	3.4
175.07500	0.2
177.05460	0.7
185.05841	0.3
187.07529	0.4
189.05473	0.4
191.07010	0.2
195.06589	0.4
197.05934	1.1
203.07045	0.4
211.05807	0.2
215.07030	2.2
219.06502	1.0
225.07700	0.2
233.08116	0.5
237.07555	1.6
243.06519	0.4
251.02081	0.2
257.04596	0.3
261.07495	1.1
279.08633	5.4
285.03909	0.2
287.05548	1.3
297.09656	2.5
321.09698	0.6
345.09518	0.3
345.13300	0.9
363.10852	0.4
372.94086	0.2
405.11746	0.3
593.22876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
53.50119	2.3
53.70161	2.3
55.01872	23.7
55.05512	77.8
57.03431	4.6
57.07073	16.5
65.03943	5.8
67.05505	85.8
69.03435	5.2
69.06720	3.3
69.07069	42.2
70.17944	2.4
70.40076	10.9
71.04984	6.7
71.08631	43.6
75.28941	2.3
79.05491	58.6
79.26845	2.6
81.03435	7.6
81.07055	100.0
83.04981	7.6
83.08620	40.4
85.06551	9.4
85.10177	13.5
87.99844	2.4
91.05480	46.0
93.07043	57.5
95.04982	18.6
95.08605	75.4
97.06541	10.3
97.10156	28.9
99.08089	21.6
105.07025	57.6
107.04944	4.4
107.08599	36.7
109.06517	10.9
109.10154	27.8
111.08073	12.0
113.09629	6.8
117.07015	24.2
119.08585	40.7
121.06532	6.0
121.10143	28.3
123.08078	8.9
123.11739	11.6
124.67554	2.3
125.09616	24.4
128.06323	2.8
129.07016	11.3
131.08574	27.1
133.06487	3.0
133.10129	27.4
135.08067	7.3
135.11749	12.4
137.09601	6.5
137.13234	5.3
139.11172	5.7
141.07011	3.9
141.09132	2.4
142.07823	3.6
143.08543	14.5
145.10130	27.1
147.08046	3.5
147.11693	23.3
149.09669	6.4
149.13281	7.9
150.08897	3.0
151.11189	30.2
153.09172	2.8
153.12759	2.8
155.08572	6.2
157.10153	8.2
159.11705	15.8
161.09584	5.5
161.13303	18.4
163.11206	11.7
163.14815	5.2
165.12744	13.2
165.97954	2.5
169.10197	6.3
171.11710	10.0
173.09596	3.2
173.13255	13.1
175.09753	2.8
175.11172	3.3
175.14832	10.9
177.12770	6.7
179.14331	5.7
181.10081	3.6
183.11703	3.0
185.13264	9.1
187.11150	3.1
187.14827	5.8
189.11191	16.3
189.12660	3.1
191.14299	5.4
193.12302	2.8
195.11731	2.9
197.13202	6.5
199.14825	7.6
201.16432	6.5
203.14240	3.6
205.09006	2.7
211.14992	4.2
213.16405	5.9
215.17764	3.2
221.15410	3.5
223.14897	3.4
225.16313	3.0
229.19473	3.0
241.19589	4.3
247.60539	2.4
249.22162	5.3
259.20557	6.3
261.22055	5.1
275.20193	5.6
277.21628	65.1
279.23257	6.6
281.76917	2.7
287.23770	4.2
289.21991	3.3
291.23160	4.1
293.21048	14.6
295.22672	24.6
297.22290	3.1
301.21619	3.4
303.23148	3.2
307.22812	3.0
315.23013	6.4
325.25064	2.7
329.24548	3.1
331.22693	2.9
333.24136	3.1
341.24719	5.3
357.27954	3.9
359.25705	3.5
362.02548	2.6
383.33096	3.3
385.30994	4.7
399.32364	4.9
401.34262	7.5
403.32242	6.7
417.33405	10.3
421.31085	5.5
423.32339	3.4
437.33823	5.2
439.32083	4.3
441.33774	8.0
445.32980	4.8
447.35065	2.8
455.34995	11.7
457.32834	13.2
459.34827	15.9
471.34537	4.3
473.36209	8.6
475.34161	13.4
489.35733	4.8
517.40649	4.7
535.41370	10.3
543.44250	3.1
553.42719	18.9
571.43634	48.5
589.44629	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	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.4
56.96565	4.1
67.05489	18.4
69.07063	7.3
70.99885	8.1
71.00233	6.0
71.04992	8.1
79.05480	21.4
81.03389	4.6
81.07063	39.5
83.08577	7.0
85.02914	7.3
85.96982	4.9
91.05466	17.7
93.07037	19.4
95.04964	7.7
95.08611	38.5
97.06535	10.1
103.05451	8.4
105.07015	14.1
107.04953	60.3
107.08599	9.9
119.08587	22.8
121.10142	4.8
133.10095	8.3
135.08073	20.1
135.11670	11.8
139.74194	4.4
161.13260	37.1
162.45689	5.3
163.07550	52.5
167.07039	77.3
179.14311	65.3
192.77827	4.5
195.10175	50.8
213.11223	100.0
229.62119	4.8
359.22473	7.2
391.24634	8.4
409.25787	6.7
594.81915	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	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.9
56.96550	6.9
67.05489	5.7
69.03414	9.7
70.06577	13.9
71.04991	4.5
72.08148	5.1
74.40650	2.6
75.61050	2.6
79.05476	4.5
81.07069	4.9
84.08129	6.8
85.02900	20.3
86.09706	8.1
91.05480	12.4
93.07032	5.6
95.04970	34.9
97.02876	10.5
97.06521	3.5
98.21489	9.9
98.97593	8.8
99.04413	3.9
103.05437	8.3
105.07030	10.1
106.04191	3.1
107.04973	18.2
107.08605	3.2
109.06505	6.8
116.98589	8.7
119.04973	4.9
121.06503	13.1
123.04427	3.0
127.03881	4.2
129.07008	6.9
129.10213	3.1
131.04933	9.1
131.08533	5.0
133.10120	8.0
134.99664	3.1
135.08009	5.1
137.05988	11.0
145.04950	3.3
145.06371	2.7
146.07243	3.0
148.05153	4.4
149.05959	14.5
151.07529	5.6
153.05481	4.6
153.09129	6.5
155.12987	2.8
157.06528	3.5
161.05971	90.1
161.09590	30.0
163.07520	20.5
165.05481	4.0
167.07040	33.5
169.36871	2.4
175.07495	4.7
177.00662	6.5
177.05408	5.2
179.07086	5.9
180.07797	5.0
181.08604	31.9
181.15591	2.8
189.09074	61.0
191.06995	14.9
192.07835	3.8
193.08545	3.8
207.08202	5.9
207.10167	100.0
209.08095	16.7
219.10173	4.2
237.02789	8.3
237.08714	3.2
272.08926	4.8
285.11017	4.9
312.14087	3.4
312.64279	5.1
317.13818	4.6
343.15204	8.0
355.15390	4.0
361.16418	43.8
393.16681	7.4
393.66861	12.2
394.17184	7.7
415.12814	9.6
416.13068	7.0
427.16089	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
54.19413	3.3
55.01873	9.5
55.05507	30.1
56.45138	3.3
57.03428	11.7
60.22913	3.1
65.03928	5.0
65.22730	2.9
67.05166	5.7
67.05503	85.1
69.07064	15.7
71.01347	5.8
71.04986	5.5
71.60355	5.7
79.05486	69.2
81.03421	33.9
81.07055	79.5
83.04976	6.5
83.08623	14.4
83.59617	3.7
84.91441	4.0
89.57468	3.4
91.05479	44.2
93.07040	65.7
95.04961	66.5
95.08607	46.9
97.06557	5.2
97.10143	6.6
105.07013	29.4
107.04945	16.5
107.08574	35.8
109.02879	17.4
109.06500	10.8
109.10130	18.2
114.70472	3.7
115.91157	3.5
117.07034	19.5
119.08578	28.8
121.06499	6.2
121.10154	21.9
123.04427	66.8
123.08089	4.1
123.11708	5.5
125.09616	7.9
129.06984	11.5
130.07710	5.6
131.08514	20.9
133.10139	17.7
135.08066	4.7
135.11682	18.8
143.08540	14.1
145.10095	22.6
147.08064	9.9
147.11664	10.2
149.09659	5.9
149.13240	6.6
153.09050	4.1
155.08617	7.0
157.10147	5.6
159.11693	9.6
161.09692	4.2
161.13243	4.2
163.11171	19.6
165.12625	3.6
169.10176	5.3
171.11658	10.4
173.09709	8.2
173.13260	4.8
187.14926	4.4
189.12755	8.9
191.10692	6.7
199.11208	8.2
207.13765	19.7
217.12236	12.9
222.15497	4.2
235.13268	80.6
238.39006	3.7
253.14421	4.8
261.22192	6.5
274.44101	4.1
309.16922	55.0
335.05527	4.2
335.25778	100.0
342.10916	5.1
383.29984	4.1
429.45062	3.5
529.60608	4.5
539.32428	3.9
569.38251	54.2
587.39130	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01855	7.5
55.05511	28.7
55.99382	3.6
57.03434	10.3
57.07080	4.4
65.03928	4.4
66.78311	3.1
67.05502	84.4
69.03432	4.1
69.07045	20.6
69.26047	40.5
71.01360	7.2
71.04967	3.5
79.05490	66.5
81.03412	39.5
81.07053	70.9
83.04989	7.4
83.08625	14.1
91.05478	40.8
93.07037	55.7
95.04966	77.4
95.08603	49.5
95.20538	3.4
97.06542	5.5
97.10175	11.5
97.62751	3.3
103.05453	3.3
105.07034	28.0
107.04958	11.1
107.08601	35.8
109.02209	3.5
109.02857	17.4
109.06521	8.1
109.10141	22.1
117.07030	11.0
119.08610	23.2
121.06477	7.3
121.10163	23.5
123.04433	74.1
123.08112	5.5
123.11719	5.3
125.09594	8.2
129.07037	14.4
131.08585	22.4
133.06453	4.7
133.10126	15.6
135.08064	10.3
135.11661	18.8
137.06013	3.6
143.08592	7.5
145.06450	5.2
145.10147	23.4
147.08076	11.5
147.11667	9.9
149.09715	4.4
149.13260	7.8
153.09082	8.9
155.08618	5.9
157.10161	8.5
159.11703	7.8
161.13295	5.6
163.11235	17.1
171.11697	8.6
173.09621	13.5
175.14844	4.9
187.14748	4.3
189.12758	14.2
191.10658	6.8
207.13786	16.7
217.12286	13.5
235.13278	99.0
261.22192	13.9
309.16956	61.5
335.25809	100.0
477.33688	4.3
510.64746	4.4
551.36377	4.5
569.38257	61.0
587.39697	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	586.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18887	0.6
55.05507	7.6
56.05028	1.3
56.96573	1.0
57.05822	1.2
60.04524	0.5
69.03403	0.6
69.07056	0.7
70.06577	0.6
71.60423	0.7
72.08153	100.0
73.08485	0.8
75.12894	0.6
79.05495	0.9
81.03451	0.7
81.07038	1.0
84.04504	5.1
85.02908	1.7
86.09704	36.5
91.05482	1.3
91.47604	0.5
95.04942	0.8
95.08601	0.9
97.02879	0.7
97.06557	0.9
102.05540	13.5
108.05696	0.5
118.08568	0.6
119.04926	1.1
123.11712	0.6
138.09134	1.1
146.11751	11.4
147.04420	4.8
148.04749	2.9
153.85957	0.5
155.11943	0.6
156.10211	2.3
162.54659	0.5
163.03856	0.7
180.07367	0.5
183.11299	3.8
185.16486	6.6
201.12335	32.7
204.10242	1.6
205.10588	2.3
213.15976	11.0
229.11839	54.0
259.20175	12.0
269.62439	0.6
297.17853	0.7
300.19037	0.9
328.18646	37.4
342.20187	3.8
358.27155	2.0
370.20053	0.9
381.97205	0.5
396.25073	0.8
413.27582	4.0
419.10617	0.7
421.23315	1.0
422.23233	1.2
438.24002	0.8
439.24240	2.6
440.24649	2.5
441.26981	5.7
455.28821	1.1
473.52658	0.7
586.28790	7.4
587.30060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4147
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
53.03935	6.0
55.01857	13.4
55.05511	39.6
58.93428	2.8
65.03941	7.2
67.05171	3.9
67.05505	63.8
69.06768	3.4
69.07073	36.9
70.06595	4.3
70.41093	5.5
71.04990	3.4
79.05497	52.9
81.03436	6.0
81.07059	72.6
83.04981	9.0
83.08616	20.8
85.06546	3.8
91.05486	54.5
93.07050	47.3
95.04964	11.8
95.08141	3.2
95.08619	39.9
97.06541	16.8
97.10176	16.5
98.20677	3.4
103.05478	2.8
105.07034	51.8
107.04965	9.1
107.08599	35.0
109.06511	11.6
109.10175	23.9
110.04575	3.0
111.08073	4.1
117.06995	18.9
119.04941	7.5
119.07796	3.7
119.08586	47.3
121.06478	5.3
121.10146	17.8
123.08011	8.6
123.11707	5.1
124.84029	2.9
125.09659	8.7
128.06250	3.9
129.07010	13.2
131.04950	4.7
131.08556	30.0
133.10141	35.0
135.08060	9.3
135.11703	10.4
137.09663	7.0
141.06998	7.4
143.08568	10.3
145.10110	25.5
147.04449	22.2
147.08086	4.0
147.11665	17.9
149.09627	14.9
149.13272	5.7
153.08955	2.9
155.08524	12.3
157.10132	13.1
159.07921	3.2
159.11691	19.2
161.13269	6.2
163.11165	8.0
165.12750	4.6
167.08577	3.8
169.10107	10.9
171.11705	9.0
173.09578	3.4
173.13278	12.4
175.15015	3.3
177.12840	4.1
183.11691	12.3
185.09663	4.6
185.13193	6.8
187.14822	3.2
189.11174	4.3
189.12697	4.3
193.10303	3.0
197.13297	6.6
199.14827	3.6
209.13326	4.2
213.16451	3.7
221.13229	3.3
239.17947	6.6
247.20761	5.1
257.18982	11.3
273.18518	5.8
275.20056	100.0
277.21628	7.8
291.19586	4.7
293.21121	13.1
327.23120	4.6
367.22821	3.2
395.29352	4.8
413.30072	4.6
420.67471	4.7
453.33578	4.3
455.31635	7.3
457.33401	6.4
471.34546	4.4
531.38306	4.9
549.39600	17.6
567.40350	22.0
585.28912	9.3
585.41663	34.2
586.41711	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	585.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73594	1.3
54.21883	1.4
55.01860	2.8
61.01147	5.4
64.63286	1.4
69.03432	2.4
70.06590	12.9
71.59450	2.3
72.04518	7.5
72.08146	2.8
73.02914	2.2
74.06048	2.0
78.03791	11.5
81.03437	2.6
83.04970	1.5
84.04527	3.5
84.08148	3.5
85.02893	10.2
86.06078	3.2
86.09731	3.7
86.22777	1.5
88.02222	5.4
97.02889	2.6
99.04453	4.5
99.05566	3.4
102.03767	20.7
103.02201	2.8
103.03940	11.3
107.04962	1.7
109.02897	4.0
113.05975	1.7
114.03770	2.6
118.45996	1.4
120.04806	6.1
126.05521	16.8
127.03920	5.4
129.10345	1.8
131.06432	9.3
131.96777	1.3
132.04805	11.1
133.12857	1.4
142.08661	3.2
149.07451	40.9
149.08658	2.5
152.07106	2.8
154.08572	1.8
175.05399	2.4
178.82675	1.5
180.06551	12.1
198.07648	1.7
210.58354	1.7
217.12108	1.7
231.11636	3.2
261.12576	3.2
275.10602	2.1
293.11673	100.0
405.16907	26.0
410.20535	1.5
455.16962	1.6
541.83838	1.7
574.65149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1029
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
55.01864	0.4
56.44844	0.2
65.03947	0.4
67.01880	1.0
67.05504	0.4
68.99785	1.9
69.03409	0.5
69.95872	0.6
69.96281	0.5
70.06591	0.3
75.00496	0.2
79.05489	0.3
81.03426	0.7
81.07058	0.3
85.02916	0.3
86.09688	0.4
88.36605	0.2
89.03918	0.6
91.05470	0.3
95.04959	0.5
97.02875	0.3
98.20844	0.2
107.04977	0.6
108.02106	0.6
109.02900	0.4
110.03672	0.8
111.00856	0.3
111.04409	0.3
117.03378	0.5
119.08595	0.3
119.78943	0.2
123.04464	0.2
125.02322	0.2
125.05981	0.8
127.03940	0.6
135.04448	0.3
136.01549	0.3
137.02345	11.8
137.03421	0.8
137.05981	0.2
141.05473	0.8
147.04414	1.1
149.05963	1.6
151.03911	12.7
151.05029	1.3
153.01828	16.9
155.04927	0.3
158.03609	0.2
160.01549	0.2
161.02423	0.2
161.05945	0.5
163.03932	0.3
163.68303	0.2
171.02888	1.7
171.04303	0.3
171.11865	0.2
175.03943	0.8
183.04424	0.4
184.07388	0.2
185.06000	0.2
187.03972	0.6
189.05508	0.2
195.02818	0.2
197.05939	0.3
203.03346	0.2
206.84442	0.2
211.03891	1.3
212.04662	0.4
213.05432	1.5
215.03339	0.3
217.04987	0.4
225.01797	0.2
225.05449	0.2
227.03354	0.3
228.04201	0.2
229.04953	1.4
237.05571	0.5
239.03421	2.1
240.04167	0.5
241.04951	1.0
243.02960	0.7
245.17868	0.2
253.04953	1.0
255.02963	0.5
257.04446	2.0
258.05353	0.7
265.01520	0.2
265.04819	0.3
266.01987	0.3
267.02890	4.5
269.00851	0.3
269.04391	0.4
271.02368	0.5
272.06818	0.3
277.04889	0.3
279.02805	1.1
281.04443	1.7
282.05276	1.6
283.05750	0.2
284.03146	5.8
285.03928	4.0
286.04755	1.5
287.01669	0.5
291.06641	0.3
293.00882	0.6
293.04428	0.4
294.05048	0.2
295.06229	0.4
297.03876	1.0
299.05551	0.6
300.06232	1.5
301.07016	1.7
305.04660	0.3
307.02441	0.3
309.04050	1.0
311.01877	1.5
319.06036	0.4
321.04001	0.7
322.04691	0.5
323.05472	1.8
325.03284	0.3
327.04993	1.9
335.01901	2.5
335.05692	0.5
336.06354	0.3
337.03598	0.2
347.05692	0.7
348.06415	0.4
349.03613	0.5
350.04141	0.3
351.05096	1.3
353.02798	1.3
362.08023	0.2
363.05112	0.4
365.06644	0.3
372.06366	0.3
373.03448	0.3
375.04987	0.5
376.05914	0.5
377.02847	1.4
384.09943	0.3
388.05469	0.2
389.06332	0.3
390.07452	0.3
391.08487	0.3
392.05219	2.0
393.06073	2.5
395.04178	0.4
401.06683	0.5
405.05887	0.6
417.06085	0.6
418.07104	4.5
419.03912	10.2
420.04471	0.3
433.09399	8.6
434.06299	2.0
435.07281	0.4
437.04800	1.6
444.04596	0.3
459.07346	2.2
501.08121	1.1
525.08490	0.2
543.08936	0.6
553.07745	2.7
570.08093	0.5
585.10272	100.0
586.10608	1.8
592.81146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2754
Annotation	N1,N5,N10-Tricoumaroyl spermidine
Peak:m/z	Relative Intensity
54.26363	0.3
58.06590	0.4
61.22707	0.3
61.26338	0.2
65.03926	1.1
69.66795	0.9
69.67221	0.9
70.06590	0.8
72.08147	4.7
81.07053	0.4
84.08133	1.1
85.02913	0.3
91.05473	7.9
97.06500	0.3
98.09638	0.3
98.21478	0.4
106.90791	0.3
107.04943	0.4
109.02840	0.4
112.04778	0.3
112.11227	3.2
119.04935	20.1
121.02876	0.3
127.03925	0.4
129.13927	1.7
129.14726	0.3
146.16434	0.6
147.04396	100.0
148.04713	0.4
153.05449	0.9
154.05827	0.3
154.51828	0.3
155.11780	1.0
172.14394	0.6
181.85344	0.3
185.71216	0.3
203.11752	2.8
204.10187	41.5
217.13347	2.1
218.11755	4.3
221.13002	0.5
235.14436	0.3
243.17065	0.4
251.02696	0.3
254.17583	0.7
274.19128	1.1
275.17514	9.7
292.20184	8.6
318.18036	1.0
325.11209	0.3
326.10800	0.4
358.13672	0.4
420.22803	24.4
421.21286	1.5
438.23853	63.7
439.24478	0.7
584.27338	1.9
585.28699	0.4
596.49390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01855	9.9
55.05511	3.9
57.03439	6.0
61.02914	5.8
62.06088	7.0
67.05477	8.2
69.03424	28.1
69.07053	4.6
70.58890	7.1
70.59273	11.3
71.04984	6.0
73.02899	10.4
79.05495	7.7
81.03423	34.4
81.07053	15.3
85.02904	83.6
87.00826	36.4
91.03973	4.8
91.05464	12.5
93.07032	19.7
95.08598	14.6
97.02895	40.3
97.06541	4.1
99.04456	14.5
100.98580	3.9
105.01862	35.5
105.07020	32.3
107.08600	17.5
108.04480	4.5
109.02878	34.0
109.10160	12.6
111.11711	5.4
117.01836	6.4
117.07025	3.8
119.08576	35.7
121.10158	13.4
127.03912	59.6
129.01839	4.5
131.08549	17.4
133.10120	13.7
135.11707	9.1
143.08530	6.9
145.04924	21.1
145.10112	18.1
147.02834	5.4
147.11659	16.8
157.10092	8.4
159.02948	23.5
159.11710	15.9
161.13283	14.8
171.11699	3.3
173.13316	9.8
179.10690	5.3
184.02921	3.8
185.13228	5.1
199.14813	11.2
207.01401	3.6
227.17943	6.6
229.19406	5.4
231.05016	13.9
245.15367	5.8
255.21074	82.1
273.22006	5.1
283.20514	17.2
301.21603	100.0
319.22714	13.9
451.72263	4.5
531.25226	5.3
573.20801	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	584.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
56.05050	1.0
57.07043	1.5
70.06589	2.3
71.06117	8.0
71.58850	0.9
71.59264	1.6
72.04513	3.9
74.00674	2.2
76.02229	1.6
77.00633	7.3
78.03796	4.1
83.06094	1.6
84.04508	9.4
84.08121	1.5
85.04021	4.7
85.06563	1.2
86.00648	1.5
86.06076	2.4
86.09731	0.9
90.45038	1.0
92.01703	3.2
92.98331	3.4
96.04507	0.9
99.05586	2.3
102.03773	4.3
102.51337	1.0
109.07642	3.1
110.00956	2.6
112.03988	1.8
112.07660	1.5
113.03471	2.8
118.03246	25.9
118.04063	1.9
120.04800	2.0
124.07571	1.4
130.03249	6.7
130.04982	6.3
131.04520	11.4
131.06366	1.4
132.04839	2.6
134.00974	0.9
134.95778	0.9
138.52809	1.0
139.03297	1.5
140.01668	1.9
141.06577	1.0
142.08661	3.0
147.05873	43.4
149.07443	19.6
153.06647	2.2
155.08177	3.5
159.02214	2.6
159.05928	1.4
163.03958	1.6
176.01985	1.2
177.03294	22.3
181.04630	5.8
181.06120	3.2
184.09662	1.9
185.03790	12.3
190.93031	1.1
199.07233	3.9
205.04614	2.1
209.00539	3.8
211.07043	1.6
231.04341	26.8
254.06270	2.9
256.09354	1.3
259.10953	1.4
268.07867	1.8
268.63333	1.1
288.06509	5.1
293.09882	2.0
308.07343	2.5
325.09991	100.0
379.11053	5.7
391.11096	1.7
417.35529	1.2
436.13126	10.2
437.15271	9.5
454.14273	22.6
509.17291	3.4
566.19507	10.1
584.20636	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05511	14.5
57.07058	11.3
59.05003	4.7
65.03941	3.0
67.05508	21.4
69.03420	6.4
69.07072	30.7
71.60160	5.3
72.26782	3.1
79.05496	36.5
81.07050	35.6
81.52876	2.9
83.04989	6.8
83.08633	8.0
85.06547	4.6
89.06008	3.8
91.05483	41.6
93.07046	61.4
95.04972	13.6
95.08601	36.9
97.06540	8.5
105.07034	66.1
105.07676	5.8
107.08588	56.4
109.06541	14.2
109.10162	21.8
115.05455	4.4
117.07038	16.6
119.08577	84.3
121.06542	5.5
121.10143	57.9
123.08063	9.8
123.11726	8.9
125.09634	4.7
128.06244	8.6
129.07025	13.0
130.07808	6.8
131.08568	36.9
133.10127	46.0
135.08072	6.0
135.11664	14.3
137.09593	9.3
141.07019	6.7
142.07782	20.3
143.08568	34.1
144.09366	6.0
145.10129	48.5
147.08052	13.8
147.11685	16.9
149.09641	12.2
149.13301	3.5
151.07487	4.5
153.06992	3.5
154.07799	5.9
155.08559	16.8
156.09326	19.3
157.10139	50.7
158.10919	9.5
159.08069	8.2
159.11707	26.0
161.09705	5.8
161.13280	11.6
162.14667	3.3
163.11169	5.1
165.07018	4.0
165.09129	16.1
165.10339	3.0
166.07816	4.5
167.08543	8.7
167.10672	44.7
168.09447	7.9
169.10138	25.0
170.10925	10.0
171.11710	28.6
173.09688	4.3
173.13249	21.3
175.11163	6.0
175.14859	10.2
177.12944	3.1
179.08594	11.1
180.09373	9.8
181.10100	14.7
181.12329	3.2
182.11011	6.7
183.11655	24.1
184.12477	7.1
185.13211	17.8
187.11107	3.8
187.14857	13.1
189.12733	5.3
191.14409	9.1
192.09360	5.7
193.10143	10.7
194.10956	11.3
195.11708	18.8
196.12497	3.8
197.13187	21.9
198.13980	4.0
199.14890	17.5
201.16406	4.3
203.14313	5.8
205.10056	4.7
206.10962	9.7
207.11705	17.0
208.12514	6.8
209.13232	27.6
210.14162	5.1
211.11255	3.0
211.14883	10.0
215.14417	6.6
217.15901	15.8
219.11757	7.3
220.12483	4.1
221.13293	14.2
221.15422	19.9
222.14015	3.4
223.14780	14.0
225.16371	4.8
227.14275	4.9
229.15976	4.2
231.11752	6.5
232.12651	5.3
233.13257	7.1
233.15446	25.6
235.14844	12.4
237.16435	7.8
239.18024	3.3
243.11748	4.2
245.13319	4.0
246.14018	4.5
247.14839	6.4
249.16402	7.9
251.18161	4.4
257.13348	5.0
259.15005	4.8
261.16470	7.3
263.17975	8.5
265.19534	3.5
269.19000	3.2
273.16406	5.2
275.18097	7.2
277.19519	3.7
281.19092	3.6
283.20609	8.3
289.19232	4.1
297.22015	3.8
299.20389	5.7
315.20990	3.5
343.24069	3.8
491.35049	7.3
547.39117	5.9
565.40631	20.1
583.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05505	16.2
56.92164	4.1
57.03431	4.2
57.07066	13.2
59.05003	4.0
65.03925	4.3
67.05504	26.4
69.03426	7.6
69.07053	12.4
69.26878	8.0
69.27280	39.9
71.08605	5.3
74.18951	3.6
79.05486	28.0
81.07053	33.0
83.04987	10.3
83.08599	11.9
85.06563	6.0
85.10165	5.5
91.05476	43.9
93.07037	53.3
95.04966	14.1
95.08606	37.1
97.06432	3.4
97.10163	3.6
98.21446	9.0
98.98468	23.1
105.07024	68.2
107.08590	53.3
109.06494	8.7
109.10152	25.3
116.38616	3.7
117.07018	17.4
119.08583	57.0
121.10138	38.5
123.08084	13.8
123.11711	11.1
128.06226	15.4
129.07037	12.8
130.07800	7.5
131.08537	30.9
133.06456	3.5
133.10136	39.1
135.08040	8.8
135.11693	11.6
137.09636	11.8
141.07053	6.6
142.07739	22.0
143.08554	30.0
145.10130	47.5
147.08025	19.2
147.11703	13.8
148.37665	3.8
151.07550	15.8
155.01045	23.5
155.08546	19.8
156.09344	9.9
157.10150	43.2
158.10921	4.4
159.11684	29.3
161.13316	7.6
163.11203	7.1
165.07011	6.5
165.09108	38.4
167.08562	11.1
167.10655	7.8
168.09312	5.9
169.10149	26.3
170.10844	7.9
171.11713	31.5
173.13312	18.0
175.14795	6.9
179.08595	10.1
181.10182	16.9
181.12146	3.6
182.10876	7.6
183.11673	24.6
185.13306	12.6
187.11256	5.5
187.14806	9.0
189.12718	4.2
191.14346	6.8
193.10161	12.5
194.10973	10.0
195.11763	22.5
195.13458	5.4
196.12535	6.5
197.13266	17.2
199.14833	12.2
203.14352	15.4
205.10193	5.0
207.11702	13.3
207.13733	8.7
208.12505	5.5
209.13240	25.0
211.14812	10.8
217.15862	14.0
219.11731	6.6
221.13239	12.6
221.15392	59.0
223.14844	15.7
233.13312	9.7
237.16389	7.8
245.13274	5.6
247.14694	7.1
247.16963	4.5
249.16478	11.4
251.17947	4.7
259.14926	7.3
260.15726	5.7
261.16330	7.7
265.19702	6.0
269.19131	6.5
275.17963	9.0
283.20575	16.0
297.22202	5.5
331.24316	4.7
341.30493	16.1
375.26993	7.6
403.29852	8.0
565.40265	32.9
583.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88309	2.0
53.03939	4.7
55.01873	2.9
55.05510	19.3
57.03404	2.3
57.07079	12.7
59.04994	5.1
65.03917	4.8
67.05498	24.9
69.03416	8.2
69.06773	2.1
69.07067	27.0
69.50070	4.9
69.50464	17.4
71.01884	2.1
71.04984	2.3
79.05487	30.7
81.07050	44.7
83.04962	13.8
83.08614	9.7
85.06531	8.1
91.05476	52.1
93.07037	71.4
95.04968	19.5
95.08599	41.3
97.06524	6.9
103.05464	5.2
105.07024	84.1
107.08590	56.9
109.06491	13.8
109.10146	29.1
111.08075	3.4
115.05463	6.7
116.06222	4.1
117.07000	23.6
119.08573	100.0
121.06519	6.5
121.10134	67.9
123.08038	15.5
123.11699	5.9
125.05959	2.5
125.09587	5.0
128.06183	14.6
129.06989	23.0
130.07787	9.9
131.08546	45.5
131.18105	2.1
133.06508	3.4
133.10123	47.8
135.08093	11.1
135.11652	16.6
137.09621	11.3
139.11197	4.7
141.07008	9.8
142.07744	34.1
142.08772	2.9
143.08542	51.7
143.09674	2.8
144.09344	9.0
145.06432	4.0
145.10109	64.3
147.08043	13.7
147.11662	21.8
149.09613	10.8
149.13255	3.9
151.07545	12.0
153.06993	5.1
154.07774	6.0
155.08546	22.9
155.10574	2.6
156.09349	21.6
157.10121	61.4
158.10910	10.1
159.08113	4.5
159.11681	33.1
161.09616	6.1
161.13269	7.3
162.22102	3.1
163.11197	7.8
165.06970	9.0
165.09114	18.1
166.07802	4.1
167.08591	13.6
167.10649	38.0
168.09372	9.8
169.10109	43.0
170.10896	11.6
171.11673	39.0
173.09624	4.3
173.13232	32.6
175.11212	2.8
175.14789	11.6
178.07787	3.7
179.08504	14.3
180.09390	10.3
181.10110	20.2
181.12234	7.7
182.10933	8.5
183.11682	33.6
184.12494	5.0
185.09662	2.8
185.13251	19.1
187.11238	4.2
187.14856	9.3
189.12776	7.4
191.14310	13.0
192.09288	5.3
192.88593	2.7
193.10144	22.9
194.10915	16.2
195.11668	24.7
196.12505	7.1
197.13217	29.2
198.14069	2.4
199.11342	2.3
199.14835	21.1
201.12978	2.6
201.16394	6.4
203.14331	10.0
205.10219	5.1
205.15895	2.5
206.10965	8.7
207.11732	28.3
207.13846	6.5
208.12512	7.8
209.13211	35.9
210.14075	4.5
211.14763	15.3
213.12747	3.2
213.16434	4.8
215.14322	3.0
217.10121	4.4
217.15813	11.3
218.10941	3.2
219.11633	11.8
220.12494	5.7
221.13263	22.0
221.15413	37.7
222.13988	2.7
223.14793	15.3
224.15550	3.2
225.16457	7.8
227.14392	5.4
227.17863	2.4
230.10928	2.8
231.11700	10.0
232.12460	7.0
233.13248	16.0
233.15433	14.5
234.14084	4.5
235.14799	16.6
236.15540	2.9
237.16402	8.7
239.14340	3.8
239.17953	5.7
243.11734	4.7
243.17422	2.8
244.12555	2.6
245.13232	8.6
246.14098	6.5
247.14793	11.6
247.17038	2.8
248.15694	3.8
249.16415	12.2
251.18011	8.5
255.17369	3.1
257.13312	4.2
257.18924	10.9
258.14084	3.7
259.14905	5.9
260.15649	6.3
261.16330	12.1
262.17221	2.7
263.17993	8.9
265.19516	8.1
269.18930	5.4
270.14185	2.6
271.14725	3.6
271.20630	2.4
273.16254	5.3
275.17896	17.6
277.19644	5.6
279.21155	3.4
281.19012	3.5
283.20538	20.8
287.17700	3.8
289.19614	6.3
295.20792	5.6
297.16238	2.5
297.21982	2.7
300.20892	3.0
301.21906	3.6
303.20859	3.3
307.20572	3.5
327.21121	2.4
331.24133	6.0
333.22211	3.1
347.23694	5.0
349.25232	8.6
357.25940	2.3
375.26935	7.9
377.24789	3.0
403.29868	3.1
427.29782	2.3
491.34659	4.4
547.38947	4.7
565.40259	18.1
583.41461	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	4.6
53.03955	6.3
55.05502	19.9
57.07066	10.4
64.37120	4.2
67.05508	29.9
69.03430	5.8
69.07067	20.1
69.13213	4.3
69.48625	13.2
69.49050	22.7
79.05480	26.4
81.07052	38.4
83.04976	9.2
83.08608	12.4
88.96840	3.7
91.05476	49.1
93.07039	47.6
95.04964	11.6
95.08590	40.2
97.06538	6.6
98.98465	9.7
101.76096	4.4
105.07022	66.7
107.08592	49.1
109.06522	12.0
109.10149	26.0
111.08067	4.7
114.03387	4.2
116.06181	4.3
117.06990	16.1
119.08571	89.6
121.06518	4.5
121.10128	47.0
123.08051	18.2
123.11730	7.1
128.06229	12.2
129.06970	18.7
130.07774	7.1
130.67601	4.8
131.08571	44.4
133.10121	41.2
135.08031	10.2
135.11711	12.2
137.09625	9.2
141.06993	8.4
142.07745	28.9
143.08562	48.3
144.09396	6.8
145.10117	50.9
147.08034	16.0
147.11693	14.6
149.09637	5.1
149.13257	5.0
151.07524	11.6
153.06906	6.8
153.09102	4.2
154.07744	4.9
155.00989	10.1
155.08582	13.1
156.09312	20.7
157.10123	59.2
158.10953	6.4
159.08076	6.6
159.11667	21.4
161.09659	5.3
161.13263	8.7
163.11140	9.3
165.06963	9.0
165.09108	24.7
166.07774	4.7
167.08575	16.7
167.10698	9.9
168.09328	6.0
169.10132	28.5
170.10924	9.8
171.11682	31.8
172.12460	5.0
173.13275	23.6
175.11230	8.5
175.14861	11.6
179.08577	15.4
180.09393	8.0
181.10175	20.8
181.12241	6.9
182.10909	11.9
183.11662	32.7
185.13251	23.2
187.14810	8.9
189.12836	7.5
191.14319	12.8
192.09265	7.0
193.10124	22.7
194.10857	9.5
195.11697	27.7
196.12534	7.8
197.13216	23.8
199.14828	18.3
203.14308	13.7
205.10107	7.8
207.11732	23.5
207.13504	4.6
208.12427	7.0
209.13333	30.5
211.14799	11.9
217.15903	10.8
218.10919	5.0
219.11656	7.5
220.12546	4.6
221.13234	21.0
221.15384	63.5
223.14832	16.0
225.16406	7.1
233.13194	13.6
233.15326	5.8
234.14302	5.9
235.14868	12.6
237.16302	9.7
239.18054	5.6
245.13318	8.7
247.14772	6.8
249.16460	12.3
251.17809	7.8
257.19135	7.3
260.15814	5.4
261.16400	7.8
263.17978	8.8
265.19427	12.9
269.18909	6.5
273.16299	8.5
275.17972	14.6
283.20654	15.1
289.19577	5.1
295.20651	6.0
299.20322	5.0
307.20660	5.7
317.05923	4.1
319.20547	4.9
331.24246	6.4
341.30453	5.4
349.25424	5.6
370.50735	5.2
403.29996	6.2
458.66895	4.2
547.39154	5.8
565.40356	22.2
583.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00867	0.3
52.65369	0.2
55.05515	2.6
56.96565	17.1
62.69870	0.3
65.77766	0.3
67.05495	0.6
71.59808	0.5
71.95251	1.2
72.96037	0.7
74.97608	0.9
79.37801	0.3
81.07059	0.4
83.08617	1.9
84.96020	0.3
92.98602	0.4
93.07025	0.4
95.08547	0.3
97.96794	0.4
107.08585	0.4
109.10149	0.4
110.97583	0.5
123.01174	0.5
127.03889	0.3
128.98605	0.9
133.01730	0.6
134.99606	0.4
137.02721	0.4
137.05936	0.8
139.00600	0.3
141.02203	0.5
146.99622	1.2
155.03822	0.9
159.03252	0.8
161.01221	0.3
165.00679	0.3
165.29294	0.3
168.93481	0.3
169.01733	0.4
171.03290	1.1
173.04875	0.9
181.05276	0.4
183.03185	0.4
185.04903	1.3
187.02794	0.5
187.06410	0.7
189.04382	0.7
189.08006	1.2
191.05920	0.3
193.08771	0.3
195.06982	0.7
197.04823	0.5
197.08516	0.5
199.04791	0.4
199.06413	2.2
201.04330	0.6
201.07988	0.6
203.05899	1.7
203.09535	0.3
205.07411	0.6
207.06920	0.5
207.08942	0.5
209.04968	0.3
211.06380	0.9
213.07970	7.7
215.05836	0.3
217.07468	4.1
219.09012	0.5
221.08533	0.4
223.10107	1.0
224.61339	0.3
225.07951	3.7
225.11571	0.4
227.09419	0.3
229.07497	3.1
231.09032	13.7
233.10474	0.4
235.06425	0.3
236.09560	0.4
237.04536	0.3
237.08018	2.0
239.09546	4.1
241.11086	8.7
243.09039	4.0
245.10580	0.5
247.08553	2.3
251.09531	6.1
253.07312	0.3
253.11075	1.1
254.10547	0.4
255.09050	3.0
257.10626	4.1
259.12173	12.2
261.10031	0.5
262.11279	0.3
264.12686	0.6
269.10605	40.1
270.10864	0.9
271.12119	1.1
273.09985	1.7
275.11691	0.4
282.13806	0.4
287.11649	20.9
292.12204	3.8
299.11505	0.4
307.16049	0.3
307.19489	0.3
309.17447	0.7
310.13248	0.9
315.16302	0.7
321.17252	0.3
323.18860	0.6
333.17334	12.7
339.18466	0.7
351.18402	28.9
352.18863	0.7
369.19467	100.0
370.19788	1.8
371.19693	0.6
374.19901	3.1
387.20520	71.1
388.20895	0.8
392.21201	0.8
401.22369	0.3
410.22110	13.7
411.22385	0.6
415.23630	0.4
583.35864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05494	0.6
57.03412	0.9
61.02923	0.8
69.03424	2.7
69.72689	2.7
71.04991	5.6
72.92296	0.3
73.02904	0.8
81.03390	1.4
83.04970	2.4
84.08146	1.9
85.02905	13.4
87.04464	0.5
91.05483	3.8
94.92957	0.5
97.02888	2.9
99.04440	0.4
109.02872	0.7
111.04399	0.9
112.11246	4.0
112.89554	1.0
114.89252	0.5
119.04942	11.4
127.03882	1.3
129.05505	1.9
129.13879	3.7
130.64571	0.4
145.04912	0.8
147.04401	86.1
148.04802	0.5
155.11795	2.2
204.10191	66.7
245.04877	0.5
248.89761	0.6
275.17532	12.9
290.13873	0.4
457.13950	0.4
469.10641	0.5
512.21783	2.3
583.28595	100.0
584.28851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05499	0.6
56.44202	0.3
57.03414	1.1
58.06590	0.3
61.02916	0.7
65.03942	0.7
69.03423	2.9
69.63541	1.8
71.04990	6.0
73.02913	0.4
81.03403	1.3
83.04962	2.7
84.08140	2.3
84.15913	0.3
85.02901	14.9
87.04462	0.4
91.05477	4.3
97.02900	2.5
99.04444	1.0
109.02856	0.7
111.04421	1.1
112.10527	0.5
112.11238	5.2
118.01883	0.3
119.04940	14.5
127.03905	1.5
129.05519	1.5
129.13870	3.9
145.04907	0.8
147.04404	100.0
148.04749	1.0
148.33322	0.3
155.11771	2.2
160.07585	0.4
170.38499	0.3
204.10196	74.3
205.10532	0.8
209.87590	0.3
244.58440	0.3
275.17532	13.9
512.21246	2.0
583.28595	73.7
584.29102	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.7
67.05504	12.0
69.03406	5.1
69.07066	5.8
69.35322	4.3
79.05482	17.4
79.33588	4.7
81.07073	21.9
82.86198	4.5
83.08582	5.4
91.05466	24.9
93.07050	25.6
93.37521	4.4
95.04957	46.4
95.08624	8.6
105.07038	49.5
107.08588	29.9
109.06487	7.1
109.10152	9.7
117.07023	19.5
117.45945	4.4
119.08566	48.6
121.06503	6.3
121.10126	26.5
123.08078	14.7
128.06209	8.0
129.06992	17.6
130.07825	5.2
131.08574	36.0
132.09390	5.7
133.10133	16.4
135.08073	13.2
141.06938	8.4
142.07796	13.8
143.08549	42.4
144.09322	10.6
145.10112	43.4
147.11699	11.0
149.42265	4.3
151.11166	8.6
155.08537	16.8
156.09309	16.5
157.10127	44.1
158.10982	7.6
159.08067	10.1
159.11665	21.9
161.09639	14.5
161.13300	4.5
165.06917	7.5
167.08589	9.6
167.10728	6.3
169.10136	27.5
171.11729	24.0
173.09656	13.4
173.13229	10.0
175.11179	5.1
179.08553	10.5
180.09326	6.9
181.10176	14.2
182.10858	8.3
183.11726	28.9
185.09602	8.4
185.13263	16.0
187.11234	6.9
188.12082	6.5
189.12781	9.2
191.14291	8.0
192.09346	6.3
193.10092	12.0
195.11754	23.9
197.09624	5.6
197.13269	20.8
199.11203	12.7
199.14728	7.6
201.12752	7.7
205.10129	7.0
206.10893	6.1
207.11714	13.8
208.12352	7.6
209.13272	19.4
211.11153	7.0
211.14778	10.4
213.12744	11.9
215.14287	4.7
219.11763	7.4
220.12431	8.3
221.13231	9.3
223.11243	6.3
223.14784	13.6
225.12802	9.8
227.14314	19.0
233.13322	10.6
235.14830	6.4
237.12717	5.7
239.14246	6.5
246.75049	4.7
247.14862	6.8
249.12627	6.6
253.15897	6.5
259.14786	6.3
261.16306	10.7
265.15881	7.6
269.19208	6.0
271.16965	5.6
273.16241	5.9
273.18579	61.3
277.15714	5.4
286.19312	7.3
289.15897	7.1
291.17410	6.7
299.20062	20.2
319.20721	5.0
335.81558	5.4
337.21661	24.6
351.23209	10.3
352.23947	100.0
353.24677	8.2
363.23090	6.9
365.24792	12.2
434.28351	7.7
444.30231	45.2
490.34222	16.6
582.40674	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	582.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.80547	0.4
55.01865	0.7
55.05505	2.6
57.03435	0.6
57.07067	1.3
59.04995	1.1
65.03944	0.4
65.87579	0.5
67.05499	6.8
68.05843	1.1
69.03426	5.0
69.07077	2.6
71.04983	1.0
71.05354	0.9
72.90392	0.3
73.96040	0.3
75.04509	0.3
79.05489	5.5
80.05820	0.8
81.07057	10.0
82.07382	1.4
83.04972	3.1
83.08611	1.7
85.06547	0.6
86.06057	1.9
90.05555	8.7
91.05464	4.9
93.07037	12.0
94.07355	1.1
95.04965	2.5
95.08602	10.5
96.08947	1.2
97.06518	0.8
97.10154	1.1
99.04489	0.5
105.07027	7.0
107.08596	13.5
107.85190	0.4
108.08941	0.9
109.02886	0.6
109.06516	4.5
109.10155	8.0
110.10474	0.5
111.04456	2.5
111.08070	1.6
114.05536	1.7
117.06999	1.7
119.08574	10.8
120.08910	0.6
121.06514	1.0
121.10138	10.1
122.10487	0.8
123.08057	2.7
123.11690	4.4
123.25329	0.4
125.05993	2.0
125.09644	1.2
128.06227	0.5
129.07034	1.0
131.08582	4.4
132.06563	10.1
132.08812	0.7
133.10126	9.6
134.10532	0.7
135.08057	3.8
135.11682	12.5
136.12073	0.9
137.05966	0.7
137.09602	1.1
137.13239	0.7
139.07530	1.4
140.08258	0.9
141.09123	1.7
142.07793	0.5
143.08557	2.4
145.10118	4.9
146.10530	0.5
147.08093	0.7
147.11678	5.2
149.09604	5.6
149.13257	2.6
151.11150	0.6
153.09087	2.3
153.12692	0.5
155.08533	0.6
156.09395	1.1
157.10138	3.7
158.10919	0.4
159.08043	1.1
159.11720	5.2
160.12093	0.6
161.09610	1.9
161.13271	3.0
163.07541	14.9
163.11189	1.0
163.14854	1.6
164.15131	0.6
167.10640	2.1
169.10124	0.7
170.10847	0.4
171.11688	3.4
173.09630	0.6
173.13242	3.2
174.13618	0.4
175.11174	1.9
175.14818	2.3
177.09120	4.6
177.12793	1.0
177.16447	0.5
179.10635	0.9
181.12250	0.6
183.11668	1.4
185.13234	2.8
187.11209	0.8
187.14827	3.1
189.12683	2.1
189.16403	1.1
191.14279	0.4
191.17946	2.1
195.10159	5.6
195.11731	0.4
197.13335	1.1
199.14850	1.7
201.12733	0.8
201.16365	2.4
203.10709	0.5
203.14357	1.4
203.17990	2.0
211.14848	0.6
213.12863	0.7
213.16397	1.4
215.14307	0.9
215.18045	0.4
217.12408	0.5
217.15897	1.7
223.14720	0.5
225.16289	0.6
227.14320	0.6
229.15932	0.9
231.13802	0.6
241.15967	0.7
243.21188	0.4
244.21446	1.7
245.11845	0.7
245.15482	0.9
247.13176	0.8
255.17355	0.5
255.21117	1.6
259.16776	0.4
261.14841	1.1
261.22153	2.1
262.22415	4.3
263.22833	0.5
264.23184	0.5
287.19870	0.5
293.22449	0.7
297.18576	0.5
303.19376	1.0
311.20184	0.6
311.23611	1.1
315.19565	3.5
317.21198	2.0
329.21063	5.2
330.95941	0.4
336.26190	1.0
343.22650	0.8
353.26904	1.0
354.27213	3.5
355.22638	1.2
355.27118	0.4
356.27628	0.7
357.24014	0.8
367.26593	0.6
433.31021	1.3
451.32059	100.0
452.32523	2.0
493.26901	0.4
564.27606	0.5
582.37878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05506	15.4
57.07071	3.7
66.83197	3.3
67.05486	26.2
69.03429	7.3
69.07061	14.9
70.07224	12.2
79.05505	18.3
81.07059	31.0
83.04981	5.6
83.08606	4.9
91.05485	34.3
93.07049	43.3
95.04967	16.5
95.08610	25.1
97.06551	4.1
103.05391	3.6
105.07035	55.9
107.08605	29.1
109.06536	9.7
109.10175	12.8
117.07017	13.1
119.08582	41.4
121.06505	10.9
121.10140	64.4
123.08040	10.6
123.11720	8.6
124.12030	3.4
125.08421	3.7
128.06235	5.1
129.07016	9.9
131.08542	23.5
133.06479	4.0
133.10127	69.2
135.08057	12.1
135.11702	14.9
137.09637	7.0
141.06984	7.0
142.07767	13.3
143.08516	19.9
145.06554	4.1
145.10115	34.4
147.08058	14.2
147.11693	12.4
149.09657	21.1
151.07509	8.0
155.08522	11.1
156.09360	11.2
157.10115	35.4
158.10832	4.7
159.07999	6.4
159.11635	19.1
161.09608	4.3
161.13322	3.7
163.11218	5.2
165.07027	4.5
165.09131	12.0
167.08586	7.6
167.10678	58.1
169.10130	13.2
170.10968	6.2
171.11743	26.0
173.09610	7.2
173.13239	21.6
175.14828	9.9
179.08505	6.0
180.09286	5.2
181.10147	10.4
182.10933	9.3
183.11674	14.2
185.09633	8.7
185.13258	13.2
187.11253	4.8
187.14845	11.5
189.12650	5.0
193.10071	5.9
195.11688	13.0
196.12466	5.2
197.13272	13.6
199.14818	10.8
201.16402	6.0
203.14328	7.1
205.10265	4.4
206.10887	4.1
207.11650	10.2
207.13588	5.1
208.12442	6.0
209.09770	4.0
209.13313	13.3
211.11128	6.0
211.14821	6.2
213.12753	4.0
215.14371	5.4
217.15956	4.4
219.11620	5.6
221.13255	9.6
221.15388	25.8
223.11246	4.3
223.14803	4.9
225.12840	5.5
225.16417	4.4
231.11484	4.7
233.13133	10.0
233.15384	20.9
239.18036	5.2
245.13164	4.5
247.14848	4.3
259.14856	7.1
277.19592	3.9
373.25433	5.6
407.29257	5.2
563.38824	18.0
581.39685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.4
57.07071	9.6
61.12450	2.4
67.05508	21.6
69.03417	8.1
69.07063	18.2
71.04974	2.8
77.03948	2.3
79.05490	22.3
81.03439	2.2
81.07055	34.0
83.04977	4.5
83.08616	5.7
91.05477	30.7
93.07048	39.6
95.04980	17.4
95.08612	27.9
97.06531	6.5
103.05482	6.0
105.07031	55.8
107.08591	35.6
109.06521	11.2
109.10158	18.2
111.08122	3.6
115.05461	3.6
117.07034	13.3
119.08577	52.9
121.06511	8.9
121.10141	53.8
121.11009	3.1
123.08056	20.5
123.11713	9.5
125.05972	5.1
125.09632	5.1
128.06238	6.7
129.06987	13.0
130.07750	2.9
131.08572	24.7
133.06526	3.1
133.10129	49.5
133.11086	4.4
135.08037	11.0
135.11707	15.0
137.09647	8.8
139.11174	2.7
139.50307	2.5
141.06979	4.7
142.07779	17.7
143.08554	22.6
144.09326	5.2
145.10118	41.2
147.08012	16.2
147.11687	16.4
148.68884	2.1
149.09627	20.9
149.13292	2.6
151.07536	15.3
153.06949	2.3
154.07805	2.7
155.08601	11.0
156.09372	11.5
157.10133	38.4
158.10889	4.1
159.08093	8.4
159.11702	21.7
161.09647	6.9
161.13284	7.0
163.11203	6.5
165.07066	5.4
165.07846	2.7
165.09074	23.5
166.07785	2.8
167.08522	6.9
167.10677	38.0
168.09375	4.1
169.10114	23.9
170.10948	4.3
171.08092	4.1
171.11690	14.2
173.09587	6.6
173.13245	22.9
175.11217	4.9
175.14835	8.5
177.12723	2.7
179.08624	6.7
180.09346	5.1
181.10150	9.9
181.12242	6.3
182.10916	6.5
183.11705	16.7
185.09659	7.5
185.13208	12.9
187.11209	4.7
187.14760	16.0
189.12773	8.7
191.08577	2.7
192.09375	3.4
193.10172	10.7
193.12039	2.2
194.10936	6.8
195.11708	15.7
195.13515	3.4
196.12524	7.6
197.09651	2.7
197.13274	14.9
199.11116	3.9
199.14888	10.7
203.14351	10.1
205.10191	3.5
206.10876	4.3
207.11731	13.8
207.13814	6.6
208.12569	6.0
209.09767	2.5
209.13336	13.4
209.15031	2.5
210.10648	2.8
211.11256	4.9
211.14873	12.7
213.12740	2.5
213.16425	5.9
215.14287	5.8
219.11761	6.4
219.13904	2.3
220.12645	2.7
221.13306	9.6
221.15321	56.2
222.14101	3.5
223.14812	5.9
225.12764	4.7
225.16376	2.7
227.14233	3.7
229.09979	2.3
229.72066	2.4
231.11719	5.7
232.12630	2.9
233.13263	9.7
233.15422	13.3
234.14076	5.2
235.14821	7.7
237.12665	3.0
237.16394	6.2
239.14375	3.3
239.17773	5.3
243.11604	2.5
245.13306	4.3
247.14850	5.5
248.15756	4.3
249.16457	5.5
251.18095	4.7
253.19566	2.9
257.13272	3.3
258.14084	2.7
259.14804	5.0
260.15640	2.5
261.16418	6.7
263.17935	3.2
265.15884	3.8
265.19589	3.5
269.13190	2.6
269.19031	2.4
273.16254	2.7
275.14670	2.0
275.17926	4.7
287.05365	2.6
289.20151	2.5
295.20517	2.4
299.17480	2.5
299.20428	2.9
302.75958	2.3
312.20920	13.1
359.23816	3.5
373.25278	5.4
377.65842	2.8
377.70242	3.3
393.24677	2.5
399.27097	2.8
405.30331	2.4
407.29422	3.2
425.28400	2.9
505.58810	2.5
545.37964	6.3
553.40247	4.7
563.39008	20.7
581.39880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61605	0.4
55.05513	0.6
56.96548	1.3
67.94566	0.5
69.03429	0.5
71.44925	1.0
78.37532	0.6
81.03412	1.0
81.07056	0.5
85.02840	0.6
91.05454	0.5
95.08583	0.7
97.02894	0.5
106.11955	0.5
107.04955	5.6
108.05270	1.5
109.02877	0.7
116.38111	0.5
120.06702	0.4
122.56065	0.5
127.03908	0.9
139.85605	0.5
147.67973	0.4
210.14758	0.5
241.12132	1.1
285.10962	52.5
303.12137	0.9
319.07867	19.1
321.35931	0.5
326.13733	0.9
337.08902	1.6
367.18027	0.8
385.19034	0.6
417.11707	0.8
581.19855	100.0
582.20282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39872	6.8
55.05515	14.7
67.05499	41.5
68.14248	7.4
69.07056	18.7
69.27211	55.5
69.27634	31.3
74.01055	6.5
79.05493	15.2
81.07059	40.5
83.08639	10.0
89.93842	7.7
91.05466	8.6
93.07053	37.7
95.08619	52.1
105.07001	11.0
105.77934	7.5
107.08592	25.4
109.10117	8.1
109.28524	7.1
121.10139	9.6
133.10109	8.6
135.11708	31.7
137.68513	7.2
163.11150	42.0
173.42827	6.9
227.12787	84.0
283.15475	53.9
337.27286	100.0
545.38226	54.2
562.15753	9.8
562.25061	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	581.1504
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.05522	0.1
57.03439	0.6
61.02919	0.2
67.01863	0.3
68.99802	0.2
69.03416	0.3
70.06577	0.4
70.09893	0.1
72.08147	0.1
73.02919	1.4
74.06067	0.1
74.95945	0.1
79.87460	0.1
81.03417	0.1
84.04481	0.1
84.08158	0.1
85.02911	0.4
86.09698	0.3
89.03906	0.1
93.07072	0.1
97.02893	0.3
98.21561	0.1
107.04973	0.3
109.02870	0.2
115.03911	0.2
117.03362	0.1
120.08091	0.3
133.06555	0.1
135.04411	1.4
137.02373	0.5
147.04329	0.1
153.01830	3.3
161.02345	0.3
161.05908	0.1
171.02872	0.6
171.04172	0.1
179.03410	0.2
198.97203	0.1
203.03503	0.1
213.05394	0.1
219.06531	0.1
231.06421	0.1
241.04962	0.4
245.04379	0.1
259.05975	0.1
269.04495	0.3
286.04742	0.1
287.05490	100.0
288.05872	0.7
313.11835	0.2
336.66794	0.1
373.13852	0.2
449.10800	9.7
470.24155	0.1
521.43195	0.1
581.15149	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01857	3.4
55.05510	6.5
56.05024	4.4
56.96557	1.3
57.03425	2.7
60.04523	100.0
61.02906	1.8
64.80077	0.8
67.05495	11.7
67.74081	0.9
68.04992	1.0
68.99758	1.0
69.03426	11.8
69.07062	4.7
70.06577	3.5
71.04992	2.5
71.18970	2.1
72.04520	3.0
73.02913	2.4
74.06067	4.4
79.05488	8.2
80.05013	2.0
81.03409	11.3
81.07052	13.6
82.03748	0.9
82.06566	1.7
83.04991	1.2
83.08612	2.8
84.04486	1.0
85.02901	19.1
86.06062	3.1
86.09686	1.4
87.00824	5.5
87.04435	1.2
90.05543	1.3
91.05486	5.9
93.07034	8.8
94.06561	1.6
95.04980	2.1
95.08604	10.1
96.08138	1.7
97.02895	7.1
97.06548	2.1
97.10163	1.5
99.04459	5.0
102.05537	2.6
102.67162	0.8
104.07110	2.0
105.01852	4.5
105.07040	5.1
107.08588	4.3
109.02876	8.2
109.06525	1.4
109.10145	3.3
110.09650	1.0
111.08012	1.2
117.06980	1.2
119.08579	2.9
120.08145	4.7
121.10122	5.1
123.11729	1.9
127.03916	13.5
129.01834	1.5
130.06500	1.2
131.08586	1.8
132.08110	2.2
133.10118	3.1
134.09665	0.9
135.08136	0.9
135.11691	3.5
139.36348	1.0
144.08095	1.1
145.04910	2.6
147.11693	1.6
149.09569	0.9
153.01726	1.0
159.02901	2.7
159.09213	7.6
161.13264	0.9
187.05989	1.1
206.10231	1.3
221.78549	0.9
260.23785	2.9
262.26437	0.9
278.24768	8.0
296.25906	13.1
300.05862	1.1
301.15607	1.6
310.11279	2.5
314.26877	30.8
318.18066	0.9
332.27936	82.2
374.29062	4.3
399.10635	1.4
400.11169	2.9
417.11600	1.7
418.12134	6.0
494.33582	1.7
518.33521	1.4
526.30444	1.9
536.34222	6.9
544.31488	1.7
562.32288	7.3
580.25244	3.0
580.33234	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63078	4.7
52.72528	4.4
53.03937	5.6
55.01881	8.4
55.05524	23.8
57.03417	10.2
57.90377	4.4
63.27033	4.5
64.82300	4.1
65.00846	4.5
67.05164	8.9
67.05503	100.0
69.07068	19.1
71.05003	10.4
79.05494	51.6
81.03412	9.1
81.07053	85.4
83.04980	12.8
83.08617	13.6
85.02934	5.4
91.05488	39.7
93.07053	56.5
95.04961	15.6
95.08617	62.3
97.06575	10.0
97.10199	6.5
105.07023	22.9
107.04948	15.5
107.08585	38.7
109.06521	6.4
109.10155	35.0
111.04446	12.2
111.08056	5.6
112.46851	4.2
117.07049	12.8
119.08636	23.4
121.06493	4.9
121.10150	29.3
123.11682	15.9
125.09631	11.4
129.06999	7.5
131.08559	21.6
133.10141	11.8
135.08043	5.9
135.11714	31.7
143.08556	7.7
145.10092	28.7
147.11694	14.9
149.09592	7.7
149.13287	10.3
153.12759	5.1
155.08569	10.0
157.10249	8.1
159.11703	9.1
161.13263	4.5
163.11192	24.1
171.11761	5.4
173.09683	10.9
173.13274	9.4
175.15002	5.1
181.12253	12.7
183.22409	4.5
191.10713	19.8
209.11632	8.6
227.12834	15.7
243.21114	8.6
245.13878	5.6
259.20471	5.7
261.22177	23.3
265.14413	14.1
271.05984	50.1
279.23108	11.2
281.01755	5.5
283.15466	27.2
301.16455	19.7
317.24847	6.3
333.24683	14.7
335.25751	26.6
341.04095	6.1
353.26581	67.4
372.41501	4.9
433.11316	6.0
489.35757	7.2
519.24988	5.3
543.36853	15.3
561.37860	17.6
579.26923	14.5
579.37537	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01849	1.0
55.05510	11.8
57.03434	9.6
57.07066	3.7
62.98300	0.8
65.03934	1.3
67.05502	45.2
69.07066	14.6
69.08400	0.8
70.82854	1.8
70.83228	2.0
71.04982	1.9
71.08625	2.3
79.05487	15.0
81.03407	9.5
81.07054	49.7
83.08614	8.8
85.02880	1.9
85.06582	1.3
85.10177	1.4
91.05461	9.3
93.07040	16.2
95.04964	2.5
95.08603	46.1
97.06543	2.3
97.10173	4.4
98.98464	98.7
99.04448	3.2
99.08099	1.9
105.07023	6.2
107.08575	9.1
108.18450	1.0
109.02872	7.0
109.10157	18.1
116.99497	3.4
119.08549	4.6
121.10133	11.2
122.52157	1.0
123.08170	1.1
123.11694	8.4
125.09624	1.3
125.60297	1.0
127.03925	1.7
133.10124	7.0
133.28171	0.9
135.11684	4.9
137.09680	1.1
137.13277	3.2
140.01068	1.5
145.10121	1.1
147.11719	5.6
149.13289	4.9
151.11333	1.0
151.14825	3.3
155.01035	100.0
161.13255	3.9
163.14835	3.2
165.16403	1.2
170.56589	0.9
173.02086	1.7
175.14833	3.5
177.16376	1.1
179.14325	1.0
179.17885	1.7
184.81493	0.9
189.16415	1.8
190.96254	1.1
243.02690	2.1
245.22639	14.2
263.23700	25.7
271.06036	2.0
287.05496	2.2
299.05292	2.7
317.06342	11.3
319.26184	1.6
337.27356	70.0
349.53265	1.0
364.43448	1.0
407.28421	1.4
425.28973	3.4
557.25458	1.0
561.27930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60919	1.1
53.03945	2.8
55.01863	4.4
55.05511	11.1
57.03430	4.8
57.07069	4.2
65.03932	1.2
67.05502	62.2
69.03429	4.2
69.07065	10.7
70.85319	3.1
71.05000	2.1
73.02906	4.1
75.04473	1.5
79.05489	34.0
81.03416	4.5
81.07055	67.8
83.04958	2.1
83.08636	6.6
85.02894	3.7
85.06538	1.8
87.31677	1.3
91.05478	17.4
93.07039	44.6
95.04962	1.9
95.08599	56.5
97.06519	2.8
97.10170	3.7
98.98471	1.4
99.04446	3.0
99.08096	2.2
105.07026	15.3
105.60300	1.1
107.07864	1.6
107.08593	32.6
107.09293	2.3
109.02879	6.5
109.06532	1.5
109.10148	29.3
110.03674	3.5
111.04449	4.5
113.09669	1.8
117.07005	8.0
119.08577	14.8
121.10133	28.8
123.11707	19.7
125.09617	2.1
127.03901	6.2
131.08565	18.3
132.99544	1.5
133.10112	12.2
135.11684	26.3
137.13235	7.1
139.11153	1.2
143.08459	1.2
145.10112	14.7
147.11697	10.0
149.09608	1.5
149.13235	17.8
150.01099	1.2
151.11270	2.2
151.14830	1.8
155.01022	1.6
157.10144	1.7
159.11687	15.2
161.13234	8.6
163.14824	12.4
165.12778	1.9
173.13277	17.0
175.14864	2.0
177.12852	1.4
177.16452	4.2
179.14365	3.2
187.14871	7.0
191.00136	3.4
201.16388	2.7
213.75166	1.1
233.22661	3.9
240.08142	1.1
243.21071	27.5
243.23332	2.2
251.14555	1.4
261.22134	100.0
262.22482	2.2
263.23682	2.3
279.23093	4.3
303.22885	1.4
317.24725	1.4
335.25781	14.8
337.27325	1.9
351.02866	1.1
353.26859	69.5
354.27063	1.9
369.24353	3.0
377.26700	1.3
419.27380	1.3
427.69095	1.3
451.21228	2.7
469.22681	1.7
561.27380	4.7
579.37415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.57715	0.9
55.01864	3.4
55.05505	12.1
57.03432	3.9
57.07074	3.4
64.96825	0.8
65.03933	2.1
67.05501	54.8
69.03422	4.0
69.07059	10.9
69.45834	0.9
70.08778	3.7
71.04992	3.5
71.08623	1.6
73.02906	4.3
79.05487	32.3
81.03403	6.5
81.07051	63.3
83.04978	1.9
83.08618	6.7
85.02906	3.9
85.06541	2.0
91.05475	20.0
93.07038	43.9
95.04992	4.9
95.08600	49.8
97.02913	1.9
97.06520	3.4
97.10155	3.5
98.98464	10.4
99.04445	3.0
99.08087	1.9
105.04493	1.1
105.07026	16.0
105.76366	1.0
107.08585	33.1
109.02880	8.4
109.06480	2.0
109.10145	30.4
110.03656	4.0
111.04456	2.7
111.08083	1.8
113.09614	1.4
117.07009	9.1
119.08566	15.4
121.10131	28.2
123.11713	16.2
125.09611	1.4
127.03905	4.1
131.08560	18.4
132.99551	1.8
133.10126	12.1
135.11676	22.9
137.09608	2.5
137.13237	7.1
139.11220	1.2
143.08568	1.7
145.10089	13.6
147.11711	9.7
149.09590	1.0
149.13257	18.1
149.70296	0.9
151.11180	2.7
151.14824	2.4
153.12773	1.6
155.01001	11.9
157.10143	1.5
159.11676	14.0
161.13248	7.3
163.11172	1.5
163.14801	11.1
165.12746	1.7
165.16360	1.0
171.11650	1.1
173.13261	15.2
175.14783	2.8
176.79880	1.1
177.16269	5.8
179.14310	2.2
187.14841	7.9
189.16339	1.0
191.00053	4.2
191.14326	1.6
201.16356	3.0
209.01122	1.2
219.17525	1.5
224.94267	0.9
233.22691	5.1
243.21071	25.2
245.22551	2.0
254.41426	0.9
261.22119	100.0
263.23779	4.3
279.23254	3.6
285.22083	1.2
303.23120	1.6
317.24881	1.9
335.25858	9.6
337.27319	8.0
353.26865	75.2
369.24088	3.0
377.26740	2.2
389.26785	1.5
396.15826	1.1
407.27988	1.5
433.20288	1.8
443.28003	1.3
451.21420	2.8
469.22949	2.3
543.25879	1.5
561.27124	6.4
561.37939	1.8
579.28302	1.7
579.38141	2.3
597.89709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01866	0.4
57.03416	0.3
61.02905	0.5
65.03911	1.1
67.05476	0.7
69.03423	1.7
70.06594	1.3
70.68986	0.2
71.35039	0.3
71.35357	0.4
72.08147	0.4
73.02906	0.3
77.03899	0.2
78.04704	1.9
79.05478	1.1
81.03417	1.2
81.07059	0.5
82.06519	0.3
84.04482	0.7
84.08129	1.0
85.02515	0.2
85.02918	2.9
86.09698	1.0
87.04465	0.5
91.05464	0.9
95.04944	1.1
97.02901	1.3
97.06540	0.4
103.05436	1.0
106.04141	1.3
107.04927	0.8
108.02096	0.3
109.02873	0.4
110.03671	0.5
115.05465	3.1
117.07021	6.0
119.08585	0.3
120.08109	0.5
121.02853	0.3
123.04426	6.2
124.05215	2.0
125.05973	0.4
127.03920	0.6
127.05400	0.6
129.10316	0.3
131.04926	0.4
136.07547	0.4
137.05939	0.9
138.03113	0.7
142.02596	0.5
143.04913	0.3
145.06483	10.6
147.08014	0.7
151.03917	1.3
152.04701	1.4
155.04930	0.4
155.06044	2.4
161.06023	0.6
167.07040	100.0
168.07365	0.3
171.06502	1.8
173.05986	19.2
175.07498	0.7
181.04956	22.5
187.04065	0.3
191.07118	0.3
201.05545	0.8
203.06856	0.3
205.08604	3.9
221.08147	0.3
233.08090	5.0
235.09599	4.2
271.10608	0.3
280.07211	0.2
300.11462	0.3
331.12747	0.8
355.11792	0.2
387.14404	17.3
417.15454	11.6
573.29968	0.3
579.20709	42.4
580.21039	0.8
597.92273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.31430	0.3
50.32211	0.3
53.03932	0.4
55.01862	0.7
55.78015	0.3
57.03421	0.6
60.35616	0.3
61.02906	0.3
65.03939	1.4
67.05483	0.5
69.03432	1.7
70.06571	0.9
71.04975	0.3
71.60429	0.3
72.08115	0.4
73.74847	0.3
74.17212	0.3
78.04713	1.8
79.05481	1.0
81.03399	0.6
81.07046	0.4
84.08134	0.5
85.02908	2.9
86.09692	0.7
86.73542	0.3
87.04436	0.3
91.05451	1.0
93.03387	0.3
95.04984	1.4
97.02880	1.0
97.06454	0.4
103.05457	0.9
105.07037	0.5
106.04161	1.0
107.04935	1.4
109.02843	0.4
110.03654	0.6
111.04420	0.5
115.05450	3.4
117.07017	5.5
119.08594	0.3
123.04422	5.9
124.05199	2.2
125.06005	0.7
127.05421	0.8
135.04375	0.3
137.05914	0.6
138.03082	0.6
143.04927	0.5
144.05734	0.5
145.06479	10.6
147.08061	0.5
151.03885	1.2
152.04700	1.8
155.06017	2.8
161.05959	0.5
163.03914	1.0
167.07034	100.0
168.07397	0.5
171.06448	1.4
173.05978	18.8
175.07530	0.8
181.04951	22.3
191.07097	0.3
193.08598	0.5
197.52933	0.3
201.05455	0.7
203.06920	0.3
205.08588	4.0
205.23549	0.3
233.08040	6.0
235.09628	4.2
327.12869	0.3
341.10138	0.3
355.11661	0.3
358.21597	0.3
377.15421	0.3
377.55405	0.4
387.14362	17.5
399.14609	0.6
417.15524	12.5
535.95459	0.3
579.20709	44.8
580.20709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Kaempferol-3,7-O-di-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03942	0.4
55.01860	0.2
55.05502	0.6
57.03434	2.6
57.75414	0.2
59.04998	0.2
59.21152	0.2
61.02927	0.3
68.99801	0.3
69.03414	0.3
69.50966	1.5
70.06582	0.6
71.04989	15.6
72.08141	0.2
72.72121	0.2
73.02892	0.3
75.04472	0.5
77.27709	0.2
79.25134	0.2
83.04963	0.5
83.82105	0.2
85.02902	17.7
85.07664	0.7
86.09704	0.5
86.89816	0.2
87.04462	0.7
98.21413	0.5
100.11256	0.6
105.03345	0.3
111.00771	0.5
111.04443	0.5
121.02843	1.6
126.10256	0.9
127.03900	0.2
129.05484	4.2
131.11559	0.2
133.02884	0.4
137.02333	0.5
147.06488	0.5
153.01808	1.8
158.49684	0.2
165.01837	1.6
167.07054	0.9
170.50334	0.2
173.06010	0.3
175.07494	0.2
183.02821	0.7
184.97244	0.2
203.07112	0.2
209.16316	0.2
213.05318	1.1
231.06516	0.4
238.15968	0.2
241.04988	0.6
246.14902	0.4
246.64978	0.3
258.05255	0.8
259.05893	0.3
271.05930	0.7
287.05481	100.0
288.05737	0.4
308.02823	0.2
397.09268	0.3
415.10004	0.2
433.11295	7.2
435.33228	0.2
453.34552	1.1
454.34592	0.3
458.39163	0.2
543.48700	0.2
579.20605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
50.72784	0.1
51.07499	0.1
53.92513	0.1
57.03405	0.4
67.01837	0.3
68.99484	0.1
68.99799	0.2
69.03413	0.2
69.79002	0.2
69.79419	0.4
70.06573	0.1
71.04990	3.3
75.04445	0.2
81.07027	0.1
81.11747	0.1
83.04939	0.1
85.02900	3.7
87.04446	0.1
91.05442	0.3
98.20857	0.2
111.04348	0.1
111.13706	0.1
112.55815	0.1
112.83479	0.1
114.74196	0.1
119.04942	1.2
121.02842	0.3
129.01839	0.1
129.05470	0.8
145.02800	0.4
153.01822	2.9
163.03882	0.4
165.56929	0.1
167.06958	0.2
171.02870	0.7
181.04945	0.1
202.06837	0.1
203.07053	0.1
225.05438	0.3
229.05017	0.2
229.07368	0.1
243.06577	0.3
247.05922	0.1
271.05991	100.0
272.06308	0.6
366.19666	0.1
399.10773	0.1
417.11707	0.2
433.11304	12.9
568.73511	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28595	0.8
59.04998	100.0
67.05506	1.4
69.07088	0.7
69.37178	8.2
70.06586	2.2
73.06542	4.3
74.09705	4.9
79.05486	1.5
80.40238	0.7
81.07053	1.8
83.08606	0.9
85.02882	1.9
85.06547	6.7
86.09702	2.3
87.04464	12.7
89.06025	82.6
93.07037	1.5
95.04947	0.8
95.08595	1.5
97.06506	2.2
100.11367	0.8
103.07574	83.7
105.06966	1.2
107.07063	3.6
107.08591	1.1
110.06071	1.2
117.09118	3.6
119.08585	1.4
120.08110	1.5
121.10155	3.5
130.08574	1.0
131.07062	2.0
133.08598	51.5
147.10152	33.5
149.13223	1.9
150.09149	0.8
153.01733	0.9
159.11633	1.2
167.07060	2.8
175.09700	1.1
177.11230	18.5
177.12671	1.4
181.04919	0.8
191.12776	2.6
195.13770	5.1
209.11699	0.9
213.12968	1.3
213.14787	6.5
221.13861	3.4
223.15372	0.9
233.16492	0.8
234.59714	0.9
239.14856	1.2
271.06012	2.2
283.17612	1.1
285.10898	1.0
322.80505	0.8
407.12738	0.8
417.11740	2.2
543.21161	1.4
561.34161	4.7
578.37866	3.2
579.20410	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	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.5
55.05517	35.8
57.03431	13.2
62.01511	5.0
67.05508	90.6
69.03424	6.5
69.07058	24.9
71.04964	8.6
71.60184	12.1
71.60886	5.7
79.05486	67.3
81.03401	18.4
81.07061	100.0
83.04992	10.4
83.08601	20.5
85.50407	4.8
91.05466	52.7
93.07047	76.7
95.04975	22.7
95.08604	61.9
97.06525	11.2
97.10168	18.9
105.07034	54.0
107.04996	8.3
107.08613	42.5
109.10154	29.2
111.08099	11.0
117.07010	16.4
119.08579	34.7
121.06466	8.1
121.10173	33.8
123.11709	7.6
125.09612	15.5
129.06985	11.0
131.08583	30.3
133.10132	27.5
135.11639	10.9
143.08548	12.3
145.10097	31.9
147.11642	29.3
149.09647	7.5
149.13310	5.7
155.08521	6.9
157.10144	17.2
159.11702	21.6
161.13176	6.8
163.14906	5.7
169.10071	7.3
171.11595	8.6
173.13263	14.4
175.11250	8.9
183.11815	6.7
187.14845	10.1
189.11244	10.9
193.12180	10.5
199.94432	5.5
213.16447	6.6
225.16512	6.4
227.12804	11.3
261.22116	6.4
267.15918	19.3
269.91354	6.7
301.25171	10.4
335.25760	18.0
435.32596	21.5
453.33447	15.9
471.34744	9.0
499.24692	6.2
509.36130	11.1
527.37433	58.5
545.38354	52.1
559.39777	13.9
577.36859	80.8
578.37421	7.3
583.46423	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.5
55.05514	46.6
56.82253	4.9
57.03440	9.0
67.05170	7.0
67.05506	100.0
69.07051	18.5
69.75320	5.6
71.04974	11.2
75.26635	6.0
77.59843	4.6
79.05492	56.4
81.07056	90.8
83.04990	10.9
83.08611	31.1
85.06507	6.8
91.05478	56.2
93.07043	61.7
95.08603	68.5
97.06508	8.1
97.10165	28.1
99.00874	7.0
105.07027	46.4
107.04954	13.9
107.08591	47.8
109.02882	12.8
109.10174	34.4
111.08132	6.3
111.16199	5.5
117.07005	21.7
119.08590	39.6
121.06477	7.1
121.10130	21.5
123.11720	15.4
125.09621	20.0
129.07022	8.4
129.40965	5.1
131.08537	31.2
133.10136	50.5
135.11693	21.8
137.13278	8.5
141.09239	5.6
143.08528	15.0
145.10121	18.8
147.11647	24.4
149.02344	6.2
149.13277	6.8
151.11256	8.4
159.11658	14.6
161.09656	14.5
161.13229	9.5
163.11208	6.5
163.14862	6.7
169.10207	7.7
171.07990	8.2
171.11746	12.8
173.13245	14.1
175.14857	9.1
179.10730	6.1
181.12212	6.0
183.11702	7.2
185.13235	10.3
187.14757	6.8
189.11247	12.4
197.13286	5.9
199.14896	8.7
225.11195	16.4
227.12732	14.0
241.19527	6.0
243.12271	9.8
258.64627	5.9
259.20584	10.6
261.22202	25.4
277.21707	8.8
279.23178	9.0
281.13849	7.7
283.15402	5.8
287.23557	5.8
299.14877	39.5
315.22977	9.2
333.24301	7.5
335.25800	21.3
338.30087	5.8
361.52200	5.6
421.31360	9.9
431.29370	6.0
439.31769	7.6
449.30640	13.5
467.31528	19.2
485.32510	18.4
493.07605	5.8
513.35657	11.9
531.36609	16.2
541.35376	53.2
559.36450	57.3
577.14032	6.4
577.37561	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.5
55.05514	46.6
56.82253	4.9
57.03440	9.0
67.05170	7.0
67.05506	100.0
69.07051	18.5
69.75320	5.6
71.04974	11.2
75.26635	6.0
77.59843	4.6
79.05492	56.4
81.07056	90.8
83.04990	10.9
83.08611	31.1
85.06507	6.8
91.05478	56.2
93.07043	61.7
95.08603	68.5
97.06508	8.1
97.10165	28.1
99.00874	7.0
105.07027	46.4
107.04954	13.9
107.08591	47.8
109.02882	12.8
109.10174	34.4
111.08132	6.3
111.16199	5.5
117.07005	21.7
119.08590	39.6
121.06477	7.1
121.10130	21.5
123.11720	15.4
125.09621	20.0
129.07022	8.4
129.40965	5.1
131.08537	31.2
133.10136	50.5
135.11693	21.8
137.13278	8.5
141.09239	5.6
143.08528	15.0
145.10121	18.8
147.11647	24.4
149.02344	6.2
149.13277	6.8
151.11256	8.4
159.11658	14.6
161.09656	14.5
161.13229	9.5
163.11208	6.5
163.14862	6.7
169.10207	7.7
171.07990	8.2
171.11746	12.8
173.13245	14.1
175.14857	9.1
179.10730	6.1
181.12212	6.0
183.11702	7.2
185.13235	10.3
187.14757	6.8
189.11247	12.4
197.13286	5.9
199.14896	8.7
225.11195	16.4
227.12732	14.0
241.19527	6.0
243.12271	9.8
258.64627	5.9
259.20584	10.6
261.22202	25.4
277.21707	8.8
279.23178	9.0
281.13849	7.7
283.15402	5.8
287.23557	5.8
299.14877	39.5
315.22977	9.2
333.24301	7.5
335.25800	21.3
338.30087	5.8
361.52200	5.6
421.31360	9.9
431.29370	6.0
439.31769	7.6
449.30640	13.5
467.31528	19.2
485.32510	18.4
493.07605	5.8
513.35657	11.9
531.36609	16.2
541.35376	53.2
559.36450	57.3
577.14032	6.4
577.37561	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01866	6.0
55.05255	3.1
55.05508	41.3
55.94288	1.8
57.03424	8.0
57.07064	6.1
60.93408	1.9
65.03946	3.5
67.05504	91.1
69.03413	4.4
69.07066	21.6
70.56617	7.4
71.01352	2.4
71.04979	7.0
73.72264	1.7
79.05058	3.0
79.05492	50.8
81.03401	3.3
81.07053	100.0
83.04986	10.1
83.08623	25.3
85.06535	5.8
91.04896	2.6
91.05470	51.8
93.06470	3.3
93.07040	59.2
95.04974	10.5
95.08601	67.4
97.02895	3.3
97.06509	5.6
97.10170	23.8
99.00818	7.9
104.70214	1.8
105.07029	46.8
107.04942	5.7
107.08598	43.3
109.02859	8.1
109.06504	6.0
109.10152	54.0
111.04430	6.8
111.08075	6.5
113.05905	1.9
116.06409	1.9
117.07011	16.2
119.08566	24.2
121.06504	4.4
121.10139	23.3
123.08060	3.7
123.11705	15.8
125.09637	14.5
127.03899	2.1
127.07538	2.4
128.06226	5.4
129.07010	7.5
130.23401	2.2
131.08571	18.3
133.10127	58.1
135.08063	2.6
135.11674	21.9
137.09624	2.8
137.13213	3.4
142.07753	2.6
143.08546	10.5
145.10117	17.6
147.08049	3.3
147.11647	12.8
149.09581	3.5
149.13226	12.7
151.11206	18.2
153.09081	2.2
153.12759	5.4
155.08510	4.2
157.10121	6.5
159.11690	15.2
161.09621	14.1
161.13254	8.4
163.11185	7.0
163.14799	3.9
169.10081	2.7
169.12251	4.9
171.07993	3.5
171.11671	6.2
173.09552	2.1
173.13300	12.4
175.14821	4.2
175.99886	2.1
179.10669	8.2
181.12177	5.8
183.11682	5.4
185.13237	7.3
187.14824	3.7
189.09126	6.1
189.11205	12.0
191.10617	3.5
196.65860	2.2
197.11575	3.1
197.13315	3.9
199.14818	2.9
201.16403	3.6
207.10170	3.7
209.13402	1.9
213.78137	1.8
215.12752	10.2
224.91426	2.1
225.11183	11.9
227.12759	17.4
231.17662	2.0
236.04782	1.9
241.19560	3.0
243.12312	5.3
243.21111	7.4
245.13904	3.1
253.14406	6.1
259.20645	6.9
261.22095	26.7
277.21634	6.7
279.23209	5.1
281.13733	3.8
283.15259	3.2
287.23801	4.9
297.22122	2.4
299.14935	28.1
313.21597	2.6
315.23395	9.7
317.24921	4.6
333.24423	4.8
335.25790	20.4
361.27695	2.3
363.25287	2.8
403.30133	2.8
421.30890	7.4
431.29410	2.5
439.32016	6.2
449.30463	9.3
457.32907	6.6
467.31598	17.6
485.32715	15.2
513.35663	12.7
515.37134	4.0
531.36957	15.6
541.35254	36.7
559.36328	32.5
577.37238	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01901	3.6
53.03941	5.1
54.56530	3.7
55.01877	8.4
55.05515	43.5
57.03421	13.5
64.56754	3.9
65.47134	3.8
67.05504	91.8
69.07066	25.3
70.91515	3.5
70.96666	9.0
70.97007	5.9
71.04974	4.5
71.08663	3.7
79.05492	53.8
81.03412	5.6
81.07056	100.0
83.04977	5.7
83.08620	27.5
91.05484	48.9
93.07047	62.0
95.04956	14.0
95.08601	65.9
97.06530	4.7
97.10172	31.1
99.00845	7.4
99.08115	4.2
100.13873	4.6
105.06356	6.6
105.07020	47.5
107.04972	9.5
107.08601	41.3
109.02862	8.1
109.10148	38.0
111.04442	4.7
111.08076	5.7
111.11733	4.0
114.18691	3.6
117.06997	12.0
119.08593	34.6
121.06483	5.0
121.10137	27.4
123.07998	4.4
123.11700	18.0
125.09606	21.8
128.06300	4.3
129.06992	7.2
131.08562	28.9
133.06479	5.1
133.10120	40.2
135.11665	24.5
137.13251	6.8
142.07828	4.5
143.08568	14.1
145.10159	25.8
147.11696	15.8
149.09593	6.6
149.13261	11.9
151.11154	6.4
153.12825	5.1
155.08521	5.8
157.10155	8.4
159.11746	19.0
161.09608	10.1
161.13260	11.0
163.11125	4.4
163.14825	4.2
169.10124	7.2
171.08080	5.4
171.11745	9.9
173.13258	18.5
176.15044	3.9
177.16313	4.4
179.10725	10.3
181.12210	5.6
183.11761	5.4
185.13272	10.2
187.14879	8.3
189.09119	10.1
189.11241	13.6
197.13286	6.3
201.12697	4.3
225.11223	14.4
227.12756	8.8
243.12184	5.6
243.21144	7.3
259.20605	10.3
261.22147	33.8
277.21695	7.3
279.23315	6.1
281.14020	5.6
297.22229	5.6
299.14880	23.9
313.21426	4.6
315.23209	15.1
317.24835	6.0
333.24261	6.9
335.25684	29.0
403.29941	5.4
421.30966	9.9
439.32196	8.2
449.30627	12.0
457.33362	7.4
467.31500	24.8
485.32382	22.5
513.35828	19.6
515.37402	6.3
523.34869	7.4
531.36639	17.4
541.35260	49.9
559.36194	53.0
577.37305	33.4
582.73608	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.9
55.05503	27.2
56.96560	14.3
63.91267	12.8
67.05499	52.0
69.03418	39.3
69.07053	53.7
69.49594	56.1
69.50023	61.8
71.43179	12.3
79.05495	29.1
81.03404	18.1
81.07063	100.0
83.04962	16.0
85.02906	71.6
91.05477	23.3
93.07053	35.6
95.08624	70.0
97.02917	27.5
97.06555	17.8
97.10164	32.5
105.07030	30.3
106.60181	14.8
109.10170	48.2
111.11696	21.7
118.21992	14.2
121.10110	30.3
123.11714	39.2
126.93176	15.9
127.03876	32.8
135.11731	20.5
145.02838	15.4
145.05025	14.1
149.13251	28.3
159.08127	13.9
207.81552	14.6
293.28357	32.9
309.93323	14.1
329.24750	54.3
414.65286	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	577.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05498	3.9
55.93528	4.5
56.07549	2.5
56.96555	11.4
58.90342	2.4
64.85933	2.6
67.05492	9.0
69.03440	17.9
69.07057	11.4
69.34182	18.7
69.34592	5.0
79.05489	9.2
81.03407	10.1
81.07042	22.1
83.08599	4.9
85.02894	23.5
86.04340	2.4
86.09709	2.9
87.00817	5.4
91.05466	9.7
93.07057	7.0
95.04939	6.1
95.08603	19.2
97.02884	17.2
97.06545	5.0
98.97604	3.8
98.98471	3.3
99.04445	3.6
105.01849	10.1
105.07024	9.3
107.04954	100.0
107.08601	10.9
108.05257	3.6
109.02871	6.9
109.10155	13.1
116.98553	3.6
117.07007	7.2
119.08589	7.9
121.10103	6.5
123.11704	8.8
127.03910	31.0
128.06216	2.9
129.06998	9.7
131.08568	11.2
134.99684	2.9
135.11668	3.5
137.13222	3.1
142.07764	4.3
143.08531	12.6
144.08932	3.3
145.02841	3.4
145.04933	7.7
145.10130	11.1
147.11668	3.1
149.13289	4.7
155.08511	4.8
156.09343	5.7
157.10048	7.8
159.07999	3.5
159.11688	7.5
163.03864	6.0
166.07724	2.9
168.09297	5.3
169.10095	3.2
171.07990	3.3
171.11687	24.0
172.11971	6.9
173.13254	6.6
177.05493	4.3
181.10117	7.2
183.11632	7.4
191.02164	3.4
199.11198	7.7
200.11511	3.0
201.12756	6.4
217.12204	18.2
218.12512	13.6
231.04959	3.7
245.11671	5.7
246.12035	3.5
293.28372	4.4
297.09659	9.2
337.09537	3.7
343.46872	2.8
383.14401	4.3
442.58173	2.9
466.21326	2.5
503.03479	2.8
599.48090	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05509	9.9
55.16532	1.5
57.03432	8.2
57.07075	2.4
63.39460	1.2
65.03925	2.6
67.05501	43.8
69.07071	10.4
71.04941	1.5
71.41754	2.4
79.05057	2.3
79.05493	35.9
81.03412	12.4
81.07055	43.9
83.08615	6.1
85.06544	3.3
91.05474	18.3
93.07044	52.9
95.04947	4.2
95.08609	39.7
97.06525	4.2
97.10178	2.3
98.98463	100.0
99.04472	2.3
99.08086	1.8
105.07031	16.7
106.48800	1.5
107.08589	28.7
109.02875	7.1
109.06497	2.5
109.10152	17.0
111.08060	2.3
113.09642	1.8
115.58693	1.4
116.99503	5.1
117.06985	9.3
119.08572	11.7
121.10143	26.2
121.53909	1.4
123.11713	9.1
126.41657	1.5
131.08595	16.3
133.10136	11.3
135.11699	19.4
137.13235	3.1
145.10120	11.6
147.11650	11.3
149.02347	5.9
149.13258	15.0
151.11133	2.4
155.01035	94.5
159.11676	11.3
161.13251	9.1
163.14824	10.2
173.13271	14.3
175.14897	3.3
177.16331	4.5
179.14262	2.1
187.14825	4.9
193.04953	3.4
205.15871	2.4
233.22743	2.4
243.02681	3.3
243.21088	29.1
261.22116	52.3
261.24838	3.2
277.21500	2.0
317.06387	16.7
317.24594	8.2
335.25778	69.8
336.26028	2.2
415.22485	8.9
423.27219	5.4
559.26758	1.9
577.13330	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1916
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.05467	0.5
55.22403	0.5
56.96518	0.8
67.05434	1.1
69.03349	1.3
69.06988	1.5
69.49369	2.0
69.49809	2.0
74.83849	0.5
79.05412	1.0
81.03333	1.2
81.06973	1.4
85.02811	1.7
85.06468	0.7
87.00739	0.5
91.05393	1.4
93.06968	0.9
95.04894	0.7
95.08513	1.4
97.02816	0.6
97.06447	1.3
98.20737	0.7
105.06996	0.6
107.04862	1.6
107.08524	0.7
109.02754	0.5
109.10067	0.8
109.46690	0.5
115.94485	0.5
116.01435	0.5
116.98539	0.6
118.12623	0.4
121.10054	0.8
124.29942	0.5
127.03851	1.1
133.10010	0.8
135.11607	1.0
153.01805	1.0
177.05377	0.7
177.16316	0.5
178.38351	0.5
186.99829	0.5
229.04848	1.0
254.54623	0.5
257.04456	33.2
258.05231	4.2
271.10178	0.5
285.03796	0.5
286.04712	11.7
287.05481	13.8
345.93365	0.5
347.15179	0.7
383.11234	82.6
384.11563	0.6
415.13873	100.0
473.18558	0.8
491.19489	2.2
577.19379	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63140	4.9
51.10495	5.4
52.97620	4.7
53.03939	11.1
53.72823	4.8
53.88870	4.9
55.01870	7.5
55.05495	18.7
67.05511	49.9
69.02026	4.5
69.03420	14.8
69.07064	30.8
70.03468	14.2
70.03887	12.5
70.06564	7.4
71.04980	15.8
79.05492	52.7
80.58530	5.1
81.03424	14.6
81.07054	61.9
83.04961	10.2
83.08597	12.2
85.02908	49.2
87.00835	10.8
91.05479	66.1
93.07041	91.6
95.04945	16.5
95.08606	54.3
97.02894	15.4
97.06523	8.2
98.21435	7.1
99.04405	7.9
105.07027	58.4
107.04943	6.4
107.08604	47.2
109.02867	15.4
109.10126	19.9
113.09618	10.0
117.06995	33.7
119.08568	56.3
121.06490	14.6
121.10110	25.0
123.08042	10.1
123.11739	7.7
127.03911	12.7
129.07007	18.6
131.08565	59.1
133.06606	6.0
133.10124	45.0
135.08052	14.6
135.11713	41.3
137.09511	6.4
139.07513	5.5
141.07007	6.9
143.08537	16.2
145.10132	51.4
147.11659	22.6
149.09599	8.4
149.13278	13.7
155.08609	8.5
157.06468	6.9
157.10118	18.9
159.11714	38.2
161.13257	29.1
163.07454	7.0
165.09113	5.8
169.10091	10.7
171.11642	14.1
173.13280	11.2
179.10692	8.1
183.11684	14.6
187.11072	6.8
187.14842	6.1
191.10606	7.4
193.12216	11.9
197.13190	5.7
205.12241	5.5
211.14850	6.3
213.16290	6.9
215.17902	30.4
221.15424	6.7
233.15431	6.5
239.17928	17.5
245.15367	10.4
257.18942	19.0
273.18353	5.7
275.20035	100.0
280.88577	5.2
287.16544	6.5
287.19751	7.0
293.21078	10.9
304.91907	6.2
311.16464	13.2
359.21924	6.1
365.20917	6.5
383.22122	13.0
487.23227	9.0
505.24051	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	576.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05505	0.7
56.96560	0.7
57.03418	0.5
61.02926	0.6
62.18355	0.4
64.06409	0.4
67.05489	0.8
69.03429	16.4
69.07057	0.9
69.46329	3.6
71.04967	0.5
72.63953	0.5
73.02909	0.6
79.05489	1.7
81.03401	1.4
81.07052	2.5
82.82387	0.5
83.08635	0.4
84.38673	0.4
85.02903	3.9
91.05476	1.5
93.07042	1.1
95.04960	1.0
95.08615	1.7
97.02896	3.2
98.21517	0.5
99.04472	1.5
105.07029	2.9
107.04952	100.0
109.02870	1.3
109.10149	1.2
113.19202	0.5
115.05426	0.7
117.07017	1.6
119.08577	1.3
127.03915	15.5
128.06241	1.3
129.07027	2.3
131.08598	1.7
141.06924	0.6
143.08577	5.1
145.04936	5.0
145.10135	2.8
147.11667	0.6
153.05489	1.1
155.08577	0.6
156.09319	1.1
161.05968	0.5
166.07790	0.8
171.08003	0.5
171.11691	13.3
172.12036	0.6
173.13281	0.8
175.07472	0.5
181.10165	2.0
189.47821	0.5
199.11195	5.3
217.12250	11.6
217.14281	0.8
227.10678	0.9
233.08069	4.1
245.11723	2.8
257.04413	0.5
261.07639	1.1
275.20081	0.6
279.08566	3.6
297.09717	13.2
316.21286	0.8
342.49869	0.4
375.08066	0.6
383.11337	2.2
415.13864	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	0.9
55.05497	1.2
57.03413	0.9
67.05502	1.7
69.03435	7.2
69.07071	0.7
70.12581	2.6
70.83452	0.6
71.04984	0.9
79.05489	3.0
81.03415	9.0
81.07063	3.7
81.07448	0.5
85.02903	7.8
86.64530	0.5
91.05483	4.3
92.77686	0.6
93.07050	2.0
95.04968	1.9
95.08584	0.8
97.02891	12.8
97.06538	0.6
98.20788	0.5
99.04437	1.8
103.05457	0.8
105.07037	8.9
107.04953	100.0
109.02886	6.7
111.04448	0.6
115.05450	2.2
115.71634	0.6
116.10742	1.2
117.07003	4.8
119.04910	1.3
119.08591	2.2
122.72424	0.6
124.33206	0.5
127.03917	12.6
128.06244	4.3
129.07002	9.3
131.08569	6.6
133.06519	1.0
134.54411	0.5
135.04431	0.7
137.05922	0.6
141.06989	1.8
142.07739	2.6
143.08553	23.3
145.04970	6.0
145.06493	0.8
145.10104	10.5
147.08014	0.7
149.05962	0.7
153.05476	6.4
153.06790	1.1
155.08594	2.5
156.09311	5.5
157.06496	1.2
157.10135	2.0
161.05952	3.3
161.09605	0.6
162.48729	0.6
165.07045	1.6
166.07756	3.2
169.10150	1.6
171.08089	2.4
171.11684	56.2
173.13268	2.3
175.07552	1.6
181.10118	8.1
183.11768	0.9
184.08850	1.3
189.09135	1.0
189.12793	0.9
199.11182	27.2
201.12874	0.5
209.09511	0.7
217.12242	49.1
227.10567	3.8
243.10175	0.7
244.25797	0.5
245.11742	17.6
263.12772	2.9
279.08667	8.7
287.05490	0.8
297.09644	4.1
316.21259	1.8
317.90091	0.6
383.11121	0.8
396.12820	0.6
415.13962	1.1
493.66681	0.6
495.57520	0.6
576.33752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77828	0.8
53.03936	2.8
55.01868	3.1
55.05514	17.1
57.03423	1.4
57.07065	3.6
61.06242	0.9
65.03931	4.3
67.05505	95.8
69.03417	1.8
69.06725	1.4
69.07072	19.5
71.04975	2.4
71.08628	4.5
71.20846	0.9
71.60646	1.4
71.61020	1.4
79.05495	24.9
81.07056	100.0
83.04975	2.8
83.08617	10.3
85.06530	4.1
85.10160	1.3
91.05486	10.9
93.07043	23.3
95.04967	3.3
95.08608	73.7
97.06532	5.2
97.10180	7.4
99.08093	3.7
105.07033	10.3
107.08585	17.3
108.89696	1.1
109.06516	2.1
109.10159	33.9
111.08089	3.5
117.07034	5.5
119.08583	6.8
121.06495	1.2
121.10144	11.2
123.08105	1.4
123.11694	17.5
125.09617	3.4
131.08565	7.9
133.10110	6.6
135.08043	2.2
135.11697	12.4
137.09679	1.9
137.13242	11.2
141.04234	1.0
145.10118	5.8
147.11681	4.3
149.09651	2.3
149.13287	5.9
151.11206	1.6
151.14821	4.3
153.09062	1.0
153.12723	3.1
155.10750	1.2
159.11697	4.4
161.13254	4.2
163.11197	2.6
163.14803	4.5
165.12823	2.1
165.16400	1.4
167.10617	1.6
173.11761	2.6
173.13275	9.1
175.14813	1.6
177.12744	3.4
177.16405	1.2
179.14288	2.3
181.12242	2.8
183.13785	1.0
187.14816	3.1
189.11267	2.4
191.14291	2.5
195.13826	5.4
209.15399	5.2
223.16934	2.8
233.22690	1.5
237.18443	1.5
243.21112	4.5
261.22092	9.3
277.21490	1.6
279.23181	46.1
297.24234	2.6
490.96472	1.2
493.22803	1.5
521.43835	1.2
557.45892	1.6
575.27869	1.7
575.38330	1.8
575.46582	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	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01867	8.5
55.05503	18.1
57.03436	6.1
57.07069	15.4
58.85506	3.1
61.02925	4.9
63.64280	3.6
67.05499	29.7
68.99808	3.9
69.03420	22.9
69.07066	40.7
71.04987	6.1
71.08621	5.1
71.21566	7.3
73.02943	5.9
74.93015	3.2
79.05483	20.4
80.42307	3.1
81.03418	23.2
81.07056	90.6
83.08614	28.4
85.02905	63.5
87.00811	24.4
91.05468	10.7
93.07030	42.0
95.04954	3.3
95.08606	100.0
97.02906	31.9
97.06569	4.1
97.10169	16.8
99.04463	9.6
105.01876	17.3
105.07043	17.9
107.08607	37.6
109.02898	22.5
109.10149	52.3
111.11714	8.0
117.01863	5.4
119.08583	13.5
121.10154	29.4
122.98241	3.3
123.11707	29.5
127.03909	41.0
131.08572	5.2
133.10141	10.0
135.11674	37.6
136.23672	3.1
137.09590	5.3
137.13225	19.1
139.11133	8.0
145.04959	13.8
145.10103	4.7
147.11699	12.5
149.13304	24.5
151.14812	8.2
157.10066	4.5
159.02911	9.1
161.13318	7.8
163.14838	16.0
165.16408	7.4
167.14453	3.8
175.14807	6.3
177.16318	8.7
182.24211	3.6
189.16467	6.6
191.17970	12.0
192.52345	4.0
203.17908	5.5
217.19513	9.8
234.40921	3.5
244.52798	3.8
247.24220	10.7
273.25708	21.9
275.19974	5.0
291.26767	21.6
309.27942	17.0
324.75397	4.0
327.29044	9.8
344.51071	4.1
589.16241	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.05496	15.1
56.96552	6.1
57.03431	8.3
57.07066	11.6
61.02935	5.6
61.82946	3.9
67.05504	35.9
69.03424	19.3
69.07069	50.0
70.44516	8.1
70.44902	11.1
71.04999	8.0
71.08622	7.6
73.02921	4.5
77.41693	3.9
79.05496	21.0
80.26876	3.6
81.03407	15.0
81.07053	94.3
83.08607	24.8
85.02901	53.8
85.06530	4.6
87.00832	18.1
91.05483	10.8
93.07054	41.0
95.04979	5.8
95.07986	5.0
95.08605	100.0
97.02892	19.6
97.06539	7.4
97.10194	17.7
99.04420	6.8
105.01866	18.7
105.07016	21.2
107.05005	3.8
107.08585	37.2
109.02870	18.5
109.06508	4.7
109.10162	54.4
111.08134	4.3
111.11705	11.6
112.94795	3.9
119.08559	11.3
121.10153	29.0
123.11066	3.5
123.11737	34.7
125.13258	6.6
127.03891	22.5
133.10120	14.2
135.11681	33.0
137.13263	18.7
139.11182	7.7
145.04964	8.3
145.10121	4.8
147.11703	12.4
149.02344	4.2
149.13289	19.1
151.14821	13.4
159.03020	5.6
161.13246	8.1
163.14790	13.6
163.76334	3.8
165.16406	4.6
175.14786	3.9
177.16321	8.5
191.17946	8.9
205.19519	5.8
215.02267	4.0
217.19548	8.8
231.05040	6.0
247.24338	8.1
273.25797	23.6
279.26773	7.7
291.26868	19.1
309.27908	20.5
327.28943	7.0
459.05725	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	575.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38305	0.9
53.03942	3.9
55.01859	3.9
55.05257	1.4
55.05508	16.2
57.03428	2.6
57.07073	9.1
61.02917	2.1
67.05503	27.6
67.20233	0.9
68.99777	1.7
69.03429	15.0
69.07065	34.4
69.60106	7.7
70.06583	1.9
71.04983	3.3
71.08623	1.7
72.08144	1.1
73.02904	3.0
79.05479	16.3
79.05904	1.6
81.03412	15.1
81.07053	100.0
83.04983	1.6
83.08615	14.8
84.08144	1.9
85.02900	27.4
85.06540	28.9
86.09706	1.6
87.00827	10.3
87.04451	1.0
89.06017	1.1
91.05474	5.9
93.07040	29.6
95.04967	3.1
95.08601	73.6
97.02879	10.5
97.06534	4.7
97.10159	9.1
98.21509	1.0
99.04471	6.0
99.08089	20.2
105.01879	8.3
105.07028	9.7
107.04971	6.0
107.08591	29.0
109.02873	9.3
109.06519	3.0
109.10149	45.9
111.08073	6.0
111.11716	9.2
113.09645	4.7
115.03952	0.9
117.07036	1.2
119.08589	8.1
121.10140	22.3
121.11017	1.5
123.08100	1.0
123.11697	30.1
125.09618	4.3
127.03908	19.6
127.11195	3.8
129.01762	1.1
129.33415	0.8
131.08566	1.9
133.10130	6.0
135.11684	19.2
137.13235	9.5
139.11171	3.2
141.12773	1.8
143.08548	1.8
145.04968	4.3
145.10123	3.9
147.02913	1.2
147.11681	6.0
149.13255	29.5
151.14836	3.9
153.12758	3.2
155.14310	1.4
157.10057	1.8
159.02890	4.7
159.11678	2.3
161.13231	5.0
163.14815	17.1
165.16414	3.3
167.14294	3.7
169.12280	1.4
171.11652	1.0
173.13295	1.5
175.14812	1.7
177.08958	1.1
177.12903	1.1
177.16389	7.4
179.17923	1.4
181.15831	1.9
189.16388	2.8
191.17929	8.9
195.17427	2.5
197.19061	1.5
203.18005	2.6
205.19577	3.7
209.18999	12.0
217.19443	5.7
221.18929	1.4
223.20563	10.6
227.20082	5.9
231.04997	2.7
235.20599	3.9
247.24210	2.4
255.35275	0.9
261.25604	2.4
265.25226	2.1
273.25681	8.2
275.20242	0.9
279.26761	5.1
283.26260	2.2
291.26822	31.7
297.27878	9.4
309.27856	35.9
327.28925	56.1
378.68509	1.0
399.28854	1.1
575.27521	3.7
575.39819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01859	9.5
55.05508	15.7
57.03423	5.7
57.07063	5.6
61.02913	5.9
67.05165	3.7
67.05500	33.7
68.21776	2.6
68.99788	3.1
69.03427	33.9
69.07061	30.3
69.45045	14.7
69.45480	8.9
70.06575	4.5
70.49147	2.5
71.04984	4.8
71.08621	4.7
72.08138	3.8
73.02911	7.7
79.05495	21.4
81.03419	28.8
81.07053	100.0
83.08637	14.8
84.08145	4.1
85.02903	73.0
85.06537	24.0
86.09686	3.0
87.00825	27.2
91.05482	13.0
93.07040	38.7
95.04951	5.3
95.08600	73.5
97.02898	24.5
97.06530	3.8
97.10161	12.3
98.21488	5.5
98.97581	4.5
99.04443	13.6
99.08083	23.4
100.11244	6.2
105.01866	27.5
105.07014	15.8
107.04948	3.4
107.08590	36.9
109.02872	17.0
109.06497	3.3
109.09444	5.5
109.10155	54.6
111.04425	4.2
111.08053	6.5
111.11715	4.7
113.09603	4.1
116.98633	3.0
117.07005	5.1
119.08582	14.7
121.06471	4.5
121.10133	23.0
123.08108	3.6
123.11697	27.1
125.09609	6.2
127.03928	44.3
129.01891	3.5
129.10190	3.1
130.09036	2.8
131.08563	7.9
133.10123	10.4
135.11668	20.9
137.09583	5.0
137.13243	9.9
139.11111	2.9
143.08542	5.7
145.04932	12.2
145.10115	7.7
147.11653	8.7
149.13271	32.6
151.11041	3.7
151.14806	7.9
153.07346	2.7
153.12685	3.0
155.14287	3.8
159.02901	7.1
161.13237	8.1
163.14832	20.0
171.11748	4.8
175.14824	4.5
177.00754	3.6
177.16417	12.8
183.11769	2.9
189.16394	3.5
189.33496	2.7
191.17940	7.9
195.17337	3.1
199.14919	3.1
203.17801	4.8
209.18950	3.2
211.80598	2.7
217.12224	2.8
217.19511	7.1
231.05058	8.9
249.05954	3.0
265.25092	3.2
273.15405	4.3
273.25775	12.9
279.26794	6.2
291.19678	2.7
291.26773	32.8
309.27884	23.6
327.28906	14.5
354.17786	5.9
363.18369	3.4
531.27533	7.4
575.26392	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	575.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01876	0.8
55.05499	1.1
58.06606	4.5
60.04513	0.8
67.05493	2.8
69.07065	1.2
70.94794	1.4
70.95141	1.3
72.04506	2.0
79.05487	1.9
81.07041	2.1
91.05477	4.3
92.52352	0.7
93.07061	1.6
95.04942	0.9
95.08611	1.9
100.11259	58.3
101.80232	0.8
105.07047	6.8
107.04958	10.2
107.08546	1.4
119.07318	5.0
119.08567	1.2
121.06518	2.2
121.10195	0.8
126.10288	0.7
126.51369	0.8
128.10703	6.3
131.04945	0.9
131.08568	0.8
134.09654	100.0
136.07581	2.2
144.08099	1.0
145.06459	1.0
152.08168	1.8
153.13911	2.0
156.10226	2.0
157.10030	0.9
159.08073	2.4
159.39920	0.7
162.09157	13.7
167.11800	1.4
171.15051	1.0
178.08766	0.8
180.07767	1.8
181.08459	1.3
183.99321	0.8
188.10707	4.4
190.08644	3.1
199.14436	3.4
205.13376	3.0
233.12869	8.1
256.17084	1.4
297.06149	0.8
315.20682	7.7
329.18613	2.7
339.15903	0.9
343.20294	1.8
349.19266	5.9
360.22827	11.4
377.18726	6.2
396.22839	9.1
396.27890	1.3
414.23862	1.7
430.21362	6.1
448.22556	3.6
449.24521	0.9
473.24350	2.2
504.28677	5.8
575.32001	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	575.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.02671	0.2
55.01865	0.2
57.03423	0.2
67.47015	0.2
67.54488	0.2
69.03429	10.4
70.06582	0.2
71.04970	0.5
71.13558	0.5
77.03928	0.3
79.05501	0.7
80.28359	0.2
81.03400	1.0
83.01331	0.5
85.02908	3.6
86.09715	0.2
93.56901	0.2
95.04982	1.2
97.02898	3.5
99.04456	2.1
101.79853	0.2
103.03956	0.2
105.07027	0.3
107.04957	100.0
108.05287	1.0
109.02894	1.3
121.06564	0.2
127.03922	12.1
131.08582	0.5
145.04965	3.6
145.06483	0.3
145.10129	0.7
153.05490	0.9
154.06516	0.2
155.08583	0.3
157.10150	0.2
158.07309	0.5
159.08049	3.2
169.10150	0.3
173.09604	2.0
174.10403	3.4
175.11195	0.7
179.08630	0.2
182.07262	0.2
187.11192	0.3
189.05417	0.2
190.03062	0.2
190.05132	0.2
190.07132	0.2
191.07033	0.3
197.09633	1.0
198.26059	0.2
215.10797	0.4
219.06648	0.3
225.09277	0.2
233.08067	1.7
233.11580	1.0
243.10139	0.5
261.07590	0.4
261.11267	0.7
279.08752	1.6
279.12314	8.7
297.09708	3.4
381.69128	0.2
506.80353	0.2
575.21051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.6
53.03950	1.9
55.01875	1.0
57.03424	1.1
58.05821	0.4
67.05510	0.5
67.08279	0.4
69.03426	7.5
69.03796	0.4
70.98624	0.9
71.04966	0.6
74.31319	0.4
79.05476	1.0
81.03413	8.4
83.04987	0.6
84.28957	0.4
85.02902	5.7
91.05461	1.3
93.07069	0.8
95.04968	2.6
97.02895	4.6
99.04450	2.6
103.03955	1.1
105.07031	0.7
107.04952	100.0
108.05299	0.6
109.02878	5.0
111.04463	1.0
115.05437	0.8
117.07035	0.5
119.04913	0.8
121.06493	1.4
123.04388	0.5
125.02368	0.4
127.03907	9.7
128.06194	0.5
131.04918	3.8
131.08574	1.2
133.06511	0.5
135.04483	0.5
137.06053	0.5
140.96117	0.5
141.06995	1.3
143.08539	0.5
144.05702	2.2
145.05048	1.9
145.06448	2.0
145.10165	0.9
147.04477	1.9
149.05984	3.7
149.35530	0.4
151.03893	0.7
153.05490	1.3
154.07787	0.8
157.06389	0.5
157.10231	0.5
159.08047	27.1
161.05962	0.5
165.05450	0.6
169.06470	0.9
169.10126	0.8
171.04364	0.7
171.08041	0.4
173.05995	3.5
173.09581	3.7
174.10405	39.9
175.11093	0.8
177.05530	0.7
181.04980	0.5
181.06473	0.5
182.07306	1.2
185.05934	0.9
187.05898	0.5
187.07545	1.5
187.11131	0.7
189.05446	1.2
193.04942	0.5
195.06471	0.5
197.05998	3.3
197.07913	0.6
197.09633	5.6
199.07623	0.4
203.07007	0.8
205.04968	0.9
215.07043	4.9
215.10677	1.5
219.06476	1.0
225.09140	1.4
231.06361	0.5
233.08098	1.0
233.11725	2.3
237.07524	5.0
243.06563	0.8
243.10179	2.7
261.07532	1.1
261.11200	5.7
279.08807	3.7
279.12253	58.7
280.12378	0.6
321.09552	0.8
333.09601	0.5
363.10934	0.5
375.10675	0.6
387.10562	0.8
405.12036	0.6
405.58261	0.4
575.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	0.9
55.28290	0.3
57.03427	1.3
67.05466	0.4
68.98525	0.4
69.03074	0.6
69.03427	9.0
70.06583	1.4
71.04983	1.3
71.59962	0.4
71.60312	0.4
72.08154	0.9
73.02921	0.4
73.15108	0.3
79.05475	1.0
81.02979	0.4
81.03413	5.4
81.60950	0.3
83.04951	0.5
84.08144	0.7
85.02901	4.9
86.09704	1.3
88.88495	0.3
88.97525	0.4
90.49583	0.3
91.05470	1.9
91.93156	0.3
93.07040	0.6
95.04951	1.6
97.02885	4.8
98.97587	0.4
99.04440	1.4
103.03960	0.9
105.04491	0.6
107.04947	100.0
108.05281	1.1
109.02888	2.4
115.05440	0.8
116.98604	0.7
117.06980	0.6
119.04942	1.8
120.08152	0.7
121.06516	1.5
123.04354	0.6
125.02330	0.7
127.03915	8.7
127.04802	0.7
129.10208	0.6
131.04912	3.8
137.06012	1.7
141.06963	1.1
144.05692	3.1
145.04997	1.7
145.06447	2.4
147.04401	4.0
149.05954	3.7
151.03873	0.4
153.05453	0.7
157.06529	1.1
159.08028	0.9
161.06004	0.8
165.05469	1.0
165.66974	0.4
169.06488	2.0
171.04361	2.4
173.05971	8.2
177.05515	0.6
185.06003	0.8
187.07471	2.2
189.05432	1.9
195.06396	0.4
197.05978	4.5
201.05630	0.4
203.07056	1.1
206.64124	0.3
215.07027	11.8
215.09113	0.7
217.04956	1.5
219.06424	2.2
225.07967	0.8
233.08148	2.5
237.07545	9.3
243.06548	1.5
243.08833	0.4
251.09438	0.6
261.07596	3.4
261.10260	0.5
269.10687	0.7
279.08484	2.1
287.11594	0.9
327.11642	0.4
345.09366	0.6
367.11612	0.8
387.10687	1.7
405.11655	0.9
575.16846	0.7
575.26947	1.3
577.30157	0.4
587.88879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01868	0.8
57.03430	1.4
66.37365	0.3
67.05502	0.8
69.03429	8.5
69.49956	0.8
69.50365	2.7
71.04990	0.6
73.02934	0.5
79.05484	1.5
81.03415	9.4
83.04980	0.5
85.02907	5.7
86.09698	0.5
87.04478	0.5
87.22211	0.5
91.05488	2.0
93.07062	0.6
95.04972	2.1
97.02898	4.7
99.04442	2.1
103.03941	1.9
105.07016	0.7
107.04952	100.0
108.05270	0.8
109.02876	6.2
111.04394	0.9
115.05490	0.7
117.07000	0.4
119.04929	1.2
121.05749	0.4
121.06483	1.8
123.04398	0.5
125.02342	0.4
127.03907	9.3
129.06981	0.6
131.04918	4.3
131.08533	2.0
135.04446	0.5
137.05972	1.2
139.03940	0.4
141.07005	1.2
143.08517	0.5
144.05708	1.9
145.04984	1.3
145.06468	2.0
145.10133	1.2
146.07214	1.1
147.04407	2.0
149.05933	3.7
151.03845	1.2
153.05478	1.2
154.07910	0.5
157.06483	0.7
158.07303	0.6
159.08052	26.7
161.05905	0.8
165.05489	0.6
169.04898	0.4
169.06464	1.4
169.10095	0.9
171.04402	1.1
173.05980	4.8
173.09630	2.5
174.10402	39.1
175.11108	0.9
177.05495	1.0
179.03387	0.4
182.07301	1.3
185.06032	0.7
187.07542	2.0
187.11241	0.5
189.05455	0.9
193.04982	0.5
195.06467	0.5
197.06021	2.6
197.09613	5.6
199.11299	0.4
203.07025	0.6
205.05048	0.5
215.07053	4.7
215.10643	1.7
219.06529	1.0
225.09056	1.1
229.07040	0.5
233.08035	0.8
233.11607	2.1
235.06012	0.5
237.07542	3.4
243.06506	0.9
243.10240	2.8
253.07008	0.6
261.07596	1.7
261.11182	5.8
271.08121	0.5
279.08768	4.6
279.12241	54.9
280.12546	0.5
321.09665	1.1
349.09055	0.4
375.10672	0.4
387.10718	1.2
405.11490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1738
Annotation	Pabularin C
Peak:m/z	Relative Intensity
56.96566	1.0
70.06586	3.9
70.13642	1.0
71.60056	1.6
72.08159	1.2
77.15516	1.0
77.42764	0.9
84.04507	1.1
85.02894	1.8
86.09704	1.4
96.36990	1.0
100.56037	1.0
116.98679	1.2
126.40469	1.0
136.06213	1.4
212.50111	1.2
219.01787	1.2
237.02856	1.6
240.12308	1.2
287.07974	2.8
334.99719	1.1
396.96759	1.3
413.11011	6.8
431.12308	2.5
575.17352	100.0
576.17761	1.4
585.12579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12785	0.9
71.59742	1.6
74.15028	1.0
94.93002	2.9
112.89613	3.8
121.69254	1.0
136.93999	1.7
143.01874	3.1
145.03387	1.2
150.91959	7.6
151.91591	1.0
155.01926	1.4
157.03479	5.4
161.02954	4.2
173.02991	1.5
175.04546	4.3
179.94623	1.0
181.83537	0.9
185.02965	3.0
187.04500	2.5
190.91246	1.4
197.02953	1.5
203.04074	1.1
217.05701	1.4
232.90166	36.8
232.92296	7.3
242.46977	1.1
245.05069	8.3
250.92087	9.7
262.91925	1.4
263.06271	1.8
275.06116	10.6
287.06226	1.5
292.93124	28.9
293.07217	2.8
293.93228	2.2
304.93198	10.3
305.07254	2.4
335.08090	2.9
352.94815	2.9
365.09061	1.6
545.20422	1.2
575.17261	100.0
576.18060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.05510	8.2
56.00930	1.9
57.03440	4.1
57.07073	41.8
63.18062	1.6
67.05509	14.1
69.07070	5.2
71.08630	29.4
75.04495	2.4
76.86790	1.8
77.35859	1.7
79.05488	5.0
81.07048	19.8
83.08617	12.1
85.10180	16.1
91.05481	2.1
93.07027	4.3
95.08601	25.1
97.10172	5.4
98.21509	4.9
99.04479	2.4
107.08575	3.9
109.02897	2.2
109.10149	13.2
110.03693	2.6
123.11709	5.9
132.34624	2.2
151.20619	1.9
159.06061	1.8
229.07408	1.8
239.23694	29.1
247.08401	2.4
256.26175	2.0
257.24789	4.1
313.27353	100.0
331.28528	10.3
398.46829	2.2
513.39838	2.6
574.48572	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	575.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.4
55.05475	0.4
56.96291	0.9
56.96548	7.0
56.96801	0.3
59.28635	0.3
59.38586	0.5
67.05485	0.5
69.03391	1.4
69.43472	3.7
70.06538	0.7
75.90830	0.4
81.07002	0.6
83.19893	0.4
84.08112	0.8
84.96027	0.8
85.02888	1.0
91.05479	0.6
93.07071	0.5
97.02872	0.7
98.20766	0.8
98.97577	3.6
105.07021	0.5
107.04972	3.2
115.00696	2.3
116.98621	3.2
127.03915	0.7
133.01726	3.1
134.99620	1.8
137.02802	0.5
151.02730	0.9
158.99658	1.0
167.03781	0.9
171.11635	0.5
173.04866	1.3
177.00703	1.1
183.03264	2.4
185.04813	2.0
191.02246	0.6
199.02769	0.7
201.04350	2.2
203.05846	1.0
207.06883	4.7
207.08669	0.5
219.01614	0.6
223.10057	2.7
225.07970	100.0
226.08290	0.9
227.05814	0.4
227.08209	0.8
239.05852	0.9
241.11104	1.8
243.09044	48.2
244.09268	0.5
245.11838	0.5
248.09660	1.0
251.09506	0.7
257.06921	2.1
261.02771	0.7
265.11087	1.4
266.10602	2.4
267.09021	14.9
281.10593	1.3
283.12140	0.6
283.25867	0.4
285.10040	14.9
287.01654	0.6
303.11185	4.6
308.11621	1.5
309.10107	3.0
313.09558	0.9
325.13089	0.9
327.11508	33.0
328.11765	0.7
339.11179	1.0
341.12787	0.8
345.12265	4.0
351.10995	0.6
369.12158	9.0
381.12161	0.5
389.13672	0.6
399.13461	0.6
411.13339	1.3
429.14124	0.7
489.16391	1.0
513.88403	0.4
531.18402	5.3
557.23010	0.5
575.17328	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	574.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
57.03433	3.3
57.61374	2.4
62.34341	2.2
67.38926	2.5
69.03423	10.9
70.06583	4.1
79.05463	7.3
81.03397	2.6
81.07044	8.3
85.02901	9.9
85.82212	2.4
86.09675	3.4
91.05486	7.3
93.07047	6.2
95.08569	3.3
97.02886	4.7
99.78239	2.5
105.07010	12.4
115.05434	2.9
117.07006	8.2
119.08586	5.9
127.03881	3.3
128.06209	4.0
129.07002	18.4
131.08632	13.3
132.35310	2.8
142.07774	5.4
143.08565	38.6
145.10129	19.9
156.09326	10.9
157.10161	4.1
161.05972	8.9
165.06982	3.6
166.07790	5.2
169.10170	3.8
171.11687	99.2
173.13196	4.3
181.10110	16.0
189.12762	4.1
199.11163	44.4
217.12239	100.0
227.10747	7.0
245.11703	35.5
263.12726	9.1
340.62497	2.7
417.94028	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	44.8
57.03438	7.1
57.07063	23.8
65.95856	6.3
67.05506	66.9
68.18189	5.0
69.05469	5.5
69.07069	82.7
71.05001	7.4
71.08625	21.0
71.61526	7.8
76.94878	5.6
79.05503	36.3
81.03397	11.7
81.07049	86.7
83.08620	57.9
86.30418	5.2
87.04479	9.0
91.05482	21.7
93.07039	52.2
95.08601	100.0
97.06527	12.3
97.10171	68.8
99.08093	5.6
104.74340	5.7
105.07005	31.3
107.08593	41.1
109.10165	45.5
111.08069	10.8
111.11727	25.6
115.56517	5.3
117.06977	6.7
119.08555	32.5
121.10145	47.1
123.11708	16.9
125.09660	7.0
133.10101	21.2
135.11737	38.5
137.09624	9.6
137.13274	11.9
145.10121	11.9
147.11714	17.1
149.13248	12.6
151.14807	9.4
153.12788	7.1
161.13255	16.4
165.12691	6.6
171.13832	7.3
175.14746	7.8
179.14290	6.3
217.19536	48.6
222.20332	5.3
235.20567	84.4
253.21613	69.3
267.23184	15.3
271.22641	10.1
285.24304	37.0
364.29926	5.8
512.30621	5.4
555.40839	16.4
573.41187	14.9
573.48779	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	573.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83158	2.7
55.05501	15.3
65.17005	3.5
67.05499	31.6
69.07068	20.5
69.27595	25.4
69.28017	10.3
70.01931	3.1
71.04990	7.2
79.05505	19.2
81.07060	77.0
83.08601	15.7
85.02922	4.0
85.06518	4.5
91.05476	26.4
93.07058	33.9
95.04952	3.6
95.08606	88.8
97.06516	14.2
97.10147	7.0
99.08089	11.5
105.07021	41.3
107.08588	9.7
109.06516	3.7
111.08076	5.2
113.09627	4.0
115.07555	3.8
117.06998	4.0
119.08585	46.2
121.10125	17.8
123.08081	7.7
123.45705	2.8
125.09615	4.0
131.08524	5.1
132.73546	3.9
133.10124	28.2
135.11714	21.6
137.09621	6.5
137.13249	18.4
137.35207	3.2
145.10179	3.3
159.11670	3.9
161.13251	96.7
179.14314	100.0
184.07222	3.9
197.15356	19.5
199.14839	3.8
215.16402	3.8
357.27853	11.8
375.28909	18.7
524.50690	3.5
548.28381	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	573.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38494	5.5
55.01875	6.4
55.05498	29.0
57.03415	8.6
57.07064	5.5
67.05508	37.8
69.03420	24.5
69.07054	19.9
70.12508	27.0
71.04976	9.3
79.05481	19.0
81.03422	34.9
81.07049	69.4
83.04975	12.1
83.08609	16.2
85.02879	10.4
85.06517	8.2
91.05473	29.1
93.07024	30.2
95.04952	13.0
95.08598	57.4
97.02874	13.2
97.06516	16.6
97.10172	5.9
105.06991	38.0
107.08575	14.3
109.02884	15.2
109.06488	10.3
109.10139	14.7
119.08586	33.4
119.09367	5.5
121.06524	9.0
121.10154	11.2
123.08049	10.1
127.03894	25.1
131.08578	14.0
133.10104	20.0
135.11674	17.2
137.09596	7.4
151.07545	8.6
161.13239	39.8
163.07570	8.0
173.11536	7.2
179.14336	30.4
197.15414	11.1
237.14790	9.2
256.61520	6.9
263.16571	8.1
287.16400	11.2
298.29468	7.1
305.17529	32.5
323.18570	100.0
341.19513	40.7
361.59531	5.7
404.34344	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75349	3.3
53.03941	20.6
55.01871	18.1
55.05513	22.3
56.96572	5.9
57.03437	10.4
57.07077	31.7
61.02922	9.1
67.05505	27.2
68.99792	4.9
69.03426	44.0
69.07069	56.4
70.25671	5.7
70.26066	9.5
71.04991	17.1
71.08633	27.8
71.39978	3.7
73.02903	6.7
79.05474	25.4
79.13640	3.4
81.03420	47.8
81.07056	83.1
83.05004	9.7
83.08611	16.6
85.02903	100.0
85.06548	8.5
87.00829	33.6
87.04454	5.1
91.05479	17.7
93.07055	41.9
95.04972	13.3
95.08610	83.3
97.02888	36.8
97.06534	24.4
97.10168	12.2
99.04430	19.1
99.08101	7.4
105.01837	24.7
105.07032	37.6
107.04909	4.9
107.08596	55.6
109.02877	47.4
109.06500	6.3
109.10137	48.2
111.08094	5.3
111.11729	7.8
117.01865	3.9
117.07021	4.7
119.08577	30.7
121.06483	3.7
121.10143	40.4
123.08076	3.8
123.11700	14.2
125.09668	6.2
127.03925	70.4
129.01863	7.3
131.08582	15.5
132.19386	3.4
133.10121	29.9
135.08055	4.8
135.11678	19.7
137.09653	5.4
137.13292	6.6
137.29291	4.4
145.04971	22.6
145.10097	18.4
147.02896	4.3
147.11674	18.2
147.71049	3.7
149.09641	4.7
149.13261	18.9
151.10072	3.5
151.14819	5.2
157.10214	4.1
159.02858	24.1
159.11726	25.5
161.13240	23.2
163.11226	5.3
163.14781	6.7
165.16371	4.2
173.13271	11.0
175.14793	8.2
177.12772	9.5
177.16327	5.4
179.14253	5.6
179.17949	7.5
181.12277	3.9
187.14842	8.4
191.17882	9.2
197.83734	3.6
199.13315	4.3
203.17958	5.7
213.04022	4.1
219.21130	10.9
231.05037	9.0
231.21048	4.8
237.22067	6.7
240.29749	3.6
259.24277	6.9
261.25778	6.7
271.24173	23.0
277.25381	6.6
289.25189	34.8
289.82166	3.5
307.26373	37.7
325.27316	13.4
349.68597	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	573.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.2
68.35381	0.6
68.49648	0.6
69.96248	2.7
70.06600	0.7
76.82387	0.5
93.07011	0.6
97.10138	0.9
119.08593	0.7
121.10138	0.6
125.03667	0.6
127.04057	0.6
137.05959	0.7
140.72298	0.6
184.07378	0.6
203.05490	0.6
213.04568	0.6
259.07788	1.0
337.22620	0.6
355.23291	0.9
411.27280	2.3
443.22577	1.2
545.35364	0.6
573.32452	100.0
574.32611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3269
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
53.03933	14.4
55.01859	9.8
55.05505	17.4
56.96559	3.9
57.03423	6.7
57.07061	9.9
61.02913	7.6
61.24686	3.6
62.06048	3.4
67.05500	37.4
68.99796	7.1
69.03131	3.6
69.03429	41.0
69.07067	48.4
69.42683	12.5
69.43107	17.7
69.81690	3.6
70.06582	5.5
71.04983	14.7
72.08175	3.6
73.02906	9.6
74.06062	3.2
79.05138	3.0
79.05502	33.2
81.03417	40.3
81.07051	94.9
83.04973	4.7
83.08608	16.4
83.15952	3.3
84.70013	3.0
85.02435	4.6
85.02907	85.0
85.06510	5.5
86.09673	5.7
87.00825	38.4
90.06139	3.5
91.05476	26.6
92.08073	3.2
93.07046	60.2
95.04961	11.0
95.08603	100.0
96.66137	3.2
97.02885	43.0
97.06511	8.3
97.10156	14.0
98.97575	3.8
99.04453	19.9
105.01866	27.6
105.07023	41.7
107.04897	3.5
107.08596	51.7
109.02876	31.3
109.06512	5.4
109.10155	78.6
111.08042	7.2
111.11721	9.4
115.03872	4.2
117.01835	5.5
117.07000	7.8
119.08575	37.4
120.08112	4.9
121.10137	38.0
123.08067	4.2
123.10918	4.4
123.11707	36.8
125.13257	7.3
127.03915	66.7
127.11154	13.5
129.01802	5.3
131.08524	15.1
133.10123	31.9
135.07965	3.2
135.11697	33.8
137.09602	18.2
137.13235	13.4
139.11205	5.3
141.90649	3.9
143.08565	4.1
145.04970	21.1
145.10104	24.1
147.11707	38.8
149.09570	6.1
149.13261	35.6
151.11090	6.8
155.08456	3.8
155.10643	12.2
159.02911	17.5
159.11673	13.9
161.13203	26.1
163.14816	21.3
165.12729	12.9
173.13237	9.7
175.14798	15.2
176.63875	3.5
177.16328	5.4
179.14317	6.0
183.13698	4.9
187.14758	14.6
189.16380	20.0
191.17830	5.3
201.16342	9.8
203.17926	15.6
207.17381	12.4
211.07550	4.8
215.17915	9.0
217.58455	3.3
225.18358	6.2
231.04907	6.9
248.73518	3.8
261.25586	3.9
271.24210	41.6
277.25217	7.8
289.25253	38.9
295.26443	4.5
307.18970	5.1
307.26324	31.5
325.27295	33.3
532.75403	4.7
555.23767	12.5
573.25311	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	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03956	1.1
55.05502	3.2
57.03432	3.9
57.07075	29.0
58.05949	0.9
63.88660	1.0
67.05495	6.0
69.07068	3.5
69.19830	1.1
71.08635	18.4
71.60011	1.6
73.35061	1.2
74.63207	1.0
75.35073	1.0
79.05495	2.3
81.03416	4.7
81.07059	9.1
83.08621	6.0
85.02904	1.3
85.10181	10.4
91.05453	1.2
93.07058	2.2
95.08608	10.5
97.10172	2.5
98.98464	26.8
107.08578	1.1
109.02890	4.4
109.10165	4.5
123.11742	1.8
135.11713	1.2
155.01047	26.9
173.02086	1.6
183.74237	1.1
196.65231	1.2
239.23720	4.6
244.54242	1.2
250.37285	1.1
313.27353	100.0
317.06265	4.2
335.07330	2.3
393.24014	3.7
401.28903	2.7
510.85931	1.4
513.19043	2.5
537.28418	1.7
573.48615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79020	0.4
55.03508	0.5
67.05488	0.5
71.04993	0.5
79.89622	0.4
82.84130	0.4
85.02924	0.5
98.21506	0.9
105.07021	0.6
107.08576	0.5
109.10200	0.4
126.16069	0.4
133.10165	0.7
135.11679	0.4
203.05330	0.6
229.73026	0.5
243.00333	0.4
247.20667	0.4
259.07962	0.8
411.27234	1.6
461.20126	1.6
483.25815	0.5
491.73877	0.5
500.74554	0.5
573.32452	100.0
574.32715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05508	6.7
56.05028	1.2
56.96560	0.5
57.05808	0.5
60.71023	0.4
67.05505	0.9
69.03424	0.9
69.07059	0.6
70.06604	2.1
71.59647	0.4
72.08150	100.0
78.29498	0.5
79.05490	0.9
81.03397	0.4
81.07061	1.3
84.04491	6.3
85.02901	1.8
86.06092	0.4
86.09699	31.7
91.05479	0.7
95.04971	0.5
95.08609	0.8
97.02894	0.6
102.05531	15.8
105.07050	0.9
109.10061	0.6
116.07116	0.6
119.08568	0.7
120.08087	0.6
127.03956	0.8
128.98485	0.4
130.05002	1.4
132.10222	0.9
138.09109	0.9
143.08588	0.7
145.10135	0.6
148.06091	2.2
156.10214	1.9
161.05954	0.4
173.13226	0.5
183.11304	3.1
185.16469	9.9
199.11206	0.5
199.18008	0.6
201.12329	33.0
211.07533	0.5
213.15967	15.4
217.12248	0.4
229.11818	53.1
230.12234	0.6
245.18600	8.6
297.18192	0.8
300.19281	0.9
324.19049	0.6
328.18646	36.8
342.20184	2.9
344.25467	3.4
396.24854	0.7
413.27521	3.2
441.27026	5.0
455.28668	1.0
572.27667	0.9
572.36639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11880	0.4
53.03934	1.4
55.01855	1.5
55.05505	4.2
57.03435	1.2
57.07053	1.4
61.02920	0.8
62.29158	0.4
65.03931	0.5
67.05503	3.2
68.99776	0.9
69.03127	0.5
69.03434	6.5
69.06715	0.8
69.07066	10.1
70.56290	1.6
71.05001	0.8
71.23409	0.4
71.58269	0.4
73.02903	1.0
73.75978	0.4
79.05494	6.4
81.03423	3.6
81.07053	12.7
83.04958	0.4
83.08624	2.5
85.02905	16.2
87.00830	7.3
91.05482	3.8
93.06465	1.0
93.07043	18.5
94.86923	0.5
95.04954	1.2
95.08601	13.5
97.02881	5.0
97.06493	0.5
97.10187	2.5
99.04437	2.5
105.01864	11.6
105.07027	12.9
107.08591	14.9
108.04484	0.6
109.02880	6.0
109.10152	11.2
111.11712	5.7
117.07013	1.1
119.08581	14.3
121.10139	50.3
123.08065	0.5
123.11707	4.7
125.13253	1.5
127.03912	11.4
129.01839	0.7
131.08557	3.3
133.10130	13.6
135.11690	14.9
137.13242	1.4
145.04938	4.1
145.10095	4.9
147.11674	12.7
149.13255	10.2
151.11174	4.3
153.12712	1.0
159.02902	1.9
159.11684	7.2
161.13248	7.3
163.14835	5.2
165.12772	2.2
173.13257	8.5
174.13654	0.4
175.14816	4.5
177.12729	0.5
179.10628	1.4
187.14830	9.7
189.16386	1.0
201.16382	3.1
203.17891	1.5
205.15964	0.6
207.13763	0.9
213.03926	0.9
215.17847	0.9
219.13774	0.8
231.05032	4.0
233.15292	1.2
243.21075	100.0
244.21455	2.0
245.22655	12.0
245.25232	0.6
249.06119	2.9
261.22137	22.1
262.22348	0.6
271.20425	1.3
289.21603	33.8
290.21851	1.2
307.22659	12.3
509.27365	3.0
572.30981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.8
54.43114	0.5
55.05479	0.9
56.05000	1.2
59.21064	0.6
61.02895	1.4
67.05457	2.1
68.05022	10.7
69.03425	3.7
69.07021	1.3
69.84832	1.1
69.85252	2.3
70.06590	5.3
72.08115	1.1
73.02884	1.0
74.06038	0.7
79.05442	2.3
80.04971	1.2
81.03370	1.3
81.07050	2.9
83.06055	0.6
83.08595	0.6
84.04498	29.6
84.08096	1.7
85.02899	7.8
86.06017	2.1
86.09692	2.9
87.04465	0.9
88.03933	0.8
91.05466	6.2
93.07052	4.0
94.06502	0.6
95.01272	0.6
95.04884	0.7
95.08548	1.2
96.04489	4.6
97.02885	3.8
97.06456	0.6
98.05999	1.8
98.20831	1.1
98.99973	0.6
101.07103	1.0
102.05536	2.8
102.90069	0.6
105.07024	9.5
107.04873	0.8
107.08517	2.0
109.02840	1.1
110.07098	0.7
110.57986	0.6
113.07113	3.5
114.05519	29.2
115.43375	0.6
117.07007	3.2
119.04932	1.3
119.08577	5.2
121.10109	0.9
125.06005	1.1
126.05460	1.7
127.03875	1.5
128.06180	0.8
129.07024	3.2
129.10211	0.9
130.04993	35.0
130.07678	0.8
131.04871	0.6
131.08559	9.8
133.06340	0.7
133.71858	0.6
135.08006	0.7
136.07579	3.5
137.05901	1.2
141.47778	0.6
142.04990	18.5
142.07733	0.6
143.08551	6.0
145.10110	8.8
147.04405	3.8
147.07675	0.9
147.11681	7.6
155.08507	1.8
156.06473	0.8
156.09270	1.7
157.06335	0.9
157.10048	2.1
159.07642	13.1
159.11630	1.4
161.05904	0.8
163.03885	0.7
163.07588	0.7
166.07758	1.0
168.06511	0.6
171.07927	0.9
171.11682	17.6
173.09567	1.1
173.13249	10.0
175.07381	0.7
175.11151	1.2
175.14807	0.8
181.10077	2.0
182.04469	0.9
187.11090	2.3
199.07245	0.7
199.11159	9.6
201.12660	1.6
205.12340	1.4
215.10739	0.8
217.12251	4.3
227.10692	2.9
233.11586	1.8
234.14882	1.6
239.10939	0.6
245.11714	1.8
254.15405	1.3
260.12784	1.0
262.14383	1.4
280.15448	6.0
300.15887	4.7
302.17398	1.8
310.14368	1.4
318.17059	0.8
328.15402	8.1
330.17001	0.8
345.17963	0.8
346.16388	3.4
356.14825	1.2
363.12183	1.0
363.19119	6.4
364.17303	0.9
365.20740	0.9
374.15945	5.6
391.18588	2.2
392.17090	2.3
409.19653	100.0
410.19897	2.0
571.24799	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	571.0873
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
53.03951	0.6
55.01872	0.7
55.05487	0.7
55.42832	0.3
55.85466	0.4
56.05045	0.4
58.06599	0.4
60.08157	4.1
60.13070	0.4
67.01870	1.2
67.05499	1.1
68.99788	3.1
69.03429	0.7
69.07054	0.5
70.06606	0.7
71.07385	1.8
71.60023	0.6
79.05497	0.8
81.03416	1.6
81.07055	1.3
85.02897	0.7
86.09705	11.2
87.10052	0.8
89.03911	0.5
93.07052	0.8
97.02889	0.6
98.98498	0.6
103.05393	0.4
104.10739	23.3
105.07037	0.5
105.11074	1.5
106.26276	0.4
107.04978	1.2
107.08621	0.6
109.02886	0.9
111.04463	0.4
117.07030	0.4
120.08116	0.8
121.06554	0.4
124.99996	6.5
127.03941	0.8
131.04941	0.5
135.04436	1.2
135.11598	0.4
137.02348	15.7
137.03430	1.2
147.04407	1.2
153.01820	19.6
155.04892	0.6
161.02382	1.2
171.02950	2.5
179.03491	0.5
183.04387	0.6
184.07332	21.1
185.07710	1.8
187.03937	0.9
199.03860	0.4
201.05597	0.5
211.03905	2.1
213.05511	2.5
223.07852	0.4
225.05505	0.5
229.05058	1.2
237.05467	0.5
239.03427	2.7
241.04982	1.1
242.05904	0.4
243.02959	0.8
253.05055	1.1
255.06621	0.5
257.04526	2.7
258.05249	1.3
265.01285	0.5
265.04871	0.4
267.02914	2.1
279.02945	1.3
281.04388	2.0
283.05963	0.6
285.03885	5.7
286.04755	2.7
287.02304	0.7
287.05545	3.0
293.04227	0.5
295.06061	0.6
297.04016	1.6
299.05542	0.8
307.02451	0.6
309.03723	0.7
311.01810	2.0
319.05939	0.8
321.03979	1.1
323.05502	2.6
327.05096	1.9
335.01901	3.0
335.05362	0.7
347.09296	0.7
349.03452	0.9
351.05017	2.4
353.02979	1.4
359.05881	0.4
363.04846	0.8
377.02908	1.3
377.07022	0.8
393.05807	3.2
394.07278	0.6
395.04300	0.5
401.06580	0.5
409.09241	1.5
412.21118	1.2
417.06287	0.5
419.03604	4.3
419.08417	11.2
421.05948	0.6
435.07260	1.2
437.04965	1.6
445.05496	2.5
452.23944	2.7
453.24231	0.8
487.06845	2.1
529.07825	1.1
534.32184	1.5
535.32214	0.9
552.32513	2.3
553.33221	0.7
570.34106	1.9
571.08685	100.0
572.09125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
56.05025	6.0
57.07060	7.9
60.04526	85.8
61.09219	3.0
67.05508	17.1
69.07066	18.8
70.06578	2.8
70.62131	2.4
71.08633	4.1
71.59985	3.6
72.04491	4.1
74.06081	4.9
79.05491	11.8
80.05006	2.5
81.03423	6.2
81.07070	18.4
82.06574	4.9
83.08611	11.2
84.08137	2.8
89.06046	4.9
90.05558	4.4
91.05486	14.1
93.07047	10.1
94.06562	7.8
95.04963	4.1
95.08601	15.3
97.10180	7.7
102.28918	2.5
105.07021	5.3
107.08585	6.8
109.10147	5.1
114.19820	2.4
119.08582	7.2
121.10124	6.1
133.08606	4.0
133.10132	5.9
147.11613	2.3
149.13162	3.3
151.90329	2.7
161.13261	2.5
168.14000	2.5
176.21257	2.7
241.91327	2.8
245.22694	6.7
250.25267	5.0
262.25333	35.8
263.23584	7.8
272.25793	9.3
280.26343	35.2
291.94269	2.4
298.27414	21.1
307.13766	2.4
371.22607	2.9
516.47894	5.7
534.48749	19.6
552.49908	100.0
570.50604	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	570.509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83147	1.4
55.05503	11.1
56.05031	4.1
57.07050	7.7
59.76353	1.8
60.04522	85.6
67.05501	20.8
68.05020	1.8
69.06785	1.5
69.07069	18.7
70.06576	5.0
70.44296	5.2
71.08618	4.0
72.04491	6.5
74.06067	2.9
79.05492	14.0
81.03401	4.8
81.07053	24.1
81.94682	1.6
82.06596	3.1
83.04967	2.6
83.08610	9.4
86.06053	4.7
89.05998	4.1
90.05558	4.1
91.05476	15.0
93.07040	10.2
94.06556	5.6
95.04967	3.7
95.07352	2.2
95.08600	13.5
97.10155	7.2
98.06057	3.6
100.71668	1.7
105.07009	9.2
107.08593	9.2
108.08099	1.8
109.10137	7.1
110.09670	1.9
111.11732	2.0
119.08545	7.0
121.10151	3.8
122.09693	2.1
123.11715	2.2
133.10107	7.7
135.11636	3.8
137.13258	2.5
143.74908	1.8
147.11629	2.9
148.37292	1.7
164.84035	1.6
219.20872	1.7
228.37779	1.8
245.22716	5.5
250.25226	4.1
262.25293	39.0
263.23648	6.9
268.26376	2.1
272.25851	9.9
280.26340	39.3
298.27463	14.5
314.26880	3.3
316.28735	2.5
456.79092	1.9
516.47485	4.4
534.48547	12.8
552.49841	100.0
570.50879	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	570.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46038	6.0
55.05495	13.7
57.03429	14.2
57.80225	6.9
58.06589	16.0
59.55045	5.6
67.05499	27.7
69.03430	38.0
69.07058	27.3
69.49110	55.8
69.92509	5.8
70.06586	14.1
79.05482	22.8
81.03424	31.8
81.07050	65.3
82.65849	5.4
83.08591	10.8
85.02906	49.5
85.06525	8.1
86.09688	10.6
91.05482	26.1
93.07030	15.6
95.04974	9.0
95.08609	19.2
97.02879	19.5
97.06519	16.0
98.21459	12.9
99.04443	10.2
99.08112	6.9
105.07025	32.7
107.08602	16.0
109.02854	27.4
109.06517	6.2
109.10118	9.8
119.08586	32.7
121.10127	18.3
123.11732	35.5
127.03887	45.2
131.08566	8.2
134.99619	7.4
143.08484	8.4
145.04926	13.9
145.10095	13.9
147.11690	100.0
165.12741	48.5
175.11209	9.9
183.13806	11.0
185.13271	7.0
192.34476	7.5
193.12248	10.2
211.13342	12.4
229.14355	97.7
309.16913	7.2
319.15323	14.3
327.48633	6.7
337.16406	62.3
355.17416	56.7
373.18506	16.2
390.70676	6.9
408.19299	11.6
421.83435	6.9
451.65207	6.7
570.37195	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	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87049	4.9
53.03923	7.4
55.01870	14.6
55.05508	8.7
57.03421	7.4
64.17377	4.2
64.63275	4.8
67.05493	14.3
69.03421	19.1
69.07066	10.4
70.06580	15.8
70.29918	4.2
71.05007	7.8
71.60371	4.7
79.05493	19.8
81.03419	27.9
81.07049	33.8
83.04985	6.4
83.08610	6.7
85.02908	12.5
85.06535	10.0
85.07109	4.5
86.09712	11.1
91.05482	15.1
93.07024	43.8
95.08600	22.1
97.02879	6.0
97.06535	27.3
99.04439	19.0
105.07031	31.0
107.08591	55.7
109.02877	41.5
109.06520	11.4
109.10163	7.9
111.08078	14.1
117.07014	5.7
119.04967	6.6
119.08593	19.0
121.06498	13.4
121.10145	27.7
123.08051	11.3
123.11704	5.1
127.03901	26.8
131.08583	5.7
133.10130	11.5
135.08086	7.3
135.11667	17.5
143.08646	5.7
145.10103	30.1
147.04404	25.9
149.09619	14.7
151.07582	9.7
163.03909	5.1
163.11172	81.2
165.89732	5.4
167.10719	24.8
169.08601	80.0
169.10051	5.8
173.09564	5.1
181.12195	13.8
185.11847	5.5
191.10704	29.1
207.09955	5.5
209.11726	47.6
227.12784	100.0
243.16957	5.9
277.41843	4.6
289.14371	5.5
295.96237	5.2
325.59921	5.3
335.14758	11.2
353.15973	70.7
366.70334	5.3
371.16913	23.9
571.21149	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	570.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18766	1.8
55.05492	1.7
55.65908	1.5
56.05030	2.7
58.99588	2.7
60.04028	1.4
62.72052	1.9
63.51066	1.4
67.05499	1.8
69.03433	1.6
70.02951	13.7
70.78654	5.1
73.02906	3.1
74.00654	2.3
76.02231	8.3
76.03999	6.5
79.05473	3.8
81.07042	8.3
83.06094	7.4
84.04497	13.8
85.81381	1.4
86.00690	1.7
86.99077	1.8
88.02230	8.7
88.03988	2.9
91.05471	12.4
93.07037	8.6
95.08614	2.1
97.01112	3.8
99.05569	3.7
105.07021	16.2
107.08575	2.2
109.07640	5.4
113.00551	1.7
114.41119	1.6
115.05424	2.3
116.01672	8.7
117.07008	16.3
119.08591	8.8
128.06213	4.9
129.06905	10.4
130.04999	5.7
130.07768	2.4
131.08551	20.8
137.05997	1.6
141.07018	3.4
141.78127	1.6
142.07790	4.6
143.02774	1.7
143.08551	34.5
144.01141	2.3
145.06078	59.4
145.10115	46.5
147.02615	6.2
147.08058	2.4
147.11720	5.5
153.06665	5.2
154.07753	3.0
155.08363	12.5
156.09337	4.6
157.06470	2.0
157.10106	5.8
159.08092	2.0
159.11694	3.0
161.04208	7.8
161.09563	1.8
162.02184	9.6
163.05786	3.7
165.07198	2.2
166.07802	2.6
167.08530	2.0
169.10167	14.9
170.10880	1.7
171.11694	41.0
173.09607	5.6
173.13263	27.1
174.02191	2.0
175.05852	2.4
175.07491	3.5
175.14842	2.3
177.09167	2.6
179.04865	6.2
181.06026	1.7
181.10182	9.0
183.11703	3.6
187.11168	3.1
189.03403	2.5
189.12767	2.2
195.11748	2.6
197.09602	3.8
199.07178	4.7
199.11188	23.7
201.12720	4.9
203.08871	19.4
205.10492	3.1
209.06352	3.9
213.07480	1.7
215.10739	3.3
217.12250	27.8
219.13872	2.7
223.11195	1.9
227.10680	9.4
229.10524	4.6
231.08397	5.6
231.11984	2.2
233.06097	1.7
233.09978	2.1
245.11858	8.7
249.09390	11.5
257.09943	2.7
262.16730	1.9
263.12839	2.6
274.10284	4.6
274.12885	2.2
275.11023	4.6
277.08936	3.5
285.09357	2.2
295.10052	7.8
296.56183	1.5
302.11981	4.5
320.13159	5.1
332.12997	2.7
338.14206	28.9
348.12534	5.7
377.15195	2.6
378.13757	4.7
390.26666	1.7
406.12994	4.2
423.15747	6.0
424.14218	17.0
441.16885	100.0
495.17981	37.4
570.21246	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	569.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21250	2.6
53.03948	5.5
53.48269	2.5
55.05506	20.0
57.03426	3.4
57.07051	3.2
63.73824	2.1
65.03947	4.4
67.05502	64.7
69.03435	2.3
69.07056	14.7
70.87119	7.0
73.09531	2.3
77.34622	2.1
78.92600	2.1
79.05489	65.6
81.03409	2.8
81.07054	71.4
81.07520	5.1
83.04984	3.8
83.08618	8.9
85.41642	2.2
88.07598	2.9
89.47612	2.1
91.05477	57.8
93.07041	68.1
95.04988	13.7
95.08605	48.3
95.09161	4.1
97.06510	4.0
97.10161	5.9
105.07029	35.8
107.04961	3.5
107.08585	35.5
109.06498	6.4
109.10147	18.1
110.28820	2.2
111.08079	4.1
117.07027	19.3
119.08590	26.9
121.10143	34.9
123.08054	5.2
123.11714	4.8
129.07005	8.2
131.08566	22.2
131.59250	2.6
133.10143	18.1
135.11702	13.1
137.09570	3.3
143.08598	10.3
144.09093	2.4
145.10118	9.8
147.11685	11.7
149.13234	4.9
157.10123	8.2
159.11728	8.1
161.13269	5.2
169.10019	3.3
171.11687	5.9
173.13304	4.7
175.14775	2.8
181.10063	2.7
183.11736	2.9
185.13373	3.4
187.14987	2.5
189.16402	6.4
199.14909	6.9
201.16432	2.8
217.15919	6.3
235.17039	7.7
238.26692	2.5
261.22195	8.0
335.25790	4.3
475.02206	2.5
477.37347	4.8
509.30872	2.5
551.41125	5.6
569.42017	100.0
569.56671	4.6
570.42480	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	569.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28323	1.3
53.03942	2.7
55.01859	1.6
55.05506	19.3
57.03437	2.9
57.07067	2.9
59.86903	1.2
65.03934	3.7
67.05503	75.0
67.38272	1.4
69.03429	1.9
69.07065	23.8
71.04989	4.2
79.05490	70.4
81.03421	2.8
81.07055	73.5
83.04975	4.7
83.08628	8.6
85.06532	3.3
85.46877	1.4
87.53942	1.3
91.04890	1.9
91.05476	64.3
93.07045	76.0
95.04958	11.9
95.08600	53.4
97.06537	5.6
97.10161	5.7
105.04515	2.1
105.07032	34.4
107.04947	1.8
107.07859	2.6
107.08588	36.2
109.06523	4.6
109.10144	17.9
111.08043	2.0
115.05441	1.5
117.07013	19.2
119.08575	31.5
121.10138	39.4
123.08090	3.9
123.11703	3.6
128.06227	1.6
129.07010	6.3
131.08568	24.9
133.10136	23.2
135.08064	3.0
135.11678	15.5
137.09616	4.2
137.13231	1.5
142.07817	2.1
143.08556	7.4
145.10114	12.5
147.11685	10.9
149.09578	3.2
149.13272	3.6
157.10144	6.9
159.11707	6.1
161.13293	4.0
163.14867	1.7
169.10104	2.7
171.11714	6.0
171.83676	1.6
173.13258	5.3
175.14848	4.6
183.11714	1.9
185.13275	2.0
187.14839	3.6
189.16368	7.6
197.13234	1.6
199.06308	1.8
199.14835	9.1
206.47443	1.6
217.15865	7.4
235.16956	6.1
243.21121	2.2
261.22174	5.5
269.74643	1.6
291.19537	3.1
293.72055	1.6
309.39474	1.4
329.77527	1.4
335.25833	4.1
375.00586	1.5
477.37228	3.5
551.40869	3.9
569.41974	100.0
570.42261	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28696	0.8
69.29102	3.4
70.21548	0.4
72.65755	0.4
81.03409	0.6
91.05497	0.6
95.08609	0.4
97.06517	0.4
98.20690	0.8
104.53165	0.4
119.08540	0.6
203.05318	0.9
259.07849	1.1
331.10239	0.7
333.20337	0.4
407.24002	1.5
431.18948	0.8
497.23700	1.2
505.35425	0.4
511.25082	1.6
569.29279	100.0
570.29901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
55.05505	11.5
56.05014	1.6
57.03445	1.5
57.27449	1.4
60.08155	5.4
61.02914	2.9
67.05492	3.7
69.03424	5.5
69.07054	2.2
70.06591	11.7
70.30945	3.4
70.31342	2.8
71.04971	2.6
78.75941	1.3
79.05486	4.7
80.05021	14.1
81.03424	2.9
81.07056	6.5
82.06108	2.5
82.06581	37.1
84.04457	1.4
84.08136	2.3
85.02880	7.9
86.09709	14.9
90.12635	1.2
90.53365	1.3
91.05476	10.9
93.07033	5.6
94.06583	1.6
95.08618	1.8
96.08171	7.7
96.23617	1.4
96.81479	1.4
97.02863	3.6
99.04438	1.8
100.07609	3.7
100.11241	6.2
104.10748	20.0
105.07033	14.7
109.02885	3.4
109.10176	1.4
116.07098	4.7
117.06998	6.6
119.08563	4.3
122.06022	7.0
123.97801	1.4
124.07574	1.6
124.99992	6.4
126.05598	1.9
127.06314	2.4
128.06335	1.5
128.07076	43.5
129.07033	3.1
129.10229	1.6
130.07780	3.2
131.04929	2.7
131.08524	3.6
137.05981	3.3
140.07053	4.7
142.08644	6.3
142.12251	3.3
143.08568	2.7
144.06563	41.4
145.10124	32.5
147.11716	8.7
152.07028	1.7
156.13834	2.6
157.10170	1.9
167.10637	1.5
168.06567	9.8
170.08151	1.6
171.11646	1.5
173.09612	4.7
173.13185	1.3
175.11340	1.5
182.15492	3.3
184.07353	28.4
184.13362	2.2
209.16449	1.6
210.14850	5.7
234.75322	1.4
267.19397	3.4
285.20679	4.9
360.18094	12.0
362.19507	1.4
388.17322	2.4
406.18607	100.0
452.24283	2.2
532.30383	2.3
550.19733	1.7
550.31378	2.3
567.85693	4.3
568.23602	20.7
568.32990	4.4
568.43591	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	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81541	0.6
61.92681	0.5
67.05487	0.7
71.33172	0.5
71.60052	0.6
78.86360	0.5
79.05470	0.9
81.03390	0.7
91.05452	1.1
97.02843	0.6
98.97572	0.7
105.07000	1.2
131.08563	0.7
133.10074	0.7
147.11588	0.6
148.44150	0.5
178.75255	0.6
180.14484	0.5
185.04074	0.9
203.05238	0.9
259.07828	1.3
283.15176	2.4
331.09872	0.9
339.17758	1.1
345.20285	0.6
405.22217	1.2
498.19254	0.5
567.27466	100.0
568.27985	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	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.1
67.05506	1.0
71.59991	1.3
78.68048	0.7
79.02721	0.9
81.07037	1.3
81.45963	1.0
85.02891	1.0
93.07051	1.6
97.06535	0.8
131.06697	0.8
166.44066	1.0
184.34142	0.9
185.04091	0.8
201.03569	1.2
213.88831	0.8
259.07925	1.8
272.12396	0.9
316.67911	0.9
331.09882	1.6
387.16144	1.2
567.27716	100.0
568.27930	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	567.1346
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01861	1.5
55.05514	0.7
56.35173	0.5
57.03194	0.6
57.03439	8.3
58.28495	0.5
60.47253	0.5
61.02911	2.5
67.05485	0.7
68.99784	0.9
69.03432	7.5
70.06590	4.3
71.01336	2.1
72.08162	0.7
73.02916	14.3
81.03415	0.9
83.04951	0.9
84.04507	0.8
84.08127	1.0
85.02905	9.3
86.09708	1.6
91.05433	0.6
93.03394	0.6
95.04964	1.1
97.02895	11.8
98.97613	0.6
99.04452	0.6
102.05527	0.7
105.07043	0.7
107.04966	0.6
109.02872	1.1
111.00825	0.9
111.04465	0.6
115.03931	9.2
119.04907	0.6
121.02876	1.2
123.04410	1.0
127.03908	1.8
129.10201	0.6
133.04942	2.9
137.02338	5.4
137.05998	1.0
139.03868	1.9
145.06447	0.6
149.02318	0.8
153.01825	3.8
157.04930	1.2
163.03902	1.2
165.01845	2.0
169.05104	0.6
173.06006	0.6
183.02850	0.9
201.05515	2.7
211.05945	1.2
219.92427	0.6
229.04933	4.2
229.06915	1.2
247.05951	1.1
248.82919	0.5
257.04376	3.0
285.03906	1.3
286.17371	0.8
303.04990	100.0
315.04999	4.3
329.06552	0.8
341.06595	1.1
345.05975	3.6
353.06500	0.9
369.06082	3.9
381.06055	1.3
387.13123	0.7
388.13174	0.6
399.07053	4.7
406.10223	0.7
417.08081	2.2
435.09198	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43319	0.5
63.94476	0.5
67.05475	0.6
70.04452	3.1
70.06593	6.0
79.05507	0.5
83.04978	2.4
86.09695	1.3
100.11272	0.7
101.59506	0.5
103.05445	1.7
111.55655	0.6
125.00065	0.8
127.74077	0.5
131.04922	19.0
132.51326	0.5
140.74390	0.6
152.10736	3.2
161.93068	0.7
176.34802	0.7
180.10208	1.9
184.07359	1.9
205.79037	0.6
220.09430	1.7
231.10162	3.9
253.11031	0.6
283.68857	0.6
301.18805	0.8
336.19501	0.7
346.20911	1.3
368.14716	3.4
418.23056	4.9
418.27097	0.5
449.24210	1.6
477.23575	3.3
494.26260	1.6
566.28351	100.0
567.28564	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54720	1.9
53.03941	4.0
55.05511	10.3
57.07091	5.2
62.58481	2.3
67.05511	19.2
69.03422	6.1
69.07070	18.1
71.60285	2.5
79.05489	17.8
81.07054	29.5
83.04986	4.8
83.08607	6.1
89.88589	2.4
91.05478	26.3
93.07041	28.9
95.04976	10.4
95.08610	23.7
97.06525	4.8
99.08073	3.0
105.07029	50.5
107.08591	32.2
109.06496	5.5
109.10160	20.7
115.05486	3.1
117.07043	11.7
119.08577	57.9
119.09440	3.1
121.06529	4.2
121.10152	37.3
123.08082	7.9
123.11720	6.7
125.06032	2.5
125.09669	2.5
128.06226	6.3
129.07002	10.7
130.07831	4.5
131.08566	22.7
133.06474	2.7
133.10126	33.1
135.08070	4.9
135.11693	12.4
137.09586	4.4
140.72664	2.4
141.06992	5.5
142.07793	17.8
143.08572	22.7
144.09361	5.8
145.10115	32.5
147.08078	5.4
147.11728	9.2
149.09627	5.5
154.07811	3.2
155.08545	8.8
156.09348	14.7
157.10121	42.9
158.10941	4.2
159.08069	3.6
159.11687	21.5
161.09627	3.5
161.13284	5.8
165.07008	4.7
165.09148	9.8
167.08578	7.1
167.10681	20.3
168.09341	6.5
169.10109	22.8
170.10933	3.9
171.11662	20.2
172.12500	2.8
173.13261	20.4
173.83463	2.3
175.14822	10.7
178.07796	3.0
179.08620	9.0
180.09361	3.9
181.10165	10.3
181.12369	4.2
182.10913	6.2
183.11703	15.2
184.12656	2.5
184.30072	2.5
185.13264	14.2
187.14882	10.3
189.12727	3.4
191.14345	5.1
192.09285	2.8
193.10139	11.9
194.10953	6.6
195.11697	20.2
196.12508	4.9
197.13315	13.1
199.14810	13.7
201.16516	3.4
203.14409	4.2
204.84531	2.5
206.10876	4.1
207.11774	12.6
207.13857	2.8
208.12514	5.3
209.13243	20.0
209.57491	2.7
211.14857	14.2
213.16423	3.0
217.10226	3.5
219.11743	8.0
220.12518	5.9
221.13298	12.7
221.15453	14.9
222.14070	3.3
223.14818	11.6
225.16411	3.3
227.17941	3.0
231.11684	4.2
232.12402	3.5
233.13263	7.8
233.15457	7.7
234.14133	4.5
235.14896	8.5
237.16457	6.2
239.17928	3.4
243.11760	2.6
244.12584	3.5
245.13336	7.5
246.14212	4.0
247.14767	4.5
248.15623	3.2
249.16379	4.1
251.17982	5.6
257.13159	3.5
259.14835	4.5
260.15570	3.2
261.16339	5.5
263.17914	7.5
265.19632	6.7
269.19061	2.7
271.14920	3.3
273.16315	4.9
274.17154	3.1
275.18033	5.0
287.17972	3.2
289.19434	4.9
301.19455	3.6
315.20981	2.7
329.22745	3.6
331.24377	2.8
357.25607	3.6
412.27789	2.5
473.34225	9.9
509.34647	5.0
529.38306	3.3
547.39709	14.2
565.40460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.05495	7.1
57.07081	5.4
63.21026	2.2
67.05508	17.6
69.03423	5.9
69.07072	15.5
71.15383	5.0
77.57791	2.1
79.05494	18.4
81.07053	21.4
83.08627	6.5
84.91426	2.3
85.06538	3.9
91.05486	26.4
93.07044	36.0
95.04970	8.1
95.08613	26.8
97.06531	3.6
97.10203	2.7
103.44459	2.2
105.07032	48.9
107.08605	31.5
109.06500	5.6
109.10143	17.5
117.07025	12.1
119.08574	52.8
121.06491	3.6
121.10145	39.7
123.08090	7.6
123.11710	9.1
128.06265	7.9
129.07054	8.8
130.07744	3.2
131.08569	17.2
133.06538	2.9
133.10133	26.0
135.08047	5.9
135.11726	9.7
137.09641	6.8
139.11140	2.1
141.06935	3.7
142.07799	13.5
143.08569	23.1
144.09317	4.2
145.10121	33.4
145.11151	3.9
147.08061	9.5
147.11713	11.9
149.09608	4.3
151.07568	4.7
153.07021	2.6
153.09100	2.4
155.08568	11.5
156.09337	11.2
157.10117	34.7
158.10899	3.4
159.08046	4.2
159.11682	18.4
161.09625	4.8
161.13268	5.3
163.11119	3.8
165.07034	5.2
165.09073	10.9
167.08650	5.4
167.10728	9.0
167.76227	2.1
168.09367	3.6
169.10109	21.3
170.10910	6.2
171.11699	26.4
173.13243	19.6
175.14801	5.0
178.07889	2.1
179.08598	9.0
180.09415	3.4
181.10124	11.4
181.12294	4.8
182.10916	6.2
183.11693	16.8
184.12529	4.0
185.13260	16.8
187.14861	6.3
189.12759	2.3
191.14308	2.7
191.80112	2.6
192.09448	2.1
193.10130	7.6
194.10921	9.4
195.11725	20.9
196.12511	4.4
197.13255	13.6
198.14044	2.8
199.14850	11.1
201.16444	6.1
203.08531	2.5
203.14386	7.0
205.10135	4.1
206.11005	8.2
207.11754	8.6
207.13684	2.8
208.12563	4.3
209.13272	16.3
210.14171	2.3
211.14841	7.1
213.16402	4.1
215.14328	3.2
217.10156	3.9
218.11122	2.5
219.11734	8.7
220.12573	3.3
221.13271	13.3
221.15425	27.1
222.14029	4.5
223.14832	10.7
224.15440	2.2
225.16547	4.6
231.11630	3.0
232.12547	2.7
233.13266	9.1
233.15236	4.4
234.14223	3.2
235.14748	10.2
237.16415	5.5
239.18059	4.7
243.11827	2.5
245.13290	6.1
246.14049	3.0
247.14867	8.2
249.16512	7.6
251.17992	4.3
253.19704	3.0
258.14163	3.9
259.14893	3.8
260.15744	4.4
261.16425	7.7
263.18021	5.5
265.19629	7.1
266.42581	2.1
271.14777	2.7
273.16458	4.8
275.17984	5.8
277.19537	3.9
277.54163	2.1
279.20999	2.8
283.20587	2.7
285.16464	3.9
289.19525	3.1
295.20618	2.2
301.19321	2.7
319.24484	2.4
327.21030	2.3
331.24323	4.6
347.23962	3.5
357.25687	6.0
365.24649	5.8
385.29031	3.2
473.34427	10.9
491.32870	2.9
547.39258	11.9
565.40472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37068	0.7
51.02368	0.8
52.18834	0.8
53.03933	3.3
55.05508	9.4
57.07073	6.3
59.04997	1.6
65.03934	2.1
67.05497	14.9
69.03428	3.6
69.07062	9.5
69.40118	6.4
69.40521	2.3
77.03913	1.5
79.05046	1.4
79.05489	15.3
81.07056	23.3
83.04971	3.7
83.08609	4.6
85.06529	2.7
91.05478	26.4
93.07037	32.6
95.04971	6.7
95.08606	21.0
97.06528	1.3
97.10131	1.1
98.20768	2.0
103.05463	2.9
105.07027	48.1
106.07792	0.9
107.08592	25.0
109.06496	5.8
109.10157	17.4
111.08081	1.1
113.09634	0.9
115.05431	3.0
116.06212	1.6
117.07012	11.7
119.08575	51.8
121.06525	2.4
121.10136	32.7
122.07303	1.1
123.08057	9.1
123.11701	6.2
125.05981	2.0
125.09641	0.9
128.06227	6.9
129.07002	10.9
130.07765	4.1
131.07578	1.1
131.08566	18.4
133.06563	1.0
133.07632	0.9
133.10126	29.4
135.08043	5.7
135.11678	11.3
137.09601	7.8
139.07515	1.4
141.06990	6.3
142.07770	15.8
143.08554	23.7
143.09691	1.4
144.09315	5.0
145.06516	1.7
145.10118	32.6
145.11275	1.9
147.08054	11.4
147.11691	11.4
149.09627	5.2
149.13257	1.4
151.07564	7.3
153.07002	2.5
154.07748	3.1
155.08556	10.7
156.09360	12.1
157.10114	35.9
158.10889	5.4
159.08049	1.7
159.11688	15.8
161.09598	3.0
161.13243	5.0
162.56239	0.9
163.11211	5.0
165.07034	5.3
165.09114	19.3
166.07806	2.8
167.08569	5.9
167.10672	6.1
168.09383	3.5
169.10118	17.6
170.10892	5.5
171.08060	0.9
171.11674	20.2
173.09647	2.5
173.13248	15.2
175.11200	2.0
175.14879	4.8
177.09135	1.7
177.12720	0.8
178.07784	1.1
179.08563	9.3
180.09267	5.1
181.10104	10.9
181.12189	3.4
182.10895	6.3
183.11687	16.0
184.12505	3.2
185.09685	1.2
185.13260	16.9
187.11140	1.0
187.14830	7.0
189.12761	3.5
189.16408	0.9
191.08580	1.6
191.14325	3.5
192.09346	4.3
193.10133	11.7
194.10910	8.2
195.11679	15.8
196.12503	3.8
197.13232	13.5
198.14026	1.5
198.61810	0.8
199.11128	2.0
199.14827	8.2
200.78220	0.9
201.12874	1.7
201.16393	3.0
203.08568	1.0
203.14313	7.6
205.10133	3.0
205.15904	1.4
206.10960	5.6
207.11711	12.5
207.13701	2.3
208.12482	4.8
209.13263	16.4
209.15108	1.3
210.14053	2.4
211.11090	1.2
211.14818	7.6
212.15836	0.9
213.12805	1.9
213.16489	5.7
215.14333	1.4
217.10149	2.5
217.15889	1.6
218.10953	3.0
219.11781	6.3
219.13882	1.4
220.12479	5.3
221.13243	10.2
221.15402	30.6
222.14055	3.4
223.11263	1.3
223.14778	8.4
224.15479	1.3
225.12817	1.0
225.16330	4.5
229.10150	2.0
230.10902	2.7
231.11649	4.8
232.12474	3.1
233.13245	7.3
233.15388	3.7
234.13956	2.2
235.14899	9.3
236.15573	1.9
237.12849	1.0
237.16429	6.4
239.17921	6.6
241.19513	1.5
243.11728	2.8
244.12537	2.2
245.13213	8.2
246.13991	4.4
247.14801	6.2
247.17038	2.6
248.15515	2.1
249.16437	4.1
250.17145	1.5
251.17903	4.3
253.19508	5.4
257.13297	3.3
257.19080	1.2
258.13998	2.4
259.14835	6.1
260.15567	3.0
261.16364	7.2
262.17136	1.8
263.17957	5.0
265.19449	6.8
269.13254	1.7
269.18954	1.2
270.14078	1.6
271.14847	3.9
272.15613	2.1
273.16342	4.0
274.17099	1.7
275.17892	4.3
277.19595	4.8
279.21207	1.3
281.13217	1.4
283.14819	1.4
283.20621	3.1
284.15671	1.5
285.16425	3.0
287.17807	2.4
287.20462	1.2
289.19421	3.1
291.20941	1.8
295.20486	1.3
297.16409	1.8
299.17746	1.9
301.19571	3.3
310.16977	1.2
311.17831	1.6
312.21014	1.1
313.19269	1.1
315.20966	2.9
317.22473	1.8
323.17798	1.6
325.19485	1.6
327.21143	2.3
329.22726	2.7
331.20630	1.6
331.24237	4.7
341.22513	1.6
343.24261	2.2
347.23755	1.4
350.20566	0.9
355.24170	1.5
357.25778	5.1
359.23605	1.3
365.24628	2.0
367.20361	1.0
373.25394	1.3
385.29196	2.1
395.27554	1.4
425.28418	1.6
473.34250	11.8
485.34094	2.8
491.33090	2.1
509.34271	2.6
529.38757	1.3
547.39227	10.1
565.40393	100.0
566.40948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.05517	21.3
57.03437	11.7
57.07072	6.1
62.20267	3.7
64.91959	3.8
65.03944	3.8
67.05505	80.5
69.03426	10.2
69.07065	20.8
71.05007	6.0
71.60105	3.7
71.60452	4.2
74.62476	3.8
79.05490	70.2
81.03448	7.5
81.07056	86.1
83.04987	15.2
83.08627	6.8
85.06527	5.8
87.04470	9.5
91.05477	45.9
91.66250	4.9
93.07039	94.6
95.04967	12.9
95.08611	66.1
97.06529	8.1
97.10172	7.0
99.92271	4.3
105.07044	37.0
107.04952	6.7
107.08595	54.1
109.06485	5.3
109.10143	25.9
115.25700	4.6
117.07042	12.0
119.08556	35.9
121.10139	100.0
123.08064	10.2
123.11723	20.1
128.69484	3.8
129.07019	5.0
130.98723	3.8
131.08566	35.0
133.10152	27.1
135.11676	21.5
139.11150	9.2
142.07899	4.6
143.08536	9.9
145.10109	23.2
147.11693	16.8
149.09656	24.8
149.13287	10.9
157.10114	8.9
157.29437	4.0
159.11707	17.0
161.13301	11.0
167.10670	29.3
169.10133	9.3
171.11697	7.1
171.19109	3.7
173.13286	11.4
175.59015	4.6
183.11768	10.9
185.11778	8.1
185.13248	5.6
195.10153	8.8
197.13297	6.9
207.11757	6.4
209.13298	6.6
213.11198	9.0
232.12572	4.0
243.21129	10.9
261.22134	48.3
275.17865	4.5
279.23251	5.9
287.14917	36.3
294.83551	4.1
313.27386	6.0
317.24786	10.2
335.25851	58.2
343.24155	5.7
547.37543	13.1
565.39978	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	565.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.05513	31.6
57.03437	16.7
57.07075	4.7
65.03939	5.5
66.90892	3.9
67.05502	88.1
69.03427	9.0
69.07072	22.5
70.70640	13.4
71.05016	5.7
79.05492	85.0
81.03428	6.2
81.07061	80.1
82.96925	3.5
83.04990	14.3
83.08613	13.5
85.02869	7.6
85.06529	4.6
87.04462	8.9
91.05475	40.4
93.07040	85.7
95.04974	11.0
95.08604	74.7
97.06539	7.2
97.10182	6.4
105.07018	33.5
107.05035	5.0
107.08574	60.7
109.02924	4.0
109.06503	3.9
109.10149	35.9
117.07024	14.9
119.08566	34.8
119.14921	4.1
121.10145	100.0
123.08105	12.1
123.11718	13.7
125.09653	5.0
129.07016	9.2
131.08569	39.8
133.10127	23.1
135.08067	4.3
135.11708	22.6
137.13297	5.6
139.11211	9.5
142.07849	3.9
143.08617	7.5
145.10132	19.4
147.11696	12.0
149.09605	34.4
149.13280	16.6
155.08553	4.3
157.10124	8.3
159.11696	15.9
161.13263	8.0
163.14815	4.7
167.10634	33.1
171.11713	7.5
173.13243	12.6
175.14857	7.6
177.09169	4.0
183.11780	5.4
185.11765	7.8
185.79730	4.5
187.14842	6.8
187.50827	5.0
195.10159	11.7
197.13174	4.3
236.85835	3.5
241.14485	5.2
243.21083	12.7
249.16370	5.0
261.22125	45.3
269.14029	6.3
287.14923	49.6
317.24704	10.2
335.25766	46.8
358.22836	4.0
387.46698	3.7
445.33121	5.3
547.36633	9.2
565.39362	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	565.1549
Annotation	Apiin
Peak:m/z	Relative Intensity
55.99671	0.1
57.03417	0.3
59.04977	0.1
67.01851	0.3
68.99796	0.2
69.03084	0.1
69.03425	1.0
70.27730	0.3
73.02872	0.1
75.04457	0.1
85.02895	0.8
86.57603	0.1
86.73701	0.1
87.04469	0.5
91.05434	0.2
91.50005	0.1
93.07053	0.1
97.02890	0.7
107.04928	0.1
109.02865	0.1
115.03931	0.5
119.04922	1.2
119.19370	0.1
121.02814	0.4
121.98894	0.1
127.03957	0.1
129.01855	0.1
129.86606	0.1
133.04918	0.4
145.02846	0.5
153.01820	3.5
163.03886	0.5
163.78322	0.1
167.07014	0.1
171.02869	0.7
203.07008	0.2
225.05428	0.3
226.89677	0.1
229.04898	0.2
243.06557	0.2
247.06006	0.1
265.65475	0.1
271.05988	100.0
272.06335	1.7
283.06027	0.2
313.07443	0.2
317.06497	0.2
337.07059	0.1
372.57822	0.1
403.10056	0.2
433.11295	9.6
434.11755	0.2
580.50110	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	565.1552
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.67042	0.1
55.01851	0.1
57.03439	3.1
60.01502	0.1
61.02934	0.9
68.99804	0.4
69.03448	0.8
69.86491	0.8
70.06579	0.4
71.04974	0.5
72.08147	0.2
73.02920	6.8
79.05515	0.1
81.03408	0.5
84.04543	0.2
84.08109	0.1
85.02898	1.6
86.09685	0.2
87.00819	0.3
91.05493	0.7
97.02919	0.4
105.01857	0.2
107.04937	0.2
109.02889	0.5
111.00797	0.6
111.04405	0.2
115.03947	0.5
121.02865	1.8
127.03899	0.8
133.02847	0.4
137.02318	0.7
137.06006	0.2
145.05052	0.2
145.06543	0.3
147.04416	0.4
148.11960	0.1
152.25368	0.1
153.01830	3.2
157.06479	0.3
159.02901	0.2
159.34172	0.1
161.05923	0.1
165.01852	1.5
167.07056	0.2
171.04413	0.2
177.00949	0.2
183.02942	0.7
185.05989	0.3
203.03502	0.2
213.05482	1.0
229.04842	0.3
231.06558	0.6
241.04901	0.7
257.77206	0.1
258.05334	0.7
259.06036	0.4
274.04761	0.3
285.03827	0.3
287.05496	100.0
288.05838	1.4
299.05304	0.2
302.04260	0.7
317.06567	6.4
329.06537	0.2
419.09644	0.3
433.11307	5.4
513.72797	0.1
547.14984	0.2
565.18536	0.2
577.49695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside
Peak:m/z	Relative Intensity
55.01879	7.3
56.96569	3.3
57.03431	3.3
57.60965	3.1
61.02931	4.0
69.03418	5.8
69.55088	16.1
69.55508	8.3
70.06590	9.8
72.08149	7.2
79.05468	3.7
80.39407	3.5
81.03396	5.3
81.07040	2.6
84.08138	4.6
85.02901	13.8
86.09692	7.7
87.04479	3.1
91.05484	8.4
95.04931	4.4
97.02859	6.4
98.20831	5.4
105.07015	4.2
107.04916	6.9
107.08606	4.0
109.02857	3.7
109.06559	3.1
110.02425	3.1
119.04939	10.4
120.08118	4.6
121.02859	48.4
121.06524	4.4
121.10177	3.1
127.03922	3.5
129.10228	3.9
133.10156	7.7
137.06001	8.5
145.02864	6.9
147.04420	4.7
149.06027	3.7
163.03914	5.2
165.01855	4.7
167.07039	12.9
179.03331	4.1
181.05000	3.6
181.08583	7.1
189.01804	4.1
191.03340	6.2
191.14294	5.0
195.02919	10.4
199.03937	4.8
203.03391	14.3
205.04993	6.3
207.02885	12.6
207.59401	3.2
209.08011	4.7
213.05466	3.9
215.03334	7.5
217.04956	5.9
219.02887	6.1
221.04439	9.1
233.04440	7.4
243.02834	5.3
243.45042	3.5
255.03061	3.5
268.07281	3.9
279.06674	6.9
280.07214	3.1
283.06149	5.5
293.08322	7.1
294.05127	23.8
295.05997	96.1
295.09476	5.1
296.06696	8.5
297.07593	8.3
306.08881	5.5
307.06027	56.5
308.06653	29.1
308.09454	3.3
309.07523	28.2
313.07056	4.0
317.08267	4.6
319.06067	8.7
320.06757	9.8
321.07571	54.0
322.08279	13.4
323.05463	3.7
323.09213	9.1
325.07056	92.1
329.08197	6.9
333.07629	27.0
334.08286	7.7
335.09195	26.7
337.07053	61.1
339.09134	5.9
345.07605	17.5
346.08151	4.8
347.09064	9.6
349.07047	59.3
349.11002	2.5
351.08569	34.0
355.08200	14.9
361.07028	37.7
362.07767	3.4
363.08704	28.9
365.10452	4.8
367.08124	8.8
373.06891	15.4
375.08643	14.0
379.08127	95.4
387.08362	8.4
389.10062	5.8
391.08112	55.4
397.09253	28.9
401.10602	4.9
403.08160	18.0
405.09631	4.2
409.09174	77.5
415.09317	9.9
417.09698	4.4
421.09201	14.2
427.10294	100.0
427.16144	5.1
433.09290	15.8
439.09906	10.2
439.15433	3.8
445.10550	21.2
451.10327	18.1
457.11224	22.7
463.10065	9.1
469.11346	26.4
475.10614	11.1
481.11246	44.3
493.11472	30.0
499.12381	33.6
511.12387	73.4
515.12891	13.3
529.13434	47.5
547.14587	28.3
565.15771	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	565.1548
Annotation	Apiin
Peak:m/z	Relative Intensity
55.01866	1.1
56.90816	0.1
57.03193	0.1
57.03439	1.8
59.04996	0.2
61.02911	0.4
68.99800	0.3
69.03422	0.9
69.35490	1.2
71.01334	0.5
71.05000	0.6
71.05303	0.1
73.02929	0.9
75.32388	0.1
81.03412	0.1
85.02908	1.8
87.04453	0.2
91.05455	0.2
97.02873	0.4
103.03896	0.1
105.03413	0.2
107.04939	0.2
109.02880	0.2
110.77988	0.1
111.00805	0.7
111.04406	0.1
115.03929	0.7
119.32475	0.1
121.02852	1.9
133.02924	0.3
133.04968	1.1
135.04402	0.1
137.02339	0.4
139.45409	0.1
141.07121	0.2
141.75500	0.1
147.04405	0.4
153.01837	2.5
157.06468	0.2
165.01836	1.5
175.04004	0.2
183.02907	0.5
185.05954	0.3
197.06012	0.2
213.05473	1.0
231.06511	0.5
241.04910	0.6
258.05273	1.0
259.05984	0.5
273.61581	0.1
275.79666	0.1
287.05490	100.0
288.05829	1.6
296.88589	0.1
329.06567	0.2
383.07721	0.2
419.09506	0.2
433.11273	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	565.119
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	1.7
55.01880	1.4
55.05500	0.3
57.03436	1.5
58.88502	0.3
61.02936	1.3
65.03931	0.3
68.99786	0.8
69.03081	0.5
69.03429	6.9
70.06595	1.5
71.04989	1.3
71.06915	0.3
71.59386	0.4
72.08142	0.6
72.21158	0.2
73.02919	3.2
73.35912	0.2
76.29235	0.3
78.20027	0.3
81.03418	7.9
83.01325	0.3
84.04498	0.5
84.08118	0.3
85.02904	11.8
86.09700	0.9
87.00833	4.7
91.03937	0.4
91.05453	1.1
91.16843	0.3
92.02614	0.8
93.03407	0.9
97.02884	4.4
99.04465	2.1
103.03992	0.3
105.01859	3.3
109.02876	5.8
111.00777	0.4
116.98696	0.3
117.01842	0.9
120.08065	0.4
121.02854	1.3
126.03075	0.4
127.03915	8.9
129.01799	0.7
129.10245	0.3
137.02351	0.5
137.05994	0.9
138.19437	0.3
139.03899	0.9
145.04965	2.6
147.02863	0.6
151.03879	0.5
153.01813	5.9
153.02977	0.4
159.02902	4.3
163.03923	0.3
165.01840	0.9
181.08623	0.3
183.02963	0.4
201.05452	0.6
203.03375	0.3
213.05640	0.3
217.04936	0.7
218.05763	0.3
228.04163	0.9
229.04959	2.9
229.07069	0.4
231.02988	0.5
231.05016	0.9
245.04398	0.7
246.05263	1.2
257.04379	2.4
258.05145	0.3
260.03412	0.3
261.07715	0.3
271.06039	0.4
271.50922	0.3
273.03900	1.7
274.04770	3.6
284.03320	0.4
285.03958	3.9
287.05478	25.1
299.05438	0.3
302.00757	0.6
302.04214	11.8
317.06552	100.0
318.06873	1.3
359.07452	0.5
433.11322	1.2
565.17950	0.6
565.28168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1187
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	2.1
55.01878	1.8
57.03429	1.1
61.02929	1.0
65.03936	0.4
68.99785	1.0
69.03427	6.9
71.04977	0.8
73.02915	1.7
76.71546	0.2
80.41188	0.2
81.03416	8.2
83.01344	0.3
85.02903	12.3
87.00300	0.3
87.00829	5.1
87.04449	0.4
91.03960	0.5
92.02612	0.8
93.03398	0.7
95.04949	0.2
97.02881	4.3
98.20723	0.5
99.04456	3.0
105.01852	3.5
109.02880	7.8
117.01846	1.2
121.02869	1.0
124.01654	0.2
126.03124	0.5
127.03911	9.5
129.01834	0.8
139.03897	0.9
145.04935	3.0
147.02881	0.7
151.03899	0.8
153.01825	7.0
159.02887	5.1
165.01820	0.6
175.59761	0.2
177.05470	0.5
179.03371	0.2
183.02887	0.3
201.05495	0.5
203.03404	0.4
213.03874	0.2
217.04991	0.8
218.05777	0.5
228.04164	1.4
229.04956	3.6
229.71227	0.3
231.02953	0.4
231.05034	0.9
243.06575	0.4
245.04469	1.0
246.05263	2.0
257.04456	2.2
260.03165	0.4
261.07596	0.3
271.05969	1.5
273.03906	1.9
274.04703	4.2
284.03183	0.5
285.03931	4.9
302.04214	11.3
313.93088	0.3
317.06549	100.0
318.06985	1.2
349.94574	0.2
359.07529	0.5
424.25195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
53.74689	2.5
55.01867	8.0
55.05510	39.8
57.03426	12.5
65.03951	7.1
67.05502	89.5
69.03448	3.7
69.07066	33.8
71.05017	6.0
71.61462	3.0
79.05493	67.3
81.03410	12.3
81.07056	100.0
83.04978	11.5
83.08628	21.2
85.06543	5.4
89.63350	2.5
91.05483	61.7
93.07046	70.3
95.04961	13.9
95.08607	70.4
97.06521	13.9
97.09621	2.6
97.10167	16.3
105.06364	5.2
105.07027	52.6
107.05020	2.9
107.08587	50.4
109.06491	7.3
109.10165	31.0
111.08082	6.5
117.07016	19.8
119.07780	4.8
119.08583	45.9
121.06464	3.5
121.10155	43.8
123.08072	6.1
123.11720	10.7
125.09602	16.0
128.06221	3.4
129.07008	14.6
131.08571	36.4
132.08905	3.0
133.10139	38.7
135.11678	19.1
137.09601	5.6
137.13258	3.6
139.11157	9.9
142.07724	3.5
143.08583	12.7
145.10112	30.2
147.11681	24.8
149.09601	7.7
149.13275	12.8
155.08585	5.7
157.10165	14.1
159.11687	24.0
161.13255	12.0
163.11179	6.0
163.14767	4.0
167.10756	3.1
169.10159	7.4
171.11703	11.5
173.11830	4.3
173.13258	15.3
175.14857	6.8
177.12767	4.3
181.10100	3.2
182.10712	2.8
183.11681	7.2
185.11794	2.9
185.13301	9.1
187.14798	9.6
189.11246	8.5
189.16376	3.6
193.12256	6.1
197.13260	7.6
199.14792	8.6
203.12805	5.7
211.13171	3.6
211.14915	4.6
221.13316	4.2
223.14767	3.4
227.12769	7.4
229.14264	5.4
239.16394	3.1
241.14383	6.1
241.19640	2.6
243.21104	4.8
246.39482	3.0
261.22211	6.1
267.15961	12.5
271.20590	4.1
285.22067	4.8
287.23700	11.6
289.21671	7.5
299.23657	4.8
301.25189	5.5
303.23230	4.4
317.24579	4.5
335.25793	12.0
347.25705	3.5
363.24991	3.0
417.31616	3.4
435.32312	9.9
453.33777	14.2
471.34979	14.7
475.29553	2.8
489.35178	5.0
509.36496	3.7
527.37238	40.0
533.80865	2.8
545.38385	65.8
546.39264	5.2
563.39380	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09660	2.7
50.84455	2.6
53.03938	6.3
55.01870	7.7
55.05265	3.5
55.05509	39.8
57.03432	10.0
57.07073	3.7
65.03922	3.4
67.05504	100.0
67.05866	5.1
69.03410	3.3
69.07068	27.6
69.86568	16.9
71.04993	8.6
74.46207	3.1
76.37907	2.7
78.77073	2.9
79.05488	54.3
81.03419	20.7
81.07052	95.3
83.04966	12.0
83.08620	22.1
83.25738	2.7
85.02910	5.0
91.05479	50.5
91.07307	2.8
92.05818	4.8
93.07043	58.8
95.04961	17.3
95.08604	59.9
97.06522	12.3
97.10155	12.0
99.08082	4.8
105.07027	56.6
107.04980	5.7
107.08593	45.6
107.87206	3.1
108.13432	3.1
109.06504	10.6
109.10159	37.6
111.04443	8.3
111.08078	12.9
113.06026	3.2
115.05438	3.1
117.07001	19.9
119.08585	50.4
121.06493	7.0
121.10152	33.6
123.08054	6.5
123.11710	11.0
125.09596	14.8
128.06151	3.0
129.06972	11.9
131.08562	27.9
133.10124	40.5
133.78438	3.4
135.08044	4.6
135.11691	21.1
137.09583	5.5
137.13260	4.7
139.11154	3.0
141.07027	4.5
142.07721	4.3
143.08562	18.7
145.10117	34.8
147.11650	25.2
149.09618	12.4
149.13245	9.3
151.11098	3.8
153.12773	7.2
155.08546	6.4
155.10623	3.6
156.09308	5.0
157.10130	22.2
159.11716	18.1
161.13268	11.1
163.11165	8.7
163.14874	3.8
165.12819	4.9
167.08562	4.0
169.10144	10.3
171.11670	13.6
173.09692	3.2
173.13222	13.8
175.11208	3.8
175.14841	5.1
179.08499	3.1
181.10172	3.9
181.12204	4.8
183.11671	9.8
185.13167	8.1
187.14874	8.0
188.48251	2.8
189.11217	6.0
193.10399	3.3
193.12231	16.9
194.10866	3.7
195.11662	5.4
197.13301	3.9
199.14835	5.3
207.11696	6.3
209.13344	5.0
209.15314	3.6
211.13260	22.5
211.14967	5.3
219.11716	3.6
221.13219	3.8
223.14906	4.7
225.16405	3.5
227.12769	9.6
229.14281	3.3
233.13219	3.5
233.15474	3.5
233.45486	3.0
235.14812	3.8
243.15752	3.5
247.14828	3.3
247.17068	3.5
261.16324	3.6
261.22089	12.5
267.15887	3.6
277.21753	4.1
279.23300	5.0
285.16946	11.4
285.22089	6.1
301.25232	4.7
303.23251	8.6
317.24554	4.7
335.25815	15.5
350.44385	3.2
417.31662	5.0
435.32321	10.3
453.33176	9.0
462.93289	3.2
471.34393	9.8
487.34290	3.2
509.35693	3.9
527.37305	26.9
545.38220	77.1
563.20831	4.2
563.39093	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	563.2108
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
55.01850	0.7
56.05042	1.2
56.96560	1.0
65.68593	0.7
69.73632	2.0
69.74063	2.7
70.06594	6.8
72.08141	2.3
84.04494	1.7
84.08134	2.7
85.02901	1.7
86.09712	3.5
89.07128	1.0
91.05491	1.2
97.02879	0.8
98.97609	1.4
105.07036	0.8
107.04957	0.8
116.98647	1.2
120.08127	0.8
121.06471	0.8
129.10237	2.3
132.48868	0.7
134.99643	1.0
136.28523	0.7
137.05995	1.1
143.08546	1.3
145.10126	0.8
165.42165	0.7
168.90973	0.7
171.11719	1.5
175.03691	1.7
199.11183	2.0
204.07642	2.8
217.12282	2.5
219.06265	1.0
237.02896	0.9
245.11658	1.0
249.66496	0.7
351.10321	2.4
365.12082	3.3
368.32715	0.7
401.15665	10.9
563.20935	100.0
564.20856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07340	0.4
53.86324	0.4
55.05497	0.7
56.96561	100.0
67.05478	0.9
69.07042	0.6
71.59966	0.7
71.95258	6.2
72.95695	0.5
72.96043	2.5
74.79276	0.5
74.97581	2.2
79.05499	0.7
80.30297	0.5
81.07041	0.9
82.13505	0.4
84.96028	4.9
85.02908	0.7
91.05465	1.2
93.07018	0.5
95.04957	0.4
95.08602	0.6
97.06534	0.5
98.97577	0.7
102.97057	1.2
105.00145	0.6
105.07034	1.4
107.04965	1.3
110.99684	0.5
116.78793	0.4
116.98565	0.6
117.07056	0.6
119.08592	1.7
123.01215	1.3
127.03825	0.5
128.98523	0.6
129.07004	0.7
131.08586	1.1
133.15729	0.5
134.99666	0.8
136.99170	0.5
137.02759	1.6
141.02214	1.6
143.08548	1.1
145.10114	1.0
146.99675	1.8
147.08075	0.4
147.11591	0.7
149.01193	0.6
153.01878	1.2
155.00191	1.0
155.03780	5.3
155.04956	0.7
155.08545	0.9
158.25270	0.4
165.00728	0.5
165.02361	0.6
167.03815	0.6
169.01814	0.7
169.10083	0.5
171.11708	1.7
173.01219	18.4
173.04845	1.0
173.13177	0.7
177.05986	0.4
181.05389	1.5
183.03317	1.9
186.01593	0.5
187.02782	1.9
187.04268	0.5
189.05983	0.6
191.02263	13.9
191.03719	0.6
193.01759	0.5
193.05402	0.7
195.03326	0.6
195.06952	1.8
196.02812	1.1
197.04883	1.6
199.02751	0.5
199.04442	0.6
199.06392	0.6
199.11179	1.0
201.04297	1.4
201.05872	1.7
201.12721	1.9
205.03711	0.9
205.05385	2.1
207.03304	1.2
207.06859	1.1
209.04790	1.2
209.06528	0.7
210.01930	0.5
211.00873	0.5
211.02797	0.6
211.06398	1.0
213.04167	0.6
213.05974	0.9
213.07852	0.7
214.03937	0.5
215.05739	0.8
217.05373	7.0
217.12245	1.0
219.03333	1.7
219.06940	4.3
220.04164	0.6
221.04848	2.9
221.08447	2.2
223.02795	0.9
223.06427	1.2
223.10013	0.8
225.04324	1.2
225.64116	0.5
227.03969	0.5
227.07509	7.0
229.05489	0.7
229.08987	6.9
231.03345	0.8
231.06950	4.4
231.10506	2.1
232.04027	1.0
233.04845	1.6
233.08542	1.5
235.02655	0.5
235.06393	3.5
237.04327	3.9
237.08058	1.2
239.05933	1.8
239.09499	0.9
241.05302	1.5
243.06966	1.9
245.04736	1.7
245.08533	19.7
245.11075	1.0
247.02782	1.3
247.06374	1.7
247.10045	16.0
248.03342	0.6
248.10457	0.5
249.04413	1.7
249.07990	2.3
249.11635	6.8
250.05011	0.5
251.05824	2.1
251.09663	0.5
253.07408	0.6
255.03093	0.5
255.06993	1.3
257.04514	1.0
257.08618	5.7
259.06351	6.9
260.06924	0.5
261.04318	1.4
261.07941	4.3
263.06183	2.6
263.09503	5.6
265.04218	0.6
265.07581	1.8
265.11111	3.4
267.09216	0.5
267.12491	1.0
268.10138	1.1
269.07281	0.5
270.11597	1.3
271.02908	0.5
271.06348	0.8
273.04190	3.6
273.07993	7.3
275.06110	1.5
275.09518	25.0
277.07489	7.0
277.10349	0.8
279.05566	0.8
279.09009	1.4
281.10373	0.7
283.69034	0.5
286.04700	2.9
286.07574	0.5
287.05670	2.6
289.07480	1.7
291.05527	1.4
291.08972	8.6
293.10574	47.9
294.10831	0.9
298.11053	3.2
300.09122	0.6
301.07281	9.1
305.06827	0.5
307.08624	0.9
309.10040	4.0
311.11639	43.5
316.12204	4.2
319.08502	33.8
319.12314	0.9
324.08987	0.6
329.12793	1.6
334.13248	3.2
337.09564	65.0
338.09885	0.6
342.10095	5.5
355.10742	1.8
360.11258	4.8
373.13138	1.1
383.11139	3.1
399.10834	5.6
401.12238	4.0
417.12106	0.9
431.13290	7.1
439.17679	0.8
457.19589	0.6
464.92825	0.5
465.15994	1.6
475.21896	1.4
493.22488	1.5
517.19141	0.6
519.20404	8.2
537.21539	1.2
545.18268	1.2
563.19373	34.3
581.20361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.176
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
50.95224	0.1
56.96552	0.4
57.03440	0.6
58.39617	0.1
60.36359	0.1
67.01872	0.3
68.99762	0.2
70.06572	0.3
71.04990	3.6
71.59907	0.2
81.03381	0.2
81.07007	0.1
85.02902	4.4
86.09687	0.1
91.05490	0.2
95.77180	0.1
97.06490	0.1
103.05475	0.7
105.03388	0.3
105.07025	0.2
107.04955	0.2
117.06922	0.1
123.64585	0.1
129.03348	0.3
129.05495	0.8
132.08870	0.1
137.05968	0.3
145.02858	0.4
147.04373	0.6
147.46404	0.1
151.07677	0.1
153.00716	0.2
153.01831	2.0
159.11592	0.1
160.30667	0.1
171.02908	0.6
177.05473	0.8
183.03171	0.1
187.07558	0.2
209.06006	0.3
231.03021	0.2
231.06641	0.2
231.09024	0.2
249.04187	0.2
255.06508	100.0
256.06808	1.1
257.07123	0.1
275.07809	0.1
317.01068	0.5
383.10431	0.2
401.12109	0.1
417.11783	9.2
433.10806	0.3
483.11417	0.1
563.14874	0.3
563.25006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
56.96565	6.0
65.03963	0.6
66.04750	0.7
67.05502	1.3
69.03424	1.0
70.06578	2.5
71.11845	0.9
71.12209	1.3
81.03415	1.0
81.07050	1.3
83.04985	0.7
84.08125	1.0
85.02888	1.3
86.09703	2.2
89.03915	1.4
90.04644	0.9
91.05459	3.0
93.07033	1.4
95.04971	0.8
97.02903	0.8
103.05475	7.3
104.06242	2.0
105.03371	1.0
105.07037	1.9
106.04129	0.7
107.04927	2.3
115.05432	0.9
117.03378	0.9
117.06998	0.7
118.04181	1.6
119.04935	1.3
119.08576	0.7
120.08122	1.3
120.58791	0.6
121.06481	1.7
129.10187	1.1
130.04178	1.2
131.04933	22.9
132.05711	24.3
133.02853	1.7
135.04413	1.0
135.08150	0.9
137.05983	1.4
145.02869	1.1
146.03580	1.0
147.04391	1.3
148.05191	1.8
149.05995	3.2
158.67300	0.6
159.04448	2.5
160.05212	15.2
161.05966	1.8
162.06767	1.1
163.03917	2.0
163.07564	4.0
165.05473	2.1
167.07037	5.6
173.01263	1.3
173.05971	1.0
176.04694	2.6
177.05492	12.7
179.07043	6.1
180.07809	7.2
181.04959	0.9
182.72884	0.6
183.03432	0.6
187.03937	5.2
191.05698	0.6
191.07031	25.7
192.07814	100.0
193.08218	1.5
199.03978	0.9
207.06549	6.1
208.07257	1.3
209.08153	0.9
210.08875	0.7
217.05072	1.4
221.05986	0.7
245.08476	1.1
255.07104	0.6
275.09521	1.1
293.07712	1.0
293.10651	3.2
295.09787	0.8
311.11926	3.4
319.08545	3.0
321.07535	2.0
322.78284	0.7
325.10568	1.8
337.09399	4.5
341.10086	3.3
353.10220	23.7
371.11273	20.0
401.20184	0.8
416.16129	0.7
468.24075	0.7
527.15027	0.9
545.16370	4.1
563.18140	6.1
563.29095	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00447	0.5
53.28514	0.7
56.96521	0.7
71.59769	0.6
71.60190	0.9
91.05432	0.5
119.24762	0.6
121.02750	0.7
147.04391	0.9
168.50047	0.6
171.05823	0.7
182.99126	0.5
195.04976	1.1
219.05084	0.8
225.28424	0.5
237.06078	1.2
239.03979	0.9
261.06161	1.0
263.03983	0.6
279.07138	3.6
293.02808	2.6
301.05640	2.3
305.05057	0.5
311.03952	5.1
319.06699	0.6
329.05051	83.4
330.05316	1.3
343.06644	0.6
345.02628	0.7
347.06116	40.7
348.06406	1.1
352.06586	7.5
352.10794	0.6
353.06967	0.6
384.61127	0.5
424.02618	0.5
431.05997	0.5
562.39990	0.9
563.08240	100.0
564.08154	3.2
576.21161	0.6
581.09277	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	562.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27593	2.0
53.03939	8.4
55.01873	9.0
55.05509	2.5
56.05040	2.8
57.03431	5.7
60.04524	4.2
61.02928	5.5
67.05500	3.4
68.99792	3.9
69.03429	27.3
69.07064	2.6
70.06598	13.0
71.04986	5.7
71.59782	3.0
72.08150	5.4
73.02921	7.3
79.05494	8.1
81.03426	31.5
81.07053	15.9
84.04509	3.7
84.96040	2.8
85.02912	61.1
86.09714	17.3
87.00830	25.1
87.04458	2.4
88.89312	1.7
91.05478	27.6
93.07040	6.1
95.04977	6.4
95.08591	5.6
97.02892	44.1
97.06540	3.6
98.97578	2.2
99.04450	12.2
102.05550	5.1
105.01871	20.7
105.07032	29.4
107.04966	22.4
107.08594	7.5
109.02882	36.6
111.04421	2.8
115.05435	3.7
116.98631	2.1
117.01871	4.6
117.07037	14.3
119.04918	3.5
119.08588	14.3
120.08086	2.8
121.06514	2.6
121.10119	3.6
121.22083	2.0
123.04461	2.7
127.03925	54.7
128.06216	7.1
129.01917	2.7
129.06984	14.2
129.10251	3.8
131.04930	5.2
131.08563	25.3
133.06493	4.1
133.10138	6.0
135.04439	3.1
135.08064	2.2
137.02370	3.1
137.05905	2.1
139.03955	2.5
141.06990	13.2
142.07813	2.9
142.18665	2.1
143.08572	50.2
145.04961	18.2
145.06477	6.8
145.10127	75.8
145.11278	3.7
146.10907	4.0
147.04478	2.6
147.08035	3.3
147.11684	45.8
147.12790	4.0
149.05974	3.2
153.05493	5.4
153.07019	3.6
154.07753	20.7
155.08595	10.4
156.09410	3.6
157.10165	11.7
159.02922	17.5
159.04202	2.5
159.08064	6.4
159.11665	18.2
161.09563	2.5
167.07300	2.5
167.08574	13.7
169.10132	100.0
171.07848	4.2
171.11687	18.3
173.06035	4.1
173.09636	9.7
175.07474	4.2
175.11177	10.3
177.05455	5.2
179.07207	1.8
179.08492	10.7
181.10188	2.9
185.05647	2.3
185.09615	2.4
187.07550	3.8
187.11180	44.1
189.09102	3.5
189.12741	9.2
191.10707	5.5
193.12250	7.2
197.09625	49.0
199.11107	3.1
203.10725	5.7
205.12254	28.3
205.24020	1.9
207.13921	2.3
213.03902	4.7
215.10674	95.8
217.12268	7.6
221.11752	2.9
225.09087	7.7
231.05081	11.5
231.10085	2.5
233.11722	73.2
243.10172	28.8
249.11346	3.8
251.02377	2.6
251.10129	4.4
251.12793	87.5
261.11212	53.8
269.03384	3.3
279.09271	3.2
279.12283	57.7
285.11154	2.6
294.18890	2.0
297.13309	8.2
300.12048	2.9
325.07770	2.3
334.08228	2.2
351.12283	4.6
369.13367	4.8
370.68359	2.1
430.97284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57247	8.0
55.05507	37.9
57.03438	8.9
67.05499	96.7
69.07051	22.8
71.60253	12.8
79.05489	61.1
81.03403	12.3
81.07049	98.3
83.04999	8.8
83.08607	13.9
91.05476	67.4
93.07040	71.4
95.04981	18.5
95.08599	50.7
97.10146	13.4
105.07037	62.4
107.04939	9.8
107.08591	42.8
109.06512	18.1
109.10126	39.2
111.04428	8.1
117.07039	18.4
117.52583	6.8
119.08563	38.4
121.10130	28.1
123.08061	7.0
123.11762	12.2
128.86700	7.7
129.06985	9.2
131.08563	30.6
133.10112	24.5
135.11662	21.8
139.59158	7.1
143.08569	7.9
145.10126	21.6
147.11682	27.9
149.13257	12.9
151.98050	8.8
157.10150	13.2
159.11722	18.0
161.09637	7.2
161.13223	12.1
169.10118	7.4
173.13191	12.6
185.13246	10.0
197.13188	8.4
197.83481	7.3
203.14304	7.0
209.11646	15.6
227.12784	16.3
229.14320	8.1
267.28223	7.2
273.22125	11.1
293.21100	17.4
315.23193	16.4
378.14380	7.8
449.16052	12.5
451.32001	10.3
469.33249	18.4
476.29349	8.3
487.34396	15.0
517.21771	20.9
525.35535	23.4
543.36957	100.0
561.25403	8.4
561.37476	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01494	2.5
55.01864	7.4
55.05510	30.1
57.03429	9.1
57.07077	4.1
59.04991	2.7
65.03954	3.6
67.05506	100.0
69.03444	4.2
69.07068	34.8
69.30909	32.1
71.04996	4.7
73.38898	2.3
79.05495	54.3
81.03421	6.3
81.07053	73.3
83.04980	9.7
83.08631	18.6
85.06554	5.3
91.05481	53.4
93.07044	56.4
95.04969	16.3
95.08605	45.4
97.06535	10.4
97.10210	8.7
105.07029	46.4
107.04952	5.7
107.08585	42.0
109.06525	10.6
109.10134	38.8
111.04421	6.7
111.08092	5.3
117.07014	22.0
119.08586	32.8
121.06528	7.5
121.10145	23.2
123.08075	7.9
123.11712	9.8
125.09600	4.2
128.06239	4.3
129.07021	15.3
131.08571	28.1
133.06551	4.1
133.10121	25.6
135.08089	8.9
135.11662	23.7
137.09618	5.9
141.07014	3.4
143.08578	10.4
145.10126	25.6
147.08086	4.9
147.11707	20.8
149.09615	5.8
149.13211	6.1
151.11189	5.7
155.08594	4.2
157.10136	13.5
159.08008	4.5
159.11665	18.8
161.09717	4.7
161.13310	8.5
163.11182	9.7
169.10068	4.1
171.11665	13.5
173.09636	7.5
173.11835	6.5
173.13263	11.5
175.11215	6.0
177.12859	4.1
181.10205	5.8
181.12230	4.7
183.11725	8.0
185.13315	8.0
187.11192	4.0
187.14798	4.3
189.12773	4.4
189.16222	2.9
197.13313	6.8
199.14888	5.8
201.12791	3.8
209.11742	16.8
221.15381	7.7
227.12695	6.6
227.16327	3.3
229.14375	11.7
247.17107	3.7
257.18927	3.0
259.20660	2.7
261.22037	7.4
271.20654	3.2
273.18875	2.8
273.22012	14.5
283.15353	12.9
289.21655	6.5
297.22281	5.5
299.20047	4.4
301.21765	5.0
315.23294	19.9
317.21097	10.1
319.22662	3.6
373.23697	9.2
389.26788	7.0
433.30988	5.8
451.32202	16.6
469.33099	15.7
477.27902	3.1
487.33997	8.4
525.35718	15.7
543.36792	96.5
561.38037	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
53.25426	4.4
55.05517	18.9
57.03434	5.3
57.07067	3.9
65.03970	4.3
67.05503	68.1
69.07058	20.8
70.19106	17.1
71.04983	4.3
78.90759	3.6
79.05493	51.7
81.03428	4.9
81.07050	66.3
83.04980	9.1
83.08630	12.1
91.05489	25.8
93.07047	61.6
95.04987	12.4
95.08598	69.5
95.09161	7.0
97.06558	5.4
97.10179	6.5
105.07044	22.1
107.04964	8.9
107.08603	42.3
109.10155	24.2
111.08136	4.5
117.07029	11.3
119.08559	19.9
121.06516	10.7
121.10129	23.8
123.11709	4.1
131.08549	10.3
133.10132	16.7
135.11678	49.2
145.10097	29.6
147.11661	7.4
149.13255	8.0
159.11641	6.1
160.33510	3.7
163.11205	55.4
173.13292	4.9
180.59126	3.9
181.12239	10.0
227.12773	100.0
227.14908	7.7
243.21170	8.1
244.44870	4.3
261.22089	20.2
279.22955	3.9
283.15378	37.7
293.21179	5.9
317.24692	7.9
335.25797	55.7
536.55823	4.6
543.36829	38.5
561.39575	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01868	10.3
55.05509	34.2
57.03434	13.7
57.07082	4.1
65.03941	5.5
67.05502	100.0
69.03430	3.1
69.07063	36.7
70.66580	2.4
71.04980	9.1
79.05490	76.1
81.03407	6.1
81.07054	97.7
83.04972	16.7
83.05361	1.9
83.08625	22.2
85.02892	3.2
85.06541	5.4
91.05477	71.5
93.07044	78.7
95.04974	16.3
95.08600	53.3
97.02900	5.5
97.06540	11.9
97.10175	10.2
98.20702	4.7
99.08058	2.9
105.04538	2.9
105.07024	56.9
107.04959	8.0
107.08591	58.1
107.09293	4.5
109.06523	8.3
109.10151	37.4
111.04455	17.4
111.08088	6.5
115.05436	4.0
117.07024	25.6
119.08575	38.1
121.06514	7.4
121.10136	34.7
123.08080	6.2
123.11707	8.1
124.21463	2.4
125.05984	3.2
125.09644	13.0
128.06239	4.8
129.06978	13.1
131.08556	37.1
133.06520	5.3
133.10130	34.8
135.08121	8.1
135.11681	31.0
137.09564	4.8
141.06973	4.9
143.08557	15.2
145.06543	4.4
145.10115	29.5
147.08101	7.6
147.11690	22.0
149.09624	7.0
149.13322	7.6
151.11162	5.6
153.09166	2.3
153.12749	7.0
155.08574	11.6
157.10115	13.5
159.11723	21.8
161.09651	3.1
161.13301	9.3
163.11172	21.9
163.14806	4.6
169.10159	7.7
171.11716	12.8
173.09666	6.4
173.11957	3.1
173.13167	13.1
175.11235	4.7
175.14871	3.9
177.12798	3.1
181.10150	4.0
181.12219	10.7
183.11757	7.5
185.13298	6.0
187.11223	4.1
187.14847	6.1
189.11227	6.2
189.12790	4.6
191.10728	9.6
193.12167	3.9
195.11732	6.1
197.13289	5.0
199.14865	3.7
209.11688	36.5
209.13312	4.4
211.13211	3.1
211.14972	2.9
213.16451	3.9
221.15363	2.8
227.12717	22.9
229.14226	5.7
229.71004	2.7
241.16039	2.2
243.21173	4.6
245.13808	2.9
253.14462	5.1
259.20682	5.5
261.22052	11.9
271.20532	3.3
271.64890	2.9
273.22174	7.3
275.20081	2.9
277.21637	3.8
283.15439	22.8
289.21402	5.6
297.22147	2.4
299.20145	4.8
299.23694	2.5
301.21664	3.7
315.23245	11.8
317.21326	4.4
317.24902	6.1
333.24527	3.4
335.25793	6.8
373.24026	4.6
388.04742	2.3
389.27008	3.6
415.30405	2.8
423.32901	2.6
433.31186	8.4
451.32193	19.2
469.33121	19.6
487.34268	15.0
497.82550	2.8
517.35498	3.5
525.35736	20.6
543.36694	78.8
544.37427	2.4
561.37946	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31628	7.5
52.53520	7.0
55.01860	8.0
55.05507	30.9
57.03439	9.6
60.37476	7.2
67.05498	93.9
69.07055	21.9
71.04963	7.5
71.60994	7.5
79.05486	62.9
81.07056	80.0
83.04960	6.7
83.08643	14.1
91.05495	27.1
93.07034	86.2
95.04964	18.2
95.08610	79.6
97.10168	7.9
99.04454	8.9
100.11202	7.6
105.07024	27.7
107.04955	12.3
107.08582	55.6
109.10172	23.6
117.07018	12.7
119.07823	8.5
119.08582	31.9
121.06452	8.3
121.10155	30.5
131.08557	15.8
133.10152	23.4
134.66963	7.0
135.11678	54.6
145.10107	36.5
147.11743	16.5
149.13257	14.8
163.11174	58.9
181.12268	15.0
206.72395	8.0
227.12772	100.0
243.21135	11.9
261.22177	30.5
283.15472	42.0
293.21103	13.5
317.24863	8.2
335.25778	77.3
421.20975	7.2
543.36639	45.1
561.39508	91.4
579.72968	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	561.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25742	0.4
55.05460	0.6
56.96530	0.5
66.19908	0.4
69.03362	1.8
71.60403	0.6
81.03352	0.7
81.06977	0.9
85.02901	3.0
86.09644	0.5
93.06979	0.9
97.02830	1.3
97.06435	1.0
100.95054	0.4
105.06967	0.6
107.04908	0.9
107.08578	0.6
127.03844	1.0
139.03838	0.6
145.04970	0.5
153.01831	13.1
161.13176	1.0
163.03856	0.6
168.25949	0.5
185.04234	3.0
203.05272	7.6
203.06967	1.2
216.97815	0.5
229.05075	0.5
234.98906	1.4
237.02841	0.6
271.05829	0.5
273.03778	1.0
277.00015	0.7
302.04321	2.6
303.05042	0.8
309.04004	0.5
311.05481	0.7
313.03339	0.9
315.05148	0.8
326.04172	1.7
327.04996	4.1
339.04926	1.0
339.17590	0.6
339.88855	0.5
355.08112	2.6
356.42209	0.5
371.11176	0.9
381.09708	1.3
381.18719	2.6
399.10901	44.7
399.19830	66.8
400.11090	3.0
400.20218	1.0
409.09561	0.6
481.11664	0.8
561.25128	100.0
562.25342	1.9
575.36365	0.5
584.32318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01619	1.9
55.01870	23.0
55.05509	24.0
57.03438	17.9
57.07053	5.3
60.03659	1.6
61.02911	7.2
61.26309	1.5
65.03928	4.3
67.05505	100.0
68.61591	1.4
69.03429	48.6
69.07066	19.3
70.86648	5.3
71.04981	8.6
73.02917	51.6
75.04482	2.8
78.61383	1.6
78.97649	1.4
79.05493	56.4
79.05956	2.8
79.20119	1.5
81.03413	37.4
81.07056	97.5
83.04989	12.8
83.08620	12.2
85.02903	32.5
85.06538	1.9
90.92602	1.5
91.05478	41.9
93.07043	60.0
95.04990	10.0
95.08607	82.2
97.02882	17.0
97.06531	5.2
97.10152	6.8
98.98463	3.7
99.04452	20.8
99.08086	2.2
103.03905	2.0
105.07028	30.5
107.04940	3.0
107.08594	37.5
109.02885	64.2
109.06507	5.9
109.10155	43.7
110.03679	10.9
111.04440	59.7
111.08092	3.5
113.02370	1.8
115.03815	2.2
117.07003	13.4
119.08586	26.8
121.06459	2.0
121.09300	3.1
121.10139	39.9
123.08087	4.1
123.11700	18.8
125.09606	4.5
127.03915	32.0
128.06197	1.6
129.06990	4.5
131.08569	24.5
132.99553	23.1
133.10118	25.2
135.08084	3.4
135.11682	24.2
137.09622	3.6
137.13242	6.7
139.11157	1.7
143.08571	3.8
145.04982	2.8
145.10120	21.1
147.11681	16.2
149.09612	4.3
149.13240	15.4
151.00648	9.0
151.11131	3.2
154.99933	2.1
155.01076	2.9
157.10068	4.6
159.11700	15.9
161.13257	13.8
163.11226	4.4
163.14812	9.2
164.98492	1.6
165.12766	2.4
165.16388	1.5
167.00067	2.9
169.01704	2.2
171.11684	2.8
172.99028	5.1
173.13239	14.4
175.14842	6.0
177.16408	3.2
179.14252	1.9
183.11644	1.9
185.13300	3.2
187.14784	8.2
189.11266	1.6
191.00107	32.3
191.10696	3.3
199.15018	1.5
201.16354	3.1
209.01048	9.5
209.11761	6.0
227.12637	2.2
241.19325	2.3
243.21033	14.8
258.40524	1.7
259.20645	2.7
261.22125	43.9
265.03754	3.0
279.23251	3.8
283.15536	2.0
299.23672	1.9
303.23114	3.4
315.23068	3.5
317.24689	8.3
335.25800	37.7
337.27322	4.2
369.24146	2.7
469.33261	2.3
543.36743	13.9
561.27081	65.4
561.37469	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44706	0.7
56.96542	0.9
59.94434	0.8
62.66849	0.8
69.03383	1.4
70.06576	1.6
71.54081	0.8
71.59724	0.9
84.04517	0.9
85.02906	1.9
85.07641	0.8
86.09713	1.7
87.05558	2.3
97.06468	0.9
101.85085	0.7
105.07040	1.0
105.22740	0.8
107.04945	3.9
107.08583	0.7
109.02866	0.7
112.26633	1.0
120.94268	0.7
124.13842	0.9
127.03890	1.2
137.05869	0.8
137.08200	2.0
145.09941	1.0
146.34093	0.7
154.45648	0.7
172.00015	0.9
185.04135	1.0
237.14444	0.9
250.59464	0.8
298.35867	0.8
334.71732	0.8
399.19888	100.0
400.20190	1.1
421.99457	0.8
475.28387	2.1
517.29736	4.2
561.24890	81.7
562.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01869	0.4
55.05499	0.4
56.96563	0.3
57.03424	0.5
58.31488	0.2
61.02946	0.3
65.76075	0.2
67.05504	0.5
69.03426	13.3
69.07053	0.5
69.37041	1.4
69.37450	0.5
71.04984	0.4
79.05492	0.7
81.03419	1.5
81.07050	1.3
83.01331	0.2
85.02420	0.3
85.02898	4.9
87.75005	0.2
91.05480	0.6
93.07027	0.7
95.04971	0.7
95.08604	0.5
97.02888	3.4
98.20766	0.5
99.04457	1.7
99.87534	0.2
103.03955	0.3
105.07018	3.5
107.04948	100.0
108.05273	0.7
109.02879	1.3
117.07010	0.8
119.08568	1.1
127.03911	14.1
129.06975	0.5
131.08563	1.3
133.10138	1.0
135.07932	0.3
143.08583	0.5
145.04951	3.8
145.06253	0.3
145.06497	0.3
145.10114	1.5
146.04552	0.2
147.08131	0.2
147.11678	2.6
150.03152	0.6
153.01836	2.9
153.05455	1.0
155.08533	0.4
157.10117	0.9
159.11684	5.6
160.12456	1.2
161.13245	7.3
168.09337	1.3
169.10100	0.3
171.11646	0.2
173.06035	0.3
173.13268	0.4
177.00821	0.2
179.03375	0.4
183.11696	4.3
187.07536	0.3
189.05461	0.4
191.07031	0.8
201.12753	1.5
204.04245	0.3
205.05023	0.3
211.11264	0.3
219.06587	0.7
229.12276	1.4
232.03624	0.7
233.08125	1.9
247.13301	4.7
261.07639	0.4
265.14313	6.1
273.03955	2.6
274.04675	1.0
279.08554	1.4
286.04602	0.3
287.05630	0.6
289.03149	0.2
297.09686	6.3
297.12802	0.4
301.03510	0.5
302.04205	14.1
303.04773	0.7
313.03406	0.3
367.17953	0.3
399.10721	15.8
400.11169	0.3
561.14856	0.5
561.22650	0.5
561.37183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.53594	0.2
55.01877	0.4
55.05499	0.8
56.96540	0.3
57.03427	0.9
61.02909	0.7
63.91952	0.2
67.01859	0.4
68.99786	0.7
69.03431	3.5
69.07060	0.3
69.29073	2.8
70.06576	0.3
71.04997	0.4
72.08157	0.3
73.02913	0.5
76.75493	0.2
79.05491	0.4
81.03419	1.5
81.07059	0.6
85.02425	0.4
85.02913	5.7
87.04487	0.6
91.03956	0.5
91.05474	0.6
93.07024	0.3
95.08607	0.3
97.02886	2.9
97.06534	0.5
98.20725	0.6
99.04472	0.5
105.07051	0.5
107.04961	1.4
107.08616	0.3
109.02864	0.9
119.08610	0.3
121.10177	0.3
127.03909	1.8
129.06999	0.4
131.04883	0.3
131.08507	0.5
132.95857	0.4
139.03908	1.7
143.08575	0.6
145.04990	0.6
145.06419	0.2
145.10129	0.3
147.04408	0.5
151.03911	0.2
153.01828	25.1
155.08499	0.5
156.09200	0.3
157.10220	0.3
158.97429	0.8
159.04451	0.5
159.08113	0.3
159.11707	0.7
161.13234	2.0
162.96884	0.3
163.03937	0.5
167.07047	0.9
175.03891	0.6
175.07535	0.8
176.98489	0.4
177.05518	0.8
179.03375	0.7
185.13280	0.4
189.01764	0.6
199.07585	0.3
201.05548	0.5
201.09085	0.4
203.03426	0.5
203.06972	1.6
205.05070	0.7
216.04112	0.4
216.07814	0.4
216.98045	0.3
217.08560	0.3
219.03001	0.3
229.05023	0.4
229.08662	0.6
231.06702	0.5
232.03648	0.6
234.99031	1.9
239.03452	0.3
243.06462	0.4
244.07324	0.4
245.08165	0.6
247.09671	0.5
253.00102	0.5
255.02931	0.4
255.06538	0.6
259.02423	0.9
267.02982	0.6
269.04419	0.9
271.06064	0.6
273.03845	1.6
274.04611	0.6
277.00040	1.7
281.04489	0.6
283.02393	0.3
285.03949	0.8
297.04034	1.6
298.04742	1.0
299.05551	0.5
302.04202	6.9
303.04944	0.8
309.04007	0.9
310.04681	0.6
311.05521	1.7
313.03452	2.3
313.06808	0.4
314.04260	0.5
315.04929	1.3
325.03375	2.0
326.04178	4.2
327.04999	9.1
329.02975	0.6
335.09372	0.3
337.03436	0.3
339.05081	2.8
342.03720	0.4
343.04364	1.2
348.06836	0.3
351.05130	0.5
355.08160	2.3
363.08572	0.3
369.09558	0.7
371.11240	2.3
377.10358	0.5
381.09656	2.9
399.10754	100.0
400.11099	2.0
405.09824	0.4
409.09158	0.7
435.10779	0.6
441.89987	0.3
481.11588	0.9
561.16205	0.4
561.23926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
56.86206	0.6
57.03417	1.7
59.81415	0.4
61.02914	1.0
62.06059	0.6
67.05479	0.9
69.03429	4.9
69.56877	3.5
70.06567	1.4
70.22077	0.5
70.73323	0.5
73.02897	1.6
81.03419	2.1
85.02904	6.2
86.09692	1.5
86.80639	0.5
87.04499	1.0
95.77066	0.4
97.02895	2.9
99.04432	0.8
105.06972	0.7
107.04958	2.4
109.02881	1.3
116.12724	0.5
119.08585	0.7
127.03872	1.6
131.08554	0.4
134.04608	5.3
135.03047	0.5
145.04944	0.6
145.10109	0.7
152.05695	1.1
158.07205	0.5
161.13226	0.9
163.03848	0.5
163.14981	0.5
165.02307	5.8
167.02580	0.9
175.09824	0.8
181.05479	0.8
182.04953	100.0
183.05290	0.6
187.14943	0.6
190.03131	0.5
194.04968	2.9
200.09326	1.5
205.05449	4.0
216.04686	1.5
219.06979	1.5
221.08434	0.7
224.05946	0.7
231.06972	12.9
231.09186	0.7
248.09644	26.2
249.10045	0.5
254.03127	0.5
266.10693	59.9
267.10974	0.7
276.19687	0.4
294.20715	2.7
312.21579	0.9
314.08896	0.9
338.01581	0.5
344.10333	0.5
374.48611	0.6
380.13931	0.8
398.14960	7.8
399.10843	1.2
428.15979	49.9
429.16360	1.0
438.18167	0.5
560.20178	33.9
561.19641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39239	2.5
52.96922	2.4
53.03942	4.3
54.63616	2.6
55.05503	16.1
57.07069	5.8
60.23842	2.3
62.60126	2.8
67.05155	4.1
67.05496	35.5
67.53773	2.9
69.07056	12.3
70.13525	14.8
79.05490	59.8
81.07049	32.0
83.08608	10.1
85.06516	2.9
91.05468	22.1
93.06468	4.3
93.07040	81.4
95.04972	8.2
95.08612	25.0
97.10155	5.2
103.05466	3.0
103.98964	2.9
105.07034	15.0
107.08586	37.0
109.10128	14.8
117.07023	7.5
119.08595	14.8
121.10141	43.6
123.11703	4.3
131.04939	16.2
131.08530	6.6
133.10117	15.2
135.11702	38.9
145.10115	5.9
147.11650	10.4
149.09593	4.7
149.13255	23.5
159.11612	3.4
163.14842	6.5
171.11710	4.1
173.13321	5.3
185.13211	3.2
209.43793	2.7
231.10101	4.4
247.60518	2.8
259.20578	3.5
277.21616	100.0
328.95105	3.3
333.61041	3.2
484.39813	2.8
542.35382	4.2
577.18695	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
53.19586	2.5
55.05260	4.1
55.05510	54.2
57.03417	4.6
57.07063	9.4
67.05167	5.1
67.05500	66.0
69.03442	2.5
69.06724	6.0
69.07069	89.6
71.04990	7.3
71.08631	3.6
79.05496	34.1
81.03381	2.7
81.07056	76.1
83.04965	7.4
83.08608	52.8
85.06532	6.9
91.05477	29.8
93.07038	37.0
95.04955	7.9
95.08607	77.3
97.06512	13.3
97.10162	64.0
99.08111	7.7
105.07025	35.7
107.08594	28.2
109.06470	3.9
109.10149	35.5
111.08069	8.4
111.11709	29.9
113.09607	4.0
117.06999	9.6
119.08569	28.5
121.10146	41.4
123.08089	4.1
123.11683	9.0
125.09593	8.5
125.13234	8.2
128.06177	2.9
129.07027	4.3
131.08540	9.5
133.10129	31.9
135.11703	36.1
137.09610	9.8
137.13261	9.5
139.11133	8.2
139.14813	4.0
141.09087	3.3
141.89717	2.9
143.08560	6.6
145.10127	3.4
147.11687	26.3
149.09613	5.3
149.13239	8.1
151.11148	8.4
151.14787	7.6
153.12746	6.5
157.12265	7.1
159.11719	7.6
161.13264	18.6
163.11148	4.9
165.12723	13.7
171.11687	4.0
173.13257	4.1
175.14844	6.5
179.14273	10.3
183.11568	3.2
183.13739	5.9
188.74847	3.1
189.09198	4.3
193.19423	7.1
217.19518	56.3
227.12766	5.3
235.20555	81.8
235.22766	6.4
253.21629	100.0
271.22653	40.9
281.13580	3.9
315.33209	3.4
335.25565	4.1
430.80478	3.0
467.31546	4.9
541.35260	18.1
559.36340	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	27.0
67.05503	100.0
68.49052	10.7
69.07056	24.2
70.90962	14.9
70.91304	31.1
79.05482	98.3
81.07056	72.5
83.04990	30.2
85.35581	10.7
91.05488	70.9
93.07053	96.4
95.04985	18.4
95.08586	52.0
102.43608	11.7
105.07023	65.7
107.08591	33.6
109.10172	23.9
117.06987	15.7
119.08566	19.1
121.10168	17.9
131.08601	14.6
133.10138	27.8
143.08592	17.5
145.10095	19.8
147.11687	44.0
161.13298	10.6
171.11700	28.0
207.13806	19.5
264.89752	12.0
281.17383	40.3
335.25906	52.1
488.74390	13.2
541.39130	74.0
559.31854	27.1
559.40521	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	38.0
57.03437	18.2
67.05507	100.0
69.07038	16.8
70.12926	38.6
71.04978	9.5
79.05491	71.3
79.55592	7.8
81.07059	88.0
83.04974	18.6
83.08623	11.6
83.56812	8.1
91.05470	61.7
93.07047	77.6
95.04939	15.4
95.08615	54.5
105.07025	51.5
107.08572	22.9
117.07034	24.1
119.08569	29.6
121.10163	18.5
129.07018	16.3
131.08577	20.9
133.10153	20.5
135.11714	12.8
143.08574	14.3
145.02855	23.3
145.10176	13.7
147.11729	34.7
171.11731	30.0
177.05519	51.8
203.88368	8.9
207.13899	21.3
261.22153	14.7
281.17480	59.1
335.25873	34.2
541.38916	57.3
559.39386	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.05508	26.8
57.03428	6.5
63.84893	5.6
65.03960	7.6
67.05164	7.7
67.05505	84.3
69.07073	21.7
70.26438	6.2
74.24165	5.0
79.05492	100.0
81.03402	8.0
81.07062	72.6
83.04984	11.1
83.08629	9.9
91.05472	53.8
93.07040	80.1
95.04959	19.5
95.08605	63.0
98.20641	6.3
105.07033	47.3
107.05004	5.9
107.08596	42.3
109.06512	7.4
109.10164	18.7
117.07032	15.5
119.08591	34.9
121.10119	32.9
123.08137	6.4
128.06250	7.5
129.07007	15.4
131.08556	20.2
133.10120	23.4
135.11720	11.4
143.08578	11.1
145.10124	14.9
147.11702	32.2
147.54382	5.8
149.13234	9.8
157.10150	6.9
159.11676	11.1
161.13228	14.4
171.11714	19.4
173.13268	9.0
189.12776	7.3
199.14914	6.3
207.13823	14.4
243.21024	6.8
261.22018	11.7
279.16016	9.3
281.17441	25.4
335.25797	51.0
368.73605	6.6
377.69186	6.2
380.32956	5.5
517.78296	6.1
541.38928	67.6
559.39825	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.7
53.03943	4.3
55.01871	6.9
55.05260	2.7
55.05512	40.6
57.03433	4.7
57.07072	4.8
59.05006	4.1
65.03921	4.2
65.16250	1.7
66.96570	1.6
67.05504	71.0
69.03419	3.9
69.07075	22.4
69.42972	2.1
70.80374	5.0
71.04990	3.2
75.48919	1.7
79.05056	3.5
79.05495	59.7
81.03418	4.5
81.07056	69.1
83.04980	6.9
83.08629	20.9
85.06544	3.1
91.05481	53.9
93.07043	58.4
93.07628	3.6
95.04961	13.4
95.08611	45.7
97.02920	3.7
97.06538	6.2
97.10172	28.6
99.00818	7.6
103.05461	2.0
104.14847	1.7
105.07031	46.4
107.04963	8.2
107.08582	37.6
109.02890	10.6
109.06525	5.1
109.10149	22.2
111.04473	2.4
111.08089	6.0
115.05475	2.7
117.07009	17.4
119.08585	30.4
121.06489	6.0
121.10129	23.6
123.08070	4.4
123.11710	5.3
125.09609	20.7
128.06226	2.9
129.07024	7.5
131.08554	23.9
131.09386	2.7
133.06468	2.3
133.10120	32.4
133.11052	2.2
134.07626	1.9
135.08061	3.9
135.11691	19.1
137.09636	3.7
141.07007	4.1
143.08524	12.3
145.06476	4.2
145.10129	18.4
147.08064	2.0
147.11687	15.7
149.09641	4.3
149.13246	8.6
151.11227	8.4
153.12773	3.0
155.08585	5.5
157.10144	8.9
159.08029	2.7
159.11690	15.2
161.09650	11.5
161.13225	8.6
163.11206	4.0
163.14833	4.3
167.08554	2.7
169.10193	7.1
171.08043	5.3
171.11656	9.7
173.09703	2.0
173.13269	10.4
175.14859	3.7
179.10710	6.3
181.10143	3.4
183.11679	5.2
185.09821	2.0
185.13264	6.1
187.11148	2.2
187.14828	5.3
189.09155	6.8
189.11102	8.6
191.10806	2.1
195.11700	3.7
197.11635	2.0
197.13293	5.1
199.14897	3.4
201.12830	3.0
201.16393	2.7
207.10164	2.7
211.14990	2.5
213.16415	3.3
217.19518	3.2
223.14824	2.3
225.11218	9.8
227.12799	7.5
235.20486	4.0
241.19585	2.4
249.16309	2.1
253.19337	2.2
253.21706	7.3
259.20523	3.6
261.22189	7.6
271.22781	3.2
277.21707	4.0
281.13855	10.7
283.15784	2.0
287.23715	6.4
289.21924	2.4
297.22253	2.8
299.20114	3.3
313.21765	4.8
315.23239	15.7
317.24747	3.5
333.24390	3.1
345.24484	2.1
403.29688	2.4
421.31122	5.7
431.28909	4.2
439.31992	7.5
449.30334	11.9
457.33176	4.4
467.31622	24.7
485.32651	13.5
508.81018	2.2
513.35785	21.9
515.37604	5.3
523.34131	6.0
531.36835	18.1
541.35303	50.6
559.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.4
53.03936	5.4
55.01873	6.0
55.05261	2.5
55.05508	39.2
57.03428	4.4
57.07061	4.6
59.05002	3.4
65.03934	2.1
67.05500	59.3
69.03424	3.9
69.06718	1.8
69.07063	18.2
70.86785	3.1
70.87155	1.6
71.04986	2.7
71.08616	1.3
79.05487	54.7
81.03417	4.5
81.06573	2.8
81.07052	54.3
83.04955	6.5
83.08611	19.3
85.06556	2.9
91.05479	48.4
93.07038	52.5
95.04977	9.7
95.08603	40.5
97.02883	2.9
97.06518	4.2
97.10168	20.4
99.00808	8.6
99.08079	3.0
103.05439	1.9
105.07024	39.9
107.04950	6.1
107.08589	38.5
109.02857	7.7
109.06487	5.1
109.10146	18.0
111.04462	4.1
111.08080	4.6
115.05504	2.0
117.07024	15.5
119.08573	27.4
121.06492	6.5
121.10134	20.8
123.04385	1.7
123.08078	4.0
123.11695	6.8
125.09623	15.3
128.06213	4.2
129.06961	9.5
131.08566	22.3
133.06477	3.0
133.10126	40.9
135.08058	5.1
135.11688	17.8
137.09610	3.1
141.06993	2.8
142.07751	1.5
143.08565	14.7
145.06519	2.4
145.10117	17.5
147.08043	3.7
147.11671	13.3
149.09592	6.5
149.13226	8.2
151.11197	6.3
153.09131	1.7
155.08574	5.8
157.10143	10.7
159.08061	3.4
159.11665	13.9
161.09613	14.0
161.13261	5.7
163.11153	3.1
163.14836	2.9
167.08667	2.3
169.08876	1.2
169.10060	6.1
171.08070	4.4
171.11655	7.8
173.09659	3.3
173.11987	1.6
173.13220	7.8
175.11176	2.5
175.14838	2.6
176.20146	1.4
179.10678	7.8
181.10043	2.5
181.12306	3.0
183.11736	5.8
185.09673	2.8
185.13248	5.5
187.11220	2.1
187.14810	5.9
189.09160	7.7
189.11160	8.5
189.12659	1.6
189.16403	1.5
191.10667	2.0
195.11720	3.4
197.11592	2.1
197.13278	3.0
199.11206	2.3
199.14821	3.6
201.16415	3.1
203.14517	1.2
207.10147	3.2
209.13388	1.7
211.14842	3.5
213.12762	1.3
213.16400	1.6
215.17992	1.7
221.13268	1.7
225.11075	8.4
227.12816	5.6
241.19659	2.3
243.17357	1.5
243.21115	2.6
245.19170	1.3
259.20636	4.6
261.22113	11.9
271.20551	1.5
277.21710	5.3
281.13824	8.3
287.23785	5.0
289.21759	1.8
295.20374	1.5
297.22046	3.3
299.20096	2.9
313.21576	3.9
315.23169	16.5
317.24759	2.1
333.24258	1.9
403.30014	2.7
421.30945	8.3
423.32715	2.4
430.15170	1.4
431.29425	3.4
439.32330	7.4
449.30392	11.9
457.33139	4.5
467.31577	26.0
485.32562	17.8
495.34656	3.6
503.33575	2.1
513.35669	21.6
515.37134	3.5
523.34021	4.0
531.36877	17.9
541.26892	2.7
541.35205	52.5
559.36267	100.0
565.59552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.7
53.03943	4.3
55.01871	6.9
55.05260	2.7
55.05512	40.6
57.03433	4.7
57.07072	4.8
59.05006	4.1
65.03921	4.2
65.16250	1.7
66.96570	1.6
67.05504	71.0
69.03419	3.9
69.07075	22.4
69.42972	2.1
70.80374	5.0
71.04990	3.2
75.48919	1.7
79.05056	3.5
79.05495	59.7
81.03418	4.5
81.07056	69.1
83.04980	6.9
83.08629	20.9
85.06544	3.1
91.05481	53.9
93.07043	58.4
93.07628	3.6
95.04961	13.4
95.08611	45.7
97.02920	3.7
97.06538	6.2
97.10172	28.6
99.00818	7.6
103.05461	2.0
104.14847	1.7
105.07031	46.4
107.04963	8.2
107.08582	37.6
109.02890	10.6
109.06525	5.1
109.10149	22.2
111.04473	2.4
111.08089	6.0
115.05475	2.7
117.07009	17.4
119.08585	30.4
121.06489	6.0
121.10129	23.6
123.08070	4.4
123.11710	5.3
125.09609	20.7
128.06226	2.9
129.07024	7.5
131.08554	23.9
131.09386	2.7
133.06468	2.3
133.10120	32.4
133.11052	2.2
134.07626	1.9
135.08061	3.9
135.11691	19.1
137.09636	3.7
141.07007	4.1
143.08524	12.3
145.06476	4.2
145.10129	18.4
147.08064	2.0
147.11687	15.7
149.09641	4.3
149.13246	8.6
151.11227	8.4
153.12773	3.0
155.08585	5.5
157.10144	8.9
159.08029	2.7
159.11690	15.2
161.09650	11.5
161.13225	8.6
163.11206	4.0
163.14833	4.3
167.08554	2.7
169.10193	7.1
171.08043	5.3
171.11656	9.7
173.09703	2.0
173.13269	10.4
175.14859	3.7
179.10710	6.3
181.10143	3.4
183.11679	5.2
185.09821	2.0
185.13264	6.1
187.11148	2.2
187.14828	5.3
189.09155	6.8
189.11102	8.6
191.10806	2.1
195.11700	3.7
197.11635	2.0
197.13293	5.1
199.14897	3.4
201.12830	3.0
201.16393	2.7
207.10164	2.7
211.14990	2.5
213.16415	3.3
217.19518	3.2
223.14824	2.3
225.11218	9.8
227.12799	7.5
235.20486	4.0
241.19585	2.4
249.16309	2.1
253.19337	2.2
253.21706	7.3
259.20523	3.6
261.22189	7.6
271.22781	3.2
277.21707	4.0
281.13855	10.7
283.15784	2.0
287.23715	6.4
289.21924	2.4
297.22253	2.8
299.20114	3.3
313.21765	4.8
315.23239	15.7
317.24747	3.5
333.24390	3.1
345.24484	2.1
403.29688	2.4
421.31122	5.7
431.28909	4.2
439.31992	7.5
449.30334	11.9
457.33176	4.4
467.31622	24.7
485.32651	13.5
508.81018	2.2
513.35785	21.9
515.37604	5.3
523.34131	6.0
531.36835	18.1
541.35303	50.6
559.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.4
55.01860	11.6
55.05510	27.3
56.96567	6.3
57.03432	7.4
57.07062	18.3
58.59389	5.1
62.19628	6.1
67.05493	39.9
69.03436	40.7
69.07070	71.6
71.04984	6.6
71.08616	8.0
71.37793	14.5
73.02911	9.7
75.52097	5.6
79.05496	18.1
81.03403	24.8
81.07053	100.0
83.05001	9.0
83.08597	30.5
85.02911	70.6
85.06528	10.6
87.00834	29.5
87.04430	6.6
91.03934	5.9
91.05466	13.0
93.07050	29.1
95.04969	11.9
95.08602	99.8
97.02895	37.2
97.06544	14.6
97.10155	24.3
98.97573	6.1
99.04427	9.9
99.08071	18.6
105.01255	5.7
105.01877	25.0
105.07026	19.6
107.04948	51.8
107.08589	34.1
109.02916	29.8
109.10159	59.9
110.03178	6.3
110.28200	5.7
111.04447	6.7
111.08038	10.2
111.11723	22.8
113.09646	6.1
116.98602	7.5
117.07009	12.6
119.08575	15.1
120.08142	15.9
121.10134	23.4
123.08054	6.2
123.11700	46.5
127.03918	42.6
131.08568	10.2
133.10130	14.1
135.07916	5.9
135.11684	16.7
137.13234	21.1
143.08582	10.5
145.04941	16.8
145.10071	17.9
147.11739	11.1
149.13261	22.1
151.14806	17.7
157.10104	9.2
159.02863	10.4
159.11682	7.2
163.14827	10.0
165.16409	16.4
171.11655	9.2
173.13235	7.1
177.00714	7.6
177.16443	11.1
181.10190	8.6
189.04002	7.2
193.19482	5.8
199.14861	9.1
231.05046	6.9
245.11778	9.9
257.18951	7.6
261.44556	5.8
267.26843	7.7
275.27188	14.3
281.28268	8.2
293.28467	20.9
311.29495	29.0
384.51712	7.2
401.30484	8.3
417.17728	7.3
421.39716	6.4
460.87482	6.3
507.53720	6.2
559.19470	8.7
559.28113	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	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01861	8.8
55.05514	27.8
56.96551	6.2
57.03448	5.5
57.07064	13.6
61.02931	4.9
67.05502	41.8
69.03431	22.9
69.07063	54.3
70.12708	9.0
70.13114	8.7
71.04968	4.5
71.08627	4.5
73.76349	3.2
79.05490	14.9
81.03419	24.7
81.07053	93.6
83.04989	6.6
83.08627	28.0
85.02898	53.2
85.06535	17.5
85.10184	4.1
87.00819	26.0
91.05483	10.0
93.07041	22.2
95.04980	6.8
95.08602	100.0
97.02892	25.5
97.06533	9.2
97.10172	24.7
98.21326	4.0
98.98471	5.1
99.04490	5.2
99.08083	9.5
105.01861	17.4
105.07027	11.4
107.04967	9.8
107.08588	15.8
109.02875	10.2
109.06516	8.2
109.10150	57.9
111.04379	6.9
111.08080	6.6
111.11699	10.7
117.07061	5.2
119.08575	10.0
121.10144	14.6
123.04467	3.9
123.08076	4.6
123.11722	27.8
125.09631	4.4
125.13239	7.9
127.03902	27.0
129.07031	4.7
131.08585	7.1
133.10153	7.4
135.11703	15.0
137.13263	15.2
139.11133	3.5
145.04962	15.3
145.10172	5.9
147.08061	3.4
149.13254	8.7
151.14827	14.1
159.08081	4.7
161.77414	3.4
165.16389	3.7
173.13176	5.6
186.33846	3.3
210.14915	5.4
219.05177	4.0
229.19615	3.9
231.05020	5.7
237.22255	4.0
263.27405	6.5
275.27286	6.1
281.28403	14.4
293.28403	23.5
311.29419	16.1
383.29416	5.5
401.30548	5.6
417.79440	4.1
419.31500	6.0
497.30917	5.8
559.18585	6.2
559.28577	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	559.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01867	9.2
55.05507	22.3
57.03431	6.7
57.07069	16.0
61.02911	5.6
67.05501	30.5
68.99788	3.2
69.03426	29.4
69.07066	59.0
71.01334	1.6
71.05022	10.5
71.08636	8.3
71.77759	1.7
73.02918	5.0
78.21931	1.7
79.05492	14.7
81.03422	24.5
81.07055	100.0
83.08617	34.7
84.87576	1.9
85.02905	66.2
85.06551	13.1
85.10183	2.8
87.00823	30.4
91.05474	7.3
93.07034	17.5
95.04972	5.7
95.08604	99.6
97.02879	22.3
97.06540	4.7
97.10166	27.3
99.04465	9.7
99.08083	14.4
105.01856	22.2
105.07021	7.9
107.04960	2.4
107.08580	20.7
109.02887	19.1
109.10157	68.0
111.08078	6.9
111.11716	24.1
113.09660	3.5
115.03955	4.7
117.07029	3.1
119.08598	4.8
121.10101	9.9
123.08093	1.9
123.11704	35.5
125.13276	13.9
127.03906	33.5
127.11198	8.8
129.07004	3.2
131.08543	4.3
133.10136	3.3
135.11710	13.0
137.13235	25.5
139.14813	3.3
143.08571	3.3
145.04942	15.2
145.10120	5.9
147.11681	2.7
149.09624	2.3
149.13258	18.6
151.14822	14.5
153.12538	1.9
157.10120	2.9
159.02913	10.4
163.14803	10.7
165.16360	9.4
167.14371	4.7
169.15974	2.6
171.11649	4.8
173.13287	3.0
177.16368	6.5
179.17966	5.4
191.17923	5.8
193.19542	5.8
197.19084	2.9
199.11197	2.4
201.12556	2.3
205.19557	5.9
207.21111	4.2
211.20581	2.6
217.12160	2.3
219.21115	4.6
223.20593	2.4
231.04991	6.6
240.29266	2.0
263.27380	10.0
275.27325	15.3
281.28384	21.2
293.28409	24.2
311.29453	15.8
383.29349	3.9
401.30426	8.7
487.30551	3.0
490.88159	2.0
559.21271	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	559.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.9
55.05503	27.0
56.96567	21.9
57.07084	9.2
67.05498	32.2
67.76474	8.3
69.03423	57.2
69.07071	35.8
71.60177	17.9
74.33036	9.2
77.98758	8.7
79.05489	33.6
79.65519	8.4
81.03410	46.1
81.07052	71.5
83.08627	23.4
85.02901	88.4
85.06528	12.9
86.09716	21.0
87.00833	28.1
87.33463	8.4
91.05483	29.8
93.07032	22.5
95.04964	13.0
95.08597	63.5
97.02869	34.2
97.06520	30.7
97.10181	20.3
105.01868	44.0
105.07024	28.7
107.04948	100.0
107.08559	23.5
109.02884	19.0
109.10163	38.6
111.08073	14.3
115.22111	9.1
116.98576	14.2
119.08572	22.9
121.10159	18.1
123.11708	26.4
125.09557	10.4
127.03922	57.4
131.08565	13.2
133.10135	16.3
135.11653	15.9
137.13274	15.5
139.60300	10.4
143.08560	19.0
145.04997	25.0
145.10066	17.8
147.04399	29.4
163.03920	11.7
166.07545	10.5
171.11713	26.2
172.10437	10.3
173.13310	16.9
181.10097	13.6
199.11168	14.8
275.20087	18.3
291.99854	10.8
292.85715	10.3
293.21133	15.2
293.28424	16.8
559.36194	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	559.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01876	7.4
55.05262	1.3
55.05510	21.7
56.96560	1.2
57.03441	5.8
57.07072	15.0
61.02926	5.9
65.03929	1.6
67.05499	26.9
68.99785	3.7
69.03069	2.0
69.03426	29.8
69.07065	63.8
71.04980	7.2
71.08630	9.7
71.60134	1.4
73.02930	6.4
79.05491	16.0
81.03414	26.5
81.07055	100.0
83.01381	1.6
83.04974	4.7
83.08215	0.7
83.08613	34.8
85.02902	68.8
85.06541	12.2
85.10161	2.3
87.00832	27.7
87.04465	1.5
91.03934	1.6
91.05473	7.1
93.07041	19.2
95.04961	4.3
95.08603	90.3
97.02888	27.8
97.06521	5.5
97.10163	24.6
99.04459	9.5
99.08087	11.0
105.01859	21.7
105.07027	8.7
107.08591	19.4
108.90536	1.0
109.02877	14.8
109.05826	1.1
109.06500	4.4
109.10152	64.5
111.04443	2.7
111.08073	11.2
111.11719	24.1
113.09624	2.5
114.34050	1.1
115.03912	3.9
117.01833	2.2
117.07007	1.6
119.08581	8.1
121.06486	1.1
121.10140	12.6
123.04413	1.2
123.08107	1.8
123.11702	37.9
125.09621	3.2
125.13252	11.6
127.03913	32.3
127.11195	7.1
129.01822	2.6
131.08572	4.4
133.10147	5.5
135.08040	1.3
135.11679	13.3
137.13249	25.6
139.14822	2.1
141.12717	1.6
141.51132	1.1
142.07698	1.1
143.08537	2.4
143.14336	2.1
145.02855	1.3
145.04950	10.0
145.10139	4.7
147.02950	1.7
147.07951	1.3
147.11687	4.1
149.13255	16.6
151.07587	1.9
151.14809	14.0
153.12776	1.4
153.16409	1.5
157.10150	2.3
159.02885	9.1
159.11703	2.5
161.13246	2.9
163.11147	1.5
163.14810	11.3
165.09090	3.3
165.16364	6.4
167.14307	3.1
168.57549	1.3
169.15858	1.5
171.11703	1.0
173.09566	1.5
173.13275	1.8
175.07497	1.1
175.11180	1.3
175.14804	1.2
177.05453	1.5
177.16335	5.1
179.17920	8.6
183.11694	1.3
185.13278	1.3
187.11221	1.7
189.03871	1.9
189.16367	1.3
191.17926	7.1
193.19527	4.9
205.19551	3.6
207.21150	5.7
209.18971	1.4
211.20625	4.0
217.19542	1.3
219.05009	1.6
219.21098	4.5
223.20546	1.3
231.04962	5.9
235.13509	1.2
237.22078	1.8
249.06255	1.3
263.27261	9.5
275.27386	10.6
281.28372	22.9
291.26718	1.7
293.28372	25.4
309.27783	1.8
311.29453	10.9
317.28552	1.5
335.52203	1.1
359.29395	2.2
383.29489	4.6
401.30603	6.3
458.19479	1.4
487.30557	3.2
488.54681	1.3
505.31470	2.4
559.28278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65086	0.3
56.96554	0.4
69.03400	0.3
69.13074	0.3
70.06590	0.8
71.33910	0.7
72.08141	0.3
85.02900	0.5
86.09705	0.4
94.59837	0.3
97.02873	0.5
98.97610	0.3
127.03889	0.3
136.06215	0.5
185.04271	0.5
189.05258	1.8
192.58757	0.3
201.03848	0.5
245.07959	0.4
261.42917	0.3
283.07355	0.3
311.11328	0.6
347.09570	0.3
367.13617	0.9
381.11508	1.9
395.12961	0.6
396.13849	1.8
397.14679	17.6
559.19977	100.0
560.20148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31424	0.4
54.16270	0.3
60.06016	0.3
60.09335	0.3
64.61425	0.3
67.05518	0.4
69.03459	0.6
69.32948	0.3
70.06612	1.6
70.37435	1.5
72.08194	0.5
77.43936	0.3
79.05506	0.4
81.03426	0.5
81.07093	1.2
84.08159	0.5
85.02929	0.8
86.09708	2.7
91.05508	0.5
93.07098	1.0
95.04987	0.6
95.08649	0.6
97.02900	0.5
98.20926	0.4
105.07070	0.7
109.02927	0.6
109.10167	0.4
119.01970	1.1
119.08625	0.4
119.37910	0.4
121.06604	0.4
121.10166	0.3
131.04970	0.4
133.10201	1.0
137.03093	0.5
137.06035	0.5
145.04985	0.4
155.05591	0.7
171.05127	0.5
173.06691	1.4
185.06670	0.5
187.08173	0.8
191.09070	0.4
195.08693	0.6
197.10277	0.4
209.10237	10.2
210.10529	0.5
211.08246	1.1
213.09854	0.6
223.42253	0.4
227.11310	9.6
241.09297	1.9
249.14742	3.2
249.16948	0.5
250.12967	0.7
251.11174	10.8
252.11647	0.5
252.54662	0.4
269.12384	6.3
271.04221	0.8
275.25555	0.4
279.10083	0.4
287.13437	0.7
292.14026	0.5
293.13669	1.0
301.75253	0.3
311.14679	100.0
312.15079	1.8
323.13068	0.4
329.14511	1.7
448.66513	0.4
473.20023	0.7
515.21118	6.8
559.19977	53.8
560.20245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46956	1.8
53.94726	1.9
54.49930	1.7
65.03928	2.5
69.03411	6.0
69.07114	2.8
70.06590	20.9
71.36217	4.1
72.08146	7.3
73.09357	2.2
74.06065	3.6
79.05466	3.8
81.03391	2.9
84.04478	3.1
84.08125	5.8
85.02905	12.2
85.93458	2.0
86.05997	2.1
86.09729	11.7
91.05478	24.7
93.07049	2.3
95.04937	5.8
97.02871	3.7
103.05466	13.3
105.06989	13.5
107.04958	28.4
109.06489	2.9
113.09648	5.3
115.05431	3.1
116.07091	2.1
116.98621	2.1
119.04930	16.0
121.06493	10.0
122.03634	6.1
123.08051	3.0
123.12314	2.2
128.98651	2.9
129.06972	7.3
129.10233	3.2
130.04190	2.6
131.04935	21.0
131.08571	3.3
133.02863	5.9
133.06459	7.6
135.08037	8.4
136.07521	2.7
137.05978	90.6
140.49376	2.0
146.07239	3.3
147.04390	14.3
148.05133	3.7
149.05992	15.1
150.06679	3.1
151.07538	55.5
157.06465	5.3
161.05980	85.3
161.09615	18.2
162.06737	10.1
163.07536	57.7
163.08521	1.3
165.06990	3.0
167.08574	3.7
174.06795	3.8
175.07469	10.7
177.09065	5.2
179.07047	3.3
181.08609	10.5
189.09108	64.0
191.06934	3.1
195.08049	9.8
195.09904	2.0
197.05940	2.5
207.10161	100.0
209.09734	2.1
217.81886	1.9
219.10109	9.1
221.05959	3.7
223.07381	4.3
225.09148	3.0
227.10648	12.6
233.09665	2.3
249.09081	3.7
253.08554	6.7
253.12303	7.6
255.10251	12.5
265.08710	3.6
269.08047	2.8
285.11218	9.6
287.12756	34.3
299.12695	3.6
305.28128	2.6
311.05362	2.3
311.12750	16.1
313.14334	39.4
325.14160	5.1
331.11453	4.6
331.15384	80.9
343.15469	6.4
558.20898	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	557.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01867	4.1
55.05511	19.7
57.03431	6.6
57.07081	4.9
59.90948	2.3
65.03930	2.0
67.05506	38.2
69.07070	16.0
69.47781	15.7
69.48199	4.0
71.05005	4.1
79.05490	27.1
81.07054	37.9
83.04979	4.2
83.08625	8.7
85.06549	4.1
91.05479	37.5
93.07043	35.2
95.04976	7.2
95.08612	27.2
97.06554	3.1
97.10184	5.8
104.10770	4.3
105.07024	32.4
105.07668	2.7
107.04973	4.6
107.08591	18.6
109.06455	2.6
109.10175	13.3
115.05479	3.3
117.07014	14.2
119.08589	24.4
121.10144	9.2
123.08067	5.5
128.06239	4.0
129.07001	22.1
131.08588	27.4
132.12346	2.0
133.10124	17.2
135.08080	2.4
135.11714	8.5
139.10791	2.0
141.07001	7.7
142.07790	3.3
143.08548	26.4
145.06465	2.5
145.10130	26.9
147.11673	20.2
149.09741	2.6
149.13335	3.2
154.07788	2.9
155.08548	19.4
156.09285	3.4
157.10129	20.3
158.37361	2.2
159.11722	18.2
161.09654	2.4
161.13258	11.4
163.11195	2.6
165.07010	4.1
167.08609	7.3
168.09341	3.5
169.10164	18.6
171.08105	2.6
171.11678	23.1
173.13274	13.4
175.14795	5.0
177.12769	2.2
181.10098	12.8
182.11072	2.3
183.11694	19.0
185.13249	10.2
187.14912	6.6
189.16208	2.2
193.10089	2.2
195.11684	8.2
195.13399	2.1
197.13295	13.5
199.14821	9.1
201.16547	3.3
207.11739	4.0
207.13812	3.5
209.13252	10.2
211.14880	9.0
213.12628	2.4
213.16356	7.0
216.29877	2.1
219.11761	2.3
221.13309	3.9
223.14850	8.0
233.13274	2.9
235.14891	2.4
239.17955	4.4
241.19563	3.9
247.16962	3.5
249.16461	2.6
257.19095	3.0
259.20547	14.0
267.85806	2.4
279.15665	3.3
281.17557	6.9
283.20306	2.5
307.20499	2.3
313.21634	2.7
313.27521	3.8
315.23114	2.8
323.23666	5.2
333.24091	3.9
335.23740	3.5
365.24304	2.3
419.32965	4.4
429.31464	8.7
437.34198	13.5
447.32666	25.1
465.33713	34.9
483.34836	19.7
501.35376	5.1
521.35901	11.7
529.38947	6.8
539.37311	100.0
557.29541	10.9
557.38196	51.5
557.52850	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86776	5.4
52.42730	3.8
53.03941	8.3
55.01867	10.6
55.05498	16.8
55.69274	4.3
57.03429	8.6
57.07071	8.8
62.91536	4.1
63.99646	4.4
67.05505	30.6
69.03423	37.5
69.07064	31.6
71.04977	18.8
73.02907	4.7
76.43734	4.3
78.42912	4.3
79.05492	25.4
81.03413	28.1
81.07057	100.0
83.04971	7.0
83.08611	17.8
85.02897	63.2
85.06527	10.1
87.00807	23.6
91.05481	12.3
92.63888	4.8
93.07037	29.2
95.04942	11.4
95.08598	79.4
97.02876	20.0
97.10149	9.0
98.21528	10.1
99.04430	11.4
99.08065	8.2
105.01852	13.4
105.07011	18.8
107.04970	9.2
107.08598	35.0
109.02864	21.9
109.06499	8.0
109.10140	52.4
111.08064	6.0
111.11694	4.8
119.08562	15.1
121.10156	23.7
123.04406	6.9
123.11688	28.0
127.03905	36.7
127.11159	9.6
131.08527	8.2
133.10129	14.7
135.08096	7.1
135.11699	26.7
137.13235	13.3
143.08569	8.0
145.04959	13.0
145.76169	4.7
147.11688	8.5
149.13235	16.5
151.14859	8.2
153.12686	6.6
157.10126	10.5
159.02892	8.5
160.39133	4.9
161.13287	5.7
163.14787	12.3
177.16339	9.2
187.21838	4.9
191.17950	5.0
193.19511	5.3
205.19540	21.3
224.66058	4.4
229.69955	5.6
231.05086	6.5
235.20747	4.7
273.25867	10.9
279.26773	36.6
291.26779	19.5
307.26605	5.1
309.27927	29.0
333.28085	5.8
557.19635	31.9
557.27026	5.6
561.54498	4.5
575.19928	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.299
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.05504	11.2
57.03426	5.9
57.06819	4.0
57.07076	59.0
59.04985	3.1
67.05492	18.2
69.07055	11.9
71.08631	42.3
79.05493	2.8
81.03365	2.7
81.07065	24.8
83.04969	2.4
83.08620	17.3
85.10181	25.3
89.06012	2.6
91.05464	5.5
93.07029	6.9
95.08611	42.4
97.10152	10.8
102.49822	2.4
105.07043	2.8
107.08560	3.1
109.02881	3.3
109.10160	16.0
111.11731	4.6
123.11701	9.6
126.57137	2.5
137.13164	3.8
145.81337	2.5
221.22617	3.1
239.23689	44.5
257.24689	5.0
283.26425	3.3
313.27386	100.0
505.23700	2.9
556.52972	3.4
557.38464	7.5
557.53253	5.9
583.13715	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01872	17.2
55.05505	9.3
56.24993	1.6
57.03431	10.1
57.07058	5.0
59.32403	1.4
61.02914	4.9
67.05505	20.5
68.99786	4.7
69.03426	55.1
69.07063	19.5
69.30164	12.7
70.06579	2.9
71.01364	1.9
71.04984	8.0
71.08626	1.9
73.02928	10.4
79.05483	15.0
79.26542	1.5
81.03416	54.2
81.07060	57.8
83.04974	3.2
83.08614	6.3
85.02903	100.0
85.06539	36.3
86.52361	1.6
87.00825	32.8
87.04453	3.0
91.03946	2.9
91.05462	6.8
93.04226	1.7
93.07049	22.5
95.04977	11.7
95.08604	45.8
97.02897	30.3
97.06517	7.6
97.10175	5.5
98.87572	1.5
99.04456	18.9
99.08093	10.7
101.02378	2.3
103.03960	3.3
105.01868	26.2
105.07042	8.1
107.04919	4.4
107.08589	21.7
109.02876	50.0
109.06513	9.2
109.10152	22.0
111.04458	1.7
111.08081	62.7
111.11723	3.7
115.03913	2.0
117.01862	3.8
117.06976	2.7
119.08547	8.0
120.08172	2.0
121.06500	1.4
121.10152	13.3
123.08058	2.4
123.11722	18.1
125.09618	12.4
127.03915	78.1
129.01840	5.8
131.08540	2.6
133.10100	4.9
135.08064	2.7
135.11687	9.5
137.09616	2.1
137.13246	6.1
139.07573	2.0
139.11169	5.8
141.28543	1.5
145.04977	19.6
145.10097	5.9
147.02864	5.3
147.11703	4.6
149.09557	2.0
149.13275	17.6
151.11130	2.3
159.02869	22.5
159.11694	5.3
161.09679	2.4
161.13266	4.3
163.14827	6.8
165.12733	4.5
167.14296	4.7
171.11708	2.7
173.13376	2.5
175.14828	5.2
177.16406	3.3
179.14334	2.2
181.15785	2.1
189.03941	4.7
189.16412	2.7
191.17909	2.8
191.20619	1.8
197.09846	1.8
203.18048	1.8
213.03886	3.0
231.05013	14.8
273.18549	2.3
273.25854	2.3
291.26801	10.5
301.06750	1.6
307.26404	1.6
309.27899	54.1
321.27884	2.8
321.32172	1.7
333.27615	3.5
346.26224	1.6
351.28900	3.4
359.13239	1.7
399.28931	5.4
417.29794	3.4
513.26837	2.0
521.31372	2.1
557.25250	2.6
557.33917	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	557.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05507	3.6
57.07068	4.7
60.57978	1.7
67.05499	5.3
69.03422	7.9
69.07075	4.5
70.76159	4.4
71.04977	2.1
74.57584	1.6
79.05488	7.6
81.03411	8.4
81.07049	6.1
83.08600	3.3
85.02909	9.0
85.06541	3.0
85.71204	1.7
87.00834	4.6
88.83488	1.9
91.05484	2.1
92.08059	1.5
93.07034	5.2
95.08595	4.9
96.58539	1.5
97.02888	2.5
97.06556	2.6
99.04472	2.5
105.01848	3.3
105.07027	3.3
107.08595	2.7
109.02862	6.9
109.06517	6.9
118.12937	1.6
119.08587	4.7
121.10172	3.4
123.08035	1.9
123.11691	2.8
127.03931	7.0
131.08559	2.3
133.10130	3.0
135.08012	2.9
136.15916	1.7
137.05978	12.8
139.07579	1.7
143.08543	2.2
145.05002	4.0
145.10020	1.9
151.07501	2.5
152.08345	3.1
157.10168	2.1
159.02876	4.6
165.09108	3.2
173.09560	2.3
177.12746	2.2
179.10738	2.5
191.33403	1.5
194.13004	1.9
263.20139	1.8
267.19525	2.0
281.21100	11.9
290.33121	1.9
291.19553	8.6
309.20578	100.0
372.28137	3.6
513.26666	7.4
557.25806	11.7
557.33875	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.5
70.06589	1.0
70.39842	1.3
72.08154	0.6
81.33910	0.5
84.96367	0.5
85.02931	0.8
105.07026	8.4
115.05452	1.5
133.06485	7.8
143.06032	0.6
161.04608	0.9
161.05974	16.6
184.04948	5.5
185.04292	0.9
185.05792	2.3
190.28082	0.7
193.08578	3.4
201.84444	0.5
203.05281	1.5
215.06769	11.2
219.01617	0.8
379.13669	2.1
394.12338	2.0
395.13028	4.3
470.93579	0.5
557.18390	100.0
558.18719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03939	2.2
55.01864	1.1
55.05502	1.2
56.96562	1.3
57.03429	2.4
64.30762	0.6
65.97127	0.5
67.05494	2.0
67.28863	0.5
69.03431	46.7
70.06593	5.7
71.01349	0.5
71.04979	1.1
71.35780	0.6
72.08148	1.6
73.02915	0.8
77.03914	0.7
77.72627	0.6
79.05492	2.5
81.03425	7.1
81.07047	1.9
83.04987	0.9
84.04500	0.7
84.08141	1.5
84.96036	1.0
85.02911	8.7
86.09698	2.0
87.04460	0.7
88.03990	3.1
91.05475	6.4
93.07050	3.3
94.35730	0.5
95.04965	2.7
95.08598	1.6
97.02894	8.7
97.06531	0.6
97.56985	0.5
98.97631	0.8
99.04453	3.4
101.02356	0.6
103.03970	0.8
105.07066	1.2
106.07384	0.5
107.04956	100.0
107.08591	2.5
109.02880	4.6
109.06522	0.6
109.10208	0.6
110.07126	0.5
115.03900	0.9
115.05458	0.6
117.07018	1.1
119.04943	5.6
119.08598	0.7
119.27279	0.5
120.08100	1.3
121.06483	3.1
123.04488	1.1
127.03925	11.9
129.07014	0.7
129.10223	0.9
131.04935	8.4
133.06479	1.5
135.04488	0.6
136.07541	1.1
137.05962	7.1
141.07004	2.3
142.05122	0.5
143.08560	0.6
144.05688	6.6
145.04977	2.1
145.06487	5.2
145.10219	0.5
147.04414	18.1
147.07950	0.7
147.11633	0.5
149.05980	2.2
149.13257	0.7
151.03909	4.4
153.05482	2.4
157.06508	2.3
159.07996	1.3
161.06044	1.5
163.03961	0.8
163.07565	0.8
165.05498	5.8
169.05196	0.7
169.06454	3.3
171.04475	1.6
171.08011	0.7
173.05975	8.8
179.03418	2.4
185.06059	3.0
187.07559	4.9
187.10880	0.7
189.05508	2.5
193.05005	2.5
197.05977	9.5
199.07626	1.0
203.07054	5.2
204.85635	0.6
215.07042	24.1
218.85632	0.6
219.01796	0.7
219.06616	1.8
230.54736	0.5
233.08032	2.6
237.02834	0.7
237.07538	6.3
243.06557	3.7
245.03404	1.2
249.05124	0.6
249.07527	1.3
251.02313	1.0
253.07076	0.6
253.59705	0.5
261.07574	12.7
269.03430	1.2
279.08600	3.5
303.08737	1.0
319.08157	1.5
321.11227	0.9
323.09027	0.6
325.07681	1.1
337.09302	0.8
348.82596	0.6
363.10687	0.7
367.11761	1.5
385.06042	1.2
387.10654	3.5
394.22226	0.8
395.22607	2.4
405.11819	4.0
423.13156	0.8
443.50766	0.6
467.17697	0.6
539.15924	0.7
557.16718	1.9
557.28662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49909	4.4
53.03930	6.3
55.05497	16.8
57.03442	4.5
67.05513	37.0
69.03429	23.3
69.07077	17.4
69.97907	23.5
71.04995	8.3
79.05485	25.7
81.03426	41.0
81.07053	72.7
83.04994	12.8
83.08623	12.3
85.02902	10.9
85.06554	13.9
86.09671	4.5
86.65191	4.5
89.77290	4.1
91.05485	39.3
93.07054	30.3
95.08606	58.3
97.02903	17.6
97.06514	13.4
99.04448	10.0
105.07029	35.3
107.08602	17.4
109.02877	17.2
109.06543	6.4
109.10157	14.5
111.04452	5.3
117.06998	7.4
119.08573	51.2
121.06519	7.1
121.10131	15.9
123.08053	5.4
127.03914	32.5
131.08582	8.5
133.10117	19.0
135.04391	9.1
135.08037	8.5
135.11697	9.7
137.09604	5.6
137.13239	5.0
143.08537	6.3
145.02921	5.1
145.10094	7.8
151.07555	19.2
157.10095	5.5
159.11676	8.5
161.13251	42.2
163.03925	34.3
173.09790	5.2
173.11711	8.9
173.13176	6.2
179.14287	32.0
197.15302	7.7
207.13817	5.3
233.15399	8.2
234.85182	4.7
237.14871	11.4
255.16055	5.6
263.16470	8.5
266.87640	4.5
287.16428	17.0
305.17435	39.4
323.18542	100.0
341.19632	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63800	0.7
53.03933	1.4
55.01854	1.3
55.05510	8.9
57.03440	4.3
57.07068	0.8
58.09141	0.7
61.02917	3.5
61.44288	0.7
65.03958	0.8
67.05500	12.5
68.22088	0.6
69.03428	7.9
69.07067	10.3
71.04980	4.5
71.08733	0.8
71.09046	1.2
73.02915	1.6
79.05479	8.5
81.03409	2.6
81.07052	40.7
83.04961	2.7
83.08611	10.1
85.02903	31.2
85.03426	1.2
85.06537	6.2
87.04448	1.5
91.03938	1.2
91.05482	9.5
93.07037	10.4
95.04984	1.2
95.08603	51.3
97.02888	6.6
97.06532	11.0
97.10177	6.3
99.04418	1.7
99.08086	7.1
101.06000	1.2
105.07025	16.2
107.08597	6.2
109.02853	2.3
109.06516	2.0
109.10155	2.3
111.08089	2.2
113.09638	2.9
115.07512	1.6
117.83276	0.7
119.08573	25.1
121.10148	9.8
123.08070	5.1
123.11685	0.9
127.03901	6.6
127.07565	1.7
133.10130	17.6
134.42873	0.8
135.11690	13.8
137.09601	1.7
137.13252	13.5
141.09113	2.1
145.04947	11.6
149.13240	1.3
159.11684	0.9
161.13249	72.1
162.13588	1.0
163.06010	3.5
167.14212	0.9
179.14305	100.0
180.08710	1.3
180.14676	1.1
197.15364	61.4
198.15720	1.2
199.04300	0.7
215.16429	23.1
479.45352	0.8
500.12360	0.8
556.24402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.8
55.05510	15.7
57.03440	7.9
67.05496	18.0
69.03104	7.1
69.03426	36.6
69.07057	15.7
70.06597	9.3
70.18568	28.3
79.05499	22.5
81.03416	29.8
81.07053	54.0
83.04992	12.0
83.08614	9.9
85.02884	51.3
85.06553	11.7
86.09682	8.4
91.05485	19.2
93.07035	32.5
93.17967	6.2
95.04971	8.8
95.08604	53.1
97.02897	13.9
97.06548	8.3
99.04471	9.3
105.07011	38.1
107.04957	10.9
107.08613	17.4
109.02863	16.4
109.06568	8.6
109.10162	19.6
117.07005	9.9
119.08588	24.7
120.08100	7.2
121.10149	15.5
123.08118	11.9
127.03913	38.0
130.83627	7.5
131.08536	13.5
133.10129	16.0
135.08136	7.4
135.11670	18.0
140.06885	7.0
145.04947	9.7
145.10121	17.2
147.77219	7.3
151.07549	15.4
157.10083	11.1
159.11676	8.3
161.13287	23.6
179.14354	12.2
205.38199	6.9
237.14909	11.9
287.16434	9.3
305.17429	31.4
323.18439	100.0
341.19559	84.4
359.20673	7.7
459.21878	14.6
477.22760	13.8
509.26572	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	557.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77815	1.2
71.39985	0.4
82.78988	0.4
104.56903	0.4
134.19783	0.5
168.13628	0.5
214.45854	0.4
230.75951	0.4
316.25873	0.4
557.14795	100.0
558.15051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01859	1.0
55.05523	0.7
57.03424	1.9
63.49861	0.6
67.01855	2.0
67.05502	2.2
69.03431	8.6
69.07054	1.6
70.28710	0.7
70.74239	1.4
70.74600	1.3
71.01271	0.6
71.04988	1.7
77.03948	0.9
79.05480	2.9
81.03423	10.9
81.07047	3.8
83.04964	0.9
83.08611	0.7
85.02907	7.6
85.06536	2.7
86.09660	0.7
87.00814	1.2
91.05482	3.0
93.07040	2.7
95.04965	3.5
95.08604	3.5
97.02885	2.9
99.04459	3.3
103.03944	2.1
103.34888	0.6
105.01882	1.0
105.07038	1.6
107.04955	100.0
107.08591	1.9
109.02885	8.4
109.10143	2.9
111.04472	1.2
111.08059	1.4
115.05468	1.6
116.40972	0.7
117.07039	1.4
119.04968	1.6
119.08601	1.5
121.06514	3.0
121.10150	1.8
123.04421	0.8
123.11719	1.2
125.02386	1.2
127.03915	17.4
129.07024	1.3
131.04922	10.1
131.05820	0.9
131.08545	0.7
133.06503	1.1
133.10083	1.0
135.04407	1.4
135.08148	0.6
137.06017	2.1
141.07013	1.9
144.05707	6.4
145.04968	1.5
145.06496	5.7
145.10120	1.1
147.04401	3.5
149.05972	4.4
149.13271	0.9
151.03900	3.3
157.06505	2.4
159.08063	1.4
163.14757	0.7
169.06429	3.1
171.04439	1.7
173.06000	12.1
177.05504	1.1
179.03485	1.1
183.08122	0.7
185.06020	2.4
187.07550	4.5
189.05469	6.6
193.04997	1.1
197.05992	8.4
199.07584	1.0
203.07010	1.5
212.92979	0.7
215.07034	18.6
217.04907	1.3
219.06557	1.4
229.08725	0.9
231.06589	1.9
233.08105	1.2
237.07582	4.6
239.07034	1.7
243.06548	2.9
252.42915	0.7
257.08224	2.0
261.07501	7.1
279.08917	0.8
281.08093	0.9
285.07498	1.3
291.19501	1.0
291.26889	1.3
303.08743	2.1
309.20862	0.8
309.27768	1.0
345.09714	0.9
363.10608	0.9
369.09903	2.2
387.10660	3.3
405.11966	1.2
539.15350	1.3
557.16577	7.3
557.26123	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01885	5.4
55.05508	20.6
57.03433	7.6
57.07062	4.3
64.49531	3.4
67.05500	40.4
69.03432	18.1
69.07059	23.7
69.19695	4.1
70.22755	3.3
71.04990	11.6
71.59996	5.7
73.02929	4.1
79.05494	33.3
81.03411	24.0
81.07054	86.7
81.72350	4.2
83.04973	9.3
83.08619	16.8
85.02908	11.0
85.06561	9.1
91.05473	30.0
93.07034	34.6
95.04953	7.8
95.08602	100.0
97.02901	12.4
97.06532	22.2
97.10170	6.3
99.04456	3.9
99.08106	9.3
105.07035	37.2
107.08585	16.7
109.02868	12.5
109.06528	5.1
109.10141	7.7
111.08088	8.0
117.06977	4.3
119.08575	41.6
121.06499	5.3
121.10138	14.5
123.08092	5.6
127.03902	25.6
131.08571	10.3
133.10135	24.3
135.08104	6.7
135.11671	18.4
137.09660	7.1
137.13313	8.7
143.08569	4.6
145.04962	4.7
145.10081	7.2
151.07545	9.1
159.11786	4.5
161.13260	68.3
173.11719	9.2
173.13159	5.4
179.14311	59.6
185.34947	4.4
197.15419	7.8
209.15373	4.0
237.14827	5.4
273.80365	4.2
287.16461	7.0
305.17584	16.0
323.18463	10.0
328.59109	3.8
351.18506	6.1
357.27991	7.1
375.29007	8.3
501.32007	6.0
519.33167	15.7
555.33148	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	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91539	0.3
69.47870	1.1
69.48289	2.4
76.03926	0.4
79.05478	0.5
86.20748	0.4
91.05473	0.7
93.07052	1.5
103.05466	5.8
107.04981	1.2
120.08106	100.0
121.08418	0.6
131.04900	2.6
148.37323	0.4
149.05975	2.6
166.08641	59.0
167.07056	2.9
167.08983	0.6
171.36333	0.4
181.08591	1.4
189.32664	0.4
211.09663	3.2
214.04155	0.4
265.22238	0.4
275.83557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	31.0
59.13358	10.5
59.55667	9.7
61.70423	9.8
61.88138	9.6
65.11553	9.4
67.05506	59.4
69.03418	24.0
69.07065	21.6
71.60771	18.2
74.75641	10.5
79.05488	49.7
81.03407	33.0
81.07057	85.0
83.04992	19.9
83.08630	17.0
85.02892	13.1
85.06557	17.9
87.68167	9.2
91.05476	55.8
93.07028	38.7
95.04970	10.3
95.08612	100.0
97.02884	24.5
97.06546	19.3
99.08044	10.0
103.18156	11.2
105.07034	38.4
107.08598	25.4
109.02856	18.4
109.06572	13.3
109.10145	16.2
119.08569	44.3
121.10149	21.6
131.08557	10.9
133.10129	36.4
135.11702	14.8
159.11636	14.1
161.13260	71.4
179.14291	58.7
225.37741	10.3
287.16501	13.1
322.25134	11.2
323.18311	15.3
537.50952	16.7
555.37030	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	555.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.05509	6.5
56.64738	2.0
63.65539	2.0
67.05508	10.1
69.03434	7.2
69.07056	4.4
70.06577	4.6
70.98682	3.5
71.05003	2.6
79.05504	11.8
81.03382	5.1
81.07055	16.4
83.08620	3.0
85.02886	9.7
85.06516	4.9
86.09705	2.3
87.00814	3.5
91.05460	10.0
93.07050	20.0
95.04994	2.9
95.08598	17.6
97.02885	7.6
99.04486	2.2
105.07037	16.0
107.04967	2.3
107.08598	16.6
109.02882	6.1
109.06535	5.6
109.10164	8.9
113.09655	6.3
117.07011	3.0
119.08569	14.4
120.08121	3.2
121.06510	11.8
121.10126	17.9
123.08067	16.3
123.11746	3.4
125.09644	4.1
127.03912	5.5
131.08597	6.2
133.06467	2.2
133.10147	13.6
133.66306	1.9
135.08055	100.0
135.11676	4.1
137.06023	5.3
137.09621	20.2
139.11191	4.0
142.07776	2.8
143.08519	2.4
145.06543	2.5
145.10104	9.8
147.08063	7.9
147.11687	4.4
149.09605	5.3
151.03957	2.4
151.07529	6.7
157.10197	4.6
159.08046	3.3
159.11691	17.9
161.09639	9.1
161.13260	4.1
163.07524	3.0
169.10097	4.7
171.11632	4.3
173.09592	6.9
173.13275	10.9
175.11229	6.4
175.14822	8.7
179.06929	3.2
181.08582	8.9
183.11720	4.8
185.13277	4.3
187.11197	7.8
197.13370	2.9
199.14888	3.3
201.12788	6.0
201.16515	4.1
203.14381	3.2
213.12802	6.4
215.17984	5.4
225.16422	3.8
229.12245	2.5
229.15884	2.7
243.17471	11.2
245.19011	3.1
247.13206	5.6
253.15927	5.7
261.18393	10.5
271.16949	12.5
289.17963	59.4
290.18436	3.0
307.19046	39.8
519.21753	3.2
555.15198	2.6
555.24048	6.3
574.69031	2.3
582.52942	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00897	2.1
53.03711	2.6
56.96560	35.8
69.03426	4.0
69.42043	23.7
70.55885	2.2
78.47368	2.1
84.96034	10.2
85.02899	4.4
88.36028	2.2
98.97571	24.2
105.04949	2.3
110.97581	3.4
112.21177	2.3
116.98621	27.8
128.98593	10.7
134.99643	23.9
143.00165	7.9
146.99667	13.1
153.00743	3.2
158.99637	4.2
161.01212	11.9
165.00664	3.4
170.99707	5.4
171.08098	4.8
177.00716	9.6
179.02217	2.5
189.00679	12.4
192.75272	2.4
213.00629	3.1
219.01712	7.3
219.03578	3.1
227.03748	3.2
231.01704	4.5
233.04884	3.8
237.02448	22.5
237.04616	7.5
245.04803	7.1
255.05579	4.5
259.06732	2.8
261.04370	8.1
263.05911	11.0
263.28644	2.5
265.03741	5.8
267.05319	2.6
269.04901	12.8
271.06409	5.9
273.02399	2.5
275.05954	4.5
277.03735	4.2
279.05453	13.8
281.07031	3.8
287.05899	35.0
289.04227	4.0
289.07397	15.0
293.07019	3.5
303.01895	2.2
303.05347	5.5
305.06952	49.3
307.08627	7.1
315.05319	18.3
317.06985	5.9
319.04871	3.4
321.06317	5.4
323.08023	7.2
329.06918	47.6
329.10486	4.2
333.06601	20.3
335.08130	3.1
347.08035	11.9
349.05994	2.7
351.07419	8.6
357.06378	11.4
375.07510	16.2
389.09131	5.8
393.08426	6.6
402.83942	2.5
431.10266	3.9
447.28360	2.8
449.11111	19.1
467.12244	8.6
477.10733	7.0
478.29892	2.7
495.11716	100.0
513.12805	56.1
555.13751	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	554.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.05022	1.5
57.03413	0.5
58.06576	1.8
60.08162	16.2
67.05501	2.9
69.07065	2.1
69.09414	0.3
69.38464	0.4
71.07372	6.6
75.14806	0.3
75.86640	0.4
79.05474	1.4
81.07060	2.4
81.90678	0.3
86.09704	48.8
90.39304	0.4
91.05466	0.4
93.07048	1.4
95.08619	1.2
98.98455	3.5
104.10741	100.0
105.11101	0.5
107.08605	0.8
109.10146	0.8
121.10152	0.8
125.00001	30.5
125.87917	0.3
135.11668	0.4
142.62727	0.4
143.01074	0.6
147.04475	0.5
150.60394	0.4
161.96848	0.4
163.01512	0.6
184.07333	92.6
185.07716	0.9
258.11090	1.1
536.33484	8.0
554.34521	44.9
555.34625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0921
Annotation	3''-Desoxydicranolomin
Peak:m/z	Relative Intensity
51.91973	0.1
65.03925	1.0
67.01865	1.6
67.05496	0.2
68.99788	3.0
69.03423	0.5
69.44855	0.1
69.54805	0.1
70.06582	0.2
71.59876	0.2
81.03436	0.2
81.07063	0.2
83.86177	0.2
85.02888	0.3
86.09707	0.2
91.05485	0.9
95.04984	0.2
95.08620	0.2
105.03397	0.2
107.04969	0.2
107.08551	0.2
107.21032	0.2
109.10139	0.2
111.00764	0.5
111.04460	0.9
111.05099	0.1
119.04942	1.7
119.08607	0.1
121.02864	18.2
121.03902	0.7
127.03938	0.3
131.08577	0.2
145.02826	1.7
147.04396	0.7
153.01820	17.9
154.02176	0.2
155.04919	0.4
157.06488	0.2
159.04533	0.2
163.03926	1.1
171.02925	1.9
171.04311	0.3
173.05917	0.3
178.28046	0.2
183.04407	0.6
184.07274	0.2
185.05988	0.5
185.07669	0.2
187.03925	0.7
189.05428	0.2
195.02769	0.2
195.04378	0.2
197.00856	0.2
197.06039	0.2
199.03938	0.4
201.05473	0.4
203.03452	0.3
211.03894	2.0
211.07205	0.2
213.05466	2.5
215.03458	0.6
227.07060	0.2
229.04927	1.7
237.01889	0.3
237.05484	0.5
239.03394	3.4
240.04276	0.2
241.04982	1.2
242.05789	0.6
243.02904	0.8
243.99135	0.2
251.03452	0.3
253.05013	1.1
255.02888	0.4
255.06525	0.3
257.04480	1.9
258.05258	0.7
265.01532	0.2
265.04999	0.5
267.02890	2.6
267.05923	0.3
269.00784	0.3
269.04504	0.5
270.05209	2.0
271.02884	0.2
271.05966	3.3
277.05203	0.3
277.08331	0.2
279.02805	1.6
281.04425	1.6
283.02591	0.2
283.06052	0.9
285.03915	4.7
286.04630	0.9
287.01938	0.8
291.03119	0.2
291.06601	0.3
293.00851	0.7
293.04053	0.3
295.06168	0.7
297.03848	1.3
299.05533	0.5
305.04642	0.3
307.02295	0.4
307.05795	0.3
309.04025	0.7
311.01852	1.9
315.06250	0.2
319.05945	0.6
321.03894	0.8
322.04703	0.2
323.05450	2.4
325.03290	0.2
327.05017	1.6
331.09552	0.5
333.07745	1.5
335.01898	3.7
335.05588	0.6
335.08893	1.1
343.05927	0.2
345.03845	0.4
347.05353	0.4
347.09390	0.3
349.03253	0.8
351.04971	2.2
353.02957	1.5
357.07544	0.5
361.07062	1.1
363.05011	0.6
363.13400	0.2
365.06653	0.4
373.03336	0.3
375.04926	0.5
375.08994	0.2
377.02917	1.6
383.05478	0.3
385.07263	0.2
393.06070	3.1
395.03928	0.7
402.07126	0.3
403.08078	13.3
404.08453	0.4
405.06058	0.4
417.06000	0.4
419.03958	7.5
429.06021	2.9
435.06985	1.0
437.05118	1.8
471.07248	1.7
511.10797	0.2
513.08081	0.7
537.08429	0.4
555.09192	100.0
556.09546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.05029	0.4
57.49322	0.2
58.06625	0.5
59.07387	0.2
60.08163	6.9
66.11298	0.2
67.05501	0.8
71.07377	3.1
71.15667	0.5
79.05524	0.2
81.07043	0.7
83.08633	0.2
86.09703	32.2
91.05477	0.3
93.07069	0.3
95.08599	0.4
98.98466	3.4
104.10735	4.3
105.07020	0.3
107.08583	0.3
109.01958	0.2
116.99444	0.2
125.00002	23.0
125.09668	0.2
141.16098	0.2
143.01031	0.7
177.50928	0.2
179.54607	0.2
184.07335	100.0
185.07666	0.5
218.60655	0.2
456.89813	0.3
536.33276	1.0
554.34888	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	554.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
58.06618	0.5
59.07384	0.2
60.08164	6.7
62.87886	0.1
67.05512	0.6
67.20066	0.1
69.07056	0.3
69.44662	0.6
69.45090	0.6
70.06583	0.1
71.07372	3.0
75.11667	0.1
79.05479	0.3
81.07054	0.4
86.09705	30.7
87.10044	0.2
93.07065	0.2
95.08596	0.4
98.98463	2.9
104.10738	3.9
107.08590	0.1
109.10148	0.3
125.00005	21.5
137.05994	0.2
143.01056	0.4
166.02676	0.2
184.07336	100.0
185.07686	0.5
258.10962	0.3
346.18744	0.2
383.84155	0.1
536.33594	1.0
545.40808	0.2
554.34607	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	554.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68596	0.5
55.01867	0.8
57.03418	1.0
61.02923	1.4
62.39830	0.5
69.03419	3.4
70.06570	0.6
71.04987	0.5
71.60247	0.6
72.94796	0.4
79.05486	3.7
81.03426	1.9
85.02904	11.3
91.03941	0.5
91.05468	1.4
95.04955	1.6
97.02868	3.3
99.04448	0.6
103.05454	4.2
105.07046	2.9
107.04951	39.5
108.05282	0.6
109.02864	1.0
115.05452	1.5
117.06995	1.3
119.86903	0.5
120.05699	1.4
121.61640	0.5
123.04427	2.0
124.05212	2.0
125.06014	1.2
127.03915	1.8
131.04916	2.0
133.06522	0.8
135.04520	0.5
135.08047	12.1
137.05997	0.7
145.04962	2.4
145.07581	1.0
147.04378	0.7
149.05934	0.5
152.04720	0.8
154.06270	1.0
163.07535	33.3
165.05554	0.6
167.07033	91.1
168.07420	1.1
180.07730	2.9
181.08585	1.8
195.08353	0.9
195.10162	25.1
213.11208	100.0
214.11571	1.0
223.09744	0.6
242.50594	0.6
531.92206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	3.1
55.05510	3.1
61.02898	2.3
67.05492	2.7
69.03422	11.6
69.07057	5.4
69.44783	12.0
71.04976	4.8
73.02927	2.6
79.05473	8.8
81.03413	12.1
81.07051	17.0
83.04974	8.7
83.08608	3.6
85.02435	1.7
85.02905	23.2
85.06530	3.6
87.00813	8.9
91.05465	4.7
93.07039	20.2
95.04955	6.2
95.08603	24.1
97.02878	6.6
97.06525	15.7
99.04447	17.1
105.01849	5.1
105.07031	12.0
107.04932	3.0
107.08584	11.0
109.02915	6.7
109.06534	18.4
109.10151	2.7
111.08075	10.0
113.05971	1.8
119.08582	8.9
121.06506	43.2
121.10078	2.0
123.04458	1.7
123.08040	2.7
123.11712	3.8
125.05988	7.9
127.03893	10.9
127.07539	5.8
129.07057	1.8
131.08511	3.1
133.06421	1.8
133.10130	10.2
135.08046	7.0
137.05952	2.4
139.07538	12.5
141.05499	1.7
141.58020	1.7
143.07066	8.1
143.08546	2.4
145.04926	3.8
145.10110	4.5
147.08046	2.4
147.11676	25.0
149.13304	1.6
151.11186	3.4
157.08803	8.3
157.10103	7.8
159.02835	5.0
159.06522	6.8
161.13222	6.8
165.12779	9.5
169.12219	10.4
171.11687	9.5
173.09645	1.5
175.11182	18.0
180.68024	1.6
181.10146	2.5
189.12732	13.5
193.12230	22.0
199.11180	15.6
207.13849	10.8
211.13274	17.9
217.12241	52.7
224.31966	1.4
225.14912	2.4
229.14359	11.4
233.73074	1.5
235.13283	81.5
236.13603	3.3
253.14343	100.0
254.14725	2.3
271.15378	21.5
289.16461	23.7
333.39993	1.4
501.53500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
58.98969	0.9
59.78656	0.9
70.85435	2.0
87.51437	0.9
93.07056	0.9
93.96892	1.0
96.39128	0.8
100.89778	1.0
116.93968	1.0
133.03491	1.1
185.04253	1.6
203.05299	2.5
289.18320	1.2
299.18753	1.6
317.19641	2.3
331.10028	2.3
335.20654	2.8
359.13211	1.0
483.22330	1.5
553.29822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.05490	4.1
67.05478	4.3
69.03419	13.3
70.06591	9.4
70.23450	4.0
71.60074	7.2
73.69404	4.3
79.05482	7.3
81.03413	13.7
81.07080	8.8
83.08608	4.7
85.02901	16.4
87.00822	7.4
91.05485	12.9
92.31151	4.1
93.07053	8.9
96.04482	7.4
97.02880	16.7
99.04443	5.4
100.11243	5.6
105.01854	8.5
105.07021	13.8
109.02876	18.3
114.05532	12.6
116.07066	5.7
117.07008	7.9
119.08561	9.5
127.03920	18.7
128.06210	5.4
129.06990	12.3
131.08563	14.5
137.05969	6.5
143.08545	31.9
144.22592	4.2
145.10114	27.1
147.11621	5.0
155.08577	5.0
156.09413	7.5
157.10143	9.5
159.02835	5.5
161.06010	5.8
169.10120	5.4
171.11694	77.7
173.13251	12.2
181.10110	10.0
192.18297	4.2
199.11197	36.2
217.12238	85.0
227.10829	7.6
231.04915	4.7
245.11755	26.0
260.16412	17.8
286.21649	4.3
288.15903	5.1
306.13495	5.1
306.16989	100.0
322.26730	4.1
324.20041	4.4
366.14224	5.0
390.95462	4.9
520.08246	4.4
554.22156	24.4
554.42993	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	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.16923	0.5
53.52593	0.6
64.85507	0.6
67.05493	1.2
68.98814	0.6
69.42014	0.5
69.62471	1.6
69.62902	2.7
77.07922	0.6
79.05492	0.7
81.07057	0.8
93.07058	0.8
95.01965	0.7
95.08657	1.0
100.91035	0.7
111.39329	0.7
203.05190	0.7
219.67909	0.7
259.07745	0.9
292.78659	0.6
299.18774	0.9
317.19632	4.0
335.20822	1.8
522.66901	0.7
553.29852	100.0
554.30139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07676	0.4
56.03226	0.3
67.05503	0.8
70.38251	1.5
73.88811	0.3
81.07047	0.8
83.47455	0.4
85.02879	0.4
93.07052	0.5
95.08600	0.6
131.08517	0.4
133.03485	0.9
146.14664	0.4
161.03018	0.4
169.03900	0.3
203.05312	0.9
259.07996	0.5
299.18579	1.3
317.19653	2.1
335.20676	1.6
359.20993	0.5
391.24579	0.6
497.61255	0.4
535.28076	0.7
553.29834	100.0
554.30304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85709	3.0
77.77310	0.4
80.08398	0.5
81.07069	0.8
90.05428	0.5
91.05441	0.5
105.07087	0.5
128.62631	0.5
203.05325	0.6
214.07469	0.5
224.58946	0.5
234.07373	0.5
240.47018	0.5
291.25406	0.5
299.18402	0.6
317.19748	1.3
335.20618	1.3
391.24661	1.7
450.25613	0.5
553.29834	100.0
554.30023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3134
Annotation	Rescinnaminol
Peak:m/z	Relative Intensity
57.07055	1.5
58.34026	1.5
69.54092	13.4
84.25173	1.5
95.08604	3.0
95.61520	1.6
98.20772	3.3
125.08195	1.5
139.32803	1.5
230.95383	1.6
275.57449	1.7
317.84262	1.5
321.04236	1.5
517.42017	1.8
551.31287	100.0
552.31372	1.6
564.38763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24894	1.3
55.01862	1.6
56.96532	1.5
59.54005	1.2
64.34673	1.3
69.03417	3.1
70.06588	4.7
71.60230	1.7
72.73848	1.6
79.05488	4.0
80.26461	1.3
82.66199	1.3
85.02918	8.2
91.05487	3.2
93.76818	1.3
97.02902	3.5
99.49696	1.5
103.05473	5.8
105.07025	53.1
107.04926	2.1
115.05457	11.0
117.11388	1.7
118.04144	3.3
126.32562	1.5
127.03922	2.5
131.04938	2.9
133.06488	58.0
143.06015	3.3
161.05974	100.0
161.27072	1.5
175.07487	1.3
179.86597	1.4
193.08600	90.8
343.35663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62393	5.4
89.94144	0.7
94.93018	1.7
112.89604	13.2
114.89390	3.4
120.94530	0.8
123.90607	0.7
153.31020	0.7
168.92122	4.3
175.12733	0.8
186.93164	9.0
194.59109	0.7
210.94069	100.0
211.94354	0.9
214.89354	1.0
228.94208	13.4
246.95303	11.2
248.89691	1.9
254.90933	0.8
256.90598	1.5
264.16473	0.7
270.81659	2.8
270.95197	13.3
271.00217	1.0
282.95251	1.4
288.96332	3.7
300.96320	2.9
312.96451	1.1
316.92557	0.8
330.97406	4.3
372.98547	2.3
381.07950	13.2
390.99771	1.1
419.03320	1.5
460.85416	1.0
548.30847	0.8
553.04926	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	551.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61228	0.2
56.96565	23.4
56.96832	1.0
70.06564	0.2
70.47379	0.9
71.95261	2.8
72.96053	1.4
74.97570	0.6
81.07043	0.3
84.95998	0.5
85.47253	0.2
92.98668	0.4
97.96841	0.5
97.99190	0.3
98.97546	1.1
99.38970	0.3
110.97590	0.7
116.98594	1.1
123.01189	1.2
128.98586	0.8
133.06451	0.2
134.99677	1.3
137.02747	0.7
141.02182	0.8
146.99663	1.3
147.03252	0.3
151.04366	0.5
155.03798	1.4
157.01767	0.3
159.03210	0.2
165.00679	0.4
165.05856	0.2
169.01819	0.3
169.05347	1.5
173.04918	0.3
177.05833	0.3
179.07405	0.4
183.03235	0.3
183.06862	0.5
187.06442	0.3
195.06931	0.8
197.08438	1.8
205.09026	0.3
211.06346	0.4
212.07173	0.5
213.07990	0.4
221.08527	0.4
223.09972	0.5
225.11629	0.4
230.08223	0.5
235.09999	10.6
253.11107	100.0
254.11426	1.2
271.12161	52.7
272.12360	0.3
276.12711	10.4
277.12970	0.4
281.82574	0.3
294.13733	3.8
295.12134	7.4
313.13214	19.3
317.15399	0.4
331.14224	1.2
336.14804	3.1
433.20398	0.2
491.27090	0.7
537.57953	0.3
547.42029	0.2
551.28900	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	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
67.05514	0.4
69.66890	2.1
77.81800	0.3
78.06170	0.3
79.05495	0.5
81.07062	0.3
85.38529	0.3
86.09722	0.5
93.07045	0.5
105.80717	0.3
184.07292	0.4
203.05275	0.7
232.71582	0.3
259.07898	1.2
285.10178	0.5
303.04971	0.4
333.19189	0.7
342.20776	0.3
378.82510	0.4
389.23032	0.9
551.28241	100.0
552.28296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2828
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
62.64835	0.9
69.42844	9.8
77.51308	1.0
78.41257	0.9
85.02813	1.3
106.94004	1.0
140.62617	1.1
149.02371	2.9
156.64601	1.1
193.04935	2.5
203.05287	1.4
259.07776	1.5
263.85532	1.4
333.19116	2.8
351.20309	1.1
389.22821	2.7
551.28278	100.0
552.28235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11037	1.2
55.05498	1.8
56.96567	1.9
62.90736	1.2
67.05511	2.2
69.03429	3.2
70.06574	3.0
70.76591	3.7
79.05505	1.8
81.03413	3.1
81.07040	2.1
83.08638	1.5
85.02899	4.4
91.05469	2.0
93.07050	2.7
95.04922	1.5
95.08603	3.0
97.02899	2.5
105.07037	3.5
109.02871	3.0
117.03364	1.5
119.08600	1.5
121.06482	1.5
121.10172	1.8
121.42721	1.1
121.92773	1.2
127.03921	8.3
131.08603	1.5
137.05978	2.7
145.02840	4.3
145.10037	1.7
147.62038	1.3
162.39880	1.3
167.03177	2.2
171.11797	1.9
175.07600	1.6
177.05540	6.8
217.12163	1.7
227.05276	3.4
253.03577	1.5
257.11554	3.8
259.13101	1.4
271.04257	20.8
285.12158	4.3
303.12015	38.3
369.07986	2.4
419.16904	2.8
463.15802	15.4
465.17328	2.7
507.18408	14.3
551.17334	100.0
552.17474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71383	0.9
52.15901	0.9
55.01862	2.0
63.76560	1.0
69.03445	1.6
69.07104	1.1
71.59912	1.5
77.55920	1.2
79.05486	4.5
81.03419	1.9
81.07092	1.4
85.02906	1.9
86.09707	1.3
91.05489	12.6
93.07027	1.7
94.04197	4.1
95.04971	3.7
95.08604	1.9
103.05463	4.3
105.07042	12.5
107.04940	5.7
107.08562	1.2
109.06499	1.1
114.35361	1.0
115.05434	3.4
117.07004	1.4
118.04156	1.7
119.04933	12.8
119.08597	2.0
121.06521	5.3
121.10052	1.1
122.03648	6.2
128.06163	1.9
129.06985	2.4
131.04907	4.0
132.05708	2.8
133.02904	1.1
133.06485	11.2
135.04401	1.6
137.05981	100.0
145.06456	1.4
147.04419	15.3
147.08051	2.9
149.05986	8.1
151.03905	2.3
151.07520	1.8
152.04694	1.4
155.04915	1.7
159.08081	4.6
160.05170	1.6
161.05980	24.8
162.06787	1.6
163.07553	1.9
164.04643	1.3
167.07060	6.2
169.81656	1.2
172.05208	3.9
175.07552	18.8
178.07785	1.6
179.07039	5.9
184.07332	1.9
186.06772	2.0
187.07565	14.3
189.05524	2.1
189.07106	1.3
190.07796	4.9
191.08522	6.4
193.08572	2.8
199.07564	10.1
202.07784	4.6
203.08557	7.5
205.06563	1.9
205.10188	1.6
207.08069	2.4
215.08583	5.2
217.06544	2.4
217.08514	1.6
218.07292	6.0
219.08112	9.2
220.08788	2.0
221.06079	1.5
221.09645	4.9
231.08028	7.5
232.08876	3.1
233.09615	8.4
234.06705	2.2
234.10384	1.3
235.07639	5.2
236.08327	2.2
237.09064	1.8
243.08105	2.2
245.05902	1.6
246.06679	5.1
247.07556	5.9
248.08420	2.3
249.09073	6.9
250.09926	2.4
251.10680	8.8
253.08676	2.7
259.07568	3.2
260.08301	3.4
261.09128	12.6
262.09900	2.5
263.06970	2.1
263.10739	2.1
265.08612	3.1
275.10767	1.7
276.07892	1.4
277.08627	5.6
278.09369	5.5
279.10107	8.3
281.11786	1.5
285.11316	3.2
289.08600	11.3
291.10162	7.9
292.10910	2.1
293.11731	10.6
297.11169	3.7
307.09467	1.2
309.11182	29.8
309.14667	1.7
311.12787	17.8
320.10550	1.5
321.11212	38.3
322.11700	1.6
323.12747	8.0
335.12653	1.3
347.12454	1.5
441.21460	1.3
551.25238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1031
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03938	0.3
53.51284	0.2
55.01857	0.4
55.05510	0.2
56.96562	0.3
57.03432	0.2
61.02928	0.3
67.05486	0.4
68.99786	0.7
69.03427	1.7
69.48217	0.8
69.48654	0.8
70.06581	0.6
71.04986	0.3
72.08155	0.3
72.77099	0.2
73.02910	0.3
79.05500	0.3
81.03410	1.6
81.07064	0.3
83.04987	0.2
84.04513	0.2
85.02905	2.3
86.09689	0.6
87.00821	0.7
91.05476	0.5
91.81468	0.2
93.07049	0.6
95.04965	0.4
95.08619	0.4
97.02889	1.0
97.06534	0.3
99.04436	0.4
101.59030	0.2
105.01875	0.5
105.07034	0.4
107.08591	0.2
109.02893	1.4
109.10134	0.3
119.08553	0.3
120.08132	0.3
121.10109	0.3
123.04430	3.7
127.03919	1.3
129.10071	0.2
131.08513	0.3
133.02861	2.2
133.10117	0.3
137.05969	0.5
145.04947	0.5
145.10162	0.3
147.08046	0.2
151.03900	7.0
153.01826	36.5
154.02138	0.4
167.06996	0.5
172.03934	0.4
204.06564	1.3
205.04910	0.3
231.04980	0.2
249.11327	0.2
255.11263	0.4
261.39987	0.2
267.19507	0.5
283.10767	0.4
285.20590	0.4
293.09235	0.5
302.04144	0.4
303.04987	100.0
304.05301	1.2
313.03397	0.9
329.11368	0.9
339.09857	0.4
357.10715	0.5
389.13434	1.5
440.91449	0.2
465.10306	4.7
533.09546	1.0
551.10297	4.8
551.17957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
56.05045	1.0
57.07079	1.2
58.06607	1.6
60.07882	1.0
60.08166	17.6
61.87312	0.8
67.05492	1.3
69.07057	2.4
69.86106	4.6
71.07371	6.8
72.91428	0.8
76.79073	0.7
77.17234	0.7
81.07048	1.5
83.08594	1.7
86.09707	51.3
91.05489	0.9
93.07060	0.9
95.08638	2.0
97.10165	1.0
98.20812	1.1
98.98458	3.9
104.10743	99.1
125.00005	27.3
125.98080	0.8
163.01505	1.1
184.07344	100.0
233.46877	0.9
258.11145	1.2
426.83234	1.0
532.37659	8.7
550.38678	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39517	2.7
69.03407	5.4
71.60146	3.7
77.12014	2.5
81.03413	4.3
82.13147	2.3
85.02903	18.0
97.02899	5.5
104.51141	2.3
117.03354	3.6
121.02960	2.7
135.04387	16.6
139.03876	3.2
145.02821	6.8
147.04419	6.4
149.02281	2.6
153.05467	96.0
153.06702	4.7
161.05956	3.8
163.03905	100.0
177.01778	6.1
177.04033	3.1
181.04970	4.7
187.03905	4.2
189.05426	5.6
195.06528	60.2
203.03386	55.2
205.04955	3.6
215.03432	8.2
229.04964	4.0
231.02879	6.4
233.04521	3.4
261.03949	5.8
275.05487	3.3
279.04980	16.8
291.04968	16.6
303.05313	2.4
321.06097	9.6
339.07111	70.7
371.09631	5.6
552.97711	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1242
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.03126	0.1
67.01876	0.1
69.03423	0.1
69.40826	0.3
69.41251	0.5
70.06554	0.1
81.03419	0.1
85.02877	0.1
87.00848	0.1
91.00364	0.1
97.02866	0.1
97.12514	0.1
108.21597	0.1
125.05942	0.1
137.05997	0.5
149.06017	0.3
151.03929	0.1
153.01804	0.6
171.02855	0.2
175.03990	0.2
229.05025	0.3
257.04559	0.2
258.05240	14.9
259.05859	0.1
286.04706	36.7
287.05045	0.3
301.07053	100.0
302.07321	0.6
463.12317	1.6
517.18408	0.1
531.10968	0.2
549.12335	2.3
549.20502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.3
55.05508	31.7
57.03434	8.5
65.03941	5.0
67.05502	76.5
69.07066	31.5
71.04991	10.1
71.61658	5.0
79.05481	44.1
81.03434	5.4
81.07054	98.7
83.04978	5.6
83.08617	15.5
85.06538	6.1
91.05474	31.0
93.07043	51.1
95.04944	7.7
95.08601	100.0
97.06533	15.5
97.10174	4.8
99.08097	7.2
105.07022	28.7
107.08592	31.5
109.10147	42.5
116.58897	3.8
117.07046	9.1
119.08588	32.7
121.10123	27.9
123.11699	12.9
126.28764	4.6
131.08589	12.0
133.10109	23.5
135.11687	16.0
137.09669	6.1
137.13287	7.4
145.10133	13.3
147.11708	9.3
149.13255	10.1
159.11726	10.1
161.13252	28.6
163.14795	5.0
173.13258	8.2
179.14323	21.8
243.21013	7.3
253.17966	11.6
261.21985	24.7
269.17480	4.8
271.19070	15.4
279.23196	6.4
317.24527	4.8
335.25824	28.2
337.27563	5.3
353.26865	5.4
439.35986	8.9
457.36563	9.6
515.22253	4.5
522.09436	5.1
531.40515	32.5
549.40845	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	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.0
55.05256	5.8
55.05499	23.6
57.03422	12.1
67.05210	6.8
67.05504	71.2
69.03435	6.6
69.07053	15.5
71.59235	5.1
71.59623	7.3
79.05488	54.6
81.07045	51.6
83.08607	13.7
85.02878	8.4
91.05470	41.1
93.07043	70.4
95.08607	39.8
97.02921	8.2
97.06505	12.3
97.10197	7.8
105.07016	37.7
107.04987	6.6
107.08591	62.8
109.10156	33.9
117.06989	8.3
119.08558	34.5
121.10133	22.6
125.09624	8.0
131.08604	9.1
133.10152	30.0
135.11674	25.3
145.10123	11.8
147.11679	19.7
149.13281	12.1
159.11671	13.2
161.13266	10.1
173.13261	9.3
175.14735	10.0
184.07280	8.7
187.14761	10.2
214.64343	6.4
229.14363	15.3
241.19496	11.0
259.20584	34.7
277.21585	40.4
351.25320	100.0
503.91217	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17012	0.5
55.05498	1.0
56.05029	1.4
57.03415	0.8
58.06603	1.7
60.08163	17.5
67.05503	3.1
69.07069	1.5
71.07377	6.6
71.33767	1.2
79.05482	1.6
80.05419	0.5
81.07050	4.1
86.09707	49.7
91.05466	0.7
93.07040	1.2
95.08604	2.6
98.98470	3.8
104.10744	100.0
106.17507	0.5
109.10152	0.6
125.00007	27.9
145.10146	0.6
163.01547	1.1
177.05501	0.7
184.07338	99.1
192.26753	0.6
258.11072	1.0
303.67365	0.7
365.30533	0.9
530.36047	9.6
548.37207	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68349	4.2
55.01860	3.9
55.05524	16.8
57.03436	19.7
60.37870	3.0
61.02914	8.1
67.05502	48.1
69.07065	13.8
71.59212	5.6
72.14545	3.9
74.93362	3.2
79.05484	46.5
81.07053	52.6
83.08610	9.1
85.02881	7.6
85.06559	3.5
91.05486	45.8
93.07041	70.5
95.04970	6.8
95.08612	41.2
97.02880	3.6
97.06538	6.1
97.10159	3.8
99.08085	4.1
105.07017	36.3
107.08582	46.9
109.06487	6.1
109.10148	19.9
117.07001	19.6
119.08585	31.4
121.10156	36.6
123.11695	8.4
129.06987	7.8
131.08572	23.2
133.10138	31.9
135.11673	29.1
137.09514	3.7
143.08560	5.8
145.10129	19.0
147.11690	27.4
149.13269	13.8
157.10167	6.1
159.11737	18.0
161.13220	13.6
163.11247	5.1
171.11703	7.0
173.13260	10.0
175.14818	9.1
177.12721	5.3
185.13318	5.4
187.14845	9.6
199.14696	3.9
201.16328	5.9
205.16017	5.8
219.17528	4.7
241.19507	18.2
259.20651	31.2
269.17426	9.8
277.21573	26.5
333.24173	7.2
351.25351	100.0
465.14459	3.9
528.84528	4.5
572.42395	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	548.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
56.05043	1.0
69.03084	0.9
69.03438	7.8
70.06600	5.4
71.04987	1.5
71.60169	1.0
72.08136	2.9
73.02902	1.1
74.06041	0.9
81.03423	5.1
84.04503	2.1
84.08134	1.8
85.02906	5.3
86.09709	4.6
86.38827	0.9
87.28527	0.9
91.05489	2.0
93.07014	1.2
97.02918	4.2
98.06042	1.0
98.97597	1.1
99.04438	1.9
102.05535	1.3
105.07019	1.2
107.04945	1.2
107.08587	1.0
109.02901	6.7
113.02385	1.6
116.04977	15.2
116.98567	1.4
117.06993	1.3
118.06529	2.6
123.27504	0.8
125.82169	0.9
127.03921	5.6
127.13480	0.8
128.04965	6.5
131.08597	1.3
137.05997	3.1
143.08546	1.0
144.04491	2.1
145.05074	2.1
146.06015	100.0
147.06363	1.0
148.03940	11.6
161.05940	0.9
163.03882	4.2
169.04964	3.7
170.61925	0.9
171.11694	0.9
172.03940	72.1
177.05530	0.9
178.05089	1.0
178.37135	1.0
185.02467	0.9
190.04994	15.0
206.04364	1.1
208.06084	5.8
241.08643	2.4
310.07913	1.1
316.08264	6.2
334.09119	2.3
400.11060	1.0
439.09290	1.0
548.18091	1.2
548.36871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.05511	29.8
57.03435	6.0
57.07066	8.2
65.03908	4.4
67.05170	4.9
67.05505	89.2
69.07058	31.3
71.04993	31.9
71.08618	3.0
79.05495	52.3
81.03414	20.4
81.07055	71.3
83.04961	8.9
83.08607	13.2
85.06537	6.3
91.05477	41.7
93.07035	61.2
95.04980	28.1
95.08607	52.0
97.06512	9.4
97.10168	11.1
99.08101	4.9
105.07025	35.1
107.08585	32.7
109.06483	4.9
109.10148	44.6
111.08054	6.5
117.07034	10.6
119.08587	34.5
121.06493	3.8
121.10143	35.0
123.11682	6.6
125.09619	10.0
129.06981	10.6
131.08583	19.4
133.10117	20.2
135.11707	20.6
137.09636	17.9
143.08546	7.1
145.10132	20.1
147.11719	15.0
149.09616	4.0
149.13174	4.8
151.11121	3.1
157.10092	5.9
159.11693	10.5
161.13252	6.8
163.11157	8.5
169.12218	3.6
171.11693	5.2
173.11819	4.1
173.13232	7.9
180.45509	3.0
181.10019	3.3
181.12341	3.5
185.13300	4.4
187.14832	3.9
189.11075	4.7
189.16397	3.2
193.12224	7.8
217.19514	3.5
223.15002	3.6
227.12759	5.4
261.22208	4.3
267.15927	19.5
269.17590	3.8
303.26627	6.1
337.27362	15.8
432.02145	3.8
437.33679	5.1
455.35092	11.3
473.36581	7.3
503.37317	10.2
515.37531	21.6
529.38812	46.0
531.81506	3.2
547.36359	100.0
573.01538	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	547.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93830	0.8
55.05501	1.9
56.96567	14.3
57.03437	1.6
67.05518	4.8
67.05820	0.8
67.51848	0.8
69.07072	2.2
71.30167	1.1
71.95255	1.8
72.96018	0.9
79.05491	1.7
81.07062	3.8
83.08614	0.9
91.05487	1.3
93.07037	2.6
95.08619	4.1
102.92598	1.9
105.07036	1.8
107.08574	2.1
109.10172	1.0
119.08546	1.0
121.10182	0.7
123.01188	0.9
128.98636	1.3
131.00110	0.9
136.93091	7.0
146.99663	3.0
147.11671	1.2
149.01210	0.8
149.88606	0.7
154.94153	22.5
172.95230	100.0
177.95734	2.0
190.96275	83.0
195.96825	8.2
198.96819	1.0
208.97437	2.0
210.97540	11.4
212.98520	1.4
213.97855	8.0
216.97856	1.0
228.97847	39.0
230.99496	1.8
233.98476	2.0
239.09543	1.8
246.98918	20.2
251.99463	4.4
261.85086	0.8
270.00476	2.7
285.00394	1.1
303.01709	1.2
319.19424	26.2
320.19443	0.9
326.88544	0.8
335.19052	1.8
337.20480	62.6
337.27325	4.1
338.20837	2.0
355.21542	3.2
360.22037	12.0
361.22656	1.0
370.09521	1.5
393.22928	1.7
393.88052	1.0
399.16129	3.5
417.17047	2.2
455.18585	12.3
473.19763	89.0
474.20178	2.9
491.20801	23.5
496.21384	7.7
529.22467	1.3
529.38452	1.0
547.23468	56.8
547.37579	1.5
548.23438	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01874	2.8
55.05503	1.9
58.99576	2.5
61.01152	21.3
63.02401	1.9
67.05505	3.7
69.03438	5.7
69.75646	4.5
69.76057	5.7
70.06593	6.8
71.04989	2.4
72.08160	2.5
73.02912	6.6
77.00608	2.1
77.03941	1.9
79.05491	4.6
81.03411	3.1
81.07056	6.1
83.04966	2.1
84.08119	3.0
84.96185	1.5
85.02897	12.7
86.09715	4.4
86.99049	2.4
89.00615	26.4
89.03937	2.7
91.05479	18.2
93.07050	6.2
95.04943	2.9
97.02897	4.4
98.90831	1.3
103.05490	2.9
105.00062	1.7
105.07025	18.8
107.04938	4.4
107.08546	1.9
107.31854	1.6
109.02849	1.8
109.06652	1.5
115.05479	3.5
117.03403	2.7
117.07021	30.6
119.04913	4.2
119.08595	10.8
121.06528	4.5
125.24634	1.5
127.03973	1.6
128.06215	8.3
129.07010	23.7
130.04106	2.4
130.07808	4.3
131.04936	7.4
131.08553	22.3
132.99600	2.1
133.02846	13.7
135.04408	11.7
137.05968	14.6
141.07001	5.2
142.07768	5.0
143.08559	63.1
145.02841	3.9
145.06523	2.6
145.10120	74.8
146.03590	1.7
146.10443	2.5
147.04399	6.3
147.08043	2.7
147.11699	8.1
149.05980	7.2
150.06757	23.5
151.03914	5.9
153.06990	2.2
154.44341	1.8
155.08598	6.8
156.09351	11.1
157.10101	13.2
159.04396	8.9
159.11708	9.1
161.02365	12.6
161.06015	4.4
161.09740	2.0
162.03096	3.7
163.03940	6.6
163.07558	2.4
164.04761	1.9
165.07043	3.0
166.06358	1.6
166.07776	3.9
169.10130	4.9
171.08093	2.9
171.11690	100.0
173.09686	4.9
173.13246	11.7
175.03908	8.0
175.07576	4.3
175.11188	2.4
176.04698	21.5
177.05484	16.8
181.10141	13.1
183.11720	2.0
187.03896	26.0
187.11171	24.2
189.12743	7.6
191.03366	1.7
191.10785	2.0
194.05716	2.4
199.11176	32.0
199.12845	2.6
199.50731	1.7
201.12625	1.8
205.06555	3.3
205.12204	9.6
209.09608	1.7
215.10648	2.8
217.12239	75.0
221.05925	4.3
227.10724	13.3
229.10454	3.1
233.05992	4.7
233.11723	2.5
238.06104	2.3
239.11716	1.5
245.11736	10.8
249.05405	2.6
250.06149	2.6
252.04156	1.9
266.05743	5.1
267.06509	2.3
275.11081	3.9
277.04993	3.2
277.08997	2.1
278.05997	2.6
279.06448	2.1
283.09482	3.4
293.08572	3.1
293.12073	16.8
294.05301	7.1
309.07596	14.1
311.09122	39.9
311.12564	2.9
321.11572	11.3
337.07059	68.3
337.11142	3.5
339.12613	28.0
349.11099	3.1
355.08206	11.8
364.40811	1.6
367.12054	9.7
385.13132	51.2
405.89444	1.8
529.12512	1.9
547.21191	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01857	1.4
55.05507	5.9
57.03448	4.4
57.07077	1.7
61.95420	1.0
62.29961	0.9
64.77792	0.7
66.14386	0.7
66.46622	0.9
67.05505	5.0
69.07060	6.8
69.93184	3.0
69.93595	1.6
71.04986	0.8
71.08640	4.3
79.05502	4.6
80.56942	0.8
81.07058	12.8
83.04974	0.9
83.08630	4.1
86.35086	0.8
91.05478	4.2
93.07043	7.9
95.04953	1.3
95.08595	9.7
97.06508	2.9
97.10123	1.2
98.98441	3.1
99.08057	2.3
105.07026	7.5
107.08583	8.6
109.06510	6.8
109.10142	3.2
111.08084	1.2
119.08569	9.8
121.10162	5.6
123.01747	0.8
123.08064	15.3
123.11709	1.8
125.09581	1.5
131.08582	3.0
133.10101	5.9
133.34750	0.9
135.08003	8.6
135.11687	2.4
137.09627	1.3
139.11162	0.9
143.08554	1.0
145.10051	4.5
147.11699	4.7
149.09618	2.3
149.13240	1.7
157.10057	1.4
159.11665	2.8
159.31920	0.8
161.09616	1.6
161.13197	1.4
163.11229	1.2
165.12709	1.3
169.10045	0.9
173.13306	1.9
175.14839	7.5
177.12764	4.1
177.16307	1.0
179.14294	22.5
186.02875	0.8
193.15881	2.0
205.15918	4.6
205.86543	0.9
216.06395	1.2
275.19861	1.1
277.21487	1.2
289.21567	6.9
293.21057	2.7
303.26758	2.0
319.22815	1.2
331.26297	13.2
337.23648	1.0
349.27225	6.0
357.27777	1.4
369.27792	1.2
374.30374	2.7
375.29019	2.6
387.29019	7.1
405.29977	100.0
406.30310	1.3
485.26712	1.5
503.27359	5.1
546.37109	3.3
546.94397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01860	6.0
55.05511	2.7
57.03420	2.1
57.93990	2.3
67.05504	4.0
69.03432	12.2
71.04989	3.3
71.60120	3.0
73.02936	2.3
79.05468	6.1
81.03416	12.4
81.07040	8.6
81.73740	1.8
85.02905	25.8
87.00825	15.6
91.05496	13.3
91.65215	1.9
93.07020	2.5
97.02890	27.3
99.04448	4.3
105.01883	14.9
105.07026	27.9
107.08595	2.1
109.02876	22.8
117.07005	5.7
119.08598	12.5
122.07181	2.6
122.09660	6.5
127.03927	33.3
128.06209	7.1
129.06992	9.3
131.08559	24.3
140.73697	2.1
142.07758	6.0
143.07486	3.7
143.08566	68.9
145.04973	10.7
145.06390	2.9
145.10112	29.2
146.10849	2.5
147.02725	2.2
147.11681	69.4
153.01776	3.0
155.08548	5.0
156.09378	12.1
157.10120	7.0
159.02914	5.2
161.06102	2.5
161.09612	2.9
166.07736	5.0
169.06479	2.6
169.10066	3.9
171.11694	58.3
173.09578	3.4
173.13261	9.5
175.11172	20.4
181.10091	15.6
184.08846	7.0
189.09100	3.1
189.12724	17.2
191.10706	2.5
193.12218	31.4
199.11188	60.3
201.12737	8.3
213.03958	6.3
217.12251	63.1
219.13744	4.7
227.10654	5.6
231.05000	12.4
235.13278	35.3
245.11742	100.0
263.12796	37.8
281.13831	8.0
340.09036	3.4
383.11166	3.4
384.11578	8.4
505.40640	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79763	1.3
55.01876	1.8
55.05476	1.5
55.97722	1.2
67.05516	1.5
69.00728	1.2
69.03413	4.8
70.06593	10.2
71.04754	2.6
72.08142	3.7
73.02909	4.8
76.02209	1.9
79.05491	2.1
81.03391	2.1
81.07056	5.4
84.04495	2.0
84.08123	1.2
85.02905	7.9
86.00632	1.1
86.09706	11.4
88.02216	5.1
88.03996	14.5
91.05460	8.1
92.33923	1.2
93.07025	5.2
95.08598	2.5
97.01101	1.4
97.02891	3.7
105.07030	13.0
109.02852	2.0
117.07016	11.8
119.08576	6.3
120.08121	1.7
122.02740	2.7
127.03882	2.7
128.06229	3.2
129.06984	9.1
131.08562	14.1
132.01161	2.6
137.05920	1.9
142.07761	2.0
143.08562	17.8
143.11806	2.1
145.10115	30.0
147.02614	3.9
147.07994	1.5
147.11711	7.8
149.04222	2.4
155.08530	5.9
156.09309	1.8
157.10117	3.9
159.11749	1.7
161.04196	5.8
163.05711	2.4
169.10118	5.3
171.11690	24.2
173.09625	2.6
173.13274	23.7
175.07596	2.1
175.14839	3.2
177.09079	7.9
181.10138	5.6
187.11110	2.5
197.09642	1.7
199.11182	14.4
201.12605	4.0
203.08867	12.9
205.10463	2.4
209.06332	4.2
217.12256	12.2
219.13837	4.2
227.10648	5.8
231.08357	3.3
245.11676	5.5
249.09422	10.2
251.11057	4.3
263.12723	1.7
277.09030	3.6
286.14160	1.4
295.09900	7.7
320.13092	4.8
338.14261	10.0
348.12866	1.7
366.13559	3.6
367.12067	5.7
384.14761	100.0
385.15027	1.8
484.87338	1.5
492.49585	1.6
528.18915	2.3
546.19214	1.8
557.38000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01859	1.4
55.05494	1.2
57.03428	0.7
58.99587	0.6
61.02913	1.4
67.05502	2.3
69.03434	4.0
69.07055	1.1
69.81473	0.8
69.81873	2.3
70.02970	0.5
70.06573	1.9
71.04986	0.5
72.08143	1.1
73.02909	3.7
76.02209	1.5
79.05484	2.8
81.03412	2.2
81.07062	5.3
83.08608	0.6
84.04485	0.7
85.02412	0.8
85.02906	10.0
86.00654	0.9
86.09699	2.9
88.02216	3.5
88.03992	12.5
91.05480	7.5
93.07053	6.4
95.04963	1.4
95.08595	1.7
97.01115	1.7
97.02886	3.3
103.05451	0.5
105.07027	13.5
107.04942	0.9
107.08574	1.5
107.56423	0.4
109.02883	1.5
109.06557	0.6
115.05460	1.6
117.07014	9.6
119.05005	0.6
119.08575	6.9
120.08163	0.6
121.06479	1.0
121.10147	0.9
122.02731	3.2
122.06030	0.7
123.02649	0.6
127.03888	2.0
128.06215	2.8
128.54269	0.4
129.07004	9.2
130.07773	0.9
131.08569	14.2
132.01144	2.0
133.06458	0.7
133.10124	1.9
134.02731	0.5
135.02644	0.8
135.08041	0.6
137.06009	0.8
141.06993	2.4
142.07790	1.9
143.08557	20.2
145.05003	0.7
145.06467	1.3
145.10121	30.9
147.02631	3.2
147.08011	0.9
147.11688	7.0
149.04185	1.4
153.06938	0.9
154.07774	1.2
155.08569	5.3
156.09348	4.2
157.06493	1.4
157.10138	4.5
158.10915	0.7
159.07996	1.0
159.11690	1.8
161.04185	4.5
161.05415	0.6
161.06030	0.7
161.09641	0.7
163.05757	1.6
163.07521	0.6
165.07082	0.8
166.07797	1.2
169.10144	6.5
170.08223	0.5
170.10918	1.4
171.08054	1.6
171.11688	26.4
173.09608	3.3
173.13254	23.4
175.05865	0.8
175.07478	1.2
175.11215	1.1
175.14844	3.6
177.07552	0.9
177.09108	7.0
181.10124	5.0
183.11748	1.2
184.08862	0.9
185.09680	1.3
187.11183	2.2
189.07231	0.9
189.09084	1.0
189.12802	0.7
195.67578	0.5
197.09590	1.5
199.11180	16.9
201.12787	3.3
203.08914	12.0
203.10661	0.7
205.10501	3.0
207.04703	0.9
209.06311	4.2
213.07304	0.6
215.08911	0.6
215.10707	2.2
217.12251	12.6
219.13742	3.4
221.09891	0.7
227.10667	3.5
229.10333	0.5
231.08418	2.3
233.09935	1.1
245.11729	5.3
249.09448	9.0
249.29707	0.6
251.11015	3.5
259.08099	0.7
263.12851	2.0
274.12592	0.8
275.10971	1.0
277.09027	2.4
277.11945	0.6
292.13586	1.2
295.09998	7.4
297.11679	0.8
302.12192	0.6
320.13184	4.4
338.14178	8.1
348.12573	1.8
366.13690	3.6
367.12161	5.4
384.14749	100.0
385.15271	0.8
426.15750	1.0
462.15778	1.6
510.18298	0.7
528.18524	0.7
546.20300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03938	5.0
55.01870	4.4
55.05508	28.2
57.03434	9.5
57.07063	2.7
59.04989	1.6
62.47021	1.3
65.03929	4.0
67.05501	65.9
69.03427	4.1
69.07067	17.7
69.25401	6.3
69.25828	6.8
71.04984	6.8
77.03909	1.7
79.05489	61.9
81.03413	43.5
81.07053	59.2
83.04977	10.1
83.08617	23.4
85.02901	25.6
85.06558	3.3
91.05476	52.3
93.07040	61.8
95.04958	27.6
95.08605	40.7
95.09232	1.8
97.02875	2.7
97.06526	4.9
97.10163	6.9
98.20687	2.5
99.08106	2.3
99.21860	1.2
105.07026	35.3
107.04935	3.4
107.08580	25.7
109.06494	5.6
109.10149	15.8
111.04457	2.9
111.08060	10.5
113.06006	2.2
117.07022	12.1
119.08573	28.0
121.06519	2.6
121.10136	26.6
123.08063	2.9
123.11711	4.4
125.09616	3.9
129.07019	10.8
131.08562	22.0
133.06465	2.0
133.10118	15.6
135.08044	2.0
135.11661	12.8
137.09630	1.3
142.07800	3.9
143.08551	3.3
145.10123	9.9
147.08037	2.8
147.11673	18.3
149.09634	4.7
149.13258	5.6
151.11160	1.3
155.08516	1.6
157.10147	13.0
159.11691	8.0
161.13300	5.0
161.38339	1.1
163.11203	1.6
163.14828	1.5
165.12788	3.3
169.10161	2.7
171.11670	2.4
173.13272	7.0
175.11177	11.1
175.14828	1.7
177.16354	1.4
183.11734	1.9
185.13213	2.0
187.14828	2.7
189.11232	2.8
193.12239	49.0
197.13269	1.7
199.14891	2.2
211.13277	50.5
211.15233	2.6
227.12785	4.7
249.14915	1.3
251.17784	1.2
261.22208	6.0
267.15921	5.4
285.22131	1.6
293.80112	1.1
301.25363	3.4
335.25793	4.6
359.25189	1.7
417.31509	1.9
435.32617	5.3
453.33835	2.6
471.34473	2.0
509.36685	2.3
527.37341	17.5
528.37482	1.6
545.38342	100.0
546.38538	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81419	2.1
53.03935	4.7
54.37368	1.9
55.01864	6.4
55.05262	3.1
55.05510	42.7
55.16924	1.9
57.03435	10.4
57.07061	1.9
65.03930	5.4
67.05502	83.0
69.03425	5.4
69.07063	20.4
70.06641	4.7
70.07050	8.0
71.04977	4.9
79.05490	54.5
81.03430	26.9
81.07055	75.3
83.04972	5.9
83.08617	25.7
85.06569	3.6
91.05471	41.2
93.07047	47.8
95.04972	27.6
95.08601	49.3
97.06541	6.4
97.10169	27.5
98.20797	2.5
105.07030	41.4
107.04966	8.4
107.08595	33.3
109.06510	8.6
109.10171	32.1
111.08103	5.8
117.07026	19.1
119.08581	35.2
121.06505	12.4
121.10141	25.3
123.08064	5.4
123.11728	10.8
125.09629	21.6
128.06252	3.0
129.06973	10.7
131.08575	35.1
133.06499	4.1
133.10133	24.8
135.08070	9.4
135.11676	16.3
137.09579	2.6
138.79181	2.3
143.08572	9.4
145.06552	2.4
145.10089	22.5
147.08083	2.5
147.11687	17.6
149.09601	6.5
149.13286	6.3
155.08559	5.5
157.10127	12.2
159.08025	3.0
159.11662	18.1
161.09624	4.2
161.13286	11.8
163.11192	6.1
163.14842	4.1
169.10156	5.4
171.11710	9.6
173.13216	16.1
175.11177	4.6
175.14790	5.2
177.12781	2.4
177.16313	2.5
181.10143	3.0
183.11717	6.6
185.13220	7.8
187.11185	3.6
187.13142	2.5
187.14755	5.7
189.11154	11.8
189.16385	3.1
193.12260	9.8
197.13312	2.6
199.14951	4.8
201.16362	3.3
211.14809	2.5
213.12709	2.4
213.16470	3.5
227.12704	19.5
235.16910	2.4
243.21153	3.2
247.16913	5.3
261.22147	15.0
267.15866	25.2
285.22241	4.5
299.23904	2.3
301.25278	24.9
303.23199	3.5
325.21808	2.3
335.25735	18.0
421.25699	3.8
425.34332	2.6
435.32602	7.4
453.33740	13.6
471.34668	13.6
509.36310	3.5
527.37250	55.9
545.38367	100.0
546.38629	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01868	6.8
55.05510	52.3
56.05821	2.3
57.03439	16.7
57.07070	8.9
59.05003	2.3
65.03953	3.4
65.99536	1.7
67.05508	86.8
68.05842	3.2
69.03427	4.2
69.07066	33.2
69.35933	20.2
69.66028	1.9
70.07404	4.9
71.04987	6.6
71.07372	7.0
71.08622	5.0
78.89397	1.9
79.05493	49.5
81.03420	26.1
81.07057	80.5
83.04994	6.4
83.08619	34.5
85.06544	5.5
86.09709	32.4
87.10039	8.4
87.15849	1.8
91.05485	43.5
91.06010	4.1
93.07048	49.4
94.07355	2.5
95.04977	20.9
95.08609	47.9
96.08975	3.4
97.06534	8.4
97.10165	27.1
98.20779	3.5
105.04527	2.0
105.07032	39.5
107.04953	8.0
107.08592	36.1
109.06540	7.8
109.10161	31.3
110.91044	1.7
111.08083	5.3
115.05505	3.1
117.07027	20.3
119.08580	34.1
121.06493	9.1
121.10146	28.5
122.10497	2.6
122.99110	1.8
123.08076	8.3
123.11688	10.7
125.09625	18.9
128.06207	2.0
128.07840	1.8
129.07027	11.1
131.08563	28.6
133.06415	3.5
133.10132	26.7
135.08080	6.3
135.11676	14.9
137.09583	4.0
143.08627	9.8
145.06525	3.4
145.10106	18.2
146.98180	54.7
147.08054	2.3
147.11697	14.6
147.98550	5.2
149.09633	5.2
149.13277	7.8
150.21887	2.0
151.11264	2.7
155.08577	4.5
157.10112	14.3
159.11691	12.4
161.09555	2.1
161.13246	9.4
163.11145	3.3
163.14822	4.2
169.10133	4.8
171.11725	7.2
173.09584	2.7
173.11867	2.9
173.13266	8.6
175.11177	3.2
175.14799	3.6
176.42969	1.8
177.12811	3.1
177.16457	2.2
181.10199	2.9
183.11697	4.8
185.09679	2.3
185.13239	6.1
187.14825	6.4
189.11226	12.4
189.16389	3.6
191.14397	2.6
193.12239	7.5
195.11642	2.7
197.13304	4.7
199.14812	3.8
199.35905	2.1
201.12593	2.4
201.16270	3.3
205.12105	2.6
213.12845	3.0
227.12767	14.7
229.15712	2.3
243.21091	3.1
261.22165	10.8
267.15857	25.6
275.10104	2.3
277.21951	2.6
285.22092	8.1
297.22095	2.0
301.25217	23.6
303.23373	3.4
307.19778	1.9
317.24936	3.1
323.22626	2.3
329.20917	3.3
335.16757	4.2
335.25815	17.9
337.27045	2.1
339.28799	3.4
340.29449	12.8
359.25797	4.6
421.25882	3.8
435.27515	2.8
435.32541	11.8
449.28879	2.5
453.33661	16.3
471.34756	14.7
485.26312	9.6
486.26773	53.7
509.36017	2.8
527.37305	65.4
545.39081	100.0
546.38916	3.6
557.47894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
54.49689	1.3
55.01857	4.3
55.05261	1.6
55.05511	29.5
57.03438	8.8
57.07064	2.0
59.05006	1.9
63.12447	1.1
65.03944	3.2
67.05503	56.9
69.03416	4.4
69.07063	13.9
69.47388	5.5
69.47808	3.8
71.04990	4.9
72.03119	1.2
79.05494	47.8
81.03417	29.8
81.07057	52.4
83.04984	6.8
83.08617	18.2
85.02901	9.9
85.06503	2.8
91.05479	39.1
93.07041	42.5
95.04966	21.0
95.08604	35.8
97.02911	2.2
97.06529	4.4
97.10152	13.2
99.08120	1.2
105.07024	29.2
107.04961	5.1
107.08579	22.7
109.06499	5.7
109.10156	18.8
111.08087	5.6
113.06029	1.5
115.05423	1.4
117.07012	12.4
119.08583	24.7
121.06521	4.8
121.10146	21.7
123.08084	4.5
123.11720	6.0
125.09643	9.9
128.06195	1.3
129.06987	9.1
131.08568	19.3
133.06519	1.6
133.10133	16.9
135.08072	3.6
135.11682	11.7
137.09657	2.7
137.13235	2.0
139.11160	1.3
141.06985	2.3
142.07759	2.7
143.08516	5.7
145.06525	1.2
145.10118	12.8
147.08052	4.2
147.11694	13.8
149.09612	4.2
149.13264	5.7
151.11169	1.6
155.08572	3.5
157.10130	11.4
159.11674	9.6
161.09697	1.7
161.13231	5.7
163.11237	2.6
163.14861	1.7
165.12740	1.5
169.10132	2.3
171.11699	4.3
173.13263	7.8
175.11250	7.7
175.14804	3.8
181.10069	2.2
183.11699	3.2
185.13255	2.9
187.14841	3.4
189.11263	5.7
193.12254	25.7
195.11749	1.7
197.13380	1.7
199.14857	2.4
201.16333	1.7
211.13264	24.9
213.14633	1.7
213.16467	2.3
227.12753	9.2
261.22241	8.3
267.15918	12.9
278.22626	1.4
285.16922	1.4
285.22159	2.2
301.25259	11.1
303.23224	2.9
317.24683	2.8
335.25787	8.2
343.22629	1.5
357.28052	1.6
359.25519	1.7
403.24734	1.9
414.76669	1.2
417.31674	2.4
434.41394	1.5
435.27328	1.7
435.32498	5.7
453.33630	10.0
471.34619	6.5
501.35797	1.4
509.35938	1.6
527.37323	35.6
545.38354	100.0
546.38568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.7
53.03929	4.7
55.01868	3.4
55.05511	33.9
57.03437	10.1
57.07075	3.0
65.03935	4.2
67.05502	66.6
69.03420	4.7
69.07058	15.7
69.53025	8.0
69.53455	4.8
71.04990	4.2
79.05491	62.9
81.03417	41.5
81.07057	68.9
83.04983	12.2
83.08616	26.0
85.02904	22.9
85.06545	2.9
87.16293	1.4
91.05476	55.7
93.07041	63.7
93.63148	1.7
95.04964	31.6
95.08600	40.5
97.02888	2.4
97.06543	4.3
97.10143	8.1
99.08105	1.6
105.04518	1.8
105.06297	2.2
105.07024	40.7
107.04935	3.9
107.08585	30.4
109.06504	5.6
109.10154	16.3
111.04466	2.4
111.08070	9.4
113.06011	2.3
117.07026	6.7
119.08578	30.0
121.06531	3.1
121.10139	27.1
123.08091	4.2
123.11694	6.1
125.09623	5.9
125.77074	1.7
128.06247	2.0
129.07010	11.1
131.08562	20.5
132.85297	1.7
133.10121	20.1
135.11693	11.5
137.09651	2.9
143.08553	3.5
145.10089	13.5
147.07942	2.0
147.11678	19.7
149.09677	5.7
149.13255	5.5
155.08565	2.1
157.10110	14.7
159.11659	9.8
161.13275	5.0
165.12790	2.8
169.10063	1.8
170.46107	1.6
171.11742	4.4
173.13237	5.6
175.09819	2.1
175.11139	12.1
187.14783	4.4
189.11227	3.0
193.12224	48.3
211.13283	44.1
211.15215	2.0
227.12772	3.7
243.21140	1.8
261.22137	11.7
267.16013	10.0
275.65704	1.6
285.22079	3.2
299.23648	2.0
301.25357	5.0
317.24490	3.1
335.25854	6.7
359.25906	2.2
432.28336	1.7
435.32626	4.0
453.33243	3.9
471.34598	4.6
527.37415	19.9
545.38342	100.0
546.38885	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03928	4.4
55.01860	5.0
55.05512	30.4
57.03435	9.8
57.07072	3.7
59.05004	1.6
63.59930	1.6
65.03918	4.3
67.05506	57.3
67.33630	1.6
69.03426	2.9
69.07071	16.4
69.67441	4.3
69.67860	6.1
71.04993	3.5
76.44844	1.5
79.05051	3.1
79.05490	43.9
81.03418	20.3
81.07054	53.9
83.04980	6.5
83.08617	17.0
85.02908	3.2
85.06548	3.8
91.05476	32.8
93.07037	38.5
94.07298	1.3
95.04955	17.2
95.08603	34.5
97.06539	5.0
97.10177	17.3
100.30244	1.4
104.28478	1.5
104.72944	1.4
105.07033	29.2
107.04967	5.8
107.08582	24.7
109.06490	6.7
109.10154	22.3
111.08080	3.7
115.05436	1.5
117.07014	16.2
119.08581	25.6
121.06509	6.1
121.10128	19.5
123.08083	3.6
123.11704	6.2
125.09640	14.9
129.06999	6.8
131.08577	20.9
133.06494	2.7
133.10135	18.4
135.08054	5.8
135.11694	11.9
137.09656	3.1
141.07007	2.0
143.08534	7.1
145.10101	16.9
147.08034	1.8
147.11684	17.2
149.09637	2.9
149.13255	6.7
151.11208	2.1
155.08543	2.6
157.10114	8.6
159.08046	1.7
159.11688	11.5
161.09540	2.1
161.13264	5.6
163.11174	3.2
163.14822	3.3
169.10173	3.2
171.11731	4.9
173.09628	3.1
173.13257	7.2
175.11171	3.6
175.14877	3.1
177.12735	1.9
181.10120	2.0
183.11664	2.9
185.13283	3.6
187.14853	4.4
189.11249	8.6
193.10478	2.3
193.12160	11.3
197.13280	2.7
199.14838	4.3
201.16438	2.2
211.13300	6.3
219.17459	2.0
227.12788	9.9
233.15323	2.8
243.21294	2.2
247.17024	2.0
249.14873	2.0
261.22189	12.7
267.15918	21.6
285.22180	3.8
287.20001	2.5
299.23596	2.7
301.25159	20.7
303.23242	1.8
335.25793	16.1
356.92636	1.5
359.25882	1.6
403.24585	2.4
417.31528	3.5
421.25928	4.1
435.27197	2.5
435.32550	8.4
436.89935	1.8
453.33707	14.0
471.34521	10.6
475.31546	1.9
509.36456	2.3
527.37311	55.6
528.37866	1.9
545.38348	100.0
546.39111	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03933	5.3
55.01850	4.6
55.05512	25.9
57.03443	8.7
57.07075	1.8
65.03948	2.5
67.05505	70.1
69.03423	5.0
69.07072	15.8
71.04978	4.6
79.05491	59.1
81.03417	39.1
81.07055	56.4
83.04981	11.9
83.08621	21.9
84.31049	1.7
85.02905	20.3
85.06528	2.9
90.12340	1.6
91.05482	48.8
93.07043	57.4
95.04968	27.7
95.08606	36.8
97.06509	6.2
97.10153	8.0
98.21559	2.2
103.05476	1.5
105.06374	2.8
105.07035	34.3
107.04931	5.9
107.08595	26.5
109.06503	5.8
109.10159	16.6
111.08050	8.4
113.06020	1.7
115.05431	1.7
115.71045	1.5
117.07003	10.3
119.08575	28.0
121.06525	2.6
121.10149	25.4
123.08073	3.4
123.11711	5.2
125.09614	5.5
129.07021	9.8
129.33264	1.5
131.08574	15.6
133.06520	2.6
133.10133	18.3
134.09077	1.4
134.17206	1.5
135.11673	12.3
137.09630	2.1
142.07727	1.8
143.08562	4.2
145.10101	9.9
147.08052	4.7
147.11676	18.1
149.09634	5.9
149.13266	3.4
150.77307	1.7
155.08575	2.2
157.10150	12.8
159.11739	8.3
161.13269	5.6
163.11241	1.9
165.12775	3.3
169.10066	2.6
171.11737	3.7
173.13295	5.5
175.11205	10.8
175.14769	2.8
177.12689	1.5
183.11700	2.3
187.14825	2.3
189.11302	3.0
193.12239	45.6
211.13275	46.8
227.12857	3.0
243.21007	2.5
261.22150	6.5
267.15887	5.7
301.25275	4.4
303.23413	2.3
335.25684	4.8
435.32834	4.9
453.33813	4.6
471.34637	3.8
482.94662	1.5
483.02448	1.8
527.37262	20.0
545.38348	100.0
546.38947	3.9
571.89819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01863	6.6
55.05511	32.5
57.03434	6.7
57.07066	3.5
57.87541	2.1
61.98375	2.4
67.05167	3.8
67.05505	58.3
69.03428	3.4
69.07068	19.6
69.51178	14.9
69.80189	2.5
70.33908	2.3
71.04988	5.1
71.08599	2.6
73.83145	2.4
79.05493	41.4
81.03426	22.9
81.07058	67.6
83.04978	9.1
83.08627	17.4
85.06531	2.5
86.09679	4.2
91.05483	31.2
93.07037	43.3
95.04980	21.4
95.08607	35.9
97.06549	8.7
97.10174	19.2
104.10739	8.4
105.07027	35.0
107.04955	5.9
107.08594	30.1
109.06528	6.9
109.10146	29.5
111.08094	5.3
111.27705	2.3
117.07018	15.5
119.08587	27.1
121.06514	6.1
121.10142	16.8
121.84358	2.5
123.08093	8.7
123.11709	8.8
125.09652	14.8
129.07025	8.3
131.08562	27.6
133.06561	3.1
133.10117	18.1
135.08051	11.1
135.11710	9.2
137.09666	5.8
143.08559	8.3
145.06461	4.2
145.10098	16.5
147.11665	13.7
149.09599	4.6
149.13286	10.7
155.08539	3.2
157.10141	10.8
159.11664	14.7
161.13277	8.2
163.11163	4.8
163.14845	4.8
169.10112	4.2
171.11739	8.1
173.13277	10.7
175.11070	3.5
175.14862	5.8
183.11728	5.0
185.13228	5.8
187.11317	3.3
187.13268	2.6
187.14822	8.6
189.11194	9.0
189.16429	2.5
193.12257	8.6
199.14787	4.0
215.59245	2.3
227.12773	14.4
233.15353	5.1
259.20648	2.9
261.22220	12.3
267.15933	21.7
277.21667	4.4
285.22192	4.5
287.19998	2.3
292.97275	2.6
301.25235	23.5
303.22897	2.3
305.75311	2.4
317.24908	2.7
335.25867	19.5
343.93103	2.6
373.27414	2.4
421.25620	4.0
435.32626	8.9
453.33557	16.8
471.14740	2.4
471.34616	14.8
509.35947	3.0
527.37396	56.1
545.38312	100.0
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	3.5
55.01862	4.6
55.05508	30.3
57.03436	10.1
57.07061	3.8
65.03940	1.6
67.05505	65.4
67.05872	3.1
69.03416	5.2
69.07073	16.1
71.04955	3.0
71.05537	1.5
71.08629	1.9
79.05490	37.8
81.02975	2.2
81.03418	27.2
81.07058	59.1
83.04974	6.0
83.08620	17.2
85.06519	2.4
91.05485	33.1
92.19378	1.5
93.07041	40.2
95.04963	19.8
95.08604	39.9
95.09225	1.4
97.06540	4.1
97.10178	19.8
99.08062	2.4
105.07030	31.5
107.04951	7.8
107.08594	28.2
109.06513	6.6
109.10158	27.1
111.08076	3.8
114.68600	1.4
115.05496	2.2
117.07036	14.9
119.08574	32.1
119.09348	2.5
121.06504	9.0
121.10132	15.4
123.08045	3.9
123.11697	9.0
125.09622	14.4
129.07018	10.7
131.08566	23.4
133.06512	2.9
133.10132	21.4
135.08052	6.4
135.11720	12.2
137.09634	3.2
141.07043	1.3
142.07751	1.7
143.08572	8.4
145.06448	1.9
145.10114	16.9
147.08047	2.8
147.11682	11.1
149.09605	5.8
149.13281	6.3
151.11217	2.9
153.09094	1.7
155.08571	4.8
157.10103	8.1
159.08063	1.8
159.11693	14.5
161.09607	3.4
161.13217	7.2
163.11160	3.0
163.14835	4.0
165.12807	1.6
169.10161	5.8
171.11624	7.0
173.09654	2.8
173.13243	8.8
175.11221	3.0
175.14847	3.0
177.12764	2.0
177.16339	1.8
181.10185	1.7
183.11778	2.7
185.13315	7.4
187.13297	1.8
187.14853	5.8
189.11208	11.8
193.12291	8.2
195.11691	1.7
197.13342	3.5
199.14853	3.1
201.16437	2.7
207.13831	1.9
210.92909	1.8
211.13316	3.7
211.15047	1.8
213.16591	2.0
221.15407	2.0
225.16272	1.6
227.12756	15.7
227.14555	1.5
233.15326	2.4
238.18506	1.5
243.21315	1.9
247.16963	2.2
257.48618	1.3
259.20566	1.7
261.18579	2.0
261.19501	2.1
261.22180	11.4
267.15884	20.1
273.18652	2.5
273.21912	1.8
277.21878	1.8
279.23242	3.1
285.22159	5.0
287.20242	2.2
301.22107	2.9
301.25253	20.7
303.23215	2.1
317.24551	2.4
327.23053	2.0
335.25763	11.8
359.26038	2.5
417.25967	2.3
417.31415	2.6
421.25818	4.0
435.27460	2.2
435.32581	7.5
453.33664	12.5
471.34695	12.4
509.35876	3.5
527.37347	55.8
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31406	0.4
56.96555	0.5
63.46532	0.4
67.05508	0.5
69.03395	0.6
69.07054	0.8
69.83056	1.9
69.83481	0.7
91.05481	0.6
93.07063	0.6
95.08602	0.7
97.06562	0.7
105.07041	0.5
109.10219	0.5
127.56994	0.4
133.10110	0.5
139.78258	0.5
153.01808	0.6
203.03392	0.9
229.04976	1.5
257.04443	24.5
258.05243	12.2
285.04077	0.6
286.04712	29.2
287.05475	11.0
297.07385	0.5
327.18344	0.4
383.11230	100.0
384.11435	0.7
413.27017	0.4
448.09668	1.0
545.15509	2.0
545.31226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.05505	2.7
56.36420	0.6
56.96565	27.4
57.03445	0.9
67.05513	1.5
69.03446	2.0
69.07088	0.9
70.74597	1.6
71.95283	1.2
73.02898	0.6
74.97643	1.4
79.05510	1.4
81.03428	1.1
81.07063	2.5
83.04992	0.7
84.96027	4.5
85.02927	2.0
86.09749	0.9
87.04449	0.5
89.06049	1.0
91.05511	2.4
93.07056	1.9
95.04967	1.3
95.08629	2.0
97.02907	1.3
97.06535	1.4
97.96836	2.1
98.97583	39.0
102.97083	1.0
103.90665	0.6
105.07033	8.5
107.04976	0.6
107.08603	1.3
109.06501	0.8
109.10220	0.6
110.97566	3.8
111.08070	0.6
112.99162	1.0
115.05499	1.1
115.97846	1.7
116.98621	40.4
117.07051	1.7
119.08611	1.7
121.10155	1.1
123.08060	0.6
127.03916	0.8
128.06223	17.5
128.98613	10.6
129.06998	10.3
131.00166	1.5
131.08565	5.9
133.98853	1.1
134.99661	25.8
135.11745	0.8
136.92236	0.8
140.00171	2.7
140.98724	0.7
141.06950	3.8
142.07790	8.8
143.00188	2.3
143.08559	59.4
144.09352	2.1
145.06480	1.0
145.10146	1.6
146.99649	15.6
149.01237	1.9
152.98651	0.7
153.00728	3.0
153.01822	17.6
153.05858	0.6
153.07047	2.0
154.93279	0.9
155.06070	0.8
155.08549	5.0
156.09361	3.3
157.10132	19.4
158.01320	2.2
158.99660	8.2
159.08069	0.8
159.11696	10.2
161.01208	5.6
161.06065	0.7
162.99139	0.9
165.00687	3.0
165.07027	0.8
167.08577	0.8
168.09320	4.9
169.10118	1.3
170.10893	3.1
170.99664	4.4
172.94261	5.7
173.06139	0.6
177.00722	16.6
179.02235	1.4
181.10179	1.6
182.99632	0.6
183.11693	10.3
185.13257	58.0
186.13620	0.7
187.07573	4.9
189.00703	7.5
189.05518	1.7
190.95343	11.0
193.10191	2.1
195.01778	2.7
200.02383	1.2
201.00723	3.1
207.01715	0.7
211.11243	3.2
212.02400	0.7
213.00737	0.7
214.95332	9.4
219.01781	15.1
226.95395	2.3
229.12297	2.3
231.06970	1.6
232.96375	4.9
237.02815	37.8
238.95453	0.9
240.97009	1.2
241.08992	0.8
242.03416	1.4
243.70860	0.6
244.96437	6.7
245.08501	1.4
246.91084	0.6
255.03931	4.3
255.06764	1.3
256.96371	4.4
257.04523	2.0
257.08493	3.7
259.10095	3.8
260.02075	5.3
260.04550	1.8
261.08124	0.8
262.97397	1.3
263.09622	2.3
267.06802	0.7
270.05447	0.7
273.04428	0.6
273.07977	2.4
274.97458	16.0
275.06616	0.8
275.09509	6.5
277.07449	0.5
277.11111	3.2
278.03119	4.6
282.05328	3.5
283.06146	1.1
285.07965	4.1
286.04800	1.0
287.05792	2.2
289.07465	1.6
291.06000	0.7
291.08920	2.9
292.98526	2.1
293.01773	1.4
293.10614	2.4
297.99136	1.4
298.97430	1.6
299.09207	0.6
301.11270	2.3
303.09027	10.9
309.10132	1.4
310.04703	1.0
311.05496	22.2
311.08459	0.8
316.98520	31.2
317.10648	1.7
319.08646	0.7
319.12061	0.9
321.10141	12.1
323.02777	3.1
327.08902	3.0
334.99545	49.8
339.08380	9.5
339.99985	0.8
345.10101	4.6
353.00616	0.7
355.11658	0.9
358.01154	7.3
359.11496	0.9
363.11081	1.6
365.03677	4.8
373.06177	1.4
383.04794	12.1
383.11243	100.0
401.05606	1.6
402.98380	0.9
406.06323	1.8
419.07135	0.7
419.13715	0.9
435.13165	0.8
437.14697	2.5
465.14291	16.3
483.15369	6.3
501.10840	1.4
506.17319	0.8
517.10571	33.0
518.10504	0.7
535.11450	0.9
545.09827	20.0
545.16388	1.6
545.32965	10.2
558.13300	0.8
563.11035	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01857	5.5
55.05266	2.1
55.05510	29.7
57.03420	4.3
57.07056	3.0
59.05024	1.6
65.03929	3.1
65.23743	1.6
67.05504	42.1
69.03428	2.0
69.07068	12.6
71.04975	3.3
79.05059	2.3
79.05491	34.4
81.03433	8.6
81.07054	34.6
82.50192	1.4
83.04990	9.7
83.08625	14.5
84.42957	1.3
86.13638	1.7
91.05477	28.5
93.07046	30.8
95.04969	11.9
95.08597	26.7
97.06519	4.9
97.10169	16.3
104.10727	2.3
105.07032	28.5
107.04939	4.5
107.08595	21.9
109.06490	5.7
109.10160	15.1
111.04390	1.7
111.08076	3.7
115.05431	2.5
117.07023	15.6
119.08584	17.4
121.06505	3.1
121.10136	12.0
123.08078	3.4
123.11751	3.7
125.09635	11.8
129.06982	10.4
131.08560	24.2
133.06561	2.1
133.10126	15.3
135.08052	2.4
135.11662	10.3
141.06992	4.4
143.08560	11.2
145.06458	3.2
145.10107	17.7
147.08090	3.9
147.11665	8.6
149.09601	2.4
149.13225	4.4
153.12656	2.4
155.08517	4.0
157.10127	8.5
159.08086	2.5
159.11688	13.6
161.09628	2.3
161.13278	3.7
163.11166	9.4
167.08575	3.6
169.10159	6.2
171.11658	7.8
173.09644	3.3
173.13220	11.8
175.11288	2.3
175.14861	2.7
176.37180	1.5
181.10088	3.6
183.11717	5.1
183.32747	1.6
185.09544	1.9
185.13309	5.1
187.14894	4.4
189.11211	7.9
189.16185	1.5
191.10779	2.4
192.50198	1.7
193.12215	2.4
195.11656	2.5
197.13312	3.8
199.14847	4.5
201.12718	2.0
209.11757	2.0
211.14879	2.2
211.35214	1.7
213.16313	1.8
221.13272	2.1
223.14941	3.2
227.12701	8.5
243.21153	1.8
259.20566	1.9
261.22156	5.0
267.15820	2.1
271.24011	1.6
283.20551	1.9
297.22040	2.4
299.20688	2.4
299.23669	10.5
301.21393	2.7
310.75308	1.8
315.23224	1.9
317.25122	1.9
331.34384	1.8
333.24249	2.5
415.30273	2.7
423.32419	2.1
433.30930	5.8
451.32117	10.6
469.33200	8.8
487.34625	2.4
504.72186	2.0
525.35681	15.9
543.36816	100.0
544.37054	1.9
553.87848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03952	2.4
55.01876	2.9
55.05510	13.2
55.17658	1.1
57.03432	2.1
57.07072	3.0
62.84912	0.9
65.03930	2.1
67.05505	36.4
69.03421	1.5
69.07064	11.2
69.61958	5.8
69.62392	1.7
71.04980	3.4
79.05491	48.9
81.03410	3.0
81.07056	38.4
83.04965	4.4
83.08619	8.9
91.05481	19.6
93.07041	55.0
95.04972	10.1
95.08606	38.8
95.09225	1.3
97.02890	3.8
97.06538	2.6
97.10154	1.2
98.65123	1.0
99.04450	2.9
103.82387	0.9
105.07034	17.4
107.04958	7.7
107.08594	31.8
109.06550	3.3
109.10156	7.9
111.04475	1.4
111.08057	1.9
117.07016	12.1
119.08565	15.4
121.06492	4.3
121.10139	20.1
123.11715	1.0
125.05983	1.5
129.07039	1.3
130.07773	1.6
131.08577	6.6
133.10117	5.9
133.19302	1.0
135.08064	1.9
135.11690	42.7
139.07574	1.0
143.08568	1.4
145.10133	25.5
147.11705	2.7
149.13263	4.4
153.12737	1.4
158.44797	0.9
159.11714	2.2
161.13260	2.6
163.11171	52.3
173.13293	3.1
175.01671	1.2
175.14859	1.3
181.12212	13.9
209.11700	1.5
227.12778	100.0
243.21196	1.3
261.22101	5.9
277.21997	1.0
280.65610	1.0
299.23837	1.1
317.24692	1.8
525.35223	1.6
543.36816	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03938	4.3
55.01860	3.8
55.05513	20.1
57.03423	4.2
57.07069	2.2
65.03924	3.3
67.05505	41.1
69.03423	3.0
69.06721	1.1
69.07070	15.9
69.87190	1.4
69.87604	3.6
71.04975	3.0
73.02898	1.9
79.05492	58.0
81.03407	3.8
81.07058	41.1
83.04992	5.7
83.08619	10.9
85.06557	1.0
91.05477	27.6
93.07043	64.7
95.04963	13.8
95.08608	55.0
97.02882	3.7
97.06526	4.5
97.10171	4.0
99.04464	5.2
103.05456	1.3
105.07034	21.6
107.04942	8.2
107.08589	41.9
109.06511	4.2
109.10158	10.1
111.04446	1.6
111.08064	2.6
115.05461	1.8
116.06192	1.0
117.07009	16.1
119.08589	18.5
121.06490	6.6
121.10139	24.3
123.08096	1.5
123.11752	2.0
125.06010	2.3
125.09585	1.3
128.06223	1.1
129.07019	2.7
130.07784	2.3
131.08568	9.7
133.10135	9.6
135.08070	2.7
135.11690	50.7
137.09702	1.1
139.07544	1.5
139.11296	1.2
143.08549	2.5
145.10124	36.8
147.08052	1.7
147.11708	4.0
149.09572	1.4
149.13289	2.9
153.12764	1.5
155.08580	2.5
157.10072	1.7
159.11678	6.0
161.13275	3.2
163.11188	56.6
163.14806	1.4
169.10080	1.0
171.11711	2.5
173.13264	4.1
181.10641	1.2
181.12234	11.9
183.11772	1.7
185.13231	1.3
187.14862	2.0
191.10658	1.2
195.11694	1.7
197.13219	1.0
209.11708	2.9
227.12779	100.0
243.21053	1.7
261.22110	8.2
299.23837	1.2
317.24753	2.2
433.31076	1.9
444.90359	0.9
451.32117	2.8
469.32745	1.8
497.89630	1.1
525.35730	5.0
543.36804	68.5
548.22443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2207
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
56.96572	2.9
67.05499	0.5
69.03423	0.5
69.07076	0.5
70.06572	1.3
70.43247	1.8
72.08150	0.7
81.07073	0.5
84.96003	0.6
85.02904	0.8
86.09717	1.2
91.05446	0.6
95.04926	0.5
98.97570	3.5
105.07000	0.8
110.97588	1.4
113.50487	0.5
115.97822	0.8
116.98611	2.7
119.08558	0.7
120.08072	1.1
124.80777	0.4
128.98595	2.0
131.00162	0.6
131.08701	0.5
134.99661	1.4
146.99628	2.1
158.99553	0.5
161.01221	0.7
177.00716	0.8
189.00652	1.1
204.74089	0.6
211.17033	0.5
213.07933	0.9
219.01775	2.1
235.10767	0.6
237.02798	7.6
238.05016	0.7
255.03931	0.7
267.12717	1.2
277.17792	0.5
285.13678	3.8
295.12213	0.6
303.14828	1.1
309.13669	4.8
313.12823	0.6
327.14890	1.3
351.14612	0.5
411.16925	7.2
429.17950	6.8
457.23822	1.2
499.24887	1.1
543.21948	100.0
544.22156	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.4
53.03940	3.7
55.01874	4.1
55.05510	17.8
57.03437	3.9
57.07090	1.9
59.64943	0.9
65.03941	1.7
67.05505	43.3
69.03429	2.5
69.07068	11.6
71.04984	2.4
73.02935	1.2
79.05492	50.5
81.03413	3.3
81.07056	40.0
83.04984	3.3
83.08621	9.9
85.06557	1.3
91.05479	26.0
93.07042	57.7
95.04975	12.0
95.08605	48.9
97.02908	4.4
97.06532	4.9
97.10171	2.6
98.20706	1.9
99.04462	3.5
103.05482	1.2
105.04526	1.4
105.07034	18.8
107.04954	7.3
107.08594	40.2
109.06532	3.6
109.10162	10.4
111.04466	1.6
111.08098	1.4
115.05447	1.4
117.07006	13.9
119.08578	16.7
121.06519	5.0
121.10141	21.6
123.11735	1.1
125.06001	2.4
125.09652	1.1
128.06186	1.2
129.07024	2.0
129.53098	0.8
130.07802	2.7
131.08583	7.9
133.10123	8.9
135.08083	2.7
135.11691	49.2
137.09656	1.1
139.07535	1.8
143.08563	3.3
145.06512	1.3
145.10118	29.7
147.11748	3.9
149.09671	0.9
149.13292	3.3
151.11298	1.0
151.61176	0.8
153.12704	1.9
155.08580	0.8
157.10123	1.9
159.11697	4.9
161.09612	1.1
161.13318	3.2
163.11176	53.3
163.14810	1.6
169.10178	1.2
171.11754	1.6
173.09636	1.1
173.13281	4.0
175.14839	1.1
181.12231	14.6
183.11664	0.8
187.14897	1.9
199.14861	1.3
209.11804	2.3
220.52330	0.8
227.12781	100.0
228.13228	1.2
229.55966	1.0
243.21115	2.5
256.92313	0.8
261.22049	7.5
277.21722	1.0
283.15549	1.1
317.24884	1.9
433.30911	1.1
451.31955	1.9
469.33279	1.9
525.35675	2.8
543.36829	62.4
544.37329	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79512	0.8
53.03939	3.2
55.01861	3.9
56.05025	0.9
57.03428	1.6
57.65762	0.8
58.18154	1.0
61.02920	2.6
63.69859	0.8
68.99789	1.4
69.03432	15.3
69.42054	3.2
69.42480	5.1
70.06583	4.9
71.04984	2.4
73.02914	2.5
74.06065	1.2
79.05472	1.1
81.03421	12.4
84.08102	1.1
85.02903	34.5
86.09705	1.6
87.00827	10.8
87.04470	1.9
88.25671	0.8
91.05461	2.0
93.07023	1.3
95.04952	1.5
95.08592	1.4
97.02888	9.9
98.97595	1.6
99.04444	6.8
103.03985	0.9
105.01881	8.9
105.07024	8.7
107.04963	1.5
107.08566	1.3
109.02878	12.2
109.06503	3.2
116.07081	2.7
117.01787	1.4
119.08549	3.2
121.06460	1.3
123.04436	1.2
123.08034	2.3
127.03081	1.4
127.03923	16.8
128.06218	2.8
128.33417	0.9
129.01775	1.4
129.06982	1.4
131.08549	3.9
133.06482	2.3
133.10095	2.2
135.08073	2.1
136.07562	6.9
141.06985	1.8
142.07776	2.1
143.08569	11.6
144.05592	1.0
145.04977	6.7
145.06470	3.8
147.08046	3.6
151.07474	0.8
157.10114	4.7
159.02892	5.6
159.08043	10.2
161.05949	1.0
161.09610	11.8
162.06706	1.2
163.07504	2.6
165.09073	1.6
167.08606	1.0
170.07228	2.0
171.08022	7.8
173.06018	1.3
173.09557	1.1
175.07480	1.9
175.11125	1.7
179.10655	0.9
185.09619	8.4
187.07535	1.6
189.07372	1.8
189.09099	37.6
191.07048	1.5
198.06662	1.2
203.10646	3.7
205.08627	3.2
207.10088	2.2
213.09145	6.9
217.11888	1.0
231.05051	2.1
231.10065	11.1
249.11259	7.5
259.09641	2.8
267.07565	1.4
277.10715	1.5
295.11755	100.0
381.12543	1.4
463.14923	1.9
480.22827	1.0
526.59814	1.0
547.79767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28761	5.7
81.01936	0.6
95.91209	0.5
98.20688	1.3
102.22993	0.6
151.19456	0.6
156.42284	0.6
181.01906	0.6
329.49026	0.6
363.06934	2.5
381.07919	18.7
543.13239	100.0
544.13654	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27491	0.8
52.97208	0.8
56.96568	1.0
71.05078	1.6
71.05418	1.0
71.36349	0.8
86.09676	1.5
95.56648	0.8
98.97597	2.1
103.76734	1.0
110.97583	0.9
112.99153	0.9
116.98641	1.9
119.70771	0.9
128.98625	0.9
131.00175	4.9
146.99648	1.4
149.01237	2.5
158.99643	1.0
168.06554	0.8
171.04988	1.1
176.54692	1.0
177.00819	0.9
189.00766	1.7
191.02361	0.8
219.01788	2.2
231.07249	1.5
234.93811	0.8
237.02968	4.1
245.05090	1.8
255.04001	0.9
264.54715	0.9
291.09335	0.9
321.10364	4.6
337.08273	2.6
339.11322	1.6
351.11536	1.2
355.09116	3.4
363.06729	2.0
381.07956	17.3
394.97589	0.9
449.37982	1.0
453.09488	0.8
511.09131	0.9
543.13220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	22.2
61.33937	2.9
69.99461	15.4
82.00117	3.0
84.96053	7.9
86.32707	3.0
98.97580	25.1
100.11252	5.2
110.65166	3.2
110.97575	5.7
116.98632	32.3
125.29574	3.0
125.77219	3.1
128.98611	18.2
130.25813	3.2
134.99663	27.4
143.00203	6.4
146.99672	25.8
149.01309	3.6
151.51945	3.1
153.00758	3.7
158.99657	4.1
161.01241	17.4
162.99117	3.9
165.00748	4.5
177.00732	11.6
179.02301	8.6
189.00743	9.4
201.00763	3.9
211.02739	4.6
219.01793	29.3
227.02304	2.9
237.00645	6.3
237.02809	62.4
254.40813	2.9
255.01726	11.3
255.03990	7.4
273.02823	24.8
287.02493	2.9
381.04703	27.1
399.05991	100.0
417.07556	3.4
543.11304	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47042	0.6
66.97777	0.6
70.61848	2.2
72.66467	0.7
74.13011	0.6
84.82957	0.6
118.75420	0.6
159.53096	0.6
181.01901	0.6
231.17021	0.7
249.60179	0.7
363.06927	5.5
381.07928	11.1
543.13202	100.0
544.13519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
56.38432	0.5
56.96576	0.8
57.03427	1.2
59.35320	0.6
61.02898	0.9
69.03421	2.6
69.33224	5.6
70.06592	8.1
72.08146	2.6
73.02914	0.6
73.08829	0.5
79.05491	1.4
81.03402	1.4
81.07072	1.2
84.04497	1.7
84.08144	1.6
85.02911	5.5
85.49017	0.7
86.09692	3.9
91.05479	6.5
93.07037	0.9
94.04176	2.0
95.04957	0.7
95.08624	0.6
97.02892	1.8
98.97561	1.0
103.05464	6.0
105.07015	4.0
106.04138	0.6
107.04933	1.8
108.08126	1.0
109.02905	1.1
109.06502	1.1
110.07140	0.6
114.09213	0.7
115.05431	0.9
116.98663	0.7
117.07050	1.4
119.04937	1.1
119.95513	0.6
120.08105	1.5
121.06489	3.6
122.03656	4.7
123.04439	0.6
127.03899	0.8
128.06206	0.8
129.07057	0.9
131.04936	7.9
133.06494	17.2
135.08047	5.7
136.07526	1.3
137.05977	100.0
138.06317	0.9
138.09120	0.9
143.08553	2.0
145.04932	1.0
145.06487	3.8
147.04428	0.7
147.08005	1.6
149.05984	1.4
151.03914	1.3
151.07541	5.0
152.04114	0.7
156.12216	0.7
157.06514	2.2
163.07544	27.8
165.09193	0.8
166.08652	1.7
167.07022	0.8
171.06792	0.7
171.08066	2.5
174.06760	1.4
175.07581	1.7
177.05325	0.6
177.09090	1.2
179.07040	0.8
188.08374	0.9
189.09117	3.9
191.10658	0.8
193.08585	0.8
194.97224	0.6
203.10641	3.9
209.08171	1.1
211.06941	0.7
211.09688	2.1
221.11609	1.0
235.11189	0.9
245.11404	2.4
263.10657	1.8
278.14890	1.4
286.17319	0.7
295.13300	15.0
327.15900	20.5
345.17163	1.4
359.12613	0.9
492.17688	1.1
539.59949	0.6
542.22791	5.0
547.15375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01872	3.2
55.05508	23.4
57.03429	1.9
57.07066	5.1
59.99034	1.3
65.03930	5.9
67.05502	86.0
67.96526	1.4
69.03416	1.9
69.07063	19.3
70.06598	2.0
70.20239	6.8
71.04979	1.8
71.08639	1.4
72.53545	1.4
76.09798	1.3
77.03928	3.4
79.05489	100.0
81.03424	10.1
81.07054	77.0
83.04987	10.1
83.08615	13.0
83.08985	1.2
85.06539	3.3
88.07625	3.1
91.04886	2.6
91.05475	71.5
93.07040	96.4
95.04966	25.3
95.08604	48.3
95.09217	2.2
97.02860	1.9
97.06544	5.5
97.10167	5.6
102.09194	1.7
103.05445	2.6
105.04541	3.2
105.07027	50.9
107.04975	6.2
107.08584	38.1
109.06556	7.0
109.10139	15.5
115.05457	2.0
116.31129	1.3
117.07023	12.8
119.08575	29.7
121.06524	3.5
121.10137	22.9
123.08083	6.2
123.11719	3.6
127.07565	1.7
128.06198	2.6
129.06993	14.8
131.08554	14.6
133.10123	13.7
135.08089	1.6
135.11682	12.4
137.25822	1.4
143.08594	9.5
145.10115	13.7
147.08037	3.0
147.11688	37.9
149.13290	4.6
151.11215	1.7
157.10208	3.1
159.11691	6.8
161.09712	4.5
161.13246	14.8
169.10173	3.3
171.11682	28.6
171.13103	1.8
173.13219	2.5
177.12730	1.8
179.14299	1.6
187.14751	2.6
189.12738	10.0
207.13794	28.7
207.15767	2.4
225.14717	1.6
243.20988	2.4
256.26437	3.4
257.26587	2.6
261.22205	4.4
281.17679	2.0
291.89221	1.8
311.29440	3.5
312.29892	3.4
317.24762	2.5
449.34534	4.3
540.53387	3.4
541.38959	92.9
541.52618	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.05513	25.5
57.07068	9.9
61.63324	2.6
65.03934	5.5
67.05500	72.2
69.07067	15.1
70.06586	8.5
70.66925	5.9
71.04993	3.8
71.08620	6.9
71.08987	3.0
79.05489	83.3
81.03390	5.5
81.07051	60.2
83.04979	10.1
83.08618	11.9
88.07624	8.7
91.04965	3.9
91.05480	47.5
93.07040	75.2
95.04971	24.0
95.08595	37.5
97.06516	4.0
97.10172	4.6
102.09210	6.8
105.07028	38.9
107.04940	5.4
107.08585	23.7
109.06509	5.1
109.10158	11.1
112.88641	3.2
117.07011	11.8
119.08566	23.7
121.06503	2.9
121.10136	21.2
123.08102	5.4
128.62077	2.9
129.06984	15.3
131.08589	9.7
133.10150	11.0
135.11708	11.0
136.61668	2.8
143.08580	8.6
145.10143	12.0
147.11685	27.3
149.13339	4.3
155.08540	3.8
158.98018	2.5
159.11684	4.1
161.09688	2.9
161.13235	15.7
169.10185	3.1
171.11661	24.5
189.12794	8.0
189.22546	2.9
205.93639	3.2
207.13773	25.3
256.26422	16.1
257.26773	6.5
261.22076	4.7
283.26471	4.0
311.29413	12.0
312.29733	5.0
407.95331	3.0
451.77145	3.4
505.43921	3.9
540.53235	19.8
541.38947	100.0
541.53693	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	541.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42370	0.5
58.06345	0.7
58.06602	7.6
60.04516	1.9
67.05501	1.3
69.07053	1.0
69.29949	0.9
69.30353	4.8
72.04515	5.6
79.05505	1.2
81.07050	1.7
91.05477	2.6
93.07034	1.0
95.08604	1.1
98.09690	0.8
100.11255	100.0
101.11580	0.6
105.07025	1.1
107.04956	11.3
107.08606	0.7
119.04944	0.5
119.07339	1.1
119.08598	1.1
121.06510	2.1
121.10150	0.6
126.12840	0.5
128.06215	0.8
128.10710	19.0
128.11661	1.1
131.59203	0.5
133.10170	0.7
135.11632	0.7
136.07567	1.6
137.86549	0.5
140.06985	0.5
143.08618	0.8
145.06491	0.8
150.09175	0.6
152.08183	0.7
153.13890	1.5
156.10222	4.8
159.08086	2.2
167.11893	0.7
169.13402	0.6
171.14912	4.0
173.09729	0.7
178.08716	1.0
181.08551	0.7
181.13380	0.9
188.10704	3.1
199.14406	9.0
214.12251	0.8
256.16977	0.7
269.95245	0.6
275.19989	1.0
284.84775	0.5
293.23349	0.5
295.20306	2.0
313.19141	0.8
315.20712	9.5
326.24414	10.9
342.09521	0.6
343.20200	3.8
368.23895	0.8
396.22827	15.5
396.27780	0.8
414.23834	3.7
439.25900	1.2
470.30301	4.7
472.37408	0.5
541.34070	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	541.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.6
55.01868	9.8
55.05511	26.8
56.96558	4.8
57.03433	7.6
57.07071	7.8
65.03945	3.5
67.05503	37.1
68.99774	7.0
69.03432	56.5
69.07072	30.9
70.82829	7.8
70.83192	5.2
71.04987	5.8
72.08141	2.9
73.02905	11.1
79.05492	24.8
81.02974	4.8
81.03420	49.1
81.06572	5.8
81.07053	97.2
83.04996	4.1
83.08624	19.6
84.05686	2.9
85.02906	100.0
85.03416	5.2
85.06539	19.1
87.00827	25.2
91.05492	19.6
93.07043	38.4
95.04967	12.4
95.08606	96.3
97.02880	35.6
97.06526	26.2
97.10171	12.3
98.06885	6.3
99.04460	20.2
99.08075	9.9
103.03961	3.1
105.01850	21.5
105.07018	26.3
107.04958	9.3
107.08594	31.5
109.02895	34.7
109.06525	8.1
109.10162	49.4
111.04467	6.1
111.08077	9.9
111.11678	7.3
115.03922	5.2
116.98637	3.0
117.07005	6.8
119.08572	21.5
121.06492	7.3
121.10104	21.9
123.11716	22.5
125.09627	6.1
127.03912	70.1
127.11130	4.5
128.06207	3.3
129.01860	3.4
129.05453	4.7
129.07005	6.7
131.08594	10.4
133.10074	15.3
135.08025	5.8
135.11711	17.1
137.13263	13.5
139.11176	3.6
143.08577	6.5
145.04962	19.5
145.10112	19.5
147.02933	6.2
147.08034	6.5
147.11670	10.8
149.13277	15.4
151.07454	3.0
151.11130	3.2
151.14806	11.6
155.08621	4.4
157.10039	7.5
159.02882	20.9
159.08069	6.5
159.11696	8.0
161.13246	6.6
162.02997	2.9
163.11156	3.8
163.14793	15.5
165.09161	4.4
169.10210	3.3
171.11723	6.3
173.09613	4.7
173.13254	7.6
175.14857	7.6
177.16414	4.1
181.10043	3.6
183.11671	4.4
185.09612	5.1
187.14891	4.3
189.03876	4.5
189.09023	6.7
189.16284	4.2
191.07027	5.6
192.07426	3.1
195.17059	3.2
197.13213	4.2
199.14873	5.4
203.17894	5.2
203.88667	3.2
213.16264	4.3
231.05016	13.1
257.79587	2.9
288.13220	7.4
291.26736	3.2
293.28400	11.9
311.15091	5.1
329.28485	3.7
331.15387	6.4
332.15610	5.4
359.29294	6.2
374.16638	9.5
377.30292	4.4
383.29489	15.5
401.30527	16.4
419.31641	5.7
437.32797	3.5
487.30328	7.2
505.31570	9.4
508.66858	3.3
523.32739	6.6
541.21722	6.4
541.28815	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	541.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.4
55.01868	11.6
55.05505	25.7
56.96564	5.2
57.03432	10.4
57.07067	6.8
61.02914	4.5
65.03937	3.6
67.05502	43.9
68.99778	7.2
69.03426	53.1
69.07066	46.4
70.06579	3.7
71.04983	9.3
71.18195	7.0
73.02915	8.1
79.05506	26.4
81.03413	50.6
81.07058	100.0
83.04977	4.8
83.08609	14.9
85.02902	77.3
85.06554	23.5
85.78360	3.2
87.00835	28.3
87.05583	12.6
91.05478	25.7
93.07043	35.8
95.04984	15.6
95.08608	91.8
97.02892	24.6
97.06504	22.1
97.10159	12.1
98.06868	6.2
99.04468	18.4
99.08098	15.4
105.01864	22.1
105.07040	30.6
105.22916	3.4
107.04955	8.5
107.08585	35.9
109.02879	34.7
109.06512	12.6
109.10148	53.1
111.04465	4.5
111.08067	15.0
111.11734	10.6
112.64845	2.8
113.09682	3.5
115.03913	4.2
117.07022	9.3
119.08574	22.3
121.06515	8.2
121.10162	19.8
123.08083	8.3
123.11734	23.0
125.09618	7.1
127.03912	64.4
128.06232	4.4
129.01886	6.0
129.07005	6.4
129.26996	3.0
131.08568	11.1
133.06552	4.0
133.10170	19.5
135.08017	8.0
135.11684	13.8
137.09622	4.8
137.13234	10.8
139.11165	4.4
142.07799	4.4
143.08562	11.7
145.04950	16.3
145.10138	21.9
147.08067	9.5
147.11679	14.0
148.88467	3.6
149.09630	7.3
149.13239	12.8
151.07579	3.7
151.14839	7.2
155.08525	5.4
157.10152	11.5
159.02930	12.6
159.08032	6.3
159.11693	15.3
161.13295	10.0
163.11186	3.8
163.14864	8.7
165.09212	4.0
165.16365	5.0
171.11711	9.4
173.09601	7.2
173.13177	8.4
175.11230	7.5
177.16444	6.3
181.10045	5.6
183.11729	7.9
185.09665	3.4
187.11252	5.4
189.03871	5.1
191.07088	4.2
197.13307	5.4
201.12674	4.1
231.05060	12.6
257.19025	4.2
275.20093	11.0
279.10461	9.8
288.13116	7.3
293.21002	11.4
293.28531	10.4
321.27939	4.2
374.16953	5.8
383.29514	12.3
401.30533	15.3
419.31223	6.6
505.31754	8.8
523.32147	4.4
541.29480	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	541.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16293	0.5
57.07073	0.9
67.05489	0.6
69.63683	0.6
70.06617	0.6
70.85229	1.3
70.85573	0.9
79.74134	0.6
81.07076	0.8
88.07594	0.9
93.07026	0.8
97.10165	0.7
203.05370	1.2
256.26340	1.2
264.97546	0.6
311.29572	1.4
312.29785	0.9
341.25049	0.7
540.53711	1.7
541.33453	100.0
541.53033	3.7
542.34052	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96712	2.4
52.55964	2.0
53.03937	8.0
55.01857	11.2
55.05510	26.3
56.96551	10.1
57.03427	6.5
57.07064	9.4
61.02916	5.7
67.05505	31.9
68.99782	4.8
69.03082	3.6
69.03423	46.0
69.06725	3.2
69.07068	50.3
69.34669	12.7
69.35099	12.6
71.04985	5.1
71.08605	3.6
73.02908	6.8
79.05479	21.9
81.03423	36.9
81.07054	93.7
82.07359	3.0
83.04977	6.9
83.08614	20.7
85.02901	68.8
85.06540	11.8
85.22563	2.6
86.09637	2.7
87.00826	24.4
87.04479	4.3
91.05476	16.8
93.07043	28.7
95.04958	13.3
95.08603	100.0
97.02897	27.1
97.06521	10.2
97.10169	16.4
98.79554	3.2
98.97585	7.4
99.04453	9.6
99.08090	7.5
105.01879	18.8
105.07035	22.5
107.04949	12.4
107.08591	38.0
109.02893	19.2
109.06493	8.6
109.10145	54.0
111.04435	7.9
111.08068	13.4
111.11713	16.3
112.99145	2.6
115.03912	16.1
116.98571	4.0
117.07024	6.6
119.08570	18.5
121.06483	6.7
121.10146	19.8
123.04405	6.0
123.08036	3.0
123.11707	33.0
125.09618	5.9
125.13255	5.0
127.03903	28.8
128.66185	2.8
129.01851	3.2
129.06987	6.5
131.08527	15.0
133.10121	17.7
135.08040	5.0
135.11703	17.3
137.05946	3.8
137.09567	4.4
137.13266	26.7
139.07436	2.9
139.11208	4.0
139.25018	2.7
141.09074	2.9
143.08534	10.2
145.04944	10.4
145.06310	2.3
145.10120	11.5
147.02855	4.2
147.08049	6.1
147.11662	10.2
149.05978	3.5
149.09554	4.8
149.13257	19.8
151.14819	3.2
153.09087	2.7
155.08472	4.0
156.09297	3.2
157.10097	7.8
159.02876	9.9
159.07982	4.2
159.11694	9.8
161.04442	5.5
161.09634	5.0
161.13263	8.2
161.90157	2.5
163.14786	10.1
165.09087	5.2
165.16354	2.7
171.11667	11.7
173.13281	6.8
175.14847	4.2
177.00740	5.1
177.02184	2.6
177.16362	4.4
181.10039	3.4
183.11711	3.5
185.09630	2.5
185.13290	3.8
187.14799	4.2
189.03915	3.4
189.16333	4.6
191.10703	3.4
191.17969	3.6
195.11687	3.4
199.11237	4.0
201.04004	2.7
217.12115	5.4
219.04907	6.2
231.05038	7.1
237.02873	3.1
247.04437	4.4
277.28784	2.6
291.26834	5.8
293.28406	7.3
317.28384	7.9
362.56360	2.9
365.28177	3.1
383.29315	13.4
401.30594	12.3
419.31430	4.9
455.23068	8.5
487.30573	13.2
505.31079	6.5
523.32355	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	541.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.0
55.05508	22.5
56.96557	14.7
57.03443	10.3
57.07059	9.6
57.37690	8.0
62.75285	7.6
67.05494	46.8
69.03423	34.7
69.07061	28.8
71.04989	17.3
71.60103	12.8
72.08159	12.2
79.05494	40.0
81.03398	24.6
81.07050	78.1
83.08634	9.7
85.02892	45.1
85.06536	27.7
86.09715	22.4
87.00844	17.8
91.05510	38.2
92.00695	7.8
93.07041	72.4
95.04953	23.7
95.08593	64.3
97.02908	14.8
97.06522	27.7
99.04437	15.9
99.08079	14.7
101.05978	10.3
105.01900	11.7
105.07042	66.0
107.04942	39.9
107.08578	79.1
109.02888	21.6
109.06526	19.1
109.10147	34.6
111.08094	12.0
113.09673	14.7
117.06984	14.2
119.08578	60.5
119.97775	8.2
120.08112	12.4
121.06483	22.3
121.10159	58.9
123.08078	54.8
123.11697	23.4
125.09638	18.1
127.03915	28.7
129.06990	13.7
130.00574	8.1
131.08577	38.2
133.10141	47.0
135.08060	83.9
135.11693	20.7
137.09622	39.9
143.08548	22.0
145.04916	12.5
145.06583	8.9
145.10136	33.0
147.11707	21.4
148.04160	9.1
148.72026	8.1
149.01222	13.9
149.09612	31.1
149.13272	11.0
157.10106	18.7
159.11708	28.8
161.09688	12.3
161.13284	18.4
163.11205	24.1
165.09094	61.9
166.07715	8.2
169.10086	9.7
171.11728	17.8
173.09604	10.5
173.13258	33.3
175.11151	14.3
175.14769	11.2
177.00626	11.7
181.10085	19.6
183.11620	10.5
185.45271	7.5
186.88326	7.5
187.11203	12.0
187.14841	12.4
189.12770	9.3
191.10684	9.5
191.14346	9.3
199.14842	12.0
201.12762	11.7
207.13817	7.7
207.94922	7.9
215.17909	10.4
233.18864	19.6
237.02892	13.8
245.10538	14.0
257.19058	23.4
263.19971	24.1
275.20035	99.9
291.57111	8.5
293.13663	9.9
293.21094	100.0
336.33078	10.1
365.69202	8.6
477.23093	8.2
541.21741	12.7
541.30231	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25953	4.5
53.03932	7.3
54.61482	4.2
55.01859	8.8
55.05505	22.0
57.03431	6.2
57.07047	6.6
67.05505	35.0
68.99775	4.7
69.03424	53.0
69.07062	25.5
70.03889	18.4
71.04986	8.9
72.26150	4.2
74.68568	4.1
79.05493	26.9
79.29102	4.3
81.03418	31.3
81.07056	100.0
83.04979	20.0
83.08610	11.9
85.02911	62.3
85.06518	14.1
87.00811	14.3
91.05482	22.5
93.07036	35.8
95.04951	11.6
95.08602	55.1
97.02885	23.1
97.06532	8.7
97.10169	14.9
99.04459	9.9
99.08080	6.4
100.45602	3.9
101.05982	4.8
105.01828	15.2
105.07016	29.4
107.04955	75.6
107.08581	40.0
109.02874	16.0
109.06535	11.1
109.10164	28.5
111.08076	4.6
113.09626	9.0
115.03925	5.0
116.98624	3.9
117.07004	9.4
119.08540	27.2
121.06477	16.2
121.10116	45.6
123.08008	6.0
123.11674	29.6
125.09612	17.8
127.03917	36.5
129.06996	7.4
131.08557	16.4
133.10118	26.1
135.08046	96.7
135.11662	9.4
137.09628	25.3
139.11171	11.3
141.06917	4.6
143.08539	18.2
145.04938	11.2
145.10170	22.9
147.11668	12.3
149.09625	52.2
149.13228	8.7
151.11238	5.8
153.09053	19.1
155.08533	6.6
157.10129	13.2
159.02808	8.0
159.08069	12.5
159.11678	15.3
161.06085	4.4
161.09531	6.7
161.13263	11.7
163.03886	4.8
163.11238	8.2
163.14799	6.3
166.07710	9.4
167.08510	5.3
169.10098	11.5
171.08070	4.1
171.11679	18.2
173.09608	5.4
173.13237	11.5
175.11235	6.5
181.10043	22.1
183.11745	8.0
187.11165	6.6
187.14857	8.2
189.12717	7.2
191.06972	5.5
195.11707	6.9
197.09631	8.6
199.11136	6.1
199.14793	11.2
201.12720	7.2
205.15913	10.6
207.13631	5.3
213.03897	4.6
215.17746	4.8
227.10699	4.9
228.81482	4.1
229.19521	7.9
231.04973	8.6
233.15430	6.4
239.17970	7.0
247.20656	8.0
257.18954	21.8
275.20026	82.4
276.41809	4.2
293.21100	59.9
322.17963	4.5
401.30624	5.0
519.57922	4.9
541.19562	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	541.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61061	0.2
56.96556	0.5
58.06573	0.3
67.05480	0.3
70.06596	1.2
72.08154	0.5
72.24355	0.3
81.03408	0.3
81.07066	0.5
84.04485	0.3
84.08131	0.5
85.02898	0.6
86.09692	0.4
91.05476	0.5
93.06999	0.4
95.08607	0.5
97.02876	0.4
98.97607	0.9
116.98609	0.5
121.10138	0.4
127.03790	0.4
134.99641	0.5
135.07993	0.3
137.05936	0.3
137.09540	0.3
147.11819	0.3
157.19913	0.2
163.03842	0.5
163.07608	0.4
177.00716	0.4
203.03940	0.3
229.12016	2.1
237.02849	0.5
263.53864	0.3
275.07422	0.5
293.09180	1.2
333.07974	0.8
335.09503	6.7
377.11227	0.4
379.09799	0.4
396.04163	0.3
409.18210	1.1
451.19656	0.6
473.60211	0.3
541.22559	100.0
542.22925	3.1
552.07916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68276	0.4
56.05027	0.5
57.57752	0.3
59.88567	0.3
69.03436	0.7
69.07078	0.4
69.98972	1.8
70.06599	2.7
71.56196	0.4
72.08150	0.8
79.05506	0.3
81.03422	0.4
83.06087	0.5
83.27412	0.3
84.04511	0.3
84.08144	1.3
85.02902	1.1
86.09709	0.7
91.05466	0.3
92.58689	0.3
97.02912	0.7
98.21422	0.4
100.07617	3.8
101.07939	0.4
105.07029	0.6
113.26026	0.4
119.01927	0.4
121.10110	0.5
127.03973	0.4
128.07080	6.1
129.07468	1.7
129.10255	0.6
133.06502	0.8
133.32053	0.4
137.06012	0.5
147.11742	0.6
149.09608	0.8
161.05988	1.1
172.15550	0.4
185.09283	0.4
187.11272	0.4
193.08694	0.6
201.99153	0.4
203.04070	0.5
265.12823	0.5
270.13342	0.4
275.06320	0.4
333.18555	0.4
335.09540	2.1
378.18906	1.7
379.19327	4.8
409.17447	2.3
479.13681	0.5
541.22571	100.0
542.22693	2.1
564.54913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01862	7.5
55.05514	19.5
56.96534	2.6
57.03438	5.0
57.07065	6.7
58.99903	2.2
59.05000	4.0
61.02921	3.0
65.03935	3.4
67.05496	26.9
68.17345	2.1
68.99803	2.5
69.03426	36.2
69.07067	17.9
71.04990	12.0
71.42693	4.0
73.02922	2.9
79.05498	20.1
81.03429	18.6
81.07058	52.1
81.39530	2.1
81.77665	2.3
83.04973	4.9
83.08613	9.9
85.02899	43.6
85.06548	15.6
87.00824	10.2
91.05487	21.4
93.07049	44.0
95.04951	7.8
95.08040	4.1
95.08598	50.2
97.02910	13.1
97.06528	18.1
97.10153	8.9
98.97665	2.6
99.04452	11.1
100.11266	2.9
102.96431	2.1
105.01875	9.3
105.07022	34.4
107.04954	26.4
107.08595	57.8
109.02908	11.8
109.06508	16.6
109.10168	27.8
111.08068	7.9
113.09642	9.4
115.05405	2.6
116.98650	3.1
117.07017	4.3
119.08575	46.8
121.06527	22.0
121.10149	46.1
123.08065	54.1
123.11719	18.6
125.09633	11.2
127.03903	21.6
129.01843	2.5
129.06961	2.3
131.00153	2.3
131.08556	18.0
133.10143	30.1
135.08044	67.7
135.11661	16.5
137.09590	30.5
137.13248	3.3
139.11174	7.7
142.07762	4.9
143.08553	8.0
144.09358	5.1
145.04962	5.9
145.06480	3.9
145.10130	25.5
147.08038	8.6
147.11707	20.3
147.53534	2.1
149.01236	2.9
149.09613	22.4
149.13260	8.1
151.11177	2.1
153.09105	4.1
153.12921	2.3
155.08597	4.5
156.09338	2.4
157.10132	13.3
159.02913	4.6
159.08014	8.6
159.11687	24.4
161.09634	11.9
161.13243	9.4
163.11186	25.9
163.14766	2.6
165.06990	4.7
165.09102	51.8
166.07828	5.4
167.10683	8.9
169.10101	5.6
171.11702	10.1
173.09595	6.6
173.13278	23.4
175.11169	14.8
175.14838	12.7
177.09181	3.4
181.10129	15.4
183.11646	3.8
185.13347	3.4
187.11200	8.2
187.14806	8.8
189.12794	3.5
193.12273	2.7
197.13219	5.7
199.14868	12.7
201.12791	7.7
203.14355	2.9
205.12219	3.5
215.14317	7.5
215.17863	11.7
217.15919	5.7
227.10789	3.4
229.19502	5.6
231.05055	4.3
233.15337	7.3
233.18956	23.4
239.17883	5.0
245.10300	4.6
245.18973	7.3
253.10945	4.2
257.19012	30.2
263.20023	31.3
271.12173	3.0
275.20047	100.0
283.45651	2.7
288.12756	2.9
293.21103	93.0
341.22382	2.4
350.22696	3.2
359.23285	15.3
359.73199	3.4
497.21973	3.2
523.28534	3.6
541.20618	14.4
541.29333	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	540.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01865	2.7
55.05514	11.6
57.03426	5.3
67.05167	2.4
67.05502	22.8
67.66713	1.5
69.03429	14.7
69.07068	10.2
71.04996	8.9
71.59879	2.7
79.05484	15.7
81.03417	27.8
81.07054	46.2
83.04984	10.3
83.08613	9.7
85.02907	10.2
85.06540	5.6
89.03057	1.7
91.05471	21.8
93.07047	19.7
95.04971	9.8
95.08604	45.4
97.02903	11.1
97.06532	13.0
97.10153	5.2
98.25581	1.6
99.04462	4.9
99.08082	6.2
100.52962	1.6
103.05444	1.8
105.07030	24.0
105.91572	1.7
107.04949	4.2
107.08595	11.3
109.02866	12.7
109.06506	6.6
109.10172	10.8
111.04462	2.7
111.08085	3.8
117.07030	5.9
119.04933	5.9
119.08578	24.6
121.06490	5.8
121.10146	9.2
123.04417	2.0
123.08055	5.7
123.11671	2.0
125.06004	2.1
125.09624	3.5
127.03912	24.9
129.06981	2.5
131.08560	6.0
133.06483	3.0
133.10121	17.4
135.08086	3.9
135.11713	7.8
137.09602	2.6
137.13289	5.4
139.07576	2.2
143.08542	2.9
145.10103	2.4
147.04414	22.2
147.08086	1.8
147.11722	2.4
149.09628	2.6
149.13239	3.5
151.07552	13.8
155.08635	1.8
157.01131	2.0
157.10127	3.3
159.08066	2.7
159.11673	4.5
161.13258	29.2
173.09572	2.0
173.11816	3.5
173.13263	4.1
175.11238	2.1
177.12758	2.3
179.14326	27.1
185.13174	1.9
195.13713	1.8
197.15372	7.6
207.13852	3.6
209.15343	1.8
219.13792	2.0
221.15364	2.2
225.14882	6.3
232.11105	1.8
237.14850	9.1
239.16473	4.5
251.16438	2.0
263.16281	4.5
269.15631	2.7
272.32980	1.8
275.16452	2.9
277.17996	4.8
287.16412	14.8
293.17398	3.7
305.17447	33.2
323.18533	100.0
341.19601	35.8
359.20447	2.7
436.16452	2.1
492.49133	1.7
508.21420	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.92935	0.7
55.01871	1.6
55.05505	2.8
56.96556	0.7
57.03419	2.4
57.07050	0.7
61.02928	1.4
65.31738	0.6
67.05501	5.8
69.03431	4.7
69.07074	4.3
70.06576	0.8
70.51432	2.5
71.04993	5.8
73.02892	1.6
73.89056	0.7
79.05486	3.1
81.03410	5.2
81.07056	15.1
83.08625	4.2
85.02905	15.1
85.06526	4.7
86.09694	2.5
87.00821	5.2
87.04504	0.8
91.05475	4.3
93.07051	4.7
95.04964	1.6
95.08610	23.2
97.02903	5.1
97.06541	8.9
97.10155	1.7
99.04445	2.5
99.08119	3.4
105.01859	5.5
105.07022	6.1
107.04984	1.3
107.08588	2.4
109.02901	4.9
109.06518	0.9
109.10158	1.8
111.08088	2.0
113.09612	1.7
117.01826	1.0
119.08581	9.2
120.08095	2.8
121.10182	3.6
123.08088	1.9
127.03915	10.5
131.08533	0.6
133.10132	9.1
135.11732	5.4
137.09567	1.2
137.13251	4.7
145.04947	2.4
145.10147	0.7
147.04459	0.8
149.75923	0.7
151.11230	1.1
159.02887	1.7
160.87152	0.7
161.13254	32.1
179.14310	25.5
197.15364	27.4
204.10789	0.9
213.03915	1.1
215.16428	100.0
231.04997	2.4
262.11984	1.4
271.04514	0.7
275.18668	1.4
291.15628	2.3
292.15997	4.9
391.95422	0.7
471.62582	0.8
496.22205	1.5
522.20245	1.0
540.21643	4.6
540.28375	1.1
565.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
55.05497	3.8
56.96563	4.2
57.03428	3.5
57.53280	2.0
57.73828	1.8
61.30085	2.0
67.05505	4.1
69.03410	6.0
69.07069	2.7
70.06590	10.7
70.73528	3.7
71.04990	5.1
72.08165	2.4
79.05486	4.2
81.03416	4.5
81.07059	7.5
84.08119	3.0
85.02909	13.3
86.09707	5.8
87.04419	2.4
91.05482	14.7
93.07051	6.5
95.04963	4.6
95.08600	4.2
97.02882	5.3
98.97570	3.7
99.04448	2.2
103.05437	2.2
105.07030	4.9
107.04940	6.2
109.02899	3.6
109.06536	2.8
115.03954	2.6
116.98611	3.6
117.07006	2.8
119.04925	7.2
119.08578	3.8
120.08080	3.0
121.06539	2.4
122.03677	3.1
123.04405	2.1
127.03961	2.5
128.06276	2.8
129.07021	7.0
133.10056	2.9
134.99675	2.6
135.08055	2.4
136.05222	2.1
137.05986	42.2
137.09613	3.7
145.04987	2.1
145.06465	2.7
145.10100	5.7
147.08060	2.0
149.05978	5.4
151.03897	5.5
151.07545	46.1
157.06531	6.2
157.10052	3.7
159.08076	2.6
161.06004	6.7
163.03865	3.2
163.07549	15.4
167.08626	3.9
169.10110	2.4
174.06783	4.0
175.07579	3.0
177.09155	3.1
181.10095	3.5
185.09659	2.7
189.09102	12.6
193.06505	2.5
193.10237	2.5
195.08043	10.7
197.05984	2.8
207.10098	3.1
210.06935	3.0
212.08205	3.1
221.05882	3.3
221.09683	6.5
223.07628	3.6
224.08315	2.1
225.09216	4.9
227.10672	13.3
237.03027	2.9
239.07013	3.0
239.10500	2.4
239.16335	2.7
247.95238	1.8
249.09039	3.2
253.08582	8.6
253.12189	8.1
255.10164	12.2
257.17511	4.9
265.11185	2.2
267.10019	2.4
285.11295	11.6
287.05548	9.1
287.12766	27.1
288.05872	3.4
313.14301	28.5
331.11475	4.9
331.15421	100.0
343.15472	3.0
361.02344	5.2
450.23267	3.1
494.22702	2.3
496.24084	3.0
554.29553	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57139	1.5
53.03958	1.6
54.39200	1.5
55.01859	2.0
55.05508	1.5
57.03409	1.7
57.86613	1.4
61.02916	1.6
65.03931	1.8
67.05510	2.2
68.23328	1.3
69.03426	6.2
69.07068	2.2
69.23068	1.3
70.06592	7.4
70.84937	3.7
71.04999	2.4
72.08144	2.3
79.05477	3.7
79.36390	1.2
81.03421	3.8
81.07052	5.9
83.04992	1.9
84.08142	2.7
85.02901	14.4
86.09699	4.9
87.04478	1.6
91.05488	12.0
93.07067	3.6
95.04964	5.4
95.08599	2.8
97.02880	5.5
98.97576	2.2
103.05431	2.8
105.07030	5.0
107.04958	4.9
107.08575	1.5
107.98674	1.2
109.02820	2.2
109.06512	2.2
109.10171	1.4
111.04430	1.5
116.98589	2.1
117.06982	3.2
119.04940	9.2
119.08573	2.8
120.08102	2.8
121.06485	4.3
121.10134	1.7
125.06049	1.6
127.03899	2.1
128.06174	1.8
129.06995	6.5
131.04930	5.7
131.08563	2.9
133.06450	1.9
133.10049	2.1
135.08095	2.6
136.03885	1.3
136.05096	1.5
136.07468	1.5
137.05977	44.9
137.09572	2.4
143.04889	1.5
143.08516	2.0
145.04977	2.5
145.06407	2.5
145.10115	3.3
146.10457	1.7
147.04428	1.8
147.08041	1.5
149.05942	9.4
151.03882	3.1
151.07536	54.7
157.06517	5.0
161.06010	8.7
161.09654	2.4
161.13205	2.1
163.07561	16.9
165.07008	3.2
165.09076	3.0
167.07191	1.3
167.08537	6.1
171.11707	1.8
174.06781	3.8
175.07510	3.8
177.09106	5.9
179.08479	2.5
181.10118	3.4
189.09113	17.6
190.19472	1.4
193.06531	1.8
193.10071	3.2
195.08018	9.0
197.06105	1.7
197.09665	2.9
198.06273	1.6
207.10162	2.5
209.09639	1.9
210.06773	2.7
212.08397	2.4
217.12167	1.6
221.06018	3.6
221.09593	4.0
221.15338	1.7
223.07553	5.0
225.09146	3.5
227.10683	16.6
239.10802	1.7
239.16528	2.0
240.07826	1.4
241.08487	2.0
241.12291	1.7
249.09119	1.8
253.08618	6.8
253.12132	9.8
255.10121	15.1
257.17490	3.9
267.10159	2.0
269.08234	2.1
269.11813	2.7
272.10425	3.2
281.11749	2.5
285.11169	10.7
287.05511	3.8
287.12787	29.3
298.11740	1.5
299.12976	1.5
313.14325	28.1
331.15393	100.0
332.15817	2.2
343.15405	5.2
361.02530	1.9
430.21097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
65.03905	0.9
67.05492	1.7
69.03425	2.2
70.06597	4.9
71.04984	0.8
71.13763	1.3
74.51657	0.6
79.05487	1.1
81.03428	1.6
81.07062	1.5
84.08143	0.8
85.02921	6.7
86.09727	1.8
91.04966	1.1
91.05488	11.8
93.07055	1.0
94.04202	1.1
95.04990	4.0
97.02893	1.9
98.46762	0.7
103.05470	1.7
105.07043	2.3
107.04963	4.4
109.02838	0.7
109.06523	2.4
112.07580	1.4
113.47112	0.8
119.04945	8.4
121.06495	2.1
122.03642	3.3
123.08054	1.0
126.41889	0.7
127.03927	0.9
128.06239	1.3
129.07019	5.4
129.10281	0.8
129.19301	0.7
131.04933	2.9
131.08545	1.5
133.06413	1.1
135.08072	3.4
136.05247	1.2
137.05983	45.1
138.54515	0.7
145.04915	1.3
145.06502	1.3
149.06001	5.8
151.03996	1.6
151.07552	60.5
157.06461	6.3
159.08070	1.4
161.05975	5.8
161.09596	2.4
163.06268	0.5
163.07550	14.7
165.06999	2.0
165.09134	3.4
167.07196	1.1
167.08525	4.0
174.06789	5.4
175.07584	4.2
177.05531	1.2
177.06981	1.3
177.09167	2.8
178.07790	1.3
179.08484	1.0
181.06467	1.5
189.09108	23.6
193.06573	2.4
193.10133	2.7
194.07272	0.8
195.08078	12.1
197.05901	0.9
197.61063	0.7
201.09081	1.1
207.08125	1.0
207.10213	2.9
209.09637	2.1
210.06693	1.2
211.07594	1.6
212.08315	1.4
219.10127	9.8
221.06168	3.7
221.09627	4.3
223.07547	7.7
224.08336	1.9
225.09119	4.7
227.10654	18.1
234.06714	0.9
237.05478	0.8
237.09033	0.8
238.06125	1.4
240.07841	2.5
241.12320	0.9
244.08218	0.9
249.09087	3.7
253.08589	7.1
253.12280	7.2
254.09297	1.1
255.10161	17.5
263.10751	0.9
267.10199	2.3
269.08163	2.5
272.10461	2.2
281.11697	3.3
284.10593	1.2
285.11224	12.2
287.12787	34.9
299.12894	1.8
301.14526	1.7
311.12772	0.8
313.11578	0.6
313.14362	31.8
331.15417	100.0
332.15717	1.1
363.54639	0.8
421.53418	0.8
431.76184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96258	0.3
52.73375	0.3
53.03928	0.3
55.01870	0.3
61.02924	0.5
63.13794	0.3
65.27273	0.3
67.05487	0.8
68.05023	0.5
69.03426	1.6
70.06589	14.5
70.65910	1.0
73.02904	0.4
79.05474	1.4
81.03414	0.7
81.07043	1.1
82.06580	3.7
83.19427	0.3
84.08154	2.0
85.02895	2.7
91.05479	2.9
93.07047	2.3
95.08617	0.3
97.02885	1.0
98.06049	1.0
99.04433	0.3
100.07613	44.3
100.69474	0.3
105.07027	5.4
107.08595	1.2
109.02892	0.7
116.07079	1.9
117.06985	0.5
119.08605	3.0
121.10155	0.8
126.05518	0.9
127.03906	0.4
128.07074	100.0
129.07005	0.5
131.08588	1.8
132.67690	0.3
133.10144	0.4
134.48759	0.3
140.07048	1.0
142.08644	0.6
143.08569	0.9
145.10091	1.5
147.11682	6.9
147.12779	0.6
149.13231	0.3
149.75999	0.3
155.08559	0.4
157.10156	0.5
165.12701	0.3
168.06557	1.0
171.11703	0.7
173.13327	0.4
175.11237	0.7
176.19009	0.3
186.07669	2.2
193.12234	0.6
199.11162	0.4
217.12276	0.3
234.14873	0.5
240.19815	0.3
253.08339	0.3
288.19568	0.6
332.18552	7.7
332.22275	0.5
334.20099	2.7
360.18274	0.4
378.19092	88.8
379.19559	1.1
489.29602	0.3
494.23563	0.5
526.94641	0.4
540.16089	0.6
540.24402	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	540.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01858	4.3
55.05508	4.5
56.05037	2.2
57.03434	1.7
57.07045	1.8
58.99575	5.2
67.05509	10.3
68.05023	1.9
69.03413	5.2
69.07069	9.0
70.02950	15.9
71.05009	2.1
71.38049	3.4
73.02908	4.7
76.02221	10.0
76.03987	7.1
79.05492	19.6
81.03416	4.6
81.07054	42.4
82.06583	1.7
83.06084	7.0
83.08617	4.0
84.04031	2.5
84.04499	25.7
85.01123	2.9
85.02879	3.7
88.02192	6.5
91.05483	15.2
93.07038	22.7
95.04965	3.1
95.08605	16.1
97.01103	3.7
97.06525	30.8
99.05581	5.5
105.07029	46.5
107.04910	3.7
107.08589	21.9
109.02868	3.3
109.06532	1.7
109.07638	6.6
109.10146	5.6
111.02654	2.6
111.08044	2.5
115.55978	1.6
116.01668	5.8
117.07057	11.5
119.08583	31.4
121.06482	3.6
121.10145	13.0
123.08034	2.6
127.03918	3.6
128.06184	3.0
129.05725	1.5
129.06711	8.5
130.04987	5.3
130.07776	1.7
131.08569	38.2
133.10118	14.0
135.08054	4.4
137.04227	2.0
139.05779	4.3
142.07733	3.7
143.01624	1.7
143.08566	15.4
144.01137	3.4
144.09326	3.5
145.06075	75.8
145.10101	27.9
147.08028	1.8
147.11664	4.5
149.04184	3.6
149.05965	1.8
151.05838	4.1
153.06674	2.5
155.08229	9.6
156.09464	2.0
157.10112	18.9
159.08072	6.3
159.11688	58.7
161.05963	2.4
161.13251	29.7
162.02165	10.3
163.05775	10.0
163.07579	2.4
163.11160	1.8
163.14832	2.8
167.08510	2.0
169.10120	5.9
171.08002	3.8
171.11659	7.1
173.09537	5.3
173.13237	6.3
175.05919	1.8
175.07460	2.6
176.08032	1.8
177.07344	2.6
177.09081	5.0
179.04834	19.2
181.06209	2.2
182.11014	2.0
183.11603	2.7
185.13271	21.7
187.05406	3.0
187.11182	2.8
187.14807	56.4
189.03311	3.6
189.09109	4.5
189.12733	1.8
189.16354	12.7
191.07072	9.3
191.10645	3.6
195.08064	2.4
195.11702	2.9
197.13261	9.6
199.07346	4.7
201.12865	2.1
209.06311	1.9
213.12724	11.0
215.14308	35.3
219.12013	16.4
221.13525	1.9
229.10481	2.6
233.05971	3.1
233.15401	17.8
241.12308	2.5
245.13666	2.4
247.11496	20.5
256.09152	2.1
265.12589	25.0
269.11743	2.0
274.10239	7.3
285.14801	2.1
287.12857	11.0
290.15714	4.7
303.15842	2.6
308.16769	23.6
318.14938	2.2
331.15457	12.1
373.16379	9.1
375.17389	2.1
393.18393	7.3
394.16699	8.8
411.19479	100.0
465.20529	38.4
477.20221	2.2
522.22797	2.5
540.23987	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	539.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01860	4.9
55.05493	15.0
56.96553	8.1
57.07062	14.7
58.99576	5.7
65.03943	3.9
67.05504	46.4
69.03429	15.9
69.06776	3.4
69.07068	36.9
69.29536	7.9
69.29941	29.8
69.79005	2.8
70.06575	9.5
71.04997	20.3
72.08154	4.9
76.02225	7.5
78.01796	12.4
79.05493	22.8
81.03403	9.1
81.07056	73.0
83.04975	100.0
83.08614	14.2
83.63036	3.0
84.04485	14.5
84.08147	4.5
85.02902	14.7
85.04025	4.8
85.06533	23.1
86.09708	5.1
91.05473	24.5
93.07040	37.3
95.04967	44.3
95.08600	60.3
95.09169	6.6
97.02856	3.9
97.06523	14.5
97.10142	10.3
97.82214	2.8
98.97519	4.2
99.04459	4.4
101.05965	3.5
103.05460	3.3
105.07023	49.5
106.83846	4.4
107.04934	10.9
107.08588	45.1
109.06499	17.6
109.09452	5.7
109.10149	74.3
111.08084	8.4
113.06005	58.9
116.98637	4.0
117.07016	7.7
119.08561	27.6
121.06466	4.2
121.10140	43.6
123.08014	5.3
123.11705	37.6
125.05967	3.7
127.03894	3.3
127.07539	7.4
127.11143	3.8
129.10168	4.6
130.04982	10.7
131.04471	4.9
131.08530	11.3
133.06509	3.8
133.10112	20.3
135.11690	11.7
137.05968	8.4
137.09595	3.8
137.13248	12.1
145.10123	17.8
147.11688	28.9
149.05959	4.7
149.09599	3.7
149.13239	13.3
153.09102	5.2
157.10143	6.4
159.11702	10.7
161.05981	4.4
161.13252	17.1
162.02191	7.4
163.11116	3.6
163.14787	4.6
164.01698	5.9
167.10706	5.8
171.11674	7.1
173.13266	7.8
175.04245	3.6
175.14821	6.4
177.03270	7.1
177.05357	4.3
177.12808	5.5
177.16371	17.1
178.03693	4.0
179.04858	8.3
179.17932	6.5
180.05151	4.8
181.04404	6.6
181.12381	3.7
182.04698	3.5
185.13239	7.1
187.14854	5.5
193.19542	4.0
195.13791	7.7
196.14046	6.0
197.05846	5.7
199.14598	4.9
201.16435	5.0
203.17915	42.3
209.07944	5.3
211.13239	6.6
212.13675	5.9
213.16409	4.1
221.18958	27.5
225.09200	3.1
237.02756	5.4
239.20064	13.9
247.82367	2.9
269.22589	10.4
287.23679	9.0
289.07477	7.4
291.13596	3.4
297.58585	4.0
305.24918	19.8
308.09000	3.9
310.09100	4.2
311.08966	3.8
317.06799	3.7
323.25842	58.5
331.08591	8.9
332.45612	3.4
335.07809	6.6
341.22964	5.5
341.26868	61.4
359.27905	7.9
392.19199	13.3
479.11966	10.0
497.13651	3.9
526.80524	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.8
55.05498	19.0
57.07060	16.0
58.99566	6.0
60.99161	6.0
67.05203	4.8
67.05508	46.7
69.03426	25.8
69.06771	5.2
69.07073	35.6
69.66871	12.6
69.67281	30.5
70.06576	19.7
71.04982	21.3
72.08128	5.2
76.02233	26.5
76.28464	4.3
78.01805	34.0
79.05484	24.8
79.61575	5.0
81.03410	15.9
81.07062	84.8
83.04983	100.0
83.08618	14.7
84.04485	20.3
84.08159	8.9
85.02900	20.6
85.04815	7.2
85.06528	26.2
87.04498	5.3
91.05471	32.6
93.07046	53.1
95.04971	53.5
95.08608	66.3
96.05296	5.4
97.02885	6.4
97.06515	19.4
97.10140	10.9
98.97615	7.6
103.05471	6.1
105.07033	58.2
106.04177	8.8
107.04964	11.6
107.08591	46.9
109.02860	9.6
109.06499	18.1
109.10155	67.8
111.08035	10.3
113.06018	44.7
116.01706	8.9
116.98602	10.8
117.07063	6.3
118.01205	8.5
119.04913	5.7
119.08560	34.3
120.08059	7.0
121.06486	12.8
121.10119	33.1
121.20676	5.3
123.11720	31.5
125.09602	6.6
127.03912	13.0
127.07594	6.8
127.11266	6.6
130.05002	15.0
131.08546	13.4
133.10101	18.7
135.11673	16.5
137.05966	8.2
137.09639	5.8
137.13278	10.0
143.08487	6.0
144.07774	5.0
145.10110	23.5
146.00720	5.1
147.11700	36.7
148.03969	8.0
149.05994	12.6
149.13243	12.1
153.09079	7.9
157.10089	10.5
159.11667	10.5
161.13208	15.9
162.02177	10.5
163.11205	8.6
164.01843	7.1
165.01920	5.3
165.12764	8.2
166.04991	6.6
167.10687	8.1
171.11703	13.1
173.13217	5.7
175.14807	7.1
177.03252	9.0
177.05498	6.6
177.16345	17.6
179.04901	16.9
179.17984	5.6
180.05194	6.7
181.04340	24.3
182.04758	6.3
193.12291	7.1
195.13919	6.3
201.16380	6.1
203.17934	41.3
205.06848	6.6
206.07053	6.1
209.08109	26.1
211.13289	12.3
212.13525	8.5
217.12201	5.3
221.19029	39.4
239.20047	10.6
243.06624	7.7
277.10611	11.2
287.23718	10.7
289.07401	4.8
291.08899	4.9
305.24738	13.6
307.08234	7.6
309.09540	6.6
310.08878	15.8
311.09137	17.5
323.25854	67.9
335.07834	5.7
341.26843	63.1
438.42615	5.2
449.16003	6.0
521.24066	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01862	0.9
55.05499	0.7
57.03428	0.5
57.07077	2.7
58.22816	0.3
59.04971	0.5
67.05492	1.4
69.03425	1.2
69.07056	1.0
71.08624	2.2
71.61511	0.6
73.02907	1.4
79.05466	0.6
81.03399	1.0
81.07054	2.2
83.04987	0.5
83.08607	1.6
85.02906	1.2
85.10184	1.8
90.51580	0.4
91.05483	0.4
92.62425	0.3
93.07067	0.5
95.08591	2.2
95.29280	0.4
97.02898	0.7
97.10176	0.9
97.28844	0.3
99.04473	0.8
104.10789	0.3
109.02878	2.1
109.10146	1.4
110.03657	0.6
111.04424	2.2
112.31269	0.4
121.10139	0.4
123.11723	0.6
126.82576	0.3
127.03915	1.0
132.99629	0.5
191.00133	1.0
209.00993	0.4
209.11804	1.1
209.81291	0.4
239.23651	2.8
242.28770	0.3
257.24829	0.4
260.12314	0.4
283.15524	0.5
313.27307	2.0
321.22415	0.7
539.31915	100.0
540.32227	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01861	0.9
55.05509	0.8
57.03430	1.0
57.07077	3.2
57.23269	0.2
61.02911	0.3
67.05511	1.5
69.03425	2.1
69.07071	1.1
71.05013	0.2
71.08627	2.1
73.02921	2.2
79.05458	0.2
81.03421	1.4
81.07038	1.9
83.08620	1.4
85.02913	1.4
85.10181	1.4
93.07028	0.5
95.08611	3.2
97.02892	0.7
97.10164	0.9
98.20684	0.5
99.04458	0.8
103.03905	0.3
107.08562	0.2
109.02879	2.9
109.10158	1.1
110.03643	0.5
111.04432	2.7
111.11771	0.4
123.11699	0.6
127.03915	1.9
132.99530	1.3
143.08540	0.3
151.00630	0.4
168.82257	0.2
175.41165	0.2
184.07346	0.4
185.04248	0.4
191.00027	1.5
191.65500	0.2
203.05312	0.8
209.01328	0.6
221.22559	0.3
239.23694	4.9
257.24695	0.3
259.07968	0.5
313.27344	2.3
321.22821	0.5
348.73953	0.3
447.32343	0.3
539.31915	100.0
540.32196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01874	4.5
55.05508	15.8
57.03431	8.3
57.07092	3.4
61.02922	2.5
65.03928	3.7
67.05506	60.5
68.99770	2.4
69.03422	10.6
69.07065	21.2
70.06586	7.4
70.85394	6.4
71.04995	41.1
79.05486	23.3
81.03420	9.6
81.07059	100.0
83.04962	2.6
83.08641	11.9
85.02899	20.8
85.06551	14.7
85.59093	2.2
87.00827	6.4
91.05475	10.5
93.07050	25.2
95.04958	6.2
95.08605	66.1
97.02893	6.2
97.06528	6.7
97.10158	12.1
99.04403	3.1
99.08073	4.9
103.05460	23.4
104.05814	2.4
105.01870	6.1
105.07035	9.0
107.04979	3.3
107.08586	16.0
109.02873	6.9
109.10157	43.8
111.08014	2.1
111.11684	2.6
113.09626	2.3
117.07069	2.3
119.08572	5.1
120.08104	2.9
121.06528	2.2
121.10144	33.4
123.04438	3.5
123.07967	2.1
123.11716	31.6
124.05253	3.1
127.03915	11.6
129.07063	3.3
130.04172	3.4
131.04921	48.4
131.05824	3.9
131.08551	4.9
133.06500	3.7
133.10124	7.1
135.08138	3.1
135.11694	23.4
137.05975	31.5
137.09584	6.5
137.13290	14.8
141.07056	2.6
141.12747	3.2
143.08553	5.8
145.04997	6.2
145.10100	7.0
147.08104	2.6
148.05197	23.9
149.13264	11.8
151.03957	4.1
151.14812	4.2
153.01825	19.6
155.10616	3.5
157.10147	5.5
159.02983	2.1
161.05983	6.7
161.13271	7.5
162.06749	2.5
163.07478	14.3
163.14813	9.7
171.08121	2.5
171.11649	3.4
174.06866	2.2
175.07526	4.2
177.16443	3.5
179.03397	15.4
179.14304	6.3
197.15388	3.8
199.11255	4.4
219.21059	14.7
229.04965	18.2
237.11267	2.5
237.22124	85.4
239.07059	2.9
255.06604	6.2
255.23199	90.7
257.04581	2.6
259.06000	5.2
273.18570	3.2
273.24231	14.9
291.19507	3.1
291.25305	9.1
311.05518	12.0
313.07028	3.9
323.05682	5.3
337.07175	6.3
353.10147	17.9
417.09564	24.1
429.09875	5.7
437.12305	17.0
447.21674	5.8
475.21252	3.3
491.13275	23.8
493.15378	3.9
493.21957	5.0
503.12970	5.9
503.20453	2.6
511.15802	7.4
521.14551	4.5
521.21741	3.3
522.13580	2.3
539.14966	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	539.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76849	2.2
53.03928	2.7
55.01870	2.3
55.05518	14.3
57.07061	2.5
65.03928	1.9
67.05173	3.4
67.05506	47.1
69.03417	8.1
69.07074	15.3
69.38345	18.8
70.06581	7.8
71.04597	2.0
71.04989	38.5
71.08614	2.1
71.58136	1.9
73.02911	2.7
73.99067	2.1
79.05491	18.0
81.03394	7.9
81.07055	77.5
83.08614	9.6
85.02904	15.0
85.06528	8.8
87.00791	4.0
91.05470	7.8
93.07045	24.6
95.04928	2.2
95.08604	59.8
97.02889	5.7
97.06522	6.5
97.10178	10.8
99.04482	2.9
99.08092	5.4
105.01856	4.5
105.06989	4.4
107.04919	3.2
107.08571	15.6
109.02865	5.1
109.10150	33.7
111.04425	2.2
111.11691	2.8
113.09620	2.4
117.07043	3.0
119.08557	3.1
121.10141	29.9
123.11701	25.7
127.03901	11.2
129.06947	3.0
131.08601	3.9
133.06502	2.2
135.11694	20.7
137.05927	4.5
137.13235	11.2
142.07733	2.5
143.08533	5.1
145.10127	3.7
147.11754	3.2
149.13246	11.8
157.10182	4.6
159.08018	2.7
163.14821	6.2
169.10127	3.7
171.11708	3.7
173.09639	3.8
177.16362	6.0
181.10030	2.4
185.09552	3.3
197.09476	3.5
199.11102	3.8
210.14633	2.6
211.10893	2.3
217.12244	2.3
219.21049	10.7
237.22124	79.3
255.23189	100.0
273.24280	16.8
274.03256	2.3
280.34634	1.9
291.19641	1.9
291.25217	6.8
335.98105	2.3
381.01160	2.1
447.21777	4.1
457.19632	2.7
475.21146	3.3
493.22028	7.8
539.21924	6.2
565.81024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.01876	18.7
55.05512	16.6
57.03436	21.5
57.07073	78.6
57.47693	2.0
61.02915	4.7
65.03925	2.3
65.23986	1.9
67.05503	31.5
69.03427	52.1
69.07063	17.2
70.66068	1.7
70.66427	5.7
71.01378	2.3
71.04979	5.8
71.08629	58.4
73.02917	55.6
75.04468	3.8
79.05486	6.8
81.02972	3.0
81.03418	34.4
81.07056	45.0
83.04983	12.0
83.08617	29.3
85.02901	39.1
85.10182	32.2
89.06002	4.9
91.05464	4.0
93.07039	6.9
93.42831	2.0
93.80636	1.8
95.04948	2.3
95.08606	52.7
95.95132	1.8
97.02898	16.7
97.10175	12.3
98.21410	2.2
99.04450	24.3
99.11694	2.7
103.03950	3.6
107.08546	3.9
109.02876	64.7
109.10162	32.5
110.03689	9.8
111.04440	66.2
111.05206	3.8
111.11713	5.1
119.69243	1.9
121.10115	2.8
123.11705	15.9
125.09643	2.0
125.13296	4.3
127.03919	35.4
129.05475	1.9
131.08583	2.2
132.99527	23.6
135.01186	2.5
135.11618	3.5
137.13232	8.3
139.14803	2.9
145.10097	2.2
151.00598	7.6
151.14803	4.9
153.12746	1.8
155.00090	2.5
163.11162	4.8
165.16458	3.3
167.00085	3.2
169.01659	2.7
172.99049	5.5
181.12251	2.9
187.81718	1.7
191.00087	37.2
209.01111	13.4
209.11760	2.3
221.22646	5.4
227.12708	2.4
239.23674	100.0
257.24802	10.2
262.95386	2.1
265.03711	5.2
283.15475	3.5
298.27075	2.6
313.27344	58.5
355.28394	3.8
428.19482	1.9
539.28912	72.8
539.39203	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	539.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
53.36838	4.7
54.52383	4.4
54.85471	4.4
55.01868	6.0
55.05502	19.8
65.64854	4.5
67.05504	19.5
69.03432	31.5
69.07071	25.8
69.55403	13.0
69.55815	23.2
71.04994	5.6
79.05500	17.8
81.03413	20.9
81.07053	56.3
83.08609	15.5
85.02910	66.1
85.06513	6.0
87.00806	18.4
91.05482	27.1
93.07059	36.8
95.04980	5.5
95.08037	6.7
95.08605	66.5
97.02888	13.5
97.06524	6.1
97.10162	16.0
99.04462	6.6
99.08053	7.1
105.01888	42.1
105.07037	42.6
107.08598	54.3
109.02848	17.4
109.10139	28.3
111.11703	16.7
112.20761	4.4
117.06976	8.2
119.08567	36.6
121.06553	6.8
121.10143	46.1
123.11725	14.9
125.09673	5.1
127.03934	37.6
129.06982	4.8
131.08543	19.2
133.10138	20.7
135.11714	33.3
137.13274	10.6
143.08543	10.6
144.09448	4.5
145.04948	13.3
145.10110	24.0
147.11673	23.5
148.64966	4.5
149.13252	57.5
157.10123	18.5
159.02873	10.2
159.11681	21.5
161.13266	18.1
163.11189	10.6
163.14815	16.7
171.11716	13.4
173.01289	4.9
173.13260	10.6
175.14825	19.4
177.12723	22.5
185.13234	13.6
189.12753	7.6
189.16362	15.0
199.14828	16.4
213.16374	6.9
229.19527	18.2
231.04999	14.7
245.18936	6.2
245.22659	78.1
255.21136	54.0
256.21350	5.5
273.19254	6.5
273.22128	100.0
291.23160	28.4
296.01947	5.3
313.61115	5.6
337.74307	6.9
357.07230	4.8
376.86066	5.5
561.48206	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	539.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01868	5.4
55.05510	7.4
56.96570	1.4
57.03431	5.6
57.07067	1.8
61.02914	3.2
65.03954	1.4
67.05502	8.0
68.99780	2.3
69.03425	28.9
69.07063	8.8
71.04994	5.1
71.60052	1.5
71.61677	1.6
73.02922	4.8
79.05501	5.9
81.03416	26.6
81.07053	18.8
83.01292	1.3
83.04987	3.6
83.08611	2.6
85.02902	35.8
85.06544	4.1
87.00823	13.2
91.05460	11.1
93.07036	16.7
95.04971	5.8
95.08607	14.7
97.02890	17.0
97.06538	5.1
97.10142	1.3
98.97576	1.3
99.04465	8.3
100.11257	2.2
103.03935	1.7
105.01863	7.8
105.07037	14.3
107.04945	6.6
107.08596	10.6
109.02879	27.4
109.06513	8.2
109.10162	5.4
111.04455	3.1
111.08079	43.0
116.98610	1.3
117.01878	2.9
117.07014	3.6
119.08583	12.7
121.06530	4.0
121.10155	7.7
122.07307	1.4
123.08045	9.3
123.11704	1.8
127.03913	33.4
127.04799	2.5
128.06210	1.5
129.01854	2.5
129.06999	2.3
131.08575	5.1
133.06474	2.3
133.10101	8.3
135.08069	9.8
135.11736	3.6
137.09637	5.1
141.07002	1.4
143.08574	3.9
145.03947	1.4
145.04880	7.6
145.10139	9.1
147.03024	1.4
147.08084	6.5
147.11708	6.3
149.13303	1.7
151.07539	36.7
155.08630	1.3
155.10658	1.4
156.09355	3.9
157.10149	6.4
159.02899	9.7
159.08072	4.9
159.11739	3.1
161.09636	5.8
161.13170	1.7
163.03865	2.3
163.11194	11.7
165.09064	1.6
166.22356	1.2
169.10175	3.0
170.15399	3.7
171.11725	5.6
173.09587	2.8
173.13243	3.3
174.10405	4.9
175.11214	2.4
177.09113	1.1
179.10649	7.9
187.14847	1.9
189.12740	100.0
190.13245	1.5
191.10695	1.5
191.14311	3.2
197.05928	1.5
197.11734	8.8
197.13300	2.9
198.14935	3.7
205.12288	2.5
207.13805	30.2
210.14854	2.1
213.03989	2.1
213.12666	1.9
213.16466	1.9
215.06979	2.5
215.14397	4.7
217.12300	3.6
231.04977	4.6
235.13242	3.0
255.17436	4.2
273.18463	24.4
291.19577	8.8
309.13959	1.8
326.01529	1.6
363.72620	1.5
424.31808	2.4
455.19119	17.2
457.59821	1.3
475.21106	1.5
520.39709	1.4
521.23175	1.6
539.24994	13.6
539.41467	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01863	4.0
55.05509	5.2
56.96562	2.2
57.03440	3.7
61.02929	2.8
66.56697	1.4
67.05511	6.8
68.99797	2.0
69.03432	28.7
69.07063	4.3
70.94215	4.7
71.04992	4.7
73.02912	4.1
74.95016	1.3
75.21549	1.3
79.05505	6.0
81.03416	22.0
81.07056	11.7
83.05000	2.5
83.08627	3.0
85.02903	36.4
85.06563	3.0
87.00826	12.6
91.05489	8.6
93.07045	12.9
94.81170	1.5
95.04968	4.8
95.08602	10.8
96.41310	1.5
97.02893	12.6
97.06526	5.3
99.04440	8.9
100.81403	1.4
105.01289	1.6
105.01865	10.2
105.07037	11.5
107.08595	9.0
109.02873	20.9
109.06544	6.6
109.10174	5.3
111.04478	2.0
111.08082	38.8
112.94012	1.6
117.01854	2.9
117.07034	3.3
119.08562	12.1
121.06537	3.2
121.10151	7.4
122.07287	1.9
123.08073	10.9
125.09666	1.7
127.03915	29.0
129.01851	2.5
129.06990	2.4
130.07780	1.5
131.08621	4.8
133.06453	2.5
133.10127	11.4
135.08087	9.5
135.11670	2.5
137.05913	1.5
137.09645	3.9
143.08560	3.0
145.04951	7.8
145.10098	8.4
147.08052	6.0
147.11678	5.2
151.07542	44.3
153.09103	1.6
156.09381	4.0
157.10187	4.3
159.02904	8.9
159.08051	4.2
159.11694	2.4
161.01105	1.8
161.09660	5.0
161.13304	2.7
163.11198	9.7
163.93451	1.5
167.23586	1.5
169.10158	2.0
171.11702	5.3
173.09644	3.1
173.13290	2.5
173.74902	1.3
174.10420	6.1
175.11166	3.3
177.09151	2.1
179.10678	9.7
183.23070	1.6
185.09663	1.8
187.11253	2.2
189.12747	100.0
190.13257	1.4
191.07040	2.1
191.10616	2.1
191.14410	4.9
197.11732	10.4
207.13794	36.7
213.03867	2.8
213.16455	2.5
215.14465	2.2
217.12285	4.1
231.05031	5.1
231.10318	1.8
231.17351	2.0
235.13306	4.0
255.17516	4.0
265.06177	1.6
273.15588	1.0
273.18512	30.0
273.21533	2.2
291.19550	13.3
367.17581	1.8
373.16641	2.6
390.29727	1.5
399.12595	2.5
437.18237	1.9
455.19272	14.3
539.24567	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	539.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
54.15446	1.8
55.01862	6.3
55.05518	9.8
64.04861	2.0
67.05168	3.0
67.05505	39.9
68.99786	3.4
69.03438	20.8
69.07052	6.1
70.06581	9.4
70.95573	5.3
71.05002	9.2
73.02920	3.0
79.05493	16.0
81.03423	18.8
81.07059	33.0
82.61300	1.9
83.04982	4.4
83.08631	3.0
84.04477	1.9
84.08136	4.7
85.02910	27.2
85.06529	4.9
86.09692	6.5
87.00842	10.6
91.05482	22.4
93.07047	18.6
95.04967	12.6
95.08609	57.6
97.02876	10.7
97.06512	7.6
97.10153	2.9
99.04456	8.4
100.11250	2.2
103.05466	3.3
105.01878	3.9
105.07034	23.3
107.04942	17.9
107.08601	17.8
109.02882	15.1
109.06529	9.1
109.10157	85.9
111.08073	2.0
115.05447	2.2
117.01815	2.2
117.07019	9.4
119.04935	3.2
119.08583	35.8
120.08064	2.2
121.06502	8.2
121.10159	13.7
123.04446	2.0
123.08052	16.0
123.11700	3.1
127.03914	18.9
128.06227	3.4
129.06992	8.7
130.07880	2.1
131.04921	8.1
131.08582	15.1
133.06509	2.5
133.10118	13.1
135.08032	10.6
135.11653	5.0
137.05994	11.3
137.09622	100.0
139.11156	2.1
141.06982	4.0
142.07767	4.3
143.08568	11.5
144.05667	2.3
145.04987	3.8
145.06458	3.9
145.10115	23.3
147.03053	1.8
147.04373	3.0
147.07994	5.2
147.11668	7.5
149.05968	1.9
149.09592	7.8
151.03876	4.5
151.07544	2.8
153.09091	1.9
154.07787	2.2
155.08546	3.9
155.10658	24.8
156.09312	4.0
157.06477	2.2
157.10149	13.5
159.02902	5.7
159.08058	6.2
159.11658	9.6
161.05946	4.3
161.09653	9.4
163.07501	2.4
163.11182	2.1
165.09105	5.5
167.08566	2.1
169.06482	2.7
169.10103	9.7
171.08040	3.4
171.11711	12.4
172.08876	3.9
173.09622	7.5
173.13293	13.6
175.07484	2.8
175.11157	6.5
179.08595	2.4
181.10175	3.0
183.11676	5.1
185.09583	4.2
185.13239	6.8
187.07481	2.3
187.11203	5.9
187.14856	4.7
189.12714	3.0
193.10197	3.9
195.11678	3.1
197.05963	14.8
197.09583	3.4
197.13271	8.1
199.11147	5.4
201.12717	5.0
209.13199	2.5
211.11179	3.5
211.14856	2.6
213.09148	2.4
213.12694	3.3
213.16313	11.4
215.07039	5.3
215.10703	2.4
215.14270	5.6
217.12250	3.6
223.11252	2.0
225.16330	2.6
227.17973	4.8
229.15868	5.5
231.05057	2.8
231.17442	3.2
233.15369	2.9
237.08978	1.8
237.16525	2.4
237.22093	4.5
241.08572	3.0
243.17345	7.2
245.19002	3.1
247.16997	15.6
255.17409	12.1
255.23236	11.7
261.07761	1.8
263.07294	1.9
273.18527	53.2
277.10672	3.8
291.19543	67.0
387.10571	2.7
447.21817	2.2
449.23343	3.2
450.08731	2.1
457.20364	2.6
465.11923	3.0
475.21075	5.3
493.22339	2.9
495.23526	6.1
503.20691	3.1
521.21729	6.5
539.22278	6.5
539.41339	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01854	3.5
55.05510	5.4
56.91661	1.1
56.96557	3.5
57.03421	3.9
61.02903	3.1
67.05512	5.4
69.03426	24.1
69.07049	3.6
71.04979	2.0
71.45957	1.9
73.02901	4.2
79.05479	5.0
81.02965	1.8
81.03416	21.7
81.07039	9.8
83.04961	3.4
83.08588	2.0
85.02419	2.0
85.02901	32.9
85.06509	2.0
87.00822	12.1
87.04436	1.0
91.03951	1.0
91.05470	9.1
93.07040	12.9
95.04956	5.3
95.08599	10.9
97.02895	11.3
97.06519	2.6
99.04443	6.2
105.01861	8.8
105.07012	13.1
107.04947	4.5
107.08588	7.5
109.02876	19.9
109.06522	6.2
109.10146	4.0
111.04454	1.7
111.08073	38.2
114.54296	1.2
115.05389	1.2
117.01849	1.4
117.06990	3.5
119.08569	11.6
121.06516	3.1
121.10130	6.4
122.07286	1.3
123.08060	8.8
127.03913	27.7
128.06223	1.9
129.01833	2.0
129.06970	2.8
131.08565	5.7
133.06525	1.4
133.10130	7.9
135.08055	5.0
135.11667	3.3
137.05971	1.3
142.07817	1.8
143.08551	5.3
145.04955	8.3
145.06488	1.0
145.10100	8.7
147.02878	1.3
147.08029	2.1
147.11702	4.0
149.09581	2.2
149.13271	1.6
151.07535	35.8
155.08536	1.7
156.09322	3.1
157.10127	4.0
159.02872	10.7
159.08057	3.4
159.11673	2.4
161.09595	3.5
161.13232	2.1
163.11198	10.3
169.10109	2.5
170.59769	1.1
171.11696	10.3
172.12057	2.8
173.09569	2.1
173.13263	3.4
174.10408	4.4
175.11212	2.6
177.09117	1.4
179.10684	6.2
181.10120	1.8
185.13213	1.4
189.12727	100.0
190.13332	1.2
191.14323	3.9
197.06041	1.9
197.11713	8.4
197.13266	1.6
199.11162	3.1
200.11464	1.3
201.12769	1.7
205.12277	2.5
207.13779	37.0
213.16359	2.8
215.07187	1.3
215.14342	2.2
217.12207	6.6
218.12587	1.6
231.04961	4.0
235.13260	4.1
246.12256	1.0
253.11366	1.4
255.17479	4.0
273.18460	20.0
291.19537	9.1
412.12750	1.1
455.19080	17.1
529.86523	1.1
539.24615	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	539.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01855	0.7
57.03444	2.3
61.02890	0.5
66.31895	0.4
67.05509	0.5
69.03434	6.5
69.07047	0.5
70.06593	2.5
71.01352	0.8
71.04978	1.8
72.08147	0.5
73.02921	0.5
76.82267	0.4
79.05470	1.4
81.02979	0.5
81.03423	7.2
81.07064	0.6
83.04954	0.5
84.04469	0.8
84.08102	0.5
84.96021	0.8
85.02903	4.0
86.09670	1.5
91.05457	1.8
95.04944	1.7
97.02896	4.3
99.04462	2.4
100.45412	0.4
101.79633	0.4
103.05466	0.6
105.07045	0.8
107.04955	41.5
108.05302	0.5
109.02873	3.0
109.06547	0.5
110.07175	3.4
111.04433	0.4
115.05451	3.6
117.07015	0.6
119.04953	1.1
119.08585	0.5
121.06499	0.8
126.40302	0.5
127.03912	3.7
128.06171	0.6
131.04921	4.5
133.06483	0.6
137.05954	2.0
141.06993	8.5
144.05688	1.9
145.04942	0.8
145.06531	2.5
147.04376	1.5
149.05978	1.3
151.03871	1.7
155.04918	0.7
157.06454	0.8
161.05954	0.8
163.03894	0.5
165.05531	0.4
168.05705	1.8
169.06488	30.7
171.04407	1.5
171.08073	1.0
173.06007	3.6
175.07591	0.5
181.06429	0.6
185.05919	0.9
187.07539	1.8
189.05446	1.1
197.05981	100.0
198.06369	1.3
199.07593	1.0
199.11319	0.5
203.03378	0.5
215.07031	14.3
219.06567	0.7
225.05482	1.2
239.06964	0.8
243.06534	10.5
261.07553	2.9
279.08600	0.5
285.07498	0.6
303.05432	0.4
303.08566	0.6
307.09415	0.6
307.13925	0.6
315.08636	1.0
321.11340	0.6
325.07501	1.2
325.15524	0.4
334.07983	0.5
345.09927	0.4
349.10703	1.2
359.11249	1.1
369.09839	1.5
387.10754	56.1
388.10977	1.2
405.11746	1.4
424.22375	0.5
451.02878	0.5
487.75150	0.4
539.15375	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	539.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01870	2.3
55.96371	1.3
57.03418	1.5
64.38330	1.1
65.03931	1.1
66.14100	1.1
67.05492	2.0
69.03427	15.8
69.07071	1.9
79.05492	3.7
81.03417	16.8
81.07048	3.2
85.02898	5.5
86.57974	1.3
91.05489	6.2
91.55929	1.3
93.07059	3.2
95.04977	2.9
95.08572	1.7
97.02889	5.1
97.06537	1.4
99.04460	2.9
105.03383	1.2
105.07082	1.4
107.04954	100.0
107.08549	1.7
107.54961	1.2
109.02886	13.6
109.06490	1.4
109.10152	1.9
115.05444	5.8
117.07024	2.9
119.04951	3.6
119.08601	1.4
121.06499	4.5
121.10142	1.6
123.04459	1.3
125.02337	1.7
127.03925	19.7
128.06264	1.6
129.06990	1.4
131.04924	13.9
131.08574	2.7
135.04407	2.1
135.08011	1.7
137.06027	3.1
139.03850	1.4
141.06985	7.6
143.05014	1.3
143.08514	1.9
144.05693	11.8
145.04950	1.9
145.06493	9.3
147.04390	6.3
149.05995	5.3
151.03874	7.9
151.60426	1.3
157.06500	4.4
159.02910	2.0
159.04344	2.0
159.08076	4.7
161.05994	1.5
165.05438	2.3
169.06497	13.8
171.04349	6.0
171.08096	3.0
171.11603	1.9
173.05963	11.0
179.03421	3.4
181.06506	1.4
185.06039	4.2
187.07555	9.9
189.05463	5.8
197.05980	69.3
198.06511	1.9
199.07512	2.9
203.07013	3.0
205.05009	1.6
213.05592	1.5
215.07024	53.1
217.04970	1.8
225.05469	4.1
231.06566	2.4
233.08052	2.1
235.05885	1.6
237.07487	2.7
243.06534	17.0
261.07483	9.9
273.18491	2.2
285.07458	2.6
291.12094	3.8
303.08896	1.2
315.08597	6.6
323.08490	1.5
327.08432	1.4
345.09659	1.6
349.10712	1.9
359.11295	1.6
369.09604	4.9
387.10757	12.5
396.22028	1.3
405.11664	3.8
495.19556	1.8
535.21582	1.2
539.16248	10.5
539.27551	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
56.05028	1.0
57.03424	0.5
58.06578	1.1
60.08164	15.6
63.57622	0.4
64.15227	0.4
67.05483	2.3
69.07053	1.9
70.06595	1.2
71.07372	6.1
71.08611	0.5
71.60091	0.7
79.05473	1.2
81.07058	2.5
83.08617	0.9
86.09706	47.6
91.05477	1.0
93.07060	0.8
95.08598	1.7
97.10135	0.5
98.98470	3.2
104.10743	100.0
105.06993	0.5
105.11052	0.5
107.08590	0.8
109.10216	0.5
121.10063	0.4
122.77350	0.5
125.00006	25.9
141.87517	0.5
143.01033	0.6
166.02660	0.6
184.07339	97.6
258.11093	1.3
307.67831	0.4
335.25842	0.5
337.27448	1.0
344.56079	0.5
520.34003	8.6
538.35089	34.6
538.42291	1.4
539.35840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1374
Annotation	Sibiricaxanthone A
Peak:m/z	Relative Intensity
52.48240	0.6
62.00289	0.7
64.32811	0.6
70.33607	2.2
102.69564	0.7
163.88710	0.7
193.81787	0.7
196.96519	0.7
249.02823	1.2
256.97308	2.4
286.37494	0.8
352.73761	0.7
388.10345	0.8
521.12524	0.9
539.13721	100.0
540.14081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01874	3.2
55.05511	9.8
55.68895	2.7
57.03434	15.0
59.04984	6.2
59.29508	2.7
67.05508	15.8
69.03429	50.2
69.07074	8.9
70.06586	11.8
71.04981	8.5
71.59910	3.6
71.60317	3.5
72.08166	4.6
79.05495	10.6
81.03406	5.4
81.07059	22.0
83.04986	41.2
83.08631	9.8
84.04496	4.6
85.02907	32.2
85.06519	5.5
86.09702	4.8
87.04457	24.8
91.05492	8.6
93.07046	25.2
95.04970	45.7
95.08605	20.7
96.43249	3.1
97.02895	39.3
97.06533	11.9
98.97611	4.7
99.04461	8.7
100.31007	3.0
102.05582	4.0
105.07052	21.5
107.08589	27.7
108.08213	3.2
109.02871	4.1
109.06516	36.8
109.10143	32.0
111.04456	3.7
111.08092	7.5
113.09666	3.5
115.03935	35.0
116.98630	4.3
117.07013	3.1
119.08595	17.2
120.08092	5.1
121.10141	34.6
123.08086	9.0
123.11700	11.4
125.09657	8.1
127.03946	9.2
131.08560	10.8
131.67827	3.0
133.04971	33.3
133.10135	58.2
134.99619	3.0
135.08089	13.6
135.11676	15.4
137.06020	3.1
139.11217	9.4
143.08568	5.2
145.04967	4.7
145.10136	10.4
147.11681	16.0
149.09557	8.1
149.13228	25.2
150.07594	6.7
151.07492	3.2
151.11191	9.0
153.09140	23.8
158.10971	4.7
159.11670	4.1
163.14847	7.7
167.14333	15.5
173.13274	47.8
175.14822	3.4
189.12724	3.6
191.14301	65.8
207.13831	5.9
209.15358	100.0
212.42296	3.4
227.16458	15.5
279.09924	12.8
306.11411	3.5
347.69070	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.8
56.05041	2.6
58.99591	2.9
67.04238	1.3
68.05035	2.1
68.58743	1.1
69.03434	1.1
70.06138	3.2
70.06562	3.4
74.00661	5.4
76.01820	1.7
76.02229	19.2
76.04002	1.5
80.05012	2.0
82.06564	1.7
83.06123	3.1
84.04504	46.1
85.04021	3.0
86.00648	5.2
86.06053	1.6
86.99062	2.6
98.00623	3.2
99.01416	5.0
99.05592	1.4
100.02178	6.5
101.07131	2.2
102.00144	3.3
102.05556	2.4
104.01688	1.6
105.97852	5.1
107.06085	1.8
107.99403	4.8
108.04458	3.6
109.07657	6.5
110.06049	2.8
112.02176	2.7
112.03969	1.6
113.01774	1.5
116.01656	2.8
127.00892	4.2
129.06578	2.2
129.10287	1.3
130.05013	35.9
131.02774	1.8
131.04579	5.7
131.98402	2.3
131.99374	37.6
135.05540	2.5
136.03958	1.4
139.03252	3.7
140.01646	2.3
142.03212	8.5
142.04962	1.7
144.01138	2.0
147.07619	7.0
153.06607	9.9
154.05009	2.1
155.08147	7.7
156.06543	1.3
157.00739	1.3
158.02748	1.8
159.02243	4.4
159.98882	11.7
162.02232	5.0
163.03822	1.4
170.02721	5.1
171.07692	3.3
174.00438	2.3
177.01517	10.2
177.03133	2.4
179.04900	4.2
181.06042	11.9
184.06020	3.8
185.03825	28.4
185.05493	3.6
187.05499	2.3
188.03795	2.0
190.99396	1.5
194.25146	1.2
198.65340	1.2
199.07138	9.1
210.43883	1.1
211.02042	6.5
213.03339	1.2
215.04936	3.3
216.03220	5.8
217.99319	1.3
231.04346	93.4
233.05875	10.0
235.02103	9.2
243.02626	3.7
255.04286	1.5
256.05124	3.0
259.89365	1.2
261.03580	8.1
263.01514	9.9
265.03198	6.1
271.02042	12.0
289.03085	19.0
299.06897	2.4
306.05765	68.2
308.09106	2.4
317.02588	14.0
323.79678	1.1
334.05255	100.0
372.06772	2.4
381.09015	1.9
391.07208	2.1
392.05859	2.0
398.59113	1.5
400.06134	2.1
409.08450	21.0
520.11499	4.8
538.12640	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	537.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.6
54.89153	2.9
55.01868	3.5
55.05505	31.1
57.03435	5.7
67.05505	51.0
69.03426	51.4
69.07066	21.9
69.71913	18.5
71.05018	15.4
79.05490	39.4
81.03417	39.1
81.07055	100.0
83.04993	17.7
83.08615	19.8
85.02897	8.5
85.06528	7.8
91.05477	49.4
93.07040	44.8
95.01287	3.4
95.04973	9.0
95.08604	81.9
97.02898	7.2
97.06526	19.5
97.10145	6.7
99.04464	11.0
99.08097	8.0
105.07036	41.7
107.04947	3.8
107.08614	21.3
109.02872	11.7
109.06509	12.8
109.10166	16.2
111.04479	5.4
111.08069	6.3
117.07011	9.2
119.08589	41.6
121.06519	6.8
121.10162	15.1
123.04481	4.5
123.08060	10.3
127.03914	30.8
129.06979	4.3
131.08551	10.1
133.06482	4.2
133.10141	28.9
135.08023	6.0
135.11673	17.2
137.13281	8.4
143.08575	3.6
144.63550	2.7
145.10129	10.4
147.08029	4.9
147.11708	5.8
149.05954	5.8
149.13278	5.2
151.07536	17.2
157.10115	4.8
159.08032	3.6
159.11661	6.7
161.09631	6.1
161.13251	60.4
171.11688	5.0
173.11732	11.8
179.14319	35.0
197.15436	5.4
207.13953	4.4
209.15321	4.9
225.14958	6.8
237.14861	11.3
245.15536	4.5
251.16408	4.2
259.17059	3.6
263.16370	4.7
269.15503	3.7
277.18005	4.3
287.16425	9.2
293.17303	3.3
305.17560	25.5
306.34747	3.1
323.18610	13.4
357.27640	4.7
375.29092	4.0
498.83212	3.2
501.32242	10.4
519.33313	17.5
522.57477	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.05508	4.0
56.05025	3.4
57.03433	1.2
60.04523	8.0
67.05499	1.6
69.03442	2.0
70.06595	3.3
71.58932	1.1
71.59322	1.4
72.08154	32.7
76.04003	1.4
76.07634	2.1
79.05496	2.0
81.03411	2.7
82.04627	0.9
82.06573	6.8
82.06990	1.1
82.48563	1.0
83.07349	1.1
84.04501	1.8
84.08142	100.0
85.02907	3.1
86.09708	3.8
87.02727	1.4
87.05585	7.2
91.05480	2.4
93.07054	3.4
95.04961	1.2
95.08593	1.8
96.08192	1.4
96.28658	1.2
97.02905	2.3
101.04271	6.7
101.04866	1.0
103.05479	1.1
104.98341	2.2
107.04945	1.4
109.02931	1.3
109.06593	1.1
110.06076	1.6
114.03786	1.4
114.09160	14.6
120.08123	2.2
121.06506	2.3
122.03634	1.3
123.08076	1.7
125.04245	1.7
127.03928	2.4
129.10272	3.6
130.08665	4.0
130.12337	3.1
133.06554	1.2
137.05997	9.5
138.09206	1.4
138.61354	1.1
151.03961	2.8
159.03104	2.2
159.11287	26.9
167.07106	2.1
177.00813	1.2
177.04062	8.8
187.02522	4.4
187.10934	2.9
205.03503	9.9
205.48584	1.0
206.15494	1.8
251.10345	1.2
269.18924	1.2
270.09741	12.6
288.10858	24.2
288.13791	1.4
315.09988	1.7
333.13049	5.6
351.14063	90.7
357.13422	1.9
375.12143	1.3
375.14719	1.1
375.19135	1.5
450.21417	4.1
519.23297	5.6
537.24280	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	537.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01868	0.7
55.05508	1.5
56.96556	1.0
57.03433	0.5
61.02959	0.3
65.39401	0.3
67.05499	3.5
69.03429	2.3
69.07080	2.1
70.06561	0.4
71.04987	1.6
71.30360	0.4
71.36761	0.3
73.02877	0.3
79.05499	2.1
81.03419	3.7
81.07056	6.4
83.04971	1.1
83.08607	1.3
85.02902	1.6
85.06537	1.3
89.03934	0.5
91.05469	2.5
93.07046	3.1
95.04950	1.6
95.08601	6.8
97.02877	1.5
97.06532	2.6
97.10165	0.6
98.97588	0.7
99.04452	0.7
99.08105	0.8
105.03429	0.5
105.07040	2.8
107.04913	0.4
107.08586	1.6
109.02876	2.0
109.06492	1.0
109.10133	1.0
111.04464	0.6
111.08069	0.5
116.98611	0.9
117.06992	0.5
119.08591	3.2
121.06441	0.4
121.10129	1.4
123.04423	9.1
123.05312	0.5
123.08073	0.7
127.03921	3.4
128.35773	0.3
131.08557	0.8
133.02863	8.2
133.10106	1.8
135.04398	1.2
135.08051	0.4
135.11674	1.2
137.09596	0.7
137.13277	0.5
143.08574	0.4
145.10124	0.6
147.11700	0.5
151.03891	3.3
151.07474	0.4
157.10181	0.7
159.11761	0.8
161.13257	4.5
171.11716	0.4
173.09669	0.4
173.13258	0.5
175.14809	0.4
179.03392	100.0
179.14313	4.0
180.03755	0.7
195.13867	0.6
197.13611	0.4
197.15309	1.9
237.14961	0.4
279.10522	0.5
287.16428	0.6
305.17480	1.4
307.12103	1.1
311.12759	0.4
323.18518	3.6
325.13187	0.9
341.19589	1.1
343.14270	0.4
385.15475	0.5
409.15509	0.4
469.17303	0.7
495.22620	0.4
537.26624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
53.03931	0.6
55.01875	0.4
55.05511	1.4
57.03426	0.5
65.03938	0.1
67.05501	3.6
69.03425	1.9
69.07066	1.5
69.56001	0.6
69.56425	0.7
71.04988	1.4
73.02917	0.3
77.03918	0.2
79.05487	2.2
81.03418	3.5
81.07053	6.0
83.04971	0.6
83.08626	1.3
85.02914	1.6
85.06551	1.0
86.09709	0.2
89.03896	0.4
91.05469	2.2
93.07032	2.3
95.04951	0.8
95.08604	6.3
96.04442	0.2
97.02879	2.0
97.06535	1.8
97.10168	0.4
98.21531	0.3
99.04437	0.5
99.08086	0.6
101.16334	0.2
105.03402	0.5
105.07031	2.5
107.04970	0.4
107.08597	1.2
109.02888	2.1
109.03605	0.3
109.06498	0.5
109.10143	0.8
111.04427	0.5
111.08064	0.5
117.03343	0.3
117.07008	0.6
119.04884	0.2
119.08584	3.0
121.06493	0.4
121.10140	0.8
123.04427	8.6
123.08054	0.7
125.09596	0.2
127.03920	3.0
127.07571	0.2
131.08560	0.6
133.02850	8.8
133.06519	0.2
133.10129	2.1
135.04402	1.6
135.08054	0.4
135.11703	1.1
137.09610	0.2
137.13268	0.8
143.08528	0.3
145.04987	0.5
145.10150	0.3
147.07915	0.2
149.13223	0.4
151.03889	3.2
151.07491	0.2
157.06461	0.1
157.10120	0.3
159.08087	0.2
159.11638	0.4
161.13257	5.0
173.11710	0.2
173.13239	0.2
177.12691	0.4
179.03387	100.0
179.14284	4.0
180.03677	1.2
183.11667	0.2
191.14310	0.2
195.13742	0.5
197.15356	1.9
213.14755	0.2
215.14282	0.2
215.16351	0.4
221.15303	0.3
225.15033	0.2
233.15077	0.2
237.14899	0.3
239.16263	0.2
263.16321	0.2
269.15414	0.2
277.18124	0.2
287.16394	0.8
305.17459	1.3
323.18515	3.3
340.02393	0.2
341.19547	1.4
359.20490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
54.06524	1.0
55.01883	7.9
55.05496	2.8
57.03441	5.6
57.07045	1.1
57.86036	1.0
61.02926	3.9
64.19954	1.1
65.03941	1.0
67.05515	3.5
68.99782	5.0
69.03429	40.2
69.07069	3.3
70.06596	3.7
71.01319	2.0
71.04995	7.9
72.08162	1.6
73.02921	9.1
76.28534	1.1
79.05488	7.6
81.03416	38.9
81.07052	24.5
83.01334	1.4
83.04967	2.9
85.02902	49.0
85.06534	5.0
86.09709	3.1
87.00830	23.6
87.04470	2.6
87.77660	1.1
91.03942	2.3
91.05477	7.9
93.07063	6.0
95.04951	7.2
95.08594	7.1
97.02888	21.9
97.06544	3.1
98.21501	3.0
99.04453	13.4
103.03928	1.7
105.01873	13.7
105.07037	10.6
107.04955	5.8
107.08592	6.6
109.02878	34.3
109.06516	36.9
109.07248	2.1
109.10173	1.7
111.04490	1.5
115.03932	1.0
115.05473	2.5
117.01882	3.9
117.07050	5.5
117.07796	1.1
117.55783	1.1
119.04981	2.7
119.08574	16.8
121.06520	3.8
121.10142	3.1
123.08082	5.7
125.06045	1.1
127.03913	42.1
128.06232	2.9
129.01854	2.5
129.07005	3.8
130.07776	1.2
131.08591	7.2
133.06493	2.2
133.10123	7.8
134.76936	1.1
135.04414	1.5
135.08075	6.5
135.11723	1.6
135.90092	1.0
137.05948	5.9
137.09595	1.8
141.07014	2.9
142.07787	3.0
143.08530	9.3
144.05756	1.4
144.09373	2.7
145.04961	12.5
145.06503	4.0
145.10121	13.1
146.39528	1.3
147.02936	1.6
147.08054	8.9
147.11732	3.0
149.05998	1.5
149.09676	3.6
151.03983	2.6
151.07533	8.3
155.08565	4.6
156.09410	4.3
157.10161	7.3
158.07257	1.3
159.02890	15.4
159.08054	9.9
159.09062	1.0
159.11700	20.5
160.08870	2.2
161.09663	10.5
163.11238	2.0
165.09149	2.0
167.08685	1.5
169.10120	7.9
170.10966	2.4
171.08105	2.4
171.11662	16.3
172.08820	2.2
173.09610	15.3
173.13330	1.5
175.07481	2.0
175.11208	2.6
177.09169	1.6
179.08427	1.2
181.10210	4.0
183.08031	1.4
183.11664	2.1
185.09706	2.2
185.13246	4.9
186.14008	1.2
187.11179	10.2
187.14862	3.9
188.12036	1.5
189.09160	5.8
189.12820	3.5
191.10728	3.9
195.11697	4.1
196.12471	7.2
197.09656	2.9
198.10468	1.7
199.11127	1.7
199.14816	1.2
201.09099	1.4
203.10635	13.6
203.14339	1.1
205.12326	2.5
207.13774	1.3
209.13280	1.5
211.14822	17.5
213.03938	2.4
213.12764	8.1
215.10672	16.7
227.14291	1.8
229.15872	42.2
231.05037	6.2
231.13820	2.0
233.11714	69.2
247.16812	6.0
253.15997	3.8
263.98257	1.3
271.16913	100.0
272.17288	2.4
273.18640	1.8
289.17963	51.1
290.18350	2.2
493.24524	4.1
537.23419	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16266	1.6
53.03930	3.3
55.01864	3.8
55.05510	6.1
57.03402	1.9
62.02901	1.3
66.51333	1.2
67.05495	12.7
67.05804	1.9
69.03410	7.1
69.07072	10.6
70.06591	3.4
71.04988	5.8
71.60362	1.4
79.05495	11.6
81.03423	8.1
81.07054	28.8
83.04523	2.4
83.04981	18.7
83.08606	4.2
85.02892	7.0
85.06531	4.5
86.09692	2.1
87.00833	3.8
91.05467	9.9
93.07044	37.9
95.04969	11.6
95.08605	31.8
97.02877	4.2
97.06531	21.1
99.04442	14.4
99.08128	1.5
101.05988	1.4
103.05489	1.9
105.07018	26.1
107.04939	5.5
107.08588	17.0
109.02878	3.7
109.06516	20.6
109.10149	6.0
111.08086	15.8
113.06041	3.9
119.04912	1.9
119.08573	12.9
121.06505	57.2
121.10139	5.0
123.04474	2.4
123.08067	2.6
123.11706	7.1
125.05995	15.2
127.03914	8.8
127.07552	9.9
129.07013	4.3
131.08537	4.2
133.06479	3.0
133.10118	15.5
135.04419	2.7
135.08044	9.6
135.11717	1.7
137.05977	3.5
137.09601	2.2
139.07541	15.9
141.05470	2.1
142.07777	1.9
143.07021	13.7
143.08543	5.4
145.10097	5.5
147.08073	2.3
147.11681	35.6
149.09578	2.8
151.11201	7.8
157.08600	9.7
157.10120	12.7
158.87723	1.8
159.06509	8.4
161.13228	8.8
163.03934	2.2
163.07448	1.5
165.12733	9.6
169.08665	2.1
169.12248	16.5
171.11659	12.1
173.09598	3.1
175.07558	1.6
175.11182	21.1
177.09169	1.8
181.10081	2.4
189.12718	15.8
191.10634	1.8
191.14250	2.8
193.12256	21.0
199.11142	20.8
207.13831	15.0
211.13298	26.8
217.12239	58.8
225.14854	3.0
229.14343	12.4
235.13283	86.4
237.11169	2.0
238.04578	2.0
253.14336	100.0
271.15396	14.7
289.16498	10.6
296.70297	1.5
296.73645	1.6
461.61612	1.8
537.21472	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	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59204	1.1
69.38669	11.7
79.05480	3.8
81.07077	1.5
91.05481	7.9
94.04175	3.8
95.04976	1.7
97.54122	1.1
103.05499	3.6
105.07039	8.8
107.04955	6.2
109.02895	1.4
109.06506	2.0
115.05425	3.6
117.06984	1.9
119.04949	7.6
119.08559	2.5
120.05659	1.2
121.06519	3.0
122.03669	7.0
128.06248	2.3
129.06985	3.2
131.04944	5.9
132.05719	2.8
133.06491	7.4
135.04437	2.1
137.05978	100.0
145.06419	1.6
147.04410	9.0
147.08038	3.2
149.05988	5.2
156.05658	1.6
159.08051	4.9
160.05197	2.3
161.05989	19.9
162.06816	1.5
163.07570	2.4
165.06963	1.7
167.07028	1.2
171.04469	2.0
171.07990	1.4
172.05234	2.1
175.07553	21.4
177.05560	1.2
178.07869	1.1
179.07060	3.0
179.08585	2.0
184.05179	2.4
187.07561	18.5
189.05429	2.7
189.07030	3.2
189.09204	1.5
190.07770	4.6
191.08548	6.7
192.09036	1.2
198.06714	1.3
199.07510	11.9
202.07727	5.8
203.08557	9.4
204.09236	1.6
205.06584	2.6
205.10190	1.5
206.07396	1.5
207.08040	2.0
215.08611	6.0
216.07761	2.0
217.06465	1.5
217.08545	1.7
218.07222	8.1
219.08054	14.7
220.08810	3.0
221.09541	3.3
231.08002	9.1
232.08820	3.5
233.09589	8.0
234.06700	2.1
235.07507	4.7
235.11150	1.3
236.08345	2.3
246.06793	5.0
247.07568	6.4
248.08313	3.4
249.09100	6.8
250.09976	2.0
251.10646	11.0
251.96188	1.3
253.08571	1.5
258.06741	1.5
259.07547	4.4
260.08261	2.6
261.09174	11.2
263.07071	1.8
263.10669	3.3
265.08627	4.0
273.08984	1.3
276.07880	1.8
276.93484	1.2
277.08636	5.9
278.09198	5.4
279.10129	10.3
280.10727	1.9
289.08603	12.0
290.09314	2.0
291.10172	8.8
292.10956	2.7
293.08508	2.2
293.11682	11.8
295.09885	1.5
295.13150	2.7
296.10455	1.5
297.11206	3.8
308.10339	1.5
309.11230	30.7
311.12720	19.8
315.12390	2.0
321.11224	34.5
322.11600	2.1
323.12695	8.1
335.12790	2.1
433.42490	1.2
459.17410	1.2
537.20770	2.1
556.88239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
56.96569	0.5
65.03921	0.7
67.05505	0.6
68.90186	0.4
69.03408	0.5
70.19404	1.7
71.05012	0.6
72.32672	0.5
76.17245	0.6
78.04685	0.5
79.05481	2.0
81.07047	1.4
85.02916	1.1
91.05467	5.1
94.04198	3.4
95.04976	0.9
95.08606	0.6
103.05463	2.0
104.06254	0.9
105.07034	4.3
107.04969	2.5
109.06532	1.8
115.05458	3.0
116.98590	0.5
117.07030	1.9
119.04954	1.2
119.08582	3.0
121.06500	1.7
122.03651	7.4
123.08047	0.7
128.06219	2.1
129.07010	4.0
131.04913	3.0
132.05734	2.5
133.06477	3.7
135.08034	1.2
137.05975	100.0
138.06252	0.6
141.06998	0.9
144.05647	0.8
145.06465	2.1
146.03629	1.6
147.04373	2.2
147.08037	3.4
149.05962	1.7
151.03902	1.7
151.07550	2.3
152.06227	0.6
155.04958	0.9
155.06110	0.6
157.06429	0.8
159.08057	2.0
159.11725	0.7
160.05185	2.5
161.05980	12.2
162.06815	1.1
163.07561	1.7
165.06953	4.0
165.09158	0.6
166.07744	1.9
167.08572	0.9
168.05707	0.5
170.07358	0.5
171.08072	0.5
172.05281	0.8
174.06758	1.1
175.07552	28.2
177.05568	0.9
177.07028	1.4
177.09148	1.1
178.07805	1.4
179.07030	1.3
179.08513	2.1
181.06532	1.0
182.07281	1.5
183.87483	0.5
185.05942	1.0
187.07552	6.9
189.07062	1.1
189.09113	2.2
190.07797	0.9
191.08606	0.8
193.06551	2.0
193.08609	4.6
194.07271	6.7
195.08072	1.3
196.08823	0.6
197.06013	0.6
199.07506	2.4
201.05516	0.6
202.07724	1.2
203.08543	1.4
205.06500	3.6
205.08549	1.3
206.07268	1.9
207.08051	1.9
209.06030	0.5
209.09630	1.5
210.06775	1.3
211.07565	1.3
215.08632	1.2
217.06503	0.9
217.08441	0.6
218.07318	0.9
219.08029	1.8
221.05995	4.2
221.09605	0.9
222.06760	5.5
223.07524	1.2
224.08344	1.4
225.05469	0.5
225.09160	2.6
227.06903	0.7
231.08127	1.4
232.08792	0.9
233.05991	1.3
234.06917	2.4
235.07544	1.9
236.08322	0.7
237.09088	6.9
238.06291	1.3
239.07085	1.0
239.10664	1.2
243.08084	1.5
244.08803	0.5
246.06743	0.8
248.08333	1.4
249.05299	0.7
249.09135	3.9
250.06190	1.9
250.09947	1.0
251.06943	1.6
252.07843	1.3
253.08589	3.2
254.09386	0.9
259.07614	1.1
260.08237	1.1
261.09143	1.5
262.06256	0.9
263.07071	0.9
263.10730	1.1
265.08578	20.3
266.09460	1.0
267.06540	0.5
267.10229	2.6
268.07343	1.4
271.07562	1.6
273.08936	0.6
274.06287	0.6
274.09753	0.5
275.07050	0.6
275.10648	1.6
276.07733	0.7
277.08536	4.6
278.09128	0.6
279.06717	0.7
279.09906	0.7
281.08087	1.2
281.11758	0.9
282.08865	1.3
283.09662	4.3
285.11218	9.1
288.08072	0.7
289.08536	1.2
289.18097	1.0
291.10101	2.2
293.07944	0.6
293.11847	0.6
294.08875	1.6
295.09595	2.0
297.11212	27.4
303.10165	3.9
308.10928	0.5
309.11182	6.6
310.12039	1.1
315.12531	1.0
319.10953	0.7
321.11227	2.9
323.12796	2.6
327.12253	1.1
333.11124	1.1
335.13126	3.5
338.08984	0.6
339.12762	0.7
341.14072	2.9
347.11063	0.5
353.14200	2.6
355.33453	0.5
364.10928	0.6
365.13718	0.9
366.04260	0.6
367.13379	0.8
379.13174	0.7
395.12854	1.0
399.16043	0.7
407.12543	0.6
411.16135	0.7
421.14761	0.6
427.15485	1.8
439.15375	2.5
451.14969	1.0
457.16476	1.8
459.17935	5.3
471.18069	4.6
483.17938	0.9
489.18884	1.7
501.18781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38894	1.0
51.43202	1.0
53.03938	1.7
55.01865	1.3
55.05509	1.3
65.03932	2.1
65.39286	1.0
66.04707	1.1
69.03420	2.4
69.40517	8.1
70.06585	1.1
71.04977	1.2
79.05493	4.3
81.03417	3.1
81.07063	3.6
85.02913	1.6
87.00829	1.1
91.05485	11.0
93.07037	1.4
94.04195	2.6
95.04979	1.9
95.08640	1.5
97.06483	1.2
103.05477	11.4
105.07031	11.9
107.04962	8.9
109.02876	1.8
109.06499	5.0
111.04501	1.6
115.05475	5.8
118.04152	1.2
119.04932	7.7
119.08583	2.2
121.06516	3.4
122.03674	9.3
128.06212	3.5
129.07019	3.5
131.04922	21.7
131.08557	1.5
132.05707	3.8
133.06468	7.6
135.04382	2.6
135.08055	1.7
137.05980	100.0
144.05745	1.6
145.06474	2.2
145.10132	1.3
146.03566	1.5
147.04427	10.0
147.08043	3.9
149.05980	6.1
151.03911	1.6
151.07532	1.9
159.08049	6.2
159.11737	1.0
160.05223	3.2
161.05971	20.1
162.06743	1.8
163.07536	7.4
165.06993	1.9
165.59093	1.1
171.04420	1.6
171.08105	1.3
172.05228	3.7
173.06088	1.0
173.09607	1.6
175.07552	27.9
177.08992	1.3
178.07802	2.1
179.07010	2.7
179.08440	1.9
184.05223	2.0
185.06061	2.4
186.06766	1.3
187.07530	18.3
189.05452	2.1
189.07025	3.7
189.09071	2.1
190.07742	5.0
191.07031	1.8
191.08543	8.1
195.08083	1.6
199.07567	13.2
202.07805	6.7
203.06937	1.5
203.08600	11.0
205.06502	3.8
206.07280	3.0
207.08011	2.8
211.07516	1.2
215.08649	6.5
218.07234	9.2
219.08060	16.6
220.08841	3.5
221.06035	2.3
221.09589	7.0
222.06857	1.3
231.08069	7.9
232.08884	5.5
233.09618	8.0
233.11731	2.9
234.06798	3.4
235.07523	5.2
237.09123	2.0
245.06105	1.6
246.06810	4.5
247.07521	6.7
248.08292	3.4
249.09010	10.0
250.09837	4.0
251.10760	10.9
253.08705	2.0
259.07550	4.4
260.08356	2.9
261.09183	12.1
263.07019	3.4
263.10736	3.9
264.07809	2.5
265.08606	4.7
267.10175	1.8
271.16959	4.7
274.06320	2.2
275.07016	1.4
275.10486	1.5
276.07721	2.6
277.08600	7.6
278.09409	5.8
279.10126	10.5
281.08334	2.2
281.11777	3.1
283.09763	1.7
285.11249	3.0
289.08554	10.6
289.17950	2.2
290.09409	1.9
291.10153	8.8
292.10925	2.9
293.11649	11.3
294.08777	1.2
295.09702	1.9
295.13306	1.8
297.11267	3.7
307.09747	1.4
308.10132	1.3
309.11237	47.1
310.11618	1.5
311.12805	15.9
315.12097	2.1
321.11209	40.8
322.11697	1.6
323.12781	8.1
335.12677	2.7
367.11951	1.2
445.67621	1.1
469.16818	1.2
519.19806	1.7
537.22656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	37.0
57.03442	10.1
57.07060	20.5
60.08151	14.8
67.05506	63.5
69.07066	72.6
70.08842	24.6
71.08617	12.5
79.05485	23.2
80.44295	5.9
81.07054	56.6
83.08614	52.5
86.09690	56.0
89.36379	6.0
91.03931	6.6
93.07032	24.9
95.08620	53.4
97.06520	14.2
97.10158	30.6
104.10735	66.9
107.08599	20.9
109.10142	26.3
111.08036	7.9
111.11736	7.8
121.10147	46.1
121.14728	5.6
123.11737	11.4
124.99993	30.7
126.99668	5.9
135.11705	45.3
149.13286	18.1
151.14824	7.0
184.07359	100.0
206.04300	6.2
247.24168	49.1
265.25247	82.7
272.27405	6.1
283.26447	17.5
339.28876	91.6
350.40091	6.6
357.29892	17.2
518.35260	6.8
536.37659	30.2
536.44513	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	537.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.88016	0.6
55.01880	0.6
56.05033	0.9
57.03438	0.7
60.04512	1.2
60.70661	0.5
60.74874	0.6
61.60678	0.5
65.03931	4.1
67.05485	1.9
69.03431	3.0
70.06574	1.9
71.60093	0.7
71.60497	0.5
72.08159	3.6
73.02925	0.9
74.06077	0.6
79.05488	3.3
79.19127	0.5
81.03407	1.3
81.07051	1.3
82.04189	1.3
82.06573	0.6
84.04512	0.7
84.08141	12.7
85.02904	9.3
86.09705	1.2
87.05588	0.5
91.05464	2.2
93.03378	1.4
93.07007	0.8
94.04167	1.4
95.04950	2.3
97.02879	3.9
97.06498	1.2
99.04456	0.7
101.04239	1.1
101.39741	0.6
103.05463	1.2
105.04536	0.5
105.07019	0.9
107.04952	5.7
107.08565	0.6
108.02114	0.6
109.06519	0.9
110.03616	1.7
111.04440	1.9
114.09177	1.2
115.05441	1.1
117.07037	0.9
119.08529	0.7
120.08113	2.9
121.10091	0.7
122.03659	3.1
123.11709	1.9
124.05167	0.8
124.12046	1.1
125.05959	2.3
127.03915	1.0
128.48203	0.5
129.10246	1.1
130.08614	0.7
131.04906	2.5
133.04997	1.0
133.06465	1.9
137.05971	49.2
138.03136	0.7
138.36623	0.5
142.02582	1.6
145.06497	2.8
145.10129	0.7
147.04565	0.6
147.11646	1.4
151.03900	9.8
153.05431	1.0
159.08101	1.1
159.11264	2.9
161.05995	3.2
163.03893	0.6
163.07494	2.6
167.07036	25.5
171.06508	5.1
173.05971	1.6
175.07573	3.4
177.04027	1.8
177.10190	2.0
181.04951	100.0
182.05327	1.0
189.05492	1.8
189.12749	3.6
190.13104	3.9
191.07053	3.2
193.08588	0.7
201.00180	0.6
203.07057	2.5
205.03485	0.9
205.08508	1.3
206.05602	0.6
207.13805	1.9
208.14133	1.8
218.56422	0.6
221.08037	5.8
225.09021	1.5
231.05040	0.7
233.08070	1.8
237.02835	0.7
251.09164	3.3
256.27185	0.7
263.06924	1.2
270.09683	1.3
275.15988	0.7
288.10812	2.1
288.13651	1.0
333.13040	1.8
345.13361	2.6
351.14038	8.7
357.13321	19.5
375.14441	15.1
387.20337	0.7
519.23016	1.3
537.17920	3.3
537.25226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24858	0.3
53.99540	0.3
54.25751	0.3
55.05509	0.4
55.66344	0.3
56.05018	0.5
57.03395	0.3
58.06590	0.4
60.07878	0.6
60.08163	9.2
65.03926	0.3
67.05486	1.3
69.07047	0.5
71.05368	0.3
71.07368	3.1
71.60153	0.4
79.05466	0.7
81.07050	1.0
83.08601	0.5
85.75352	0.3
86.09704	35.3
87.63984	0.3
89.56677	0.3
93.07018	0.4
93.72326	0.3
95.08567	0.7
98.98469	2.4
104.10741	33.1
105.06974	0.5
107.08586	0.6
125.00004	18.8
184.07336	100.0
185.07634	0.6
219.98117	0.3
247.09067	0.4
256.01599	0.3
287.05435	0.6
288.05856	0.8
292.55554	0.5
333.17117	0.4
508.44492	0.4
518.32422	3.2
536.25311	0.6
536.33478	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	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41581	1.1
52.66130	1.3
53.03954	1.7
55.01868	1.3
55.05505	1.7
57.03426	5.3
57.07050	1.0
59.04999	2.3
60.04528	1.6
61.02922	1.6
65.03948	1.2
67.05500	4.6
69.03430	21.5
69.98160	5.8
70.06579	5.8
71.04968	2.0
72.08155	3.8
73.02894	1.0
74.06090	1.7
76.04012	2.1
76.07649	2.5
79.05493	3.9
81.03414	3.1
81.07049	13.0
83.04945	1.1
83.08593	1.6
84.04491	2.9
84.08134	6.6
85.02902	69.8
85.06555	1.3
86.09693	3.7
87.04477	10.5
91.05460	13.2
93.07062	2.8
95.04963	3.5
95.08614	4.2
97.02892	17.5
97.06516	1.0
98.97612	1.5
99.04443	1.5
103.05451	1.1
105.01889	1.7
105.07019	14.3
107.04957	3.3
107.08576	5.3
109.02894	1.5
109.06525	3.2
109.10151	7.1
111.04427	1.4
115.03925	10.9
115.05482	2.4
117.07024	2.1
119.08593	16.0
120.08118	2.0
121.06529	1.8
121.10129	7.5
123.11705	57.5
124.07605	1.5
125.05982	3.7
127.03898	3.8
129.10179	1.2
130.07800	1.9
131.04930	1.4
131.08575	4.6
133.04977	10.3
133.06485	6.3
133.10158	1.9
137.05989	11.8
141.07014	1.6
143.08565	2.4
145.04956	4.1
145.10117	17.8
147.08054	3.6
147.11690	29.6
149.09616	5.0
151.03885	3.7
151.07527	2.4
152.04254	1.5
156.09364	5.8
159.11595	2.6
161.09669	1.3
161.13283	1.7
165.12813	1.8
167.07086	6.1
171.11713	3.1
174.10510	1.4
175.07567	1.3
181.04942	18.7
189.12741	100.0
207.13811	49.1
225.14868	11.8
230.92921	1.1
231.21059	1.4
237.02916	1.5
255.94968	1.2
257.23511	1.3
259.08478	1.1
271.94638	1.2
288.05804	3.4
299.06320	1.9
321.16830	1.7
342.12372	2.1
351.14029	1.8
357.13370	3.4
375.14468	2.8
495.14426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24212	1.8
53.03941	5.9
54.31934	1.7
55.01855	5.2
55.05506	2.6
57.03433	3.8
59.96833	1.8
61.02910	2.0
64.09046	1.7
67.05493	4.8
68.99763	3.0
69.03445	12.0
69.07069	4.2
71.04992	5.5
71.39725	4.4
73.02918	3.6
76.02203	2.1
79.05495	5.7
81.03406	15.0
81.07057	17.9
85.02904	29.8
85.06539	2.9
87.00827	11.0
91.05509	4.3
93.07048	14.6
95.04948	4.3
95.08606	6.5
97.02885	11.0
97.06528	7.5
98.97612	2.8
99.04425	10.8
105.01852	6.9
105.07034	16.3
107.08586	14.3
108.04446	3.8
109.02878	12.7
109.06503	7.7
109.10123	4.0
111.08054	2.8
116.98637	2.5
119.08569	9.6
121.06521	10.9
121.10121	8.9
123.08070	7.4
123.11742	13.3
127.03934	16.6
127.07576	5.8
129.38443	2.5
131.08589	3.3
133.10152	2.3
135.08061	5.5
137.09572	2.1
137.13214	2.8
139.07549	4.4
143.07080	2.5
145.04929	6.4
145.10103	6.0
147.11685	55.5
149.09558	1.9
149.13211	2.6
157.10138	3.5
159.02876	6.2
161.13251	2.7
165.12749	54.4
169.08562	2.3
169.10028	2.3
171.11742	3.2
173.09569	2.5
175.11180	4.7
183.13826	12.6
189.12720	3.3
191.14299	3.8
193.12282	14.9
199.11206	4.0
207.13782	6.8
209.15376	8.2
217.12251	12.2
224.04555	2.1
224.45932	1.9
229.14337	44.3
235.13301	21.2
253.14362	100.0
267.22699	2.1
271.15372	5.5
287.05487	7.2
287.58914	2.1
288.05795	16.4
289.11017	4.4
307.12418	3.1
324.11368	3.1
324.50168	2.3
343.15714	2.2
361.16406	2.6
427.46768	2.0
432.19159	3.0
448.25037	1.9
451.16379	2.1
536.11133	2.3
536.20142	3.4
564.10742	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45792	3.0
53.03933	4.6
55.01863	6.4
55.05510	6.1
56.96547	4.5
61.02907	3.2
67.05515	4.7
69.03425	12.2
69.07085	5.2
69.32317	10.5
69.32729	24.5
70.06592	21.3
71.04987	7.2
72.08163	3.9
79.05492	11.7
81.03411	13.1
81.07059	24.6
83.04988	4.9
84.08174	4.0
85.02904	21.2
86.09665	4.4
87.00819	12.7
91.03926	3.7
91.05494	10.8
93.07047	32.3
95.04967	8.1
95.08602	20.9
95.99494	3.8
97.02882	8.6
97.06525	11.6
98.97587	9.2
99.04456	10.6
105.01867	6.8
105.07040	17.3
107.04977	9.2
107.08601	16.6
109.02877	12.8
109.06509	15.3
111.08056	4.1
114.29134	4.0
116.98618	5.3
119.08584	11.7
121.06519	30.6
123.08028	4.4
126.05470	3.1
127.03918	15.6
127.07549	8.1
131.08545	6.4
133.10120	8.0
135.08061	7.9
135.11679	4.1
139.06343	3.0
139.07541	13.3
143.08478	4.2
145.04935	6.1
147.11667	28.3
149.13396	4.1
157.08679	7.3
157.10136	13.1
158.99704	3.4
159.02994	4.5
161.13249	8.8
165.12749	11.2
171.11661	12.5
173.13367	4.2
175.11183	10.6
176.03725	3.8
189.12764	15.1
191.14262	7.3
193.12259	13.5
194.43076	3.1
199.11237	13.9
207.13829	11.3
209.15326	6.4
211.13354	6.9
217.12253	52.2
229.14401	4.9
235.10945	4.8
235.13298	100.0
237.02779	3.6
253.14366	90.1
271.15210	7.3
339.20572	3.4
374.14020	4.4
386.32007	3.3
409.15161	12.2
427.16260	5.7
487.05478	3.5
529.13940	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	536.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01867	7.6
55.05516	3.4
57.03425	3.2
61.02917	4.6
67.05492	4.2
68.58616	1.9
69.03439	12.7
69.07070	3.8
69.14125	1.8
70.06595	12.6
70.17055	8.5
70.74148	2.0
71.05004	5.6
73.02923	4.4
73.35667	2.0
79.05494	9.0
81.03422	16.0
81.07059	16.6
83.04987	6.0
84.04477	2.2
84.08127	2.7
85.02900	27.4
85.06557	3.2
86.09702	3.2
87.00833	12.3
91.05474	8.6
93.07030	28.3
95.04982	6.8
95.08609	23.4
96.52260	1.9
97.02881	12.3
97.06534	12.4
97.85728	1.9
99.04463	14.8
99.70041	2.0
105.01880	7.4
105.07027	16.5
107.04953	6.6
107.08589	14.4
109.02859	12.8
109.06513	12.7
109.10138	4.6
111.08061	4.4
111.42612	1.8
116.01679	2.9
117.01846	3.1
119.08598	13.9
121.06503	36.1
121.10190	4.5
123.08106	2.9
124.03958	3.1
125.06009	3.6
127.03914	15.4
127.07548	7.5
129.07043	2.2
130.06540	2.2
131.08603	2.9
132.10254	2.7
133.10152	6.4
135.04419	3.1
135.08043	9.7
139.07526	14.4
139.23618	2.0
141.27594	2.0
143.06993	2.6
143.08563	7.7
144.01115	2.5
145.04956	6.3
145.10191	3.5
147.08054	3.3
147.11676	27.1
149.13185	2.8
153.09097	2.1
157.08777	4.3
157.10146	13.4
159.02907	7.6
161.13324	6.7
165.12759	12.8
171.11638	15.4
173.09604	4.2
175.11212	19.1
176.03767	5.3
179.12030	2.2
189.12708	14.0
191.14391	2.9
193.12263	13.7
199.11176	16.5
207.13776	13.4
209.15369	10.9
211.13342	5.7
217.12231	57.7
229.14409	6.4
235.13284	100.0
253.14351	92.8
271.15472	5.1
407.21530	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02593	1.2
55.01860	2.5
55.05502	5.9
57.03436	1.4
58.99580	16.5
67.05507	7.3
69.03412	3.2
69.07042	1.9
70.76228	2.8
71.04960	1.1
72.08150	1.2
73.60879	1.0
74.00661	2.3
76.02225	97.4
76.04005	4.5
79.05479	5.9
81.03422	24.8
81.07047	9.5
83.04980	7.9
83.06089	1.3
83.08612	10.2
84.04501	24.8
85.02893	2.8
85.04033	3.7
86.09731	1.3
86.99052	4.5
87.04462	1.2
88.02223	1.2
91.05480	9.2
92.01698	1.3
93.07033	3.9
95.04963	9.5
95.08598	2.8
97.01117	1.7
97.02869	2.1
97.06509	1.1
105.07028	7.2
107.04955	2.5
107.08578	2.9
109.06522	1.9
111.02680	1.1
111.08089	5.2
116.01680	22.2
119.08589	6.8
120.08108	1.3
121.10159	3.2
123.08057	2.8
125.09604	1.6
129.07060	2.4
130.04990	18.0
131.04530	4.3
131.08562	4.9
133.04961	1.3
133.10098	3.2
137.06006	1.1
142.03238	9.6
142.07820	1.2
144.01134	14.0
145.06050	2.5
147.07997	1.4
147.11671	4.2
149.09673	2.6
157.10106	3.7
162.02194	49.7
165.12788	1.2
170.02704	3.6
175.11182	5.5
177.03287	11.9
179.04851	100.0
187.05397	3.1
193.12228	17.8
193.13850	1.6
207.13777	2.9
211.13292	38.1
215.04947	1.3
231.04314	1.3
233.05916	26.5
245.05963	4.1
250.12503	1.4
268.13724	2.8
286.14655	1.9
290.08023	1.6
291.06531	2.0
302.77225	1.3
306.07654	1.4
308.09100	89.9
371.16452	2.1
374.13815	1.3
398.23169	1.2
518.21832	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2879
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
50.88383	0.6
52.71090	0.6
57.40351	0.6
66.05292	0.5
71.59899	0.6
71.60418	0.9
81.07053	0.9
83.24503	0.5
86.78875	0.6
86.85282	0.5
93.07036	0.6
95.08617	0.7
119.08591	1.0
164.66762	0.5
287.05634	2.9
377.69012	0.6
522.17053	0.8
535.28796	100.0
536.29028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	5.5
56.96553	7.0
58.99842	4.2
66.02827	4.2
67.05499	11.9
68.25836	4.6
69.07065	6.0
70.00284	19.1
77.00903	13.0
79.05481	7.9
81.03417	6.4
81.07059	10.8
87.96732	4.2
93.07061	6.4
95.01962	10.9
95.08600	11.4
105.07011	7.9
107.08624	5.2
119.01917	27.9
119.08606	8.4
137.02953	25.0
171.11961	4.9
219.12363	8.7
237.13353	100.0
255.14403	85.3
260.15027	16.7
273.15515	34.9
278.16037	10.3
279.14407	19.5
287.05563	33.9
297.15347	34.0
299.06229	4.4
315.16644	16.1
317.10495	5.2
320.17068	5.8
393.09009	6.8
411.09741	9.4
415.27054	4.6
471.12231	6.1
535.11322	6.5
535.31158	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.8
58.30501	2.8
65.03917	3.7
67.05499	4.1
68.99816	3.1
69.03414	4.0
69.07058	5.0
70.06575	4.7
71.04982	7.9
71.60004	4.1
79.05500	17.1
81.07062	6.3
83.04960	5.1
85.02898	8.3
89.03933	4.3
91.05479	28.8
91.37888	2.6
93.07063	7.5
95.04977	10.7
95.08589	6.8
97.02893	6.1
102.04730	3.6
103.05452	18.3
105.07019	28.6
107.04973	14.4
107.08553	4.5
109.06490	5.9
109.10152	4.9
111.04434	6.2
115.05452	14.3
116.06216	3.0
117.07018	8.6
119.04945	13.6
119.08567	10.1
120.08127	4.6
121.06478	7.7
122.03633	9.0
123.04462	6.2
128.06212	10.4
128.98447	2.6
129.06995	8.4
130.04166	9.4
131.04944	29.7
132.05679	6.5
133.02831	16.4
133.06519	22.7
133.10097	3.9
135.04428	17.5
135.11731	4.2
137.05983	100.0
141.06976	3.5
143.04945	4.1
144.05679	8.3
145.06404	4.5
146.03633	6.5
147.04411	35.0
147.08029	9.3
149.05978	27.2
150.06760	32.4
151.03893	16.8
151.07527	4.6
153.05472	23.9
155.08597	3.8
156.05647	4.4
159.04416	3.9
159.08063	29.5
160.05214	5.5
161.04646	2.9
161.05984	57.2
162.06758	40.5
163.03851	4.3
163.07535	12.2
165.05470	25.2
165.06926	6.4
167.07054	5.0
168.05664	3.5
172.05200	14.8
173.13237	3.2
175.03726	3.3
175.07549	60.4
177.05469	12.9
177.06842	5.2
178.07762	10.0
179.07011	5.6
179.08472	5.0
183.08061	2.9
184.05276	7.3
186.06830	4.1
187.07536	86.1
189.05443	7.3
189.06967	6.9
190.07787	8.4
191.07007	4.8
191.08598	8.5
193.06511	4.8
193.10129	4.2
194.07307	8.9
195.08058	5.6
199.07559	38.7
202.07718	8.4
203.06914	5.1
203.08574	6.9
205.06520	22.4
205.10243	3.4
206.07237	20.1
207.08083	10.1
209.09624	3.7
211.07536	5.4
217.06519	5.2
217.08461	5.3
218.07265	6.7
219.08124	18.3
220.08665	5.7
221.05998	10.4
221.09622	10.8
222.06848	13.5
223.07500	10.4
225.09129	4.2
231.08041	7.6
233.05943	10.6
233.09579	6.6
234.06766	24.2
235.07581	13.8
236.08461	4.5
237.02872	4.1
237.05249	3.0
237.09041	17.2
239.07080	6.2
241.08597	2.7
243.08081	4.5
245.06042	7.1
246.06746	6.0
247.07518	15.8
248.08368	7.6
249.05524	3.2
249.09152	19.8
250.06238	10.6
251.07059	16.6
253.08511	4.8
260.08319	5.9
261.05569	3.5
261.09058	11.8
262.06223	7.0
263.06958	7.9
263.10596	4.2
264.07938	7.2
265.08591	33.2
266.09280	9.0
267.06647	3.5
274.06116	4.7
275.07083	9.5
276.07919	4.5
277.08600	30.5
278.09402	6.4
279.06613	5.3
279.10080	6.7
281.08304	6.9
281.11737	12.6
282.08960	3.4
283.09546	3.0
287.05383	23.5
289.08649	10.9
291.10007	14.9
293.08142	21.1
293.11191	4.4
294.08768	7.4
295.09644	4.6
297.11221	27.9
301.10675	37.1
305.08069	10.8
306.08847	3.6
307.09714	12.1
309.11148	34.7
310.08432	3.5
313.10623	7.1
319.09647	5.9
321.11200	15.0
322.08322	6.9
322.11789	3.7
323.12836	7.9
325.10715	97.8
326.11212	4.1
337.10690	68.1
341.10260	3.9
349.10638	4.1
351.12354	5.8
356.12027	3.6
363.12296	7.8
375.12305	3.7
455.14481	5.3
467.14886	6.7
475.17484	6.0
485.15695	3.8
487.17413	12.0
499.17505	10.7
505.18420	9.8
517.18402	20.3
535.25604	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	535.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
69.83248	8.0
73.86175	1.3
74.91974	1.3
79.05489	2.8
81.03429	2.1
81.07047	2.8
84.08150	1.3
85.02895	1.6
86.09724	2.6
88.01184	1.1
90.70533	1.4
91.05479	13.2
93.07018	1.7
94.04201	3.7
95.04971	1.8
95.08593	1.6
103.05481	4.9
105.07043	4.4
107.04960	5.2
107.08626	2.0
109.06520	2.7
111.04379	1.3
115.05489	5.6
119.04949	5.4
119.08632	2.4
120.05707	1.2
121.06496	3.4
122.03622	6.2
128.06198	1.7
129.06979	1.5
131.04942	11.1
135.04436	2.3
135.08015	1.9
137.05978	100.0
143.04990	1.6
144.05730	1.9
146.03630	2.5
147.04408	6.8
147.08025	1.9
149.05948	6.1
151.03909	2.9
151.07567	4.6
155.04939	3.5
157.06508	1.2
159.08067	1.5
160.05208	2.1
161.05989	16.2
163.07570	3.7
165.07010	3.7
167.07098	2.3
171.02911	1.6
171.04379	2.8
172.05188	2.3
173.06038	2.5
175.03914	1.5
175.07579	10.9
177.05457	4.8
177.06880	1.8
178.07849	3.1
179.07033	3.9
179.08459	1.6
183.04337	2.0
184.46712	1.2
185.05963	8.8
187.07556	4.7
189.05421	3.8
189.07043	4.6
191.07054	4.4
191.08621	3.6
193.06494	1.2
194.07265	3.1
195.07979	1.3
199.07518	2.1
201.05463	2.6
202.07809	4.1
203.07007	9.2
203.08690	2.9
205.06512	4.5
206.07144	2.7
207.08113	1.9
210.06749	1.6
211.07578	2.4
213.59714	1.3
215.06903	7.5
217.06519	2.7
218.07335	2.2
219.08080	5.6
220.08885	1.5
221.05963	3.2
221.09665	2.1
222.06830	2.8
223.07550	2.4
227.07027	1.7
230.07323	2.4
231.08090	5.2
233.05928	3.0
234.06693	8.6
235.07527	4.1
237.09099	2.6
238.06194	1.6
239.07048	1.7
243.07993	2.0
244.08757	1.4
245.05994	2.5
245.09827	1.3
246.06851	2.8
247.07532	6.8
248.08308	4.8
249.05484	1.5
249.09119	8.9
250.06371	2.3
251.07077	3.8
253.08592	3.9
258.06799	2.8
259.07593	8.7
260.08273	2.9
261.09091	5.0
262.06332	5.1
262.10031	2.1
263.07004	3.7
263.10587	1.6
264.07819	1.7
265.08627	9.6
267.10376	1.8
271.07532	1.7
272.08292	2.9
273.05435	1.6
273.09033	2.4
274.06525	1.7
274.09650	1.9
275.07062	4.7
275.10516	2.2
276.07867	5.6
277.08560	11.3
278.09290	2.4
279.06717	1.5
279.10153	3.4
281.07953	2.3
283.09598	5.9
285.11380	2.8
286.06287	2.2
287.05237	3.6
287.07208	2.5
288.07895	3.9
289.08633	4.4
290.09399	2.5
291.10135	7.9
293.08130	2.9
294.08871	3.7
295.10068	1.6
297.11133	7.1
301.08643	5.7
302.09314	3.6
303.10205	3.6
304.07202	3.1
305.08041	14.8
306.08942	2.6
307.09738	4.8
309.11237	6.0
315.06583	1.5
315.12311	6.6
318.08777	3.2
319.09631	18.0
321.11227	1.5
322.08459	2.4
325.10995	2.1
331.09711	4.2
333.11340	7.7
337.10709	47.5
339.12253	1.5
345.11295	9.3
348.10010	4.1
351.12372	23.6
363.12323	25.1
375.12244	5.2
377.11963	1.8
381.13864	1.6
393.13162	2.8
425.13989	3.1
427.15662	2.1
437.13843	4.9
454.14270	2.2
455.15021	8.3
457.16391	5.4
459.17752	2.1
467.15030	1.9
469.16351	12.1
475.17422	3.8
481.16376	2.1
482.70407	1.4
487.17416	17.0
488.13715	2.0
499.17563	9.1
505.18967	2.4
517.18750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	6.1
56.96558	1.6
57.07058	1.0
65.03944	2.4
67.05494	2.5
69.03418	1.3
70.00418	1.4
70.00719	5.8
71.04968	1.2
79.05493	4.0
81.07060	2.0
85.02909	3.1
86.09702	2.2
89.03932	1.3
91.05483	11.6
93.07067	1.8
94.04179	3.5
95.04962	3.9
95.08590	2.1
103.05477	5.8
105.03419	1.3
105.07029	5.9
107.04975	5.9
107.08566	1.9
109.06477	2.0
109.10162	1.5
115.05464	5.5
116.06242	1.3
116.98657	1.0
117.03355	1.2
117.07058	1.5
118.04147	1.7
119.04960	5.8
119.08595	2.4
121.06520	3.1
122.03635	8.9
123.04448	1.5
127.03925	1.3
128.06218	2.1
129.07013	2.2
131.04930	12.9
132.05698	2.0
133.06499	3.8
133.10158	1.6
135.04437	2.1
135.08040	2.0
137.05978	100.0
142.62630	1.0
143.05014	1.1
144.05667	1.7
145.06470	3.9
146.03609	2.2
147.04425	8.0
147.08044	2.6
148.05092	1.1
149.05968	5.5
151.03908	16.3
151.05020	1.4
151.07538	5.6
155.04942	5.1
157.06519	1.9
159.04398	2.0
159.08084	2.5
159.11691	1.1
160.05162	1.7
161.05974	17.8
162.06750	1.2
163.07538	2.2
165.05493	2.8
165.07001	3.9
166.07700	1.1
167.07016	3.2
171.04361	2.1
172.05186	3.6
173.06006	2.1
174.06947	1.5
175.07573	11.0
177.05481	4.6
177.06892	1.3
178.07805	3.1
179.07050	3.3
179.08478	1.4
181.06433	1.7
183.04384	1.8
184.05171	1.1
185.05974	9.6
186.06668	1.7
187.07501	8.6
189.05516	4.5
189.07091	2.7
190.07800	3.1
191.07037	5.5
191.08632	3.9
193.10110	1.2
194.07234	4.0
195.06531	3.9
195.08113	2.0
198.06804	1.4
199.07542	4.6
201.05450	2.7
202.07741	5.4
203.06927	5.7
203.08600	4.4
205.06555	5.6
205.10193	1.4
206.07298	3.9
207.08070	3.1
210.06770	1.5
211.07520	1.7
213.07083	1.3
215.06871	7.3
215.08813	1.9
216.07857	4.5
217.06557	1.9
218.07254	5.1
219.08043	8.5
220.08797	2.7
221.06003	2.6
221.09641	3.7
222.06738	3.1
223.07478	2.6
225.09138	1.7
229.06441	1.4
230.07118	1.3
231.08116	8.7
232.08788	2.8
233.05948	2.2
233.09666	3.5
234.06824	6.9
235.07520	4.5
237.05507	1.2
237.09094	4.2
238.06346	1.4
242.07295	2.6
243.08157	2.8
244.05118	1.4
245.06078	2.1
245.09695	1.4
246.06755	3.4
247.07573	8.1
248.08295	5.9
249.09137	11.8
250.06290	2.9
250.09842	2.0
251.07085	4.1
251.10628	1.6
252.07771	1.6
253.08603	3.7
258.06845	2.3
259.07547	7.2
260.08279	3.3
261.05475	2.0
261.09158	7.2
262.06311	3.0
262.09836	1.6
263.07135	4.3
263.10611	3.0
264.07922	3.6
265.08615	10.4
266.09512	2.5
267.06677	1.2
267.10144	1.5
269.05670	1.5
269.08249	2.1
271.07443	2.8
272.08490	1.5
273.05331	1.3
273.09155	1.4
274.06250	1.4
275.07016	4.2
275.10696	1.0
276.07816	4.4
277.08630	13.4
278.09305	3.8
279.06567	2.0
279.10086	2.3
280.07083	1.2
281.08295	1.6
281.11771	2.8
283.09579	5.6
284.10294	1.6
285.11371	6.4
287.05481	3.5
287.07001	3.6
288.07828	3.0
289.05750	1.2
289.08545	6.9
290.05850	1.9
290.09454	3.2
291.10242	8.2
292.07449	1.1
293.08142	1.7
293.11819	1.7
294.08762	1.7
295.09641	2.1
297.11395	6.8
299.06976	1.4
301.08499	3.4
303.06705	1.5
303.10144	3.2
304.07370	3.8
305.08005	13.1
305.11371	1.7
306.08948	2.5
307.09573	7.2
308.10513	1.8
309.07797	1.4
309.11255	23.2
310.12061	3.0
311.12817	2.0
315.12350	5.5
318.09070	2.4
319.09592	16.3
320.10345	1.5
321.11313	10.3
322.08453	1.7
322.12051	2.9
325.10733	3.5
330.09009	1.7
331.09665	4.0
332.10959	1.4
333.11227	8.4
337.10727	39.5
339.12366	1.5
345.11322	9.8
347.18832	1.2
348.09991	3.1
351.12390	17.7
363.12314	24.5
375.12189	3.4
380.10965	1.1
381.13345	1.9
393.13248	2.2
394.11972	1.6
405.11081	1.4
411.11926	1.6
423.12485	1.5
425.13907	2.8
427.15393	2.2
437.14011	3.5
449.13797	1.7
454.14081	1.5
455.15030	8.3
457.16473	6.3
467.14786	1.5
469.16562	9.4
475.17380	2.5
481.16345	2.0
487.17523	12.6
498.66852	1.2
499.17520	6.8
505.18683	2.1
535.15155	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98658	0.5
55.01864	4.0
65.03928	0.6
67.05500	0.7
71.45335	0.6
71.45666	0.7
79.05487	2.0
81.07082	1.1
89.03905	0.6
91.05483	4.4
93.06976	0.6
94.04194	4.5
95.04964	1.4
103.05479	3.1
105.07031	1.8
107.04936	1.9
109.06544	1.6
115.05489	3.1
117.03352	0.7
117.07051	0.5
119.04977	1.3
119.08610	0.7
121.06506	2.0
122.03643	11.6
125.06001	0.7
128.06213	0.6
129.06937	0.6
131.04935	5.8
133.06494	1.6
135.04411	0.9
135.08031	0.9
137.05978	100.0
138.06229	0.5
143.04919	1.8
144.05684	1.3
145.02899	0.8
145.06493	1.3
146.03633	1.2
147.04387	2.0
147.08061	0.9
148.05215	0.8
149.05986	3.0
151.03905	3.2
151.07553	4.5
153.07004	0.8
155.04921	2.5
159.04405	1.0
159.08122	0.9
160.05205	2.1
161.05977	5.5
163.07529	1.8
165.07065	2.0
167.07080	1.1
167.08511	1.0
171.04425	0.9
172.05196	1.9
173.05974	1.2
175.07571	3.7
176.06241	0.8
177.05479	2.5
177.06868	0.7
178.07762	1.9
179.07036	1.3
179.08476	1.1
181.06496	1.6
182.07329	1.0
183.04471	0.7
185.05995	3.3
186.06781	0.7
187.07527	3.0
189.05458	1.3
189.06984	2.1
190.07707	0.9
191.07021	2.6
191.08612	1.6
193.06561	0.9
194.07346	1.5
195.08073	1.7
199.07593	1.2
200.04716	1.1
201.19180	0.6
202.07832	2.3
203.07037	6.3
203.08633	2.2
205.06503	2.8
206.07275	2.9
207.08063	1.3
210.06778	1.5
211.07668	1.2
213.09122	0.7
215.06961	5.2
215.08774	1.0
217.06490	1.7
218.07205	1.7
219.08109	2.6
220.08881	1.4
221.06010	2.4
221.09622	1.3
222.06783	1.6
223.07510	1.5
225.09088	2.7
227.06946	1.4
229.06528	0.8
230.07260	0.6
231.08112	4.4
232.08879	1.5
233.06001	1.7
233.09729	0.8
234.06737	4.2
235.07506	3.7
236.08168	0.7
237.05383	0.8
237.09131	2.4
238.06342	2.3
239.06818	0.6
240.07643	0.8
241.08493	1.0
242.07242	1.3
243.08115	1.5
245.05989	1.1
245.09616	0.8
246.06851	1.0
247.07585	3.9
248.08214	2.9
249.09163	4.4
250.06361	1.4
251.07008	1.6
252.07628	0.9
253.08485	3.9
257.06113	0.7
258.06778	1.7
259.07501	3.2
260.08337	2.0
261.05347	0.7
261.09134	2.4
262.06207	2.7
263.07034	2.6
264.07730	1.6
265.08624	4.4
266.09396	0.8
267.10162	1.3
269.08133	1.5
270.06754	0.8
271.07529	1.5
272.08243	1.0
273.05258	0.7
273.09018	1.4
273.11578	0.8
275.07031	2.0
275.10544	1.3
276.07855	1.9
277.08481	9.4
278.09402	2.1
279.06619	1.4
279.10229	1.6
281.08167	1.9
283.09760	3.2
284.10568	1.3
285.08557	0.8
285.11273	8.1
286.06400	1.5
286.09512	0.8
287.06967	2.0
288.08020	1.1
289.08694	2.1
290.09393	1.4
291.07068	0.8
291.10031	3.4
293.08304	1.7
294.08951	2.0
295.09863	1.2
297.11285	3.8
301.08496	2.9
302.09430	1.5
303.06830	0.9
303.09985	2.8
304.07275	1.8
305.07840	5.0
306.10196	0.8
307.09406	4.0
308.10513	1.7
309.11301	7.0
310.11880	1.7
313.08606	2.1
314.09198	0.8
318.08960	1.5
319.09735	5.4
320.10376	0.7
321.11292	1.5
322.09866	0.7
323.10648	2.2
330.08875	0.7
331.09705	2.6
332.10434	1.4
333.11469	4.4
334.09879	2.4
335.10229	1.6
337.10779	19.1
339.12680	0.8
343.09329	0.9
345.11279	2.0
349.12137	1.0
350.09399	1.4
351.12592	12.1
352.11057	1.7
361.08606	1.1
362.09338	1.7
363.12524	8.4
364.11163	0.7
365.11926	0.9
366.12616	1.2
367.09317	0.8
367.13361	1.4
368.10349	0.7
369.11185	1.3
377.11813	2.4
378.12961	0.8
379.09695	2.1
380.10544	1.5
381.12958	0.7
383.12918	1.4
392.10342	0.8
393.11261	2.2
394.11884	1.8
395.12845	3.1
397.10538	0.8
405.11267	3.0
406.11981	1.0
407.13187	0.9
408.09698	0.8
409.14539	1.1
410.11279	0.8
411.12326	2.5
412.12808	1.4
422.11536	1.6
423.06601	0.8
423.12323	2.5
425.13861	2.4
427.15445	9.1
431.14481	0.7
437.13882	7.6
438.14441	0.6
454.14182	1.6
455.14951	22.3
456.15271	1.1
457.16470	5.3
459.17938	1.0
467.14859	2.1
469.16525	16.1
471.17984	0.6
472.15079	0.8
475.17374	3.3
481.16397	3.6
487.17535	21.7
488.17783	0.9
499.17648	5.5
505.18497	1.1
518.19244	0.7
535.19293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.108
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.22227	0.1
53.40509	0.1
57.03395	0.1
63.06897	0.1
67.01861	0.4
67.05482	0.1
68.99780	0.3
69.03390	0.3
70.06566	0.1
70.79435	0.2
79.05444	0.2
81.03378	0.2
81.07014	0.2
85.02914	0.5
86.09696	0.2
87.00834	0.1
89.03888	0.2
91.05444	0.2
93.07011	0.1
95.04956	0.1
97.02855	0.3
99.04452	0.1
105.01875	0.1
105.06974	0.2
107.04930	0.1
109.02830	0.3
117.03378	0.2
119.08517	0.1
121.10171	0.1
122.51637	0.1
123.04422	0.1
127.03912	0.6
128.06210	0.1
129.01799	0.2
131.08536	0.1
133.10100	0.1
135.04402	1.8
137.02362	0.4
137.05937	0.3
137.09676	0.1
145.04947	0.2
147.04422	0.2
151.03918	0.2
153.01830	4.8
159.98878	0.1
161.02286	0.4
161.05869	0.1
162.06705	0.2
171.02925	0.8
175.07561	0.1
179.03320	0.3
187.07477	0.1
203.03264	0.1
203.07115	0.1
205.61980	0.1
213.05472	0.2
219.06535	0.1
241.04939	0.6
245.04463	0.1
259.06128	0.1
269.04428	0.5
270.05554	0.1
286.04480	0.1
287.05490	100.0
288.05811	0.8
325.09778	0.1
363.12527	0.1
449.10861	0.2
491.11963	0.1
535.10846	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	535.1084
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.79642	0.1
55.05481	0.1
55.25568	0.1
57.87112	0.1
63.38869	0.1
63.82978	0.1
67.01858	0.4
68.99794	0.3
69.03408	0.2
69.68507	0.6
70.06581	0.2
79.05464	0.2
81.03407	0.3
85.02897	0.4
85.06494	0.1
86.09683	0.2
89.03932	0.2
91.05494	0.1
93.07021	0.2
95.08607	0.1
95.25300	0.1
97.02888	0.1
105.07016	0.1
109.02887	0.2
109.10176	0.1
111.00755	0.1
119.08627	0.1
120.47623	0.1
127.03891	0.2
129.01790	0.1
133.10118	0.1
135.04417	1.5
137.02324	0.5
145.10139	0.1
153.01833	4.3
161.02316	0.6
171.02899	0.8
179.03409	0.4
185.06009	0.1
203.03354	0.1
213.05402	0.2
219.06537	0.2
241.04939	0.5
245.04425	0.2
259.05939	0.1
269.04410	0.3
287.05487	100.0
288.05896	0.6
302.82376	0.1
373.13675	0.2
449.10892	1.3
491.12070	0.1
517.10089	0.1
517.99811	0.1
535.10773	2.4
535.18915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46968	2.8
55.05514	20.2
57.03436	4.2
57.07064	10.5
61.02928	4.3
65.03928	2.7
67.05504	86.7
69.07075	25.0
71.04981	2.7
71.08625	5.4
71.59884	4.1
73.02924	3.5
79.05492	27.8
81.07060	100.0
83.08615	16.2
85.02923	6.6
85.10166	4.2
91.05487	18.8
93.07040	21.1
95.04318	3.5
95.04961	4.1
95.08603	85.6
95.63416	2.9
97.02875	3.7
97.06530	5.3
97.10175	11.7
99.08183	2.9
105.07029	9.9
107.08588	17.0
109.10152	42.8
111.08097	5.1
111.11749	3.0
119.08571	9.5
121.10143	26.7
123.11703	20.7
133.10106	17.2
135.11676	12.8
137.09558	4.6
137.13237	9.3
141.12756	8.5
141.24397	2.9
146.55119	2.7
147.11664	10.8
149.13243	8.3
151.11168	5.3
151.14861	5.8
161.13272	16.7
163.14799	11.0
165.16348	7.7
175.14806	10.8
177.16432	2.9
179.17952	11.8
189.16333	5.4
227.20117	6.4
245.22684	57.0
263.23694	79.9
287.05362	5.1
313.61801	3.0
337.27390	44.6
419.31662	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	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.05508	20.8
57.03432	8.0
57.07075	13.9
61.02924	8.4
67.05504	86.3
67.46564	2.2
67.57838	1.8
69.07069	27.8
71.05009	2.7
71.08623	7.8
71.60060	2.4
71.60448	2.8
73.02926	2.8
79.05496	21.2
81.07057	100.0
83.08614	19.8
85.02921	3.7
85.06519	3.4
85.10175	3.0
86.09711	7.3
89.31323	2.3
91.05481	20.5
93.07035	29.1
95.04975	2.2
95.08602	91.8
97.06541	10.4
97.10179	15.2
97.15792	1.9
99.08087	5.4
104.10736	15.9
105.07034	15.5
107.08584	20.0
109.10152	47.0
111.11765	4.9
119.08578	15.5
121.10134	24.1
123.11728	21.5
125.09694	2.2
127.11248	2.4
133.10121	14.9
135.11702	12.3
137.09599	3.0
137.13187	10.1
141.12788	4.6
147.11649	15.9
149.13245	9.3
151.14827	8.0
155.14345	3.3
161.13245	15.3
163.14816	12.1
165.16393	12.0
175.14839	11.1
177.16463	3.4
179.17998	10.2
181.15956	2.7
184.07364	10.5
185.18768	2.0
189.16396	5.1
245.22658	65.5
263.23706	91.1
281.24734	2.4
287.05386	4.6
337.27359	59.8
355.28589	5.7
505.27493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
58.99583	0.6
59.00279	0.6
59.05000	100.0
62.06080	4.5
67.05505	1.3
69.03419	1.4
70.06589	2.3
71.04683	0.9
71.05022	1.6
73.02916	1.2
73.06561	3.2
74.00645	0.9
76.02225	2.4
79.05490	1.2
81.03419	1.6
81.07072	2.0
83.04961	0.5
84.04500	1.6
85.02902	2.7
85.04016	1.1
86.09707	0.7
87.04452	8.4
89.06028	80.2
91.05473	0.7
93.07053	0.7
95.04974	1.1
95.08629	0.6
97.02891	1.5
97.06505	0.7
99.04478	1.1
103.07577	88.9
105.07039	1.0
107.04961	1.1
107.07052	4.7
107.08624	1.0
109.02873	1.0
111.57464	0.6
117.09111	2.8
119.08567	1.4
120.08144	0.8
121.06459	0.7
121.08624	0.7
121.10131	0.8
123.04404	0.6
125.05963	0.7
125.13135	0.6
127.03857	1.4
130.05008	1.4
130.08609	1.3
131.04553	1.0
131.07054	3.0
131.08592	0.7
133.08595	52.5
133.83894	0.7
137.05974	1.0
142.03246	0.8
145.10101	2.0
145.19609	0.6
147.10153	37.0
149.09656	0.8
151.03940	0.6
153.01816	1.6
161.11684	1.3
162.02229	1.7
163.11137	0.7
165.12672	1.2
173.09550	1.0
175.09642	1.7
176.58963	0.6
177.03282	5.3
177.11218	21.3
179.04805	1.9
187.11203	1.1
191.10924	0.6
191.12749	3.2
201.12561	0.7
205.12106	0.7
209.15331	0.8
210.15685	0.7
212.84624	0.7
215.10693	0.8
221.13710	2.4
227.12820	0.7
231.04366	0.7
233.11702	0.8
239.14766	1.6
251.12810	1.3
265.16336	0.9
266.11993	0.7
283.17444	1.2
284.13123	0.8
287.05481	23.3
297.18900	0.9
312.12543	1.1
313.11716	1.1
353.21445	0.8
373.13617	2.5
405.16730	1.8
517.32098	6.1
534.20410	1.7
534.34406	2.1
535.21509	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34807	0.6
55.05486	0.7
56.05040	1.1
58.06589	0.9
58.72299	0.6
58.73682	0.7
60.07870	1.2
60.08159	16.3
60.69708	0.6
62.76178	0.7
67.05510	1.5
69.94502	3.5
70.06573	0.7
71.07373	5.3
71.08654	1.0
79.05496	1.0
81.07065	1.4
86.09702	53.4
89.77276	0.7
95.04955	0.7
95.08626	1.3
98.98459	5.3
104.10741	87.6
104.66138	0.6
121.10194	0.7
125.00005	27.7
129.11136	0.6
133.10062	0.7
143.01057	0.9
184.07335	100.0
200.17966	0.6
227.35045	0.7
258.11139	1.0
287.05515	2.5
349.95230	0.6
516.30853	6.0
534.31866	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
55.19740	0.2
56.05019	0.6
58.06615	0.5
60.07872	0.4
60.08163	6.8
60.77272	0.2
65.68479	0.2
67.05502	0.5
69.92175	1.2
70.06606	0.3
71.07366	3.0
79.05480	0.4
81.07059	0.5
86.09705	33.2
92.39269	0.3
93.07021	0.3
95.08617	0.4
98.98460	3.1
104.10748	10.3
105.07059	0.3
122.53514	0.2
125.00002	20.6
126.07054	0.2
132.34602	0.3
143.01039	0.4
161.13242	0.2
184.07339	100.0
193.51871	0.2
258.10840	0.3
287.05399	0.7
405.39462	0.2
516.30804	1.6
534.12097	0.4
534.31982	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	534.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05504	4.5
57.98800	1.0
58.82342	0.6
58.99582	16.8
61.98200	0.7
65.03948	0.8
67.05499	17.5
69.03416	1.2
69.07065	3.6
69.51865	2.6
69.52292	2.9
70.08620	0.6
71.04993	3.3
72.08151	0.8
74.01331	0.6
76.02222	91.6
76.03988	3.1
79.05490	11.7
80.05047	1.4
81.07050	38.5
82.07367	0.7
83.04971	2.0
83.06091	0.7
83.08607	3.4
84.04498	14.1
85.02927	1.0
85.06542	2.1
86.09715	0.7
86.99043	4.3
88.02222	1.9
91.05476	6.8
93.07032	12.2
94.20509	0.7
95.04951	1.6
95.08600	38.8
97.06524	2.5
97.10178	0.7
105.07039	5.8
107.08588	10.2
108.10808	0.6
109.06499	1.6
109.10167	3.7
111.08077	1.3
114.03756	0.9
116.01669	24.8
117.07020	1.9
119.08587	5.5
121.10114	4.0
123.08031	1.5
129.06607	0.8
130.04990	10.0
131.08571	10.2
133.10159	4.1
133.11040	0.8
135.08002	1.4
135.11658	2.4
137.13312	1.4
142.03188	8.3
144.01134	13.4
145.10089	3.3
147.11693	4.4
149.09558	1.0
149.13242	5.3
161.13248	6.9
162.02193	49.2
163.11194	0.8
163.14816	1.0
170.02676	3.8
173.13246	11.2
179.04842	100.0
179.14294	3.6
187.05379	2.6
191.14287	4.3
197.15388	1.0
209.15349	10.3
215.04848	2.6
216.03188	0.8
227.16391	0.8
233.05899	19.2
245.05846	3.4
285.14938	1.0
289.04745	0.8
290.07977	2.0
291.06375	2.4
302.17783	5.0
308.09085	59.1
405.20367	6.8
459.21426	2.8
534.24896	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	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03947	3.0
54.25667	0.6
55.01870	3.4
55.05505	2.3
57.03434	7.4
61.02925	10.7
67.05495	1.8
69.03426	30.1
69.07059	8.6
69.53630	4.7
71.04985	4.3
73.02908	4.5
79.05504	3.1
79.05893	0.6
81.03415	13.2
81.07037	3.7
83.01334	1.7
83.04989	1.4
83.08623	1.8
85.02900	100.0
87.04457	4.3
91.03939	5.6
91.05479	3.1
93.07018	4.2
95.04961	7.1
95.08601	5.1
97.02886	35.8
97.06531	4.3
99.04446	5.8
101.02380	0.6
105.07036	4.3
107.04949	1.4
107.08591	5.1
109.02879	10.5
109.06520	5.0
109.10159	2.1
113.06018	0.7
115.03925	1.8
119.08582	4.6
121.06502	3.7
121.10117	2.9
122.07303	5.2
123.08059	18.9
123.11713	1.0
127.02964	1.4
127.03905	28.5
127.07566	0.9
131.08565	1.1
133.10126	6.1
135.08043	28.0
135.11665	4.7
136.47435	0.7
137.06017	0.7
137.09608	1.4
145.04950	38.9
145.10130	1.1
147.11670	2.7
148.08900	0.8
149.09622	2.1
149.13254	1.8
161.09538	0.7
163.06026	5.7
163.14835	0.9
165.12746	20.3
170.20227	0.6
171.06490	2.1
173.13257	2.2
175.11211	0.7
175.14809	4.2
176.11969	4.4
179.64180	0.6
189.07594	2.3
191.14294	91.4
193.15851	13.8
202.25589	0.6
205.12057	0.7
207.13753	3.6
209.15353	14.7
227.08110	0.6
246.94946	0.6
251.07448	0.7
272.13199	0.6
309.17072	1.1
353.19516	4.2
371.20621	8.6
401.11371	1.7
489.14929	1.3
533.13928	2.0
533.25867	23.2
534.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.10151	0.9
55.01862	1.9
55.05507	1.3
56.96575	1.6
58.42932	1.0
62.53898	0.9
65.34282	0.9
67.05511	1.5
69.03422	2.5
70.06592	9.7
71.34921	2.1
72.08139	2.7
77.03930	1.1
79.05505	2.4
81.03416	2.1
81.07038	1.1
83.04980	2.0
84.04484	1.5
84.08126	2.0
85.02892	4.2
86.09703	7.0
89.03915	5.3
91.05473	1.5
95.04932	2.4
103.05469	1.3
105.03375	4.5
105.07008	1.3
107.04968	6.9
109.02896	2.0
110.07202	1.0
111.04474	1.9
117.03370	4.3
120.08060	1.1
121.02863	5.7
122.03581	1.1
123.04428	17.7
127.03854	1.5
130.05052	1.2
131.04900	3.7
132.50571	1.0
133.02841	30.3
134.03621	4.8
134.99640	1.1
135.04408	16.4
136.04243	1.5
136.05199	18.6
136.06163	0.6
137.02322	4.0
137.05983	2.0
145.02847	5.3
147.04433	6.0
149.02341	6.2
150.03101	3.6
151.03893	11.8
152.04739	1.3
158.63707	1.0
159.04413	6.7
159.09277	1.0
161.02316	21.2
161.05940	1.1
162.03122	24.0
163.03899	77.0
165.07030	5.8
167.07051	4.7
173.02335	3.8
173.12883	1.7
176.06139	1.1
177.01845	2.7
177.06967	1.3
181.04959	2.2
181.06445	1.5
187.03914	17.7
193.06512	5.4
195.08105	1.2
197.06033	1.5
205.06531	4.6
211.07533	2.0
221.05983	12.0
223.07616	4.7
225.05481	5.6
231.02917	1.0
233.06020	3.2
239.07054	3.5
249.05470	12.0
250.06171	2.0
251.07039	6.6
253.04977	5.7
257.04504	1.1
266.05585	1.0
267.06433	5.9
269.07990	3.7
277.04916	5.4
278.05490	1.1
279.06451	5.4
294.05130	1.4
295.05966	30.8
297.04272	1.9
297.07568	28.0
313.07266	4.7
323.05487	100.0
324.05731	4.1
341.06540	70.7
342.07010	2.3
381.41241	1.0
490.52774	1.1
491.55551	1.2
533.22260	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	532.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88190	0.3
56.05034	0.5
58.06612	0.5
60.07871	0.4
60.08163	6.2
62.17563	0.3
70.91267	0.3
71.07367	2.6
71.59270	0.5
71.59628	0.3
74.20837	0.2
79.05489	0.6
81.07050	0.5
85.30096	0.3
86.09707	30.8
91.05466	1.1
93.77789	0.3
95.08609	0.4
98.98476	3.1
104.10754	3.7
105.07029	0.5
107.05013	0.3
108.25326	0.3
119.04947	1.3
125.00008	22.3
139.63759	0.3
143.01067	0.5
147.04402	3.3
184.07346	100.0
185.07759	0.8
390.74237	0.3
514.29346	0.7
532.30176	3.3
532.37970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71014	1.1
55.05508	1.5
57.03440	1.8
60.04514	2.0
69.03414	2.1
70.06600	10.4
71.59650	1.7
72.08151	5.2
79.05492	1.6
83.04966	1.7
84.04498	3.5
84.08134	4.6
85.02907	3.1
85.07637	1.3
86.09711	10.1
89.03926	4.2
91.05465	2.2
95.04960	3.1
97.02895	2.2
98.97591	1.7
99.60303	1.1
102.05554	1.7
105.03382	5.3
106.09310	1.2
107.04939	7.4
110.07182	1.9
111.04456	1.7
116.98629	1.5
117.03378	4.8
119.04949	1.2
120.08113	2.2
121.02870	4.7
123.04436	18.5
129.10297	1.8
131.04944	4.5
133.02856	34.1
134.03635	4.4
135.04433	18.1
136.05205	19.6
137.02327	6.3
145.02850	6.3
146.03561	1.5
147.04419	5.4
149.02339	5.2
150.03146	5.0
151.03909	12.7
159.04387	6.8
161.02351	22.7
162.03136	28.3
163.03915	80.2
165.06995	7.3
173.02380	4.9
175.11816	1.5
176.30070	1.1
177.01871	3.1
177.06976	2.0
179.03311	1.6
181.05057	1.9
187.02435	1.9
187.03912	18.1
193.06505	4.1
197.06010	2.3
205.06549	3.2
211.07558	2.9
221.05936	13.2
223.07561	4.9
225.05478	6.5
231.26534	1.2
233.05923	3.9
239.07137	3.7
249.05481	12.8
250.06085	1.9
251.07014	5.3
253.04944	4.6
255.06541	2.6
266.05588	1.8
267.06561	4.7
269.07776	1.4
277.05017	4.5
279.06577	6.8
295.05997	30.8
297.07547	27.3
299.05600	1.4
305.04388	2.1
323.05508	100.0
324.05945	1.7
341.06558	84.2
515.28162	1.4
533.15820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05509	0.5
56.05029	1.2
58.06598	1.0
60.08162	16.3
67.05499	1.2
69.03415	0.3
69.07063	0.6
70.33215	1.1
71.07372	6.5
72.08144	0.5
73.02913	0.6
79.05487	1.1
81.03433	0.3
81.07060	1.5
82.50386	0.3
83.04945	0.5
85.02889	0.5
86.09702	47.4
91.05480	1.0
93.07031	1.5
95.04944	0.3
95.08622	0.8
98.20902	0.3
98.98460	3.3
104.10739	100.0
105.07026	1.6
105.11054	0.3
107.08604	0.8
109.06489	0.3
109.10096	0.6
119.08588	0.9
121.06484	0.4
124.99998	23.5
131.08565	0.5
133.10155	0.7
143.01019	0.7
144.45726	0.2
145.10136	0.6
147.11707	0.5
159.11674	0.6
163.01486	0.3
163.11212	0.3
184.07332	79.7
203.17886	0.4
214.17049	0.2
230.19647	0.3
249.71725	0.2
252.20871	0.3
258.10971	0.6
275.20117	1.0
349.23743	0.5
509.48083	0.3
514.29340	4.1
532.30310	28.2
533.30865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	1.2
53.03950	3.1
55.01871	3.1
61.02911	1.7
65.03979	1.3
67.05495	5.3
69.03072	2.0
69.03431	32.8
69.07052	2.0
70.06590	2.0
70.89471	3.6
71.04978	1.8
73.02913	1.8
79.05489	4.9
81.03438	8.0
81.07047	7.2
83.04991	1.8
84.08105	1.4
85.02899	13.5
87.00826	5.7
87.04473	3.4
91.05471	9.7
93.07040	6.5
93.35046	1.1
95.04967	10.7
95.08632	3.0
97.02902	6.3
97.06550	1.4
99.04459	2.4
105.01863	4.1
105.07017	10.2
107.04953	3.0
107.08593	4.9
109.02886	6.1
109.06525	35.9
109.10150	2.9
111.04443	5.9
117.07011	3.5
119.08576	22.1
121.06483	3.5
121.10115	6.5
123.08070	4.8
123.11668	1.7
127.03935	9.5
127.46083	1.6
128.06232	1.7
129.06989	5.7
130.07771	1.6
131.08546	3.6
132.02199	1.4
133.06500	4.6
133.10150	10.7
135.08023	2.8
137.05966	3.6
137.09554	1.9
139.11218	2.3
141.06976	1.9
142.07799	3.3
143.08583	9.1
144.09219	2.1
145.04924	2.3
145.10129	14.7
147.08057	15.4
147.11708	1.8
149.06020	2.6
149.09633	2.3
151.07584	1.5
151.11224	1.6
155.08575	4.1
156.09369	3.0
157.06512	2.0
157.10159	9.7
159.02864	2.3
159.11678	8.2
161.09607	3.0
161.13246	2.7
163.07590	1.6
163.11113	2.0
165.06984	7.6
165.09158	3.7
169.10132	2.5
170.10925	10.8
171.08051	4.8
171.11674	7.3
172.08806	3.2
173.09615	10.2
175.07550	47.3
180.09343	10.7
183.08060	3.1
185.09624	3.6
185.13266	17.0
187.11209	6.9
187.14815	1.6
189.12852	6.7
191.10669	10.9
193.08611	14.7
195.11697	25.0
198.10397	10.3
203.14320	4.4
205.12257	4.5
209.11609	1.3
213.12744	100.0
231.13806	93.2
249.14868	25.2
267.15839	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	532.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01875	2.7
55.05484	0.2
57.03438	4.3
59.04986	0.3
61.02936	0.7
67.05511	0.5
69.03430	14.0
70.06594	0.3
70.43157	0.3
70.43510	0.8
71.01360	1.8
71.04973	0.2
73.02913	3.5
81.03434	1.7
83.04984	0.7
85.02905	6.2
86.06065	0.4
86.09721	0.3
87.04478	0.7
95.04969	0.8
97.02895	15.0
99.04464	1.9
100.11259	0.3
103.03946	0.7
109.02920	1.4
111.04424	0.6
113.02338	0.5
115.03925	4.8
119.03555	0.6
123.04433	0.5
127.03908	1.8
132.20522	0.2
133.04965	6.0
135.04439	0.4
136.06186	100.0
137.04576	0.6
139.03906	0.6
143.03413	0.8
145.04974	1.8
151.03847	0.4
157.04958	2.4
169.04984	1.5
178.07280	0.3
181.04951	0.3
186.17537	0.2
187.06021	3.0
199.05923	0.3
211.06065	1.5
229.07083	0.7
247.08127	1.2
265.09265	0.3
268.10416	31.8
318.84445	0.2
392.81323	0.3
400.14642	13.4
423.57303	0.3
439.73184	0.2
445.00949	0.3
523.60754	0.3
532.18866	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.86750	0.3
56.96563	0.6
67.05502	0.7
69.03415	0.8
69.07064	1.0
71.19099	0.8
72.08174	0.4
73.02914	1.4
79.05503	1.0
81.03409	0.5
81.07069	1.0
82.04231	0.4
85.02874	0.8
91.05492	0.7
93.07018	0.5
95.04957	0.6
95.08598	0.5
97.02863	0.5
97.06526	1.8
103.05518	0.4
105.07028	0.7
107.08566	0.5
109.02903	0.7
109.10157	0.5
116.98630	0.4
119.08524	0.7
123.04427	0.5
123.08175	0.4
127.03909	0.5
133.02913	0.5
133.10149	0.6
135.07983	0.4
137.30457	0.4
147.04404	0.5
148.07559	0.4
151.03940	0.8
153.01826	7.2
153.02982	0.6
161.02319	0.5
171.07916	0.4
180.17813	0.4
181.70468	0.4
205.04939	0.5
217.04970	0.5
223.02527	0.3
223.98203	0.3
224.27856	0.4
245.04520	0.8
247.09694	1.9
273.03922	7.2
274.04529	0.9
302.04245	2.8
303.04932	2.0
378.52975	0.4
399.10754	46.8
400.11163	5.9
513.34387	0.9
531.35034	100.0
532.35321	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05507	0.9
57.03437	1.2
57.69510	0.2
61.02930	1.4
67.05504	0.5
68.99786	0.5
69.03412	0.9
69.07060	0.4
70.21184	0.4
70.21597	0.7
70.72151	0.2
73.02919	8.8
79.05483	0.5
81.07038	0.5
85.02907	1.4
85.06534	0.4
91.05502	0.3
93.07050	0.5
95.04964	0.4
95.08605	0.7
97.02882	0.7
97.06542	0.3
98.21457	0.3
105.07043	0.4
107.04978	0.6
107.08624	0.4
109.10172	0.4
112.15055	0.3
115.03945	0.8
117.07017	0.2
119.01299	0.4
119.08675	0.2
127.03899	0.4
131.08524	0.4
139.03900	1.5
145.04974	0.3
145.06487	0.3
145.10188	0.3
147.04404	0.6
147.08061	0.4
149.13326	0.3
150.03146	0.3
151.03949	0.2
153.01831	26.2
159.04448	0.4
159.08075	0.5
161.05917	0.2
163.03906	0.6
167.07004	1.1
171.02910	0.4
173.06023	0.3
173.09631	0.4
175.03851	0.5
175.07616	0.8
176.04514	0.3
177.05457	0.6
179.03333	0.3
179.07027	0.3
185.05965	0.5
188.04718	0.3
189.01872	1.0
191.03419	0.3
192.04163	0.4
199.07513	0.3
201.01860	0.4
201.05469	0.8
201.09149	0.5
203.03444	0.4
203.07019	2.1
205.04991	0.8
216.07860	0.6
217.08659	0.3
227.07100	0.3
229.05008	0.9
229.08536	0.6
231.02878	0.3
231.06509	0.3
232.03604	0.5
243.06331	0.4
244.07283	0.3
245.04353	0.4
245.08194	0.5
247.09688	0.4
253.05037	0.3
255.02921	0.5
255.06577	0.5
259.02325	1.1
267.02853	0.7
269.04422	0.9
271.05984	0.5
273.03888	0.7
274.04706	0.8
281.04446	1.0
285.03958	0.5
297.03992	1.9
297.07159	0.4
298.04672	1.0
299.05423	0.5
301.03619	0.3
302.04208	7.8
303.05066	0.5
309.03973	1.0
310.04846	0.6
311.05539	2.1
313.03406	2.4
313.07117	0.7
314.04184	0.7
315.04977	1.3
325.03375	1.6
326.04221	4.6
327.04968	9.8
329.02942	0.7
337.07233	0.3
339.05029	3.1
342.03491	0.4
343.04401	1.5
355.08157	2.9
363.08612	0.3
369.09702	0.7
371.11200	2.1
381.09796	2.0
399.10745	100.0
400.11035	2.0
409.08936	0.4
531.24115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42431	3.4
53.59257	3.6
55.01866	4.3
55.05499	13.0
57.03424	6.1
67.05508	17.7
69.03426	12.4
69.07065	8.6
70.38684	9.0
70.39062	7.1
71.04973	8.0
73.02905	4.2
79.05488	13.3
80.48750	4.7
81.03419	15.8
81.07045	18.2
83.04986	7.1
83.08613	7.9
85.02877	10.4
85.06560	3.9
91.05484	10.3
93.07027	14.7
95.04964	7.9
95.08607	29.2
97.02895	9.1
97.06544	12.7
99.04455	5.9
99.08083	3.9
100.11232	10.4
105.07009	10.7
107.08558	4.5
109.02875	7.2
109.06538	6.5
109.10144	5.1
111.04399	6.0
111.08013	3.5
119.08585	16.3
121.06496	7.2
123.08080	4.2
127.03915	13.2
131.08574	5.7
133.02774	3.4
133.10083	7.2
135.11644	4.0
137.02295	6.3
151.07536	5.1
153.01801	13.1
155.10979	4.0
161.13254	13.1
173.11807	6.1
179.14305	12.1
182.15398	4.1
197.15486	4.0
199.22586	4.7
240.29636	3.6
253.36490	4.5
263.16623	4.9
273.03922	19.3
287.16370	6.0
303.04977	4.5
305.17413	11.6
323.18503	43.7
328.78842	3.5
341.19659	12.7
372.66583	4.1
399.10706	100.0
530.33264	10.3
531.14484	4.7
533.22760	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78507	8.6
55.05505	21.9
67.05507	100.0
69.07059	21.1
69.39214	85.8
71.89089	9.3
79.05492	76.0
81.07054	86.8
82.85902	8.3
83.08640	10.7
85.02905	10.2
91.03934	10.7
91.05482	81.2
93.07044	69.7
93.44094	8.5
95.04961	13.0
95.08598	65.9
99.08041	15.9
105.07023	98.6
107.08603	50.4
109.10162	33.5
117.07023	27.9
119.08566	89.4
121.10127	48.3
129.07031	26.3
131.08582	42.1
133.10110	63.0
135.11711	40.4
143.08546	17.1
145.10129	38.3
147.11688	44.9
149.09654	11.4
149.13255	25.1
157.10168	30.8
159.11728	30.0
161.13242	88.9
163.11250	11.6
163.14713	10.4
171.11694	42.4
173.13254	20.9
175.11234	11.1
175.14882	61.8
185.13257	22.0
187.14708	12.2
195.00304	41.6
196.00786	11.1
198.68246	9.5
199.14832	17.4
231.21027	21.3
234.89948	9.9
239.88869	13.4
241.19473	72.3
259.20554	94.1
261.92697	9.4
277.21439	13.7
351.25262	29.4
530.25488	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.5
55.05505	18.0
57.03432	4.7
57.07076	4.6
65.75844	2.4
67.05505	46.3
69.07068	16.8
71.05016	3.9
71.60263	3.6
79.05489	32.0
81.03436	5.8
81.07061	49.6
83.08603	12.7
85.06522	2.9
87.04455	5.9
91.05482	25.3
93.07042	38.2
95.04980	6.2
95.08615	31.0
97.13518	2.6
105.07018	17.7
107.08588	19.0
109.06532	3.6
109.10204	13.0
109.18000	2.5
111.08073	3.4
117.07008	10.4
119.08566	14.2
121.10134	16.0
129.06996	7.4
131.08560	17.6
133.10129	14.1
135.11720	9.6
143.08578	8.2
145.10149	16.1
147.11708	5.8
149.13272	11.8
157.10164	5.1
159.11745	9.3
161.13261	4.0
169.10042	4.0
171.11716	6.6
173.13268	7.9
175.86221	2.4
183.11769	3.5
185.13303	7.1
187.14867	3.7
199.14877	4.0
419.33405	3.1
431.61072	3.0
437.34268	11.1
455.35153	3.9
511.37790	4.6
529.38837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05508	12.9
57.03433	2.1
57.07076	2.3
67.05502	47.3
69.07069	16.2
69.27269	5.9
69.27697	11.7
71.04978	4.3
71.93763	1.3
79.05491	32.7
79.59455	1.6
81.06576	2.7
81.07053	51.5
83.05000	2.5
83.08620	10.1
85.06545	1.8
91.05484	21.3
93.07037	41.0
95.04967	6.7
95.08610	27.9
97.06541	4.7
105.07023	20.4
107.08581	21.2
109.06505	2.1
109.10164	10.5
111.08099	2.4
117.07006	10.2
119.08587	14.4
121.10121	14.8
123.11740	4.2
129.07010	5.3
131.08571	15.0
133.10127	12.5
135.11694	8.9
143.08572	6.0
145.10112	9.2
147.11694	5.7
149.13264	15.5
155.08516	2.2
157.10107	3.9
159.11697	12.0
161.13223	3.0
169.10107	2.5
171.11685	4.1
173.13278	4.7
175.14862	3.9
177.12837	3.5
185.13203	2.8
187.14871	3.5
195.13815	7.2
197.13333	2.0
199.14845	2.8
209.13419	1.6
213.16681	1.6
216.39232	1.5
257.19107	1.8
261.22290	2.8
284.26282	1.9
437.34326	7.9
455.35498	4.4
493.36237	1.8
511.37933	4.3
529.38879	100.0
530.39276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.20487	1.5
54.59509	1.4
55.01867	2.0
55.05513	17.0
56.96554	1.7
57.03437	4.4
57.07061	2.7
65.03935	2.8
67.05505	55.1
69.07068	15.0
71.04980	2.7
75.97552	1.6
79.05491	39.0
81.03441	3.7
81.07056	59.6
83.04984	3.1
83.08618	11.1
85.02915	2.4
85.06512	2.1
91.03954	2.8
91.05484	31.3
93.07043	42.0
95.04970	6.5
95.08600	33.1
96.41568	1.6
97.06541	4.0
97.10175	4.1
98.20718	4.3
99.05703	1.7
101.82558	1.4
105.07026	22.0
106.84869	1.4
107.08582	21.5
109.06543	1.9
109.10146	13.3
111.08102	3.7
115.05399	1.8
117.07015	11.6
119.08559	18.0
121.06473	1.8
121.10147	19.8
123.11730	4.4
129.07016	5.8
131.08574	22.3
133.10132	14.8
135.08009	2.2
135.11729	9.0
143.08545	8.0
145.10100	16.5
147.11688	6.7
149.09647	3.5
149.13210	9.6
155.08490	3.3
157.10150	6.8
159.11694	12.5
161.13272	3.8
169.10107	3.8
171.11693	7.4
173.13243	8.2
175.14835	1.9
177.12737	2.4
183.11711	2.9
185.13274	6.5
187.14847	4.1
195.13881	3.0
197.13364	3.3
198.97481	5.7
199.14771	3.9
267.39429	1.8
285.10135	2.6
313.25601	1.7
335.19019	1.6
419.33136	4.8
429.12698	2.2
437.34366	9.9
454.21188	3.3
455.36005	3.9
511.37915	6.2
529.25372	6.5
529.38904	100.0
530.39276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.0
57.03427	6.9
58.10506	6.6
67.05497	21.6
69.07057	16.4
69.88483	18.8
69.88896	16.5
70.35748	5.2
79.05490	20.5
81.07077	27.3
91.05463	21.4
93.07061	27.3
95.04952	9.5
95.08586	14.4
101.60971	5.3
105.07020	24.0
107.04869	6.3
107.08587	15.8
109.06516	5.5
109.10163	6.6
119.08613	7.6
121.06474	8.3
121.10161	6.0
122.46273	7.4
131.08575	13.8
133.10168	12.4
135.08081	8.3
135.11688	6.3
145.10068	9.1
147.11662	11.5
159.11647	8.4
170.29404	5.7
175.11212	5.6
237.04095	5.8
257.19009	13.3
266.64789	6.2
275.20038	82.7
284.12872	11.6
293.21225	13.4
349.23706	100.0
367.24750	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	529.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18839	2.4
68.55347	2.3
70.06585	3.3
71.59023	5.0
82.24738	2.7
115.11353	2.6
118.06547	17.7
132.08102	6.8
132.25560	3.0
143.07350	3.6
144.08041	14.4
146.06013	63.5
154.12408	2.7
159.09160	4.8
165.85764	2.8
170.05986	4.4
188.07063	100.0
189.07468	3.0
205.09732	40.5
252.37624	2.7
310.37503	3.1
466.63089	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1495
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
50.22227	0.7
55.05502	2.1
59.56345	0.8
62.59013	0.8
67.05494	4.6
67.74355	0.8
69.85384	2.5
69.85804	2.0
70.15853	0.6
79.05495	2.3
81.03400	1.7
81.07055	3.6
83.08615	1.9
91.05489	2.1
93.07024	4.3
95.08617	2.5
105.07022	1.5
107.08594	2.1
108.68788	0.7
109.10182	1.7
119.08573	1.5
121.10149	1.9
131.08563	1.9
135.11638	1.1
147.11652	0.9
149.13269	0.9
173.13304	0.9
181.54253	0.7
193.12334	0.9
310.84985	0.8
315.10297	1.9
343.05927	1.0
343.09683	3.2
350.25153	0.8
353.07935	1.1
354.08545	0.8
356.07306	0.8
369.07608	2.1
370.08633	1.0
371.09070	9.1
381.07910	1.3
384.06354	1.7
385.07114	5.5
385.10892	1.1
386.07779	5.2
395.09186	3.5
397.11243	4.1
399.08633	1.3
411.08554	2.5
412.09720	1.9
413.10211	49.5
415.11887	1.0
423.08694	6.1
429.09482	1.4
439.11823	4.9
441.09601	8.3
457.06390	1.5
457.12842	25.6
467.11328	3.4
485.12320	26.2
529.14929	100.0
529.38892	6.8
530.15350	2.2
554.27246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1495
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
55.05505	0.6
56.01544	0.6
59.65003	0.5
67.05499	0.7
71.60008	0.6
71.60426	0.7
78.93970	0.6
79.05491	1.0
81.07027	1.2
90.87820	0.5
91.05457	0.7
93.06999	1.0
95.08619	0.7
105.07066	0.6
111.82593	0.6
189.28593	0.6
197.47585	0.5
208.65799	0.6
311.10925	0.6
315.06857	0.8
315.10037	2.6
316.16544	0.7
329.07925	1.4
339.10043	0.7
341.07870	0.8
343.06067	1.2
343.09601	4.2
353.08142	1.0
355.09766	1.0
356.06970	1.1
357.03799	1.2
359.13037	0.6
367.09958	0.9
369.07590	1.6
369.11679	0.8
370.08356	0.8
371.09109	11.9
373.10757	1.1
377.07678	1.3
379.09958	0.9
380.06961	0.7
381.07620	2.0
384.06183	1.9
385.07028	7.0
385.11023	2.3
386.07773	3.7
395.09143	6.6
396.09720	0.9
397.06799	1.7
397.11130	6.2
398.07794	0.9
399.08609	1.9
401.10339	0.8
403.10165	0.7
407.09299	1.3
411.08517	2.9
412.09213	3.9
413.10205	63.5
414.10828	1.0
415.11661	2.8
421.10574	1.6
423.08646	8.1
425.10266	0.9
429.09015	0.9
439.11636	6.4
441.09653	8.0
457.12820	31.3
467.11096	5.1
485.12323	32.9
511.14081	3.5
528.38324	0.8
529.14923	100.0
530.15411	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.2
55.05495	13.2
56.96554	6.5
57.03430	6.5
61.17158	4.0
62.98062	4.2
67.05502	36.7
69.03414	18.2
69.07050	12.0
70.85181	13.0
71.04982	12.0
79.05484	18.8
81.03411	27.0
81.06633	5.7
81.07059	56.4
83.04966	8.3
83.08624	7.5
83.84991	4.3
84.21159	4.6
85.02907	10.9
85.06530	6.5
91.05443	21.0
93.07022	25.1
95.04962	13.3
95.08607	48.1
97.02894	15.2
97.06516	19.3
97.10101	5.3
98.17466	3.8
98.28474	4.6
99.04483	5.3
105.07037	22.9
107.04936	7.8
107.08598	12.2
109.02859	17.3
109.06480	10.6
109.10138	15.3
111.04469	6.3
115.05511	4.8
116.15218	4.3
116.98643	5.4
117.06990	5.9
119.08588	27.3
121.06477	8.2
121.10175	6.1
127.03895	19.5
131.08600	5.9
133.06511	5.5
133.10101	15.6
135.08063	5.3
135.11703	7.2
137.13228	5.1
145.10130	4.6
156.75836	4.7
157.37918	4.1
161.13252	34.6
167.51567	4.1
179.14313	35.2
197.15289	9.3
209.15285	5.8
219.13924	6.2
237.02997	5.3
237.14799	11.9
245.39215	4.4
263.16504	5.0
287.16397	14.2
305.17484	34.5
322.65894	5.3
323.18488	100.0
341.19620	46.4
362.54938	5.5
442.21652	5.5
513.78168	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	528.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01679	0.8
60.04502	0.8
60.94773	0.9
67.05494	1.4
69.03419	2.0
69.07063	11.9
70.02956	2.7
70.06584	3.5
70.99982	0.9
71.04996	1.2
71.59109	1.0
72.08166	1.4
79.05460	0.9
81.03414	1.2
81.04510	1.8
81.07051	1.2
81.82042	0.8
82.02942	4.0
83.06127	1.3
84.04509	1.4
84.08149	2.1
85.02901	3.5
85.07668	1.3
86.09702	100.0
87.05599	5.4
91.05445	0.8
95.08607	1.6
95.13259	1.0
96.08130	0.9
97.02869	1.8
97.03987	5.4
97.06565	1.9
98.02427	3.1
99.05572	2.6
108.04469	1.7
109.04021	2.3
110.02399	2.4
111.05551	1.0
121.60638	1.1
123.05535	1.3
124.04083	1.3
124.05077	6.2
125.03474	6.4
126.06651	2.9
132.10181	2.3
135.01900	1.8
135.05540	1.4
136.05066	2.6
137.03467	1.1
141.02962	1.0
142.06123	8.8
143.08665	1.2
150.06631	3.0
151.05046	2.2
152.04550	13.4
153.02937	1.8
155.11783	2.7
163.03882	3.1
164.04474	2.9
166.08614	5.4
169.07091	1.4
170.05612	4.1
171.11731	1.2
178.06104	3.9
179.05779	4.3
183.11339	1.6
189.10243	1.2
192.11404	1.0
193.09669	1.8
195.08672	1.1
196.07228	2.2
197.06694	1.0
200.13945	2.4
201.07532	1.2
203.08141	1.8
204.08510	1.4
204.11398	1.2
206.05707	1.0
207.13733	1.8
210.12340	1.6
217.09756	1.9
217.12262	1.5
218.09984	1.9
218.12866	1.4
221.06812	2.4
223.08356	1.6
224.06871	1.2
226.11948	1.5
227.08096	1.4
228.08423	1.4
232.10826	3.2
238.09349	4.3
238.11856	6.9
239.07733	1.1
241.09579	1.0
242.10155	1.8
243.08452	1.0
245.09267	6.2
245.18622	3.5
246.09579	6.7
246.12219	2.3
247.11957	2.0
249.06149	2.9
249.13480	5.7
253.61679	1.0
255.14529	3.1
255.17032	1.4
259.10767	1.5
260.10800	1.9
263.10339	2.6
263.15033	2.2
264.10519	3.8
264.13196	1.4
266.08817	13.1
266.11441	9.8
267.07181	2.8
270.10175	1.0
272.10721	1.4
274.11932	2.6
280.12552	1.1
283.13974	6.2
284.09756	5.7
288.10519	3.9
291.14471	7.8
292.10141	1.6
305.11343	6.5
306.11670	11.8
308.17197	1.3
309.15555	3.7
317.12433	1.9
319.14014	5.4
323.12241	1.4
324.12650	3.3
328.09406	1.2
333.10916	1.7
334.11371	1.7
334.15155	5.4
335.13455	2.5
336.16592	7.2
339.20386	0.9
345.12067	1.4
351.17773	7.7
352.16168	3.2
362.14664	4.6
363.12985	2.4
365.13416	12.6
366.13763	33.2
367.13922	1.2
369.18552	2.2
379.17184	19.6
380.15405	1.7
447.23111	1.1
493.23828	1.1
528.17621	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
67.05517	2.0
68.05016	1.9
69.07072	1.8
69.60055	14.4
70.06560	2.4
74.06081	3.0
79.05492	4.8
81.07079	3.0
86.09706	1.9
91.05487	2.2
93.07049	2.1
94.55318	1.7
96.08147	3.1
98.21561	3.2
105.07043	2.4
106.06574	2.8
108.08131	3.2
110.06056	3.3
110.07129	1.9
124.07583	47.5
125.08404	3.1
126.09147	33.3
126.10011	2.9
130.06502	1.9
138.09090	3.0
144.08150	2.6
148.07616	3.2
150.09109	2.4
156.06831	2.6
157.07591	4.1
158.08391	6.4
159.09239	1.9
160.07648	2.4
164.10742	13.4
171.09200	6.8
172.10107	2.0
173.07100	6.6
174.09155	4.7
176.10637	2.5
180.10187	2.5
183.09113	2.7
184.07550	4.0
185.07158	3.5
187.08669	2.4
189.06583	2.2
192.10193	36.4
199.08661	14.5
200.09457	4.9
201.06615	11.7
201.10269	6.0
202.07347	2.3
203.08174	5.3
209.07091	2.4
211.08698	5.0
213.06554	5.0
213.10214	5.7
214.07237	2.0
215.04541	3.2
215.08067	3.7
217.06096	3.2
217.09816	9.4
226.33037	1.8
227.08147	12.4
228.08682	2.1
229.06107	7.7
229.09676	10.5
230.06671	2.2
231.03931	2.0
231.07645	6.6
231.11327	6.9
231.82770	1.9
238.07166	2.6
239.08119	4.2
241.06194	3.2
241.09695	11.0
242.06897	2.0
243.07651	7.9
245.09215	13.3
255.07643	20.2
256.08398	11.9
257.05554	6.8
257.09222	100.0
259.07184	3.9
259.10846	3.0
263.10281	2.9
263.91623	1.9
267.07617	3.2
269.06625	2.7
269.09152	12.2
271.07068	5.5
271.10687	2.7
272.07782	3.0
273.08716	33.3
274.09500	5.7
283.07120	32.5
283.10373	3.3
284.07901	4.3
285.08707	45.2
286.09354	8.9
287.07056	1.7
287.10226	46.4
289.08246	3.9
297.08691	11.1
298.09384	2.7
299.10226	10.6
301.08148	27.9
302.08847	2.6
303.09793	11.3
305.07715	3.8
311.06628	2.9
315.09726	19.4
325.08160	7.9
327.09598	14.2
328.10736	3.3
329.07645	30.4
329.11349	21.2
343.09207	15.4
345.11295	3.0
351.13354	29.2
357.10727	3.8
380.16083	3.3
394.17731	4.2
406.17227	2.6
408.15778	1.8
422.17136	11.8
423.11792	8.3
424.18488	8.3
426.20059	3.8
434.17096	2.3
440.18134	3.8
450.16568	27.9
452.18188	71.6
454.19705	47.3
459.29190	1.9
468.17697	18.1
478.16257	16.1
482.19266	31.2
496.17099	73.8
510.18729	21.5
514.18079	12.1
528.19800	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
53.82159	0.5
55.01862	3.0
55.05509	18.7
57.03441	2.9
57.07066	1.7
59.04997	0.6
65.03602	0.6
65.03931	2.2
67.05503	38.2
69.03415	1.9
69.07069	9.3
70.86526	1.7
71.04983	2.7
77.03908	0.6
79.05494	29.0
81.03415	26.7
81.07056	30.3
83.04967	3.5
83.08618	13.1
85.06537	1.6
85.47172	0.6
86.99809	0.5
91.05481	23.5
93.06461	1.3
93.07039	23.9
95.04369	0.6
95.04965	12.3
95.08603	18.8
97.02860	1.0
97.06529	2.5
97.10165	9.4
99.08071	0.7
101.09673	0.7
103.05460	0.8
103.40250	0.5
105.07030	20.2
105.07745	1.1
107.04971	3.3
107.08591	16.0
109.06510	2.3
109.10153	12.1
111.08080	4.2
115.05458	1.7
117.07016	10.6
119.08574	15.5
121.06503	1.3
121.10139	12.1
123.08064	1.6
123.11705	2.4
125.09634	7.0
125.29671	0.6
128.06227	1.9
129.07013	9.3
130.07808	0.7
131.08562	15.8
131.09517	1.1
133.06494	1.3
133.10130	9.2
134.85321	0.6
135.08064	1.4
135.11705	7.2
137.09622	1.4
141.06985	1.7
142.07797	2.1
143.08563	7.2
144.09303	0.7
145.06496	0.7
145.10124	12.4
147.08034	1.0
147.11694	7.4
149.09636	1.7
149.13277	4.0
153.09097	1.3
155.08562	4.6
156.09464	0.8
157.10115	8.8
159.11671	8.2
161.13287	2.8
163.11183	1.1
163.14886	0.8
167.08546	1.3
169.10138	6.6
171.11658	6.1
173.11766	1.5
173.13269	6.4
175.11160	3.5
175.14825	2.3
181.10159	2.7
183.11673	3.6
185.13252	5.0
187.14835	3.3
189.11191	5.1
189.12712	0.9
189.60188	0.6
191.14232	0.7
193.10356	1.0
193.12233	15.4
195.11694	1.8
197.13277	2.6
199.14804	2.4
201.16440	1.6
203.14343	0.7
209.13271	2.2
211.14847	2.3
213.16469	1.4
221.13266	1.1
223.14827	2.2
225.16432	1.3
229.41336	0.7
235.14934	0.6
243.21129	1.8
249.14891	2.0
261.22101	5.9
267.15897	1.3
271.20499	0.8
283.20972	0.7
283.24222	1.0
285.22131	0.6
289.21707	0.9
299.20535	0.6
299.23779	2.2
301.21921	0.9
301.25195	3.5
311.23663	0.9
315.23502	0.7
317.24808	1.6
323.23755	0.9
325.25394	0.7
327.23291	1.3
329.24600	0.6
335.58365	0.6
349.25339	0.9
355.26239	0.8
417.26773	0.6
417.31470	3.5
435.32578	10.8
453.17722	0.6
453.33676	11.7
471.34625	8.6
509.36249	4.1
527.37305	100.0
528.37744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03939	8.2
55.01865	3.3
55.05267	1.4
55.05512	25.6
57.03433	3.0
57.07058	2.7
57.80662	1.1
59.04998	1.3
62.64261	0.9
65.03944	5.5
65.43920	0.9
67.05501	75.7
69.03427	2.6
69.06711	2.0
69.07062	22.0
69.84461	4.0
69.84875	2.6
71.04987	5.1
71.08588	1.5
71.41505	1.3
73.88190	1.1
77.03916	1.8
79.05490	85.7
81.03416	15.2
81.03853	1.8
81.07054	74.9
83.04975	26.1
83.08623	8.8
85.06528	2.6
89.06030	8.6
91.05479	87.4
93.07039	71.8
95.04965	23.0
95.08604	44.9
95.09222	1.3
97.02866	1.7
97.06511	5.3
97.10156	3.0
99.08107	1.7
103.05444	2.5
105.04511	2.1
105.07025	51.6
107.04964	10.6
107.08588	25.3
109.06516	5.9
109.10155	13.8
111.08079	3.8
115.05439	2.7
116.06323	1.2
117.07004	12.9
119.08572	30.6
121.06493	1.5
121.10143	25.3
123.08067	2.6
123.11700	4.3
127.07554	2.2
128.06238	3.3
129.06125	2.1
129.06995	17.6
131.08569	25.3
133.06459	1.3
133.08652	6.9
133.10124	40.6
135.11705	12.9
141.06955	1.4
142.07765	4.4
143.08545	6.4
145.10129	11.2
147.08060	2.8
147.11671	21.9
149.09636	3.9
149.13255	4.0
155.08586	3.6
157.10124	20.6
159.11711	8.1
161.13249	4.7
163.11188	2.7
169.10168	4.3
171.11739	3.3
173.13278	4.0
175.11194	13.3
175.14778	1.8
177.11320	1.8
181.10088	2.1
183.11684	3.6
183.24310	1.2
185.13237	4.2
187.14723	1.6
193.10437	1.6
193.12224	23.0
195.11742	1.9
197.13249	2.7
199.14876	2.1
209.13432	1.2
211.13243	4.8
211.14989	1.6
243.21080	2.8
261.22107	6.4
267.16022	3.2
317.24771	3.0
328.20203	2.6
335.25882	3.8
417.31631	2.7
435.32700	4.3
453.33398	2.4
471.34354	1.5
509.36380	3.1
527.37317	100.0
528.37738	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.4
58.95843	0.3
65.87872	0.3
69.03442	0.4
69.07050	0.4
69.43473	2.5
70.06588	1.0
72.08152	0.8
81.03426	0.3
84.08091	0.3
91.05484	0.4
97.02881	0.4
107.08665	0.3
109.10140	0.4
116.04876	0.3
120.08106	2.3
127.03942	0.4
133.10220	0.3
135.11613	0.4
219.15088	0.3
219.68333	0.3
237.02823	0.4
255.10890	0.3
265.60202	0.3
275.07455	0.6
281.11334	0.3
311.16733	0.3
311.94485	0.3
325.11771	0.4
326.12173	0.4
335.02646	0.3
335.09552	0.7
343.97226	0.3
353.06046	0.4
395.20209	1.2
407.43808	0.3
413.20206	0.6
417.22006	0.3
437.21426	0.9
495.19751	0.4
523.68774	0.3
527.24628	100.0
528.24884	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.05508	0.3
56.72743	0.2
56.96555	1.0
67.05492	0.6
69.03436	0.3
69.07054	0.5
69.55410	0.4
69.55807	1.6
70.06586	1.3
71.04987	0.7
72.02745	0.2
72.08165	0.3
79.05490	0.7
81.07063	1.3
84.08163	0.4
85.02908	1.3
86.09695	0.6
89.03922	0.4
91.05478	1.0
93.07039	1.1
95.04965	0.5
95.08614	1.3
98.97580	0.8
103.05486	0.4
105.07029	0.8
107.08586	1.1
109.10144	0.5
116.98622	0.6
117.03329	0.5
119.01917	0.5
119.08607	0.8
121.10149	0.5
129.05530	0.5
131.04933	0.6
133.10153	0.4
135.11700	0.5
142.06543	0.2
143.01863	0.3
143.08546	0.3
145.02837	1.2
145.10107	0.5
146.99651	0.3
147.11691	0.3
149.05998	0.3
151.62747	0.3
157.10135	0.3
159.11661	0.3
161.01212	0.5
161.02971	0.5
161.13289	0.2
167.05563	0.2
170.99417	0.2
171.11745	0.8
175.04465	0.3
177.00742	0.7
177.05438	2.3
179.21718	0.3
185.00931	0.3
185.04256	0.8
189.00719	0.4
203.05325	2.4
217.12206	0.5
219.01802	0.4
227.05270	1.2
229.03275	0.5
237.02859	0.6
245.06328	6.8
261.02954	0.4
261.18292	2.8
271.04294	0.6
279.03979	0.8
279.19388	4.3
289.05322	9.7
303.18192	0.7
321.19061	3.3
410.89337	0.3
423.23492	2.2
441.24588	7.0
447.23154	0.4
465.24634	6.0
481.08548	0.5
483.25723	19.9
484.26358	0.5
506.23349	0.6
506.72729	0.5
509.23639	27.3
510.23853	1.0
515.23206	0.9
515.73224	0.7
526.73962	0.6
527.24677	100.0
528.24988	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	527.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01872	7.5
55.05513	2.7
55.22016	1.3
56.96561	2.3
57.03433	6.4
61.02920	3.8
67.05514	7.5
69.03433	25.7
69.07067	2.3
70.06595	3.9
71.05004	4.0
71.60072	1.5
72.08153	2.2
73.02902	4.8
79.05502	8.3
81.03419	22.4
81.07057	12.5
83.04990	2.9
85.02901	41.7
86.09702	3.9
87.00823	18.9
90.13604	1.3
91.05478	12.9
93.03338	1.7
93.07043	12.2
95.04979	4.8
95.08611	5.8
97.02890	14.0
97.06526	6.7
98.97572	2.6
99.04455	7.3
105.01865	8.1
105.07036	17.6
107.04919	2.0
107.08598	6.9
108.93667	1.4
109.02869	16.8
109.06541	2.2
109.10162	3.1
116.98649	2.4
117.01830	2.2
117.07011	9.1
118.06895	2.5
119.04923	2.8
119.08578	12.8
120.08125	2.1
121.06506	19.4
123.08074	2.7
127.03913	24.3
128.06212	2.2
129.01869	2.9
129.06999	5.8
131.08566	21.3
133.06490	2.6
133.10155	4.5
135.08086	4.2
135.11745	1.8
138.36887	1.3
139.81386	1.4
141.07010	3.0
142.07735	1.4
143.08549	18.4
145.05020	7.1
145.06479	4.5
145.10112	10.4
147.08029	8.2
147.11688	9.4
149.01172	2.9
155.08560	8.0
156.09337	3.3
157.10123	8.9
158.99516	1.4
159.02872	7.5
159.08098	12.6
159.11678	14.1
161.05898	1.7
161.09596	11.9
161.13266	4.1
163.11136	9.1
165.09111	3.1
168.09387	3.4
169.10158	2.6
171.07997	1.9
171.11684	22.8
173.06053	1.5
173.09651	8.8
173.13292	15.5
175.11229	6.0
177.05502	2.4
181.10121	2.7
183.11703	13.1
184.08923	1.6
187.11183	5.9
189.12732	12.6
191.10527	2.2
199.11191	15.5
201.09204	1.5
201.12738	42.2
211.11287	2.5
217.12241	27.6
219.13737	19.1
229.12267	16.5
231.05045	4.1
231.13934	1.7
233.15373	10.5
243.13890	3.1
247.13408	5.6
249.14859	100.0
253.11128	1.5
255.22934	1.5
261.14847	28.5
265.14310	8.4
271.12222	3.7
273.18326	1.6
279.15933	39.8
293.05386	1.9
335.01132	1.8
344.38348	1.4
347.76251	1.8
365.23410	2.6
465.24121	1.5
489.20157	3.0
496.94711	1.5
509.22791	2.2
511.43005	1.6
527.24286	20.1
527.31866	4.3
527.41492	1.8
537.82941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.5
57.03436	1.4
69.03428	1.4
69.94231	4.3
84.96025	1.7
85.02866	1.6
97.02898	2.4
98.20808	1.1
98.97572	9.9
101.00912	1.8
110.97575	2.1
112.99206	1.0
113.00877	1.3
116.82811	0.9
116.98643	6.7
119.01925	7.8
128.98640	3.7
131.00169	1.5
131.01877	5.2
133.03471	5.7
134.99664	3.5
136.06174	12.0
137.02950	1.1
143.00175	1.2
143.01944	2.8
144.25162	0.9
145.03487	4.4
146.99667	2.3
147.05074	1.3
149.01204	1.8
150.86305	0.9
155.01851	7.4
157.03490	2.3
158.99719	3.2
159.03302	1.0
159.05078	1.7
161.01283	3.7
161.02921	7.1
162.71577	0.8
163.02768	1.2
167.02039	1.1
169.03464	1.7
170.99699	2.0
171.05032	2.9
173.01353	2.0
173.02922	11.3
175.04532	1.7
177.00771	5.1
179.01926	1.1
185.01326	2.2
185.02928	10.2
185.04276	17.5
185.06703	1.5
187.04572	3.4
189.00768	3.2
197.02980	7.5
201.00778	3.2
203.02264	2.0
203.05394	22.3
215.04010	4.0
219.01773	7.7
219.05327	1.2
219.07237	4.0
221.05069	4.4
227.04066	2.1
231.07118	5.3
233.08676	1.4
237.02808	12.9
245.05070	42.7
246.05347	2.1
247.01155	0.9
248.37134	0.9
255.03926	1.6
255.07230	1.7
257.05124	3.0
261.02936	2.1
263.06171	3.8
273.08298	1.3
275.06363	7.3
279.03867	3.0
287.06125	1.0
289.07706	1.7
293.05142	1.3
305.07196	3.0
305.10654	1.8
307.08774	1.2
321.10419	21.3
322.10638	2.1
335.06494	4.0
339.11288	1.8
347.09476	22.2
348.07111	1.4
353.07635	2.2
365.10498	32.2
381.06772	1.3
383.10345	1.5
385.34232	1.0
399.08032	1.3
407.09811	0.9
453.05515	1.2
495.11111	1.4
509.08255	2.3
527.15845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16312	0.6
61.02945	0.7
70.06588	2.7
70.28091	1.6
84.08123	1.5
85.02915	1.0
86.06114	0.8
86.09673	0.8
97.02888	1.2
110.07201	0.9
129.10207	1.2
146.25589	0.7
163.03928	1.1
184.73129	0.6
185.04195	4.0
203.03188	5.4
221.02951	7.9
239.04044	2.6
263.04025	1.6
277.05511	0.7
292.08496	0.6
299.03879	0.9
347.06024	1.4
347.09717	0.9
365.08380	40.2
383.08340	2.0
401.09357	0.8
485.71555	0.7
527.13751	100.0
528.14063	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1582
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
50.63848	0.6
51.78655	0.6
51.84956	0.6
56.96553	3.1
59.50485	0.6
59.99592	0.5
69.03427	1.0
70.06371	2.7
80.59301	0.6
84.96075	0.7
85.02907	3.0
97.02889	1.8
97.99245	0.6
98.20858	0.7
98.97571	3.9
101.00881	1.6
110.97582	1.4
116.98610	2.8
119.01908	3.7
124.00749	1.1
127.03919	1.5
128.98674	1.4
131.01910	2.4
136.06224	0.7
137.02977	0.8
142.01770	12.9
143.00200	0.9
143.01918	1.5
145.03456	1.9
145.04997	0.9
146.99698	0.9
155.01926	2.7
157.03552	0.7
158.99673	1.5
159.04475	1.7
160.02821	14.7
161.01341	0.8
161.02977	3.2
167.01852	1.3
169.03479	0.8
170.99693	1.7
173.02934	5.3
173.04054	0.5
173.64934	0.6
177.00763	1.8
177.05537	1.3
185.02863	6.3
185.04279	19.7
187.02895	0.6
187.04509	0.9
189.00798	2.4
190.89091	0.5
192.30940	0.6
197.02963	3.8
201.00688	3.3
203.03477	28.1
203.05333	20.6
205.03856	0.7
215.04033	3.4
216.11591	0.6
219.01765	2.9
221.04453	27.7
226.05092	1.0
227.04016	1.7
231.65318	0.6
237.02911	1.1
243.01826	0.8
245.04910	32.9
246.05182	1.4
247.04901	0.7
257.04840	3.4
261.02826	3.8
263.05759	3.8
275.05768	10.1
279.04056	2.5
291.03705	0.8
293.07169	1.2
299.05780	0.8
305.06741	4.4
317.06686	0.8
321.04935	1.1
329.06708	1.8
347.09354	19.0
351.90402	0.6
365.03366	1.4
365.10681	24.5
383.10504	1.3
407.09720	0.7
527.15698	100.0
528.15656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59093	0.4
65.67976	0.4
69.03418	0.8
70.43640	1.7
85.02893	0.8
88.71053	0.5
97.02873	0.7
119.01880	0.8
144.59717	0.5
146.11775	0.5
156.02615	0.5
163.03889	2.6
173.02940	0.6
185.04248	3.7
203.05305	1.7
221.02979	3.5
221.04932	1.1
239.04041	0.8
245.05020	1.0
257.05099	1.8
260.29477	0.4
263.04001	0.5
347.08783	2.4
365.08194	19.8
383.08228	4.9
527.13770	100.0
528.13892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05512	1.0
55.21206	0.6
56.96534	0.9
57.03424	1.4
61.02914	1.0
67.05503	1.0
69.03445	3.3
69.85542	4.3
70.06599	7.1
71.04995	0.8
72.08147	2.0
79.05483	1.8
81.03403	2.2
81.07063	1.5
84.04497	1.6
84.08121	2.0
85.02900	8.4
86.09676	1.0
91.05489	7.8
93.07027	1.7
93.41068	0.8
95.04967	2.3
97.02898	3.3
98.97565	0.6
103.05460	1.9
105.07031	1.6
106.23732	0.7
107.04926	1.3
109.02882	1.0
109.06567	1.0
110.07127	0.9
116.98605	1.0
119.04955	4.5
119.08586	1.2
120.08092	1.2
121.06493	4.2
121.10159	2.4
122.03644	1.6
123.01361	0.8
123.04433	4.8
127.03893	1.7
129.07001	7.2
129.10252	1.2
129.40121	0.8
131.04895	2.3
135.04404	1.5
136.05150	0.7
137.05978	57.1
138.06380	0.8
145.04939	1.0
145.06413	0.9
147.04410	5.0
147.08032	2.9
149.05978	12.3
149.09595	0.8
150.06757	2.3
151.03896	1.0
151.07545	32.7
157.06476	6.0
161.05954	4.1
163.07529	4.7
165.06955	2.1
167.08539	2.2
167.10724	1.5
175.07555	19.9
177.00661	1.0
183.07985	1.5
185.11595	0.7
186.67485	0.7
187.07599	1.5
189.09125	2.1
192.09406	0.7
193.06543	3.0
193.08583	2.0
193.10139	1.8
195.08078	3.5
210.06786	1.7
211.07587	2.7
213.09093	4.4
221.06013	5.2
221.09648	3.0
223.07610	1.9
225.05473	1.0
225.09132	3.6
227.10551	1.7
235.07329	0.8
237.02750	0.7
239.06984	3.3
239.10655	1.1
239.96526	0.7
241.08638	4.0
249.09184	3.0
253.08603	5.9
253.12204	4.5
255.06712	0.9
255.10098	1.1
256.07306	0.9
258.08917	3.2
267.10165	2.4
270.08881	1.5
271.09647	16.8
273.11301	8.5
279.09314	0.8
281.11795	1.0
285.10986	1.2
299.12808	21.3
317.13834	100.0
318.14206	1.4
319.87723	0.8
329.13898	1.1
526.19733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05355	4.7
52.88491	4.3
55.05512	12.6
56.96569	14.7
59.63931	5.6
66.04767	5.0
67.05495	21.0
69.07066	21.9
69.48847	8.9
69.49255	33.9
70.06570	6.0
75.46477	5.5
79.05479	21.4
81.03432	5.6
81.07057	71.4
85.02894	17.4
85.06531	7.6
91.05488	25.9
93.07044	30.5
94.06579	10.6
95.04963	7.5
95.07349	6.4
95.08606	51.6
96.04462	7.2
96.08141	9.9
97.02883	7.2
97.10173	9.2
98.21465	11.2
99.08079	9.6
101.07175	7.5
105.07024	25.6
107.08557	28.2
108.08127	11.6
109.10143	47.8
110.09675	27.6
111.08045	7.0
115.05453	7.9
117.07059	12.5
119.08588	15.6
120.08093	22.6
121.10162	19.8
123.11686	23.4
127.03880	5.8
127.11195	11.9
128.06223	9.5
129.07010	32.7
131.08568	14.5
133.10107	7.3
135.11659	10.3
136.07565	14.4
137.13257	9.0
138.09152	29.3
141.07004	7.4
142.07758	9.3
143.08559	52.9
145.10110	22.2
147.11687	11.5
149.13271	17.7
155.08553	9.1
156.09341	14.6
157.10109	10.6
159.11778	5.1
163.14792	8.3
165.06970	6.9
166.08672	76.7
169.10109	5.6
171.11703	100.0
172.12080	4.9
173.13255	10.1
181.10173	18.7
191.17848	7.5
199.11145	42.9
205.19582	5.9
206.76622	6.1
217.12259	91.7
219.40315	4.5
245.11719	32.2
259.97696	5.6
263.13000	5.4
266.08020	13.1
271.62689	5.0
273.25803	11.8
289.05273	7.7
291.26877	33.8
294.07886	6.4
304.15445	37.4
309.27902	34.0
312.08691	12.0
327.28989	7.8
339.27063	5.1
363.19162	21.0
372.10870	21.7
385.41443	5.2
415.15991	5.6
493.16187	8.3
525.23492	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.4
55.05510	44.9
57.07067	31.5
67.05501	43.4
69.03429	62.4
69.07066	70.0
69.42894	54.9
71.08648	14.6
79.05492	36.1
81.03409	24.9
81.07053	100.0
83.04988	11.8
83.08620	46.9
85.02894	51.2
85.06538	25.2
85.10157	10.8
87.00829	22.0
91.05450	35.8
93.07051	42.7
95.04973	14.8
95.08600	97.6
97.02895	33.7
97.06529	13.6
97.10152	22.4
99.04478	11.9
99.08100	12.9
105.07017	39.7
107.08582	45.7
109.02890	16.4
109.06518	28.1
109.10162	59.3
111.04469	12.1
111.08080	34.9
111.11687	8.5
117.07040	14.1
119.08593	31.2
121.06497	9.6
121.10132	35.7
123.08144	9.4
123.11685	39.6
125.09665	12.4
125.13311	9.7
127.03901	11.7
131.08549	20.7
133.10155	20.2
135.08098	17.8
135.11639	13.8
137.09621	14.5
139.11200	19.5
139.17183	7.7
145.10155	24.8
147.08029	7.7
147.11699	15.2
149.09604	16.2
149.13263	21.0
153.09126	13.6
157.10130	12.0
159.02869	15.7
159.11742	13.9
163.14780	10.2
187.14807	10.6
207.10063	14.9
213.12756	10.3
266.88034	7.0
305.28403	10.0
317.28378	8.1
350.01358	8.1
373.31094	9.7
385.30908	22.7
403.32059	20.2
421.33228	8.5
427.01154	8.3
486.95712	8.6
489.31891	12.3
507.33267	15.0
525.33588	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	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01854	4.7
55.05508	9.3
57.03423	4.8
57.07082	5.7
60.35690	1.1
61.02918	1.4
63.09505	1.0
65.03930	1.2
67.05498	18.6
68.99765	3.2
69.03075	1.7
69.03428	31.6
69.07060	6.4
69.45881	10.4
71.01340	1.1
71.04978	5.1
73.02898	4.6
79.05486	8.3
80.69896	1.3
81.02978	1.9
81.03414	23.4
81.07056	20.7
81.08292	1.2
83.04973	4.2
83.08636	1.2
85.02429	2.0
85.02908	32.3
85.06539	65.9
87.00823	14.0
87.04436	1.2
91.05482	9.2
93.07057	8.7
95.04976	6.2
95.08040	1.9
95.08598	21.3
97.02881	10.4
97.06521	5.4
99.04459	7.2
99.08089	71.0
105.01855	6.6
105.07027	23.0
107.04951	1.8
107.08578	13.7
109.02869	20.7
109.06522	11.3
109.10158	11.9
111.08086	3.1
113.09657	1.5
115.03917	1.7
116.98627	2.0
117.01860	2.3
117.07008	3.6
119.08575	26.8
121.06520	2.5
121.10140	29.2
123.08061	9.3
123.11674	6.9
125.05993	2.5
125.09631	16.3
127.03912	27.4
128.06236	1.5
129.01855	2.5
131.08574	6.3
133.10127	17.6
135.11674	4.4
137.09633	6.0
137.13289	1.6
139.11208	5.8
142.07883	1.9
143.08569	6.6
145.04938	5.8
145.10135	9.3
147.02806	1.4
147.08040	1.9
147.11684	32.8
149.09583	2.0
149.13272	3.5
151.11166	4.0
153.12730	1.3
155.08495	1.6
156.09448	1.6
157.10135	8.3
159.02869	9.9
159.11688	9.5
161.09599	2.9
161.13254	7.6
163.14684	1.2
165.09047	1.6
165.12749	18.1
169.10088	2.5
170.10933	2.3
171.11697	8.1
173.13242	6.3
175.11221	4.7
175.14796	5.7
177.12698	2.9
179.14288	12.7
184.12445	2.0
185.13257	10.3
189.12773	3.3
189.16513	1.3
190.13504	2.0
199.14825	11.2
201.16405	15.3
203.14268	6.9
213.04015	1.7
215.17899	2.6
217.15819	3.3
231.04993	2.5
231.17271	1.7
241.19566	8.0
259.20563	100.0
277.21655	12.0
288.95700	1.1
331.08286	1.3
335.09576	1.4
481.24054	2.7
525.28137	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56731	2.7
53.03943	7.4
55.01871	3.9
55.05505	13.7
56.96552	9.6
57.03439	5.6
57.07069	7.4
61.02917	3.5
65.03934	3.5
66.85831	2.5
67.05501	29.9
69.03428	43.9
69.07063	7.9
71.04980	3.5
71.60118	4.4
72.55775	3.3
73.02943	6.4
79.05493	18.0
81.03407	26.5
81.07064	22.4
83.04967	6.3
83.08604	4.5
85.02910	40.0
85.06063	5.8
85.06544	66.9
87.00832	15.8
91.05475	13.1
93.07040	16.2
95.04977	6.5
95.08038	3.8
95.08607	39.6
96.08966	2.7
97.02904	17.4
97.06520	10.2
97.10167	2.9
98.97583	9.8
99.04466	10.2
99.08092	84.8
105.01860	10.4
105.07037	25.4
107.04952	18.3
107.08604	14.7
109.02883	23.3
109.06499	15.1
109.10138	15.3
111.08062	5.4
116.98618	9.7
117.06987	4.1
119.08569	35.0
121.10155	38.4
123.04497	3.2
123.08081	9.1
123.11687	10.0
125.05975	3.8
125.09646	17.0
127.03922	33.0
129.01833	4.3
130.07655	2.7
131.08560	5.9
133.10112	20.8
134.99654	6.5
135.08011	4.6
135.11653	4.1
137.09581	5.8
139.11150	6.8
143.08560	7.7
145.04973	9.2
145.10175	13.6
147.04376	3.2
147.07976	4.7
147.11676	42.3
149.09595	3.1
151.11188	5.9
155.08598	3.4
156.09370	3.2
157.10112	10.3
158.99704	3.2
159.02966	14.6
159.11708	10.7
161.09575	3.1
161.13255	8.1
165.12735	18.0
171.11688	12.4
173.13261	5.3
175.11217	6.5
177.00662	3.8
177.12698	3.3
179.14307	17.6
183.11740	3.5
185.13257	11.5
189.09053	2.7
189.12700	3.3
199.14832	12.5
201.09085	9.6
201.16411	14.9
203.14308	4.6
219.01796	5.0
237.02852	9.0
241.19536	6.9
259.20566	100.0
277.04510	4.3
277.21664	9.0
295.15686	5.4
319.15579	3.7
357.56870	3.0
407.16742	3.0
439.19772	26.0
457.20773	4.0
481.21417	10.6
525.27966	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	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66026	1.4
53.03941	7.2
55.01860	3.8
55.05510	10.5
57.03428	4.8
57.07067	6.2
61.02913	2.7
65.03923	2.4
65.35583	1.3
67.05499	20.0
68.99799	1.7
69.03426	33.3
69.07064	8.2
69.46990	7.2
69.47414	5.0
71.04990	3.8
73.02909	4.1
79.05488	13.5
79.12120	1.3
81.03407	24.2
81.07053	21.4
83.04984	5.8
83.08629	2.3
85.02899	27.1
85.06539	68.2
85.71751	1.4
87.00809	12.5
91.03961	1.5
91.05481	9.3
91.90083	1.5
93.07043	14.2
95.04964	6.0
95.08604	23.7
97.02901	13.0
97.06516	3.8
98.97579	5.9
99.04457	8.8
99.08089	81.2
105.01859	9.3
105.07015	26.0
107.04974	4.9
107.08591	12.3
109.02882	22.0
109.06519	11.6
109.10168	13.7
111.04436	1.6
111.08096	3.5
113.09645	1.4
116.98620	5.0
117.01879	1.7
117.07034	3.4
119.08572	28.7
121.06495	3.2
121.10130	32.6
123.08067	9.3
123.11713	9.6
125.05972	2.9
125.09633	17.2
127.03916	28.1
128.06180	1.6
129.06993	2.3
131.08585	6.9
133.06509	1.9
133.10144	15.4
134.99637	2.8
135.08049	3.5
135.11682	4.8
137.09625	7.6
137.13185	3.4
139.11192	6.5
142.07767	3.6
143.08556	7.8
145.04951	7.9
145.10146	10.3
147.08063	5.6
147.11691	32.2
149.09732	1.5
149.13248	3.1
151.11206	5.0
155.08513	2.7
157.10115	10.1
158.99710	1.7
159.02893	7.0
159.08043	2.1
159.11685	9.1
161.09602	4.3
161.13263	6.5
163.11197	2.8
165.09097	12.0
165.12747	20.4
166.09424	4.2
169.10133	3.3
170.10826	2.3
171.11656	9.6
173.01190	2.2
173.13272	7.4
175.11212	5.8
175.14830	4.0
177.00737	2.7
177.12708	4.0
179.14282	16.3
181.10132	2.1
185.13239	11.0
187.11220	1.8
187.14696	1.6
189.12781	3.8
190.13577	1.6
191.02249	3.3
191.14294	2.0
199.11267	3.0
199.14816	11.6
201.00674	1.7
201.09058	4.0
201.16350	12.5
203.14334	5.3
213.03871	1.6
217.15959	3.3
231.04988	5.3
233.03223	1.7
237.02808	1.6
241.19489	7.9
259.20563	100.0
260.20999	1.8
261.22101	1.6
277.14719	2.6
277.21494	9.1
295.15662	1.9
319.15897	3.6
337.16531	1.6
398.02191	1.6
404.08160	1.6
427.15640	4.6
439.19916	5.1
461.23245	2.6
479.24231	3.3
481.21387	5.8
489.22614	3.3
525.27576	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	525.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.96561	0.8
61.92685	0.3
67.05499	0.6
69.03419	0.7
69.07067	0.4
70.06592	1.0
71.04997	0.4
71.21468	0.7
72.08115	0.4
73.77731	0.3
79.05501	0.4
81.03410	0.6
81.07070	1.0
85.02905	0.9
86.09702	0.6
91.05476	0.4
91.57735	0.3
93.07028	0.7
95.04996	0.3
95.08585	0.6
97.02861	0.6
97.06523	0.4
98.97615	0.4
105.07040	0.6
107.08604	0.6
109.02863	0.6
109.06494	0.7
109.10157	0.3
116.98613	0.4
119.39007	0.3
120.08124	0.6
121.10130	0.5
127.03900	0.6
133.10129	0.4
136.07503	0.3
137.05928	0.3
137.09660	0.4
139.89880	0.3
147.11632	0.6
149.09608	0.4
182.72656	0.3
207.13803	0.4
209.15521	0.4
216.12434	0.3
225.08035	2.1
226.08345	0.5
227.07669	0.4
243.09084	1.2
244.09793	0.4
267.09036	0.6
275.07480	0.7
277.14294	0.4
291.14453	0.3
327.11176	0.3
333.07996	0.6
335.09457	6.3
369.12695	0.3
393.18713	0.9
435.19864	0.6
481.20905	0.4
525.23083	100.0
526.23206	1.3
545.39923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89796	2.2
52.08092	2.0
53.03946	2.9
54.16215	2.2
55.05514	11.4
56.96559	2.3
57.03430	2.2
58.74142	2.0
62.10225	1.8
67.05513	14.7
68.30173	2.2
69.03424	10.6
69.07076	10.1
71.04979	5.1
71.59788	3.2
79.05494	16.2
81.03400	8.2
81.07063	24.0
83.04988	12.6
83.08614	6.4
85.02917	10.1
85.06533	4.6
87.00827	3.6
91.05482	11.3
93.07045	24.8
95.04955	5.3
95.08612	17.9
97.02862	2.5
97.06505	4.1
97.10164	2.7
99.04430	3.4
101.04688	2.1
105.01849	2.7
105.07025	16.9
105.93874	2.1
107.04951	6.5
107.08602	21.7
109.06507	3.8
109.10170	19.2
111.08067	4.8
113.09631	6.6
117.73740	1.9
118.26937	1.9
119.04955	4.0
119.08574	28.8
121.06478	6.0
121.10143	28.5
122.07262	3.4
123.08067	4.1
123.11706	10.6
125.09614	6.1
127.03903	5.0
131.08582	5.1
133.10139	49.4
135.08073	4.2
135.11691	9.5
137.09613	30.2
139.11136	6.3
140.36246	2.3
145.10083	11.7
147.04437	13.7
147.08015	3.8
147.11662	9.2
148.04880	2.5
149.09625	6.9
149.13229	4.2
151.11159	12.4
159.11626	5.6
161.09569	3.4
161.13246	5.6
163.11143	3.9
165.12759	3.3
169.86501	2.1
173.13278	3.6
175.11101	2.6
175.14836	23.3
189.12810	3.8
191.14418	3.2
193.15912	2.8
199.14777	3.4
201.16400	5.0
203.14301	7.6
211.13330	3.0
217.15915	2.2
241.19498	6.2
255.06976	2.2
259.20560	36.4
277.21637	100.0
278.22055	2.6
285.09830	2.2
289.21622	3.3
354.51105	2.4
410.62418	2.7
489.25122	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.64201	0.6
55.99133	0.6
56.05033	1.5
56.38464	0.6
57.07059	2.4
58.06590	1.7
60.08160	16.0
65.50845	0.5
67.05492	1.7
70.88607	0.6
71.07369	6.9
71.08616	2.1
71.60429	0.8
81.07040	1.1
85.10168	1.1
86.09699	51.2
89.77285	0.6
95.08584	1.7
97.10159	0.8
98.98447	4.1
104.10736	100.0
104.47639	0.7
109.10104	0.8
112.66300	0.6
124.99998	26.8
163.01579	0.7
175.13255	0.6
184.07329	98.6
245.29396	0.6
258.10934	1.0
341.30594	1.1
467.68796	0.7
506.36096	8.9
524.37061	31.5
525.37915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05496	0.2
56.05038	0.5
57.07075	0.5
58.06367	0.1
58.06600	0.3
60.08161	6.7
60.08473	0.4
67.05492	0.3
69.07045	0.2
70.06599	0.2
70.86056	0.4
71.07372	3.0
71.08622	0.4
81.07049	0.3
85.10237	0.2
86.09702	30.6
95.08606	0.3
98.97854	0.2
98.98468	2.7
99.26962	0.2
104.10736	3.4
124.99999	20.4
136.40727	0.1
143.01004	0.4
166.02629	0.2
184.07330	100.0
185.07678	0.2
226.17863	0.2
258.10947	0.2
322.02240	0.2
341.30334	0.2
506.35889	1.1
524.37091	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17023	1.7
57.03400	2.3
59.80090	1.7
65.03941	2.5
69.65996	7.8
69.66410	4.4
74.85795	2.0
79.05474	2.5
81.07032	2.1
85.14100	1.8
91.05481	100.0
93.07038	3.1
96.08127	4.9
103.05454	3.4
105.07027	21.9
107.42312	2.4
117.07011	2.4
119.08575	2.5
120.08089	23.6
125.11393	2.0
128.06201	2.1
131.08553	4.2
135.08054	2.3
141.06956	3.8
143.08539	5.0
146.05995	4.7
155.08565	2.8
157.10095	4.9
167.08582	2.8
169.10139	5.9
171.11719	2.0
173.09598	3.6
178.81638	2.0
179.08511	3.2
181.10144	3.0
183.11737	3.9
185.09560	2.3
192.09389	2.7
195.08078	2.3
195.11780	3.6
198.09149	2.5
206.10968	3.8
209.13301	3.8
210.09119	3.3
211.14932	4.9
212.10699	2.6
219.11797	2.7
221.13348	3.8
223.11356	3.0
228.10158	3.1
237.12798	2.8
239.14201	11.7
240.10251	2.8
253.15953	3.0
264.13812	6.5
270.14966	2.7
280.13110	3.0
281.15277	4.0
294.14728	4.4
297.02628	2.0
298.14264	3.8
306.84677	1.8
318.14993	2.6
320.16434	5.8
343.20511	5.8
344.16565	4.7
358.21524	3.2
368.19891	3.8
376.22540	2.4
386.21054	11.2
390.20639	16.3
400.22711	3.0
404.22226	62.0
405.22391	2.2
406.10999	2.1
418.23511	3.2
420.29343	2.1
428.22260	23.4
430.04889	2.3
446.23300	16.4
464.24274	4.2
510.75513	2.6
524.26196	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.79220	1.0
55.01861	1.8
55.05507	15.3
57.03222	0.8
57.03440	8.3
57.07075	47.0
65.03925	1.5
65.76161	0.9
67.05503	29.9
67.05868	1.4
69.07061	12.2
71.05001	4.4
71.08629	28.2
78.63011	0.9
79.05492	18.9
79.98429	0.9
81.03416	43.5
81.06572	1.8
81.07055	37.7
82.64368	0.8
83.04980	7.1
83.08621	29.8
85.02904	23.1
85.06527	1.3
85.10181	19.7
91.05477	21.3
91.06008	1.8
93.07042	10.1
95.04967	18.8
95.08604	31.8
97.02895	2.8
97.06529	3.0
97.10156	9.3
99.08118	0.9
99.11703	1.2
103.50432	0.8
105.07025	15.8
107.04971	3.0
107.08584	4.2
109.06539	3.4
109.10153	15.9
111.04458	1.2
111.08084	7.7
111.11715	1.5
113.06002	1.9
115.05502	1.1
119.08586	12.5
121.10130	6.6
123.08055	1.6
123.11684	6.7
125.09634	1.0
125.13284	1.1
129.06992	5.8
131.08559	6.7
133.06464	2.5
133.10133	7.5
137.09636	1.6
137.13237	2.0
140.35432	0.9
145.10152	1.1
147.08025	1.5
147.11688	8.3
149.09616	3.5
153.99817	1.0
157.10126	10.5
157.11270	1.1
165.12738	2.1
165.48553	0.9
175.11189	11.6
179.03281	1.0
193.12236	45.3
211.13283	50.5
229.55798	1.5
239.23691	5.9
249.14989	1.1
267.15973	4.2
267.88474	1.0
269.95306	0.9
313.27393	5.7
505.38760	3.1
522.67676	0.9
523.39935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88504	7.9
55.05507	24.0
57.03436	18.0
57.07069	68.8
61.59942	7.6
65.76064	8.2
67.05495	47.0
69.07065	24.7
71.08620	42.6
71.34946	16.7
71.35282	10.0
79.05489	25.2
81.03416	100.0
81.07066	46.6
83.08615	33.1
85.02914	19.1
85.10175	22.3
91.05472	26.8
93.07041	24.6
95.04975	31.0
95.08607	42.2
105.07045	21.8
107.04939	12.3
109.10152	17.8
111.08082	17.2
119.08624	13.0
121.10155	17.3
131.08522	13.5
133.06599	10.2
139.47356	8.7
147.11665	14.2
148.17802	8.4
175.11195	17.2
193.12279	72.4
211.13274	35.9
215.32214	8.6
239.23878	11.1
267.15930	75.1
298.29199	9.0
313.27335	87.7
450.17145	9.9
505.38770	39.9
523.25378	85.9
523.39948	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	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
53.19521	2.7
55.01871	5.3
55.05513	86.0
57.03434	16.5
57.07068	5.0
61.61443	2.7
65.03939	2.9
67.05506	100.0
69.03429	6.6
69.07073	27.9
71.08632	3.2
71.59617	3.7
79.05492	57.7
81.03416	3.4
81.07058	98.9
82.07406	2.9
83.04978	5.9
83.08623	51.3
85.06534	5.0
87.27879	3.0
91.05470	31.4
93.07037	67.4
95.04973	4.6
95.08604	61.8
97.10171	98.1
98.14698	2.5
102.39216	2.5
105.07024	20.7
107.08591	61.2
109.06458	3.2
109.10154	28.2
111.08078	5.9
117.06997	8.7
119.08589	16.8
121.10146	28.8
123.11714	12.3
125.09634	79.2
131.08565	14.5
133.10149	18.3
135.08057	12.3
135.11699	20.5
137.13170	4.6
143.10733	4.1
145.10155	12.2
147.11693	14.7
149.13240	10.6
153.09012	4.0
159.11673	13.3
161.13336	3.4
163.14845	3.9
171.10170	7.1
172.95239	6.5
173.13290	11.9
175.14935	3.9
177.16435	3.7
186.56165	2.6
187.14801	5.8
188.94229	2.9
189.11215	68.1
189.12898	3.5
190.96294	4.7
227.12769	58.4
228.97887	3.4
241.37779	2.8
243.21181	13.7
245.13849	94.1
258.00140	3.0
261.22162	80.0
279.23196	9.5
313.82129	3.4
317.24606	8.4
332.59796	2.7
335.25781	64.2
431.31747	5.7
487.34021	13.0
505.35284	22.4
523.36298	6.2
525.10938	3.0
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
53.03930	4.4
55.01878	9.9
55.05260	5.5
55.05511	85.3
57.03446	22.4
57.07071	12.3
67.05506	97.7
69.03421	11.1
69.07064	21.6
69.61662	32.5
71.08628	6.3
79.05493	63.1
81.03410	11.2
81.07056	100.0
83.04994	7.6
83.08618	50.9
84.40666	3.9
91.05476	33.0
93.07049	66.4
95.04977	7.0
95.08614	67.1
97.06543	4.2
97.09548	5.0
97.10171	85.7
105.07027	26.1
107.08591	64.6
109.06547	4.3
109.10159	33.7
117.07014	15.7
119.08579	24.3
121.10153	30.5
123.11710	19.6
125.09631	74.3
131.08574	18.3
133.10130	17.6
135.08032	5.6
135.11665	21.5
145.10150	15.0
147.11685	12.2
149.13275	14.9
153.09065	8.1
153.51842	4.3
159.11725	7.5
161.13304	8.8
163.14816	6.1
171.10127	7.5
172.95209	9.5
173.13272	12.2
187.14771	4.8
189.11218	66.5
190.58438	4.3
190.96223	6.1
193.12219	8.4
225.83415	3.6
227.12788	80.2
243.21120	15.0
245.13812	83.1
261.22153	75.6
267.15952	9.0
278.94586	3.8
279.23212	10.6
313.27393	8.0
317.24811	16.9
335.25784	70.1
379.62463	4.3
431.31567	4.9
487.33994	4.5
504.04114	4.2
505.34814	29.4
523.24640	43.2
523.35889	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	523.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05508	11.0
56.96548	3.5
57.07065	2.2
58.99588	3.6
61.01144	29.4
67.05497	12.6
69.03423	7.0
69.07075	12.2
69.96628	7.6
69.97050	3.5
70.06590	10.0
76.34357	2.0
79.05492	12.3
79.05914	1.9
81.03423	5.7
81.07051	24.1
83.04964	5.1
83.08612	4.7
85.02905	7.1
85.06536	4.6
86.09699	8.2
86.99042	5.3
89.00610	34.6
91.05470	15.8
93.07039	18.5
95.04980	5.9
95.08595	29.1
97.02927	3.9
97.06508	9.7
97.10156	2.3
105.00051	3.6
105.07028	18.7
107.08587	14.5
109.02875	4.6
109.06471	2.7
109.10152	13.4
111.08122	2.8
115.05456	2.6
116.98664	2.4
117.07035	6.6
119.08587	14.8
120.08118	5.5
121.06523	2.7
121.10163	10.1
123.11694	3.4
127.03952	4.0
127.11125	4.6
128.06203	4.6
129.07013	10.4
131.08597	9.8
133.10126	11.8
135.08047	3.0
135.11702	5.2
135.89154	2.1
137.09615	3.8
141.06996	4.7
142.07793	3.3
143.08574	9.3
145.05020	1.9
145.10112	19.4
147.08047	2.9
147.11674	11.2
149.13239	5.2
151.14783	2.3
153.06953	2.8
154.07767	4.9
155.08507	4.8
155.10632	4.4
157.10159	6.4
158.07228	3.0
159.07928	4.4
159.11725	6.9
161.05980	2.3
161.13281	4.8
162.02194	4.9
163.11263	2.4
165.06967	2.2
165.12738	2.2
167.08569	2.7
169.06525	2.3
169.10120	9.3
171.08064	4.0
171.11681	13.5
173.09575	5.6
173.13341	4.2
175.07599	3.1
175.11198	2.4
175.14796	3.1
179.08556	2.5
181.10124	4.5
183.04701	2.5
183.08005	3.1
183.11565	2.5
185.09698	2.8
187.14915	2.6
193.10135	2.3
197.09598	10.8
199.11205	7.1
207.11774	2.1
211.07526	15.9
212.08313	8.9
213.09058	6.8
215.10753	4.2
217.12186	11.2
221.12907	3.2
225.09082	67.8
226.09645	6.6
241.12233	3.1
243.10141	4.2
261.11078	11.2
271.24231	7.1
275.20206	2.2
287.12720	2.9
289.25244	7.8
301.08853	4.0
307.26306	4.1
314.64832	2.1
347.09433	100.0
347.57468	2.5
348.09842	10.1
373.16525	9.7
385.21579	3.4
413.20956	2.3
431.22232	19.0
449.23151	4.5
459.22144	4.1
477.12064	3.3
477.22714	54.5
478.23083	5.8
505.22629	3.7
523.12671	11.7
523.22113	13.4
523.29333	3.0
524.12622	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01863	9.7
55.05507	24.8
56.96559	4.6
57.03435	6.7
57.07067	7.4
57.99100	2.6
61.02930	3.0
62.99781	2.2
65.03946	3.0
67.05500	35.6
68.99786	4.7
69.03426	41.4
69.07066	46.7
71.04991	10.0
71.08605	2.3
71.60571	4.8
73.02932	3.6
79.05487	32.4
81.03408	34.5
81.07051	88.9
82.81834	2.1
83.04994	12.2
83.08618	14.7
85.02898	29.9
85.06557	19.2
87.00823	10.3
91.05476	31.6
93.07037	46.6
95.04946	16.1
95.08601	73.3
97.02885	11.8
97.06523	76.8
97.10165	10.8
98.97594	3.0
99.04459	10.3
99.08102	7.6
103.03957	2.4
103.05504	2.9
105.01845	4.9
105.07023	42.0
107.04953	7.3
107.08586	41.0
109.02879	18.4
109.06521	10.9
109.10143	39.8
111.04441	9.8
111.08071	8.6
111.11689	5.4
113.09624	2.9
115.03942	6.0
115.05477	3.7
117.07010	14.5
119.08561	31.9
121.06499	8.7
121.10120	29.0
121.87517	2.3
123.04459	3.4
123.08079	8.5
123.11701	22.8
125.09621	7.2
127.03905	27.3
127.07553	2.8
128.06218	6.1
129.05472	3.2
129.06978	14.0
130.07758	3.2
131.08583	27.1
133.06427	4.4
133.10117	27.7
135.04419	3.0
135.08052	10.1
135.11703	18.0
137.05943	3.1
137.09599	6.6
137.13246	7.4
139.11180	3.7
141.07001	7.2
142.07768	6.1
143.08537	19.3
145.04970	4.1
145.06480	6.7
145.10100	31.8
147.08038	6.6
147.11694	15.5
149.09598	6.4
149.13213	16.9
151.07541	4.4
151.11153	3.8
152.06218	2.9
153.07022	4.7
155.08572	7.3
156.09375	3.4
157.10117	27.1
159.02995	2.7
159.08093	8.7
159.11661	16.2
161.05971	8.9
161.09639	7.6
161.13284	9.8
163.07552	3.1
163.11147	5.2
163.14815	9.2
165.09123	4.9
167.08580	6.9
169.10138	11.3
171.08070	8.7
171.11674	13.0
173.09645	12.5
173.13243	11.4
175.07562	6.9
175.11230	4.5
175.14815	4.4
177.09077	3.1
177.12767	4.9
179.10641	4.0
181.10123	3.9
183.08076	4.3
183.11728	5.5
184.08777	2.8
185.09590	9.3
185.13286	5.1
187.07541	10.5
187.11171	5.8
187.14859	6.0
189.03979	3.6
189.09146	10.2
191.10672	6.6
191.17953	4.8
195.08110	6.5
195.11743	4.3
196.08936	2.6
197.09637	6.5
197.13319	4.2
199.07590	5.9
199.11182	7.9
201.03955	2.9
201.09123	4.7
201.12694	5.4
201.16475	3.0
203.10738	5.6
203.14523	2.9
203.18019	4.2
205.12271	3.8
209.09691	3.0
211.11145	5.8
213.09132	11.2
213.12737	4.0
213.16338	2.5
215.10718	4.5
215.14388	3.9
215.18190	2.5
216.07852	2.9
217.08604	5.3
217.15749	3.0
225.12732	2.9
227.10640	6.5
227.18048	3.3
229.08723	3.8
231.05020	3.5
231.10114	4.8
239.17961	2.8
241.08835	3.4
243.13873	3.7
243.21300	3.0
245.11870	4.3
255.10457	2.4
259.09772	4.0
265.11755	3.2
275.20096	4.7
283.13318	9.0
287.12778	9.2
289.25223	3.0
297.15216	3.1
299.12927	5.2
303.26736	5.0
309.14835	5.9
311.16327	2.8
313.14371	4.9
315.26953	5.1
317.28293	2.8
327.15887	6.0
331.15311	7.5
355.15292	10.0
359.29349	3.4
373.16461	100.0
374.16934	5.2
383.21918	4.3
383.29385	11.8
401.30554	14.3
413.20953	2.8
419.31461	7.8
431.22305	15.6
433.23346	4.3
437.17752	4.5
459.21664	12.2
463.18195	5.2
477.22757	7.5
487.21863	7.0
487.30453	11.0
505.23502	3.4
505.31488	16.8
523.20898	15.2
523.29242	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	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01863	9.7
55.05507	24.8
56.96559	4.6
57.03435	6.7
57.07067	7.4
57.99100	2.6
61.02930	3.0
62.99781	2.2
65.03946	3.0
67.05500	35.6
68.99786	4.7
69.03426	41.4
69.07066	46.7
71.04991	10.0
71.08605	2.3
71.60571	4.8
73.02932	3.6
79.05487	32.4
81.03408	34.5
81.07051	88.9
82.81834	2.1
83.04994	12.2
83.08618	14.7
85.02898	29.9
85.06557	19.2
87.00823	10.3
91.05476	31.6
93.07037	46.6
95.04946	16.1
95.08601	73.3
97.02885	11.8
97.06523	76.8
97.10165	10.8
98.97594	3.0
99.04459	10.3
99.08102	7.6
103.03957	2.4
103.05504	2.9
105.01845	4.9
105.07023	42.0
107.04953	7.3
107.08586	41.0
109.02879	18.4
109.06521	10.9
109.10143	39.8
111.04441	9.8
111.08071	8.6
111.11689	5.4
113.09624	2.9
115.03942	6.0
115.05477	3.7
117.07010	14.5
119.08561	31.9
121.06499	8.7
121.10120	29.0
121.87517	2.3
123.04459	3.4
123.08079	8.5
123.11701	22.8
125.09621	7.2
127.03905	27.3
127.07553	2.8
128.06218	6.1
129.05472	3.2
129.06978	14.0
130.07758	3.2
131.08583	27.1
133.06427	4.4
133.10117	27.7
135.04419	3.0
135.08052	10.1
135.11703	18.0
137.05943	3.1
137.09599	6.6
137.13246	7.4
139.11180	3.7
141.07001	7.2
142.07768	6.1
143.08537	19.3
145.04970	4.1
145.06480	6.7
145.10100	31.8
147.08038	6.6
147.11694	15.5
149.09598	6.4
149.13213	16.9
151.07541	4.4
151.11153	3.8
152.06218	2.9
153.07022	4.7
155.08572	7.3
156.09375	3.4
157.10117	27.1
159.02995	2.7
159.08093	8.7
159.11661	16.2
161.05971	8.9
161.09639	7.6
161.13284	9.8
163.07552	3.1
163.11147	5.2
163.14815	9.2
165.09123	4.9
167.08580	6.9
169.10138	11.3
171.08070	8.7
171.11674	13.0
173.09645	12.5
173.13243	11.4
175.07562	6.9
175.11230	4.5
175.14815	4.4
177.09077	3.1
177.12767	4.9
179.10641	4.0
181.10123	3.9
183.08076	4.3
183.11728	5.5
184.08777	2.8
185.09590	9.3
185.13286	5.1
187.07541	10.5
187.11171	5.8
187.14859	6.0
189.03979	3.6
189.09146	10.2
191.10672	6.6
191.17953	4.8
195.08110	6.5
195.11743	4.3
196.08936	2.6
197.09637	6.5
197.13319	4.2
199.07590	5.9
199.11182	7.9
201.03955	2.9
201.09123	4.7
201.12694	5.4
201.16475	3.0
203.10738	5.6
203.14523	2.9
203.18019	4.2
205.12271	3.8
209.09691	3.0
211.11145	5.8
213.09132	11.2
213.12737	4.0
213.16338	2.5
215.10718	4.5
215.14388	3.9
215.18190	2.5
216.07852	2.9
217.08604	5.3
217.15749	3.0
225.12732	2.9
227.10640	6.5
227.18048	3.3
229.08723	3.8
231.05020	3.5
231.10114	4.8
239.17961	2.8
241.08835	3.4
243.13873	3.7
243.21300	3.0
245.11870	4.3
255.10457	2.4
259.09772	4.0
265.11755	3.2
275.20096	4.7
283.13318	9.0
287.12778	9.2
289.25223	3.0
297.15216	3.1
299.12927	5.2
303.26736	5.0
309.14835	5.9
311.16327	2.8
313.14371	4.9
315.26953	5.1
317.28293	2.8
327.15887	6.0
331.15311	7.5
355.15292	10.0
359.29349	3.4
373.16461	100.0
374.16934	5.2
383.21918	4.3
383.29385	11.8
401.30554	14.3
413.20953	2.8
419.31461	7.8
431.22305	15.6
433.23346	4.3
437.17752	4.5
459.21664	12.2
463.18195	5.2
477.22757	7.5
487.21863	7.0
487.30453	11.0
505.23502	3.4
505.31488	16.8
523.20898	15.2
523.29242	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	523.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64492	11.9
55.01894	13.9
55.05510	28.7
57.03776	11.4
57.07071	19.8
67.05489	32.8
69.03428	40.0
69.07057	54.4
70.42580	10.2
71.04998	20.9
71.08602	12.5
71.59950	14.0
79.05504	28.4
81.03418	33.2
81.07062	100.0
83.08618	23.5
85.02903	49.6
91.05481	24.5
93.07050	38.1
95.04977	24.1
95.08601	80.9
97.02900	15.9
97.06520	27.7
103.18163	10.3
105.07032	36.1
107.08592	50.2
109.02853	10.9
109.10154	42.1
111.08067	23.8
119.08565	31.5
121.10138	37.2
123.08125	12.8
123.10403	10.5
123.11689	34.9
127.03893	17.1
131.08580	15.4
133.10149	16.8
135.11729	19.5
138.35081	11.6
145.10143	21.9
149.13266	23.1
157.10133	18.8
159.11711	19.7
161.13272	16.7
187.14703	23.6
189.16565	19.4
191.10815	11.6
237.14607	12.1
275.19919	13.5
346.99030	10.7
367.07413	12.0
373.16269	14.1
383.29132	13.4
401.30365	31.4
419.31226	12.0
443.68011	11.7
505.31091	22.1
523.33118	20.8
523.42145	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	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01883	11.1
55.05511	24.5
56.96555	6.9
57.03429	4.7
57.07070	10.6
61.02924	2.6
67.05508	39.7
68.99784	6.6
69.03430	37.2
69.07065	36.7
69.37082	16.6
71.04991	4.5
71.08620	2.9
71.63077	2.0
79.05482	22.2
81.03417	20.4
81.07053	89.4
83.04985	7.5
83.08633	15.8
85.02902	25.7
85.06555	16.1
87.00826	14.8
88.83249	1.9
91.05475	19.0
93.07046	35.0
95.04961	16.2
95.08604	100.0
97.02903	17.8
97.06533	15.0
97.10165	10.2
98.21452	3.6
98.97585	5.1
99.04446	3.6
99.08096	3.4
103.03926	3.4
105.01883	5.8
105.07031	27.0
107.04979	7.0
107.08588	41.0
109.02874	9.1
109.06522	13.2
109.10152	52.6
111.04452	5.7
111.08075	15.9
111.11736	7.3
115.03912	10.8
116.98647	3.4
117.01796	2.1
117.07018	8.2
119.08587	23.6
121.06485	4.9
121.10146	26.5
123.04439	6.1
123.08073	8.1
123.11706	36.2
125.09633	7.4
125.13293	3.1
127.03908	14.7
128.06223	2.3
128.98587	2.4
129.01830	3.2
129.05507	2.9
129.07030	6.0
131.08580	12.4
133.10117	14.7
134.99670	2.9
135.08084	7.3
135.11711	21.2
137.05951	5.2
137.09608	8.3
137.13246	22.9
139.07535	2.7
139.11191	2.6
141.07101	2.4
143.08600	10.6
145.10129	18.4
147.08069	5.7
147.11696	11.4
149.09610	6.6
149.13264	21.4
151.07564	4.3
151.11174	2.5
151.14786	2.3
153.09125	8.6
155.08580	2.6
156.09395	3.1
157.10114	6.3
158.99756	1.9
159.02963	4.0
159.11714	8.6
161.09604	5.0
161.13243	11.2
163.07523	3.9
163.11191	4.5
163.14816	11.8
165.09085	10.7
167.10718	2.9
169.10159	2.0
171.11682	9.2
173.09656	5.0
173.13220	9.3
175.07549	2.6
175.11163	2.6
175.14810	6.6
177.00706	4.0
177.09103	3.3
177.12773	3.4
177.16364	11.9
179.10678	2.6
179.14308	1.9
183.11754	2.2
185.13336	5.6
187.11232	3.2
187.14793	4.4
189.03955	4.7
189.09123	2.7
189.12724	2.2
189.16389	3.9
191.10674	5.4
191.17993	3.7
199.11224	2.7
199.14857	4.8
201.03983	4.6
201.12698	2.6
201.16377	3.9
203.17958	5.2
207.10263	3.8
209.11745	3.8
210.48863	1.9
215.17850	2.3
217.12238	3.5
217.19611	2.4
219.17332	2.4
219.20992	2.4
227.12733	2.5
231.04999	4.2
237.02855	7.1
246.75485	2.0
259.17050	2.0
259.24225	2.2
267.16553	1.8
273.25754	3.3
291.26880	2.8
293.10745	3.1
293.14282	5.8
303.26712	9.7
305.28427	3.1
311.15292	4.1
311.27670	1.9
313.12750	2.7
315.26694	3.1
317.28333	3.0
329.28510	4.6
333.28140	3.5
335.15167	2.4
347.29407	4.5
359.29498	5.3
365.28534	3.1
373.08588	2.2
373.16696	3.1
377.30508	3.0
383.29303	13.3
401.30612	18.7
419.31662	7.9
437.18491	19.2
455.19528	6.8
479.19724	5.5
487.30557	10.7
505.31595	10.2
523.20038	2.4
523.32440	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	523.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27700	5.2
53.03943	8.8
55.05509	8.7
56.96562	8.7
67.05494	13.7
67.18992	6.7
69.03393	15.0
71.04974	21.9
71.20382	5.6
71.20720	11.4
79.05477	8.9
81.03397	21.4
81.07053	15.3
82.10592	6.9
83.04963	10.6
85.02886	25.0
85.06533	11.8
88.73579	6.7
91.05469	16.6
93.07028	27.1
95.04908	8.6
95.08594	29.2
97.02914	10.3
97.06491	8.2
105.07032	30.6
107.08575	32.2
109.02875	14.4
109.06511	24.0
109.10136	17.4
111.08080	12.3
117.06982	13.5
119.08570	52.6
121.10141	46.0
123.08051	7.9
123.11707	15.4
127.03907	19.3
131.08580	41.4
133.10138	36.7
135.08047	45.3
135.11658	7.6
137.09624	20.4
142.07759	9.2
143.08546	16.7
145.10075	37.9
147.11707	10.3
149.09544	6.0
157.10117	43.7
158.10863	15.1
159.11713	41.5
163.11156	6.9
169.10072	9.1
171.11742	16.6
173.13272	58.2
175.11183	9.8
175.14803	9.9
177.12744	11.3
183.11678	21.6
185.13306	6.7
187.14751	17.1
191.14320	9.4
197.13283	14.7
199.14835	30.5
201.12715	17.2
213.16316	17.2
215.17902	9.0
239.17944	26.5
257.19022	66.0
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18736	6.8
51.15323	6.7
52.13679	7.1
52.42307	6.7
55.01851	8.2
55.05499	14.2
67.05496	24.8
67.32106	7.4
69.03420	11.8
69.07056	17.9
70.45783	22.4
71.04983	22.7
79.05495	22.3
81.03404	14.8
81.07040	31.8
83.04958	13.3
83.08643	7.4
85.02899	20.9
85.06507	9.6
87.00827	11.9
91.05475	18.1
93.07026	30.4
95.08614	39.0
97.06530	11.3
100.07539	7.8
105.07040	31.4
107.08583	38.2
109.02833	12.3
109.06547	35.0
109.10151	18.5
111.08066	18.6
117.06995	15.1
119.08589	49.3
121.10154	48.5
123.11715	11.6
127.03913	13.7
127.09950	8.2
131.08549	18.2
133.10129	36.4
134.39854	7.9
135.08038	44.2
135.11717	19.2
136.12798	7.6
137.09592	14.1
142.07814	10.2
143.08533	14.2
145.10109	44.0
147.11642	11.8
149.09589	13.3
149.13426	10.0
155.19978	7.7
157.10106	37.4
159.11671	40.1
169.10138	8.9
171.11690	17.0
173.09505	7.9
173.13271	49.6
175.11185	16.4
175.14807	12.9
177.12737	8.6
179.14331	16.4
180.14630	9.7
183.11693	20.1
184.16949	12.0
187.14824	23.0
196.13240	12.0
197.13254	11.3
199.14859	40.5
201.12788	12.7
213.16293	8.0
223.99139	7.4
224.15567	10.0
239.18024	34.3
257.19000	72.0
275.20029	100.0
286.03143	7.6
312.26599	9.5
438.33728	7.1
523.42078	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27834	2.9
53.03942	5.6
54.12658	2.7
55.05508	8.5
56.96548	3.7
57.07084	4.0
61.02892	3.5
67.05504	17.7
68.55255	3.6
69.03432	18.6
69.07068	15.1
69.96584	14.7
71.04988	15.8
73.02905	4.0
79.05490	13.3
81.03413	15.4
81.07061	24.0
83.04983	8.4
83.08620	4.7
84.08162	3.6
85.02905	22.6
85.06550	13.0
87.00830	10.1
91.05468	18.0
93.07043	30.0
95.04977	11.6
95.08599	29.8
97.02876	7.3
97.06545	14.5
99.04468	7.3
105.01917	5.2
105.07034	33.7
107.04932	3.4
107.08601	28.4
109.02877	13.5
109.06525	24.6
109.10149	22.4
111.08083	11.3
117.07011	9.7
119.08577	46.4
121.10144	54.3
123.08102	4.2
123.11715	19.1
125.05956	2.9
127.03938	17.2
128.06213	5.7
129.07018	6.9
130.07832	3.5
131.08560	31.0
133.10129	35.5
135.08046	49.1
135.11693	11.2
137.09642	14.2
142.07721	6.2
143.08531	17.3
144.09373	5.0
145.10130	33.7
147.11714	5.6
149.09618	8.2
155.08572	5.8
156.09373	4.9
157.10139	38.0
158.10899	10.5
159.02921	5.3
159.11700	44.1
160.08817	3.4
161.09636	7.4
161.13286	5.0
163.11230	6.8
168.09364	4.6
169.10138	12.3
171.11702	20.1
173.09612	6.2
173.13272	65.0
174.14043	7.4
175.11220	10.6
175.14835	11.1
177.12737	9.8
181.10097	3.7
183.11703	18.3
184.12473	4.5
187.11174	8.7
187.14772	18.9
189.12781	5.8
191.14325	9.0
197.13326	14.5
199.14838	30.1
201.12759	13.1
210.41922	3.0
211.14723	3.1
213.16356	16.7
215.17975	7.2
217.15738	5.8
219.13712	4.2
239.17958	22.2
257.14981	3.3
257.18997	64.3
275.20071	100.0
373.16443	6.4
378.86893	3.1
469.09933	3.6
523.20490	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
54.52305	1.8
55.01868	3.0
55.05503	4.4
56.96555	5.1
59.33323	2.1
67.05502	16.2
69.03423	8.7
69.07066	7.7
69.64054	14.1
79.05491	11.2
81.03404	9.9
81.07059	18.7
83.04951	2.1
85.02898	7.5
85.06485	2.2
87.00817	1.9
91.05478	11.0
93.07043	10.5
95.04967	6.6
95.08041	3.7
95.08609	46.6
97.02903	4.9
97.06522	24.5
98.97588	3.7
99.04488	2.2
100.07597	2.2
105.07027	18.3
107.04940	5.8
107.08580	6.2
109.02878	4.5
109.04427	2.1
109.06509	2.6
109.10142	5.5
116.98583	4.4
117.07019	8.5
119.08572	6.6
121.10122	4.4
123.08104	2.6
127.03901	7.4
128.06200	6.9
129.06999	6.7
130.07771	2.9
130.67644	1.9
131.08583	7.5
132.78575	2.1
133.10144	2.9
133.31250	2.4
135.08038	3.5
135.11665	2.4
141.06963	5.0
142.07791	5.4
142.81390	2.0
143.08525	11.3
145.04930	2.3
145.06502	2.5
145.10107	15.7
147.04443	3.5
147.11716	3.4
153.06982	5.2
154.07768	7.1
155.08577	9.8
156.09341	4.1
157.10126	6.1
159.08072	4.0
159.11728	6.6
161.06029	3.1
161.09637	2.0
161.13210	2.6
167.08569	5.0
169.10097	18.9
171.08070	5.3
171.11656	7.4
172.08746	2.7
173.09615	13.1
173.13257	2.8
175.07523	2.9
181.10077	4.4
182.15352	2.2
183.08096	8.4
183.11667	4.3
185.09692	9.4
187.07526	3.4
187.11241	9.8
189.09111	2.2
191.10626	2.4
195.11801	3.2
197.09613	33.6
198.10390	6.1
199.11177	13.2
201.09055	3.4
209.09679	6.7
211.07628	3.5
211.11205	3.4
213.09103	3.2
215.10658	26.7
217.12260	3.3
223.11188	11.4
225.09119	8.0
227.10616	11.3
237.02832	2.9
237.12868	4.0
243.10162	100.0
244.10768	3.7
245.11713	6.8
257.18973	5.1
275.20074	5.1
355.15683	3.0
373.16418	17.3
395.19931	2.5
403.22372	3.5
413.21045	8.3
415.22824	2.7
431.22028	5.8
441.20496	8.0
443.22067	3.4
459.21671	24.9
469.20233	2.5
487.21387	11.9
505.22119	9.0
523.20166	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	523.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70515	1.1
53.03938	3.5
55.01876	3.6
55.05513	6.2
57.03423	2.5
57.07069	1.4
65.03952	2.0
67.05514	11.5
69.03420	7.2
69.07071	7.7
69.34303	1.4
70.57927	4.8
71.04988	3.2
77.42978	1.5
79.05485	17.6
81.03423	3.7
81.07058	35.9
83.04967	4.1
83.08619	2.4
85.02896	7.9
86.09676	2.7
87.00834	1.6
91.05483	31.1
93.07041	18.4
95.04950	8.1
95.08608	14.3
97.02898	2.4
97.06528	15.3
98.97624	1.3
99.04462	3.2
103.05441	2.0
105.07028	47.5
107.04962	2.4
107.08583	12.4
109.02895	1.9
109.06525	6.1
109.10130	4.5
111.04426	1.9
115.05419	6.8
116.06297	1.1
117.06225	1.6
117.07027	23.7
119.04964	1.4
119.08574	25.1
120.08086	1.7
121.06509	4.9
121.10133	5.6
123.04461	1.7
123.08057	3.7
123.11698	1.2
127.03899	2.7
128.06230	9.4
129.07002	17.5
130.07809	8.9
131.04936	1.4
131.08560	27.8
133.06480	2.7
133.10153	8.6
135.04364	2.1
135.08063	5.4
135.11662	2.0
137.05937	2.3
137.09583	2.8
141.06956	8.5
142.07776	11.8
143.08557	34.1
143.33736	1.4
144.09280	3.0
145.04956	1.7
145.06462	5.3
145.10123	100.0
146.10847	1.5
147.04385	1.8
147.08069	6.5
147.11681	14.0
149.05963	1.7
149.09607	4.2
149.13275	1.8
151.07535	2.4
152.06149	1.5
153.06981	4.7
154.07808	6.5
155.08569	16.2
156.09369	6.3
157.06410	2.4
157.10123	21.6
158.07257	8.1
159.08089	9.9
159.11668	12.4
161.05954	2.0
161.09618	5.8
161.13284	1.8
163.07567	2.1
163.11223	1.8
165.06992	6.1
165.09100	2.4
165.12889	1.5
166.07800	3.0
167.08562	6.4
168.09323	4.4
169.06465	1.9
169.10118	21.5
170.10815	2.1
171.08112	9.5
171.11690	25.9
172.08812	4.7
173.05949	1.6
173.09627	39.3
173.11168	1.9
173.13217	7.1
175.07559	4.3
175.11151	5.0
177.09169	2.9
178.07857	2.3
179.08539	7.4
180.09279	4.5
181.06468	2.5
181.10097	12.8
182.07265	4.6
182.10854	3.5
183.08083	5.7
183.11703	14.6
184.08807	2.8
185.09619	6.6
185.13298	5.3
186.10504	2.1
187.07532	1.9
187.11095	7.5
187.14935	2.3
189.09171	2.3
189.12679	1.8
191.08723	2.6
191.10657	11.1
192.09407	2.4
193.10094	6.9
194.10867	2.9
195.08066	4.9
195.11694	9.3
196.08867	1.4
196.22765	1.3
197.09628	23.0
197.13194	6.1
198.10336	2.3
199.07552	2.7
199.11189	15.7
199.14893	2.6
201.09122	3.6
201.12778	5.0
203.08727	1.6
203.10605	2.7
204.09273	1.9
205.10252	2.8
206.10956	2.0
207.11736	5.8
209.09737	6.5
209.13245	5.5
210.10345	2.1
211.11214	3.9
213.09090	3.6
213.12712	2.7
215.10696	13.0
216.09406	2.4
216.11273	1.4
217.10208	2.3
217.12175	13.8
219.08119	1.7
219.11705	5.1
219.13904	3.7
221.09592	3.8
221.13229	4.5
223.11226	9.2
223.14752	2.5
225.09120	7.9
225.12560	6.6
227.10670	4.0
227.14253	1.8
228.07799	1.9
229.08319	1.7
229.12152	2.3
231.11775	2.2
232.12540	1.5
233.09752	1.6
233.13353	2.4
235.11247	2.6
235.14751	1.9
237.12683	3.5
237.16306	1.9
239.14336	2.6
241.08511	3.1
241.12195	3.0
243.10107	28.8
243.13857	2.5
244.12598	1.8
245.11548	3.0
245.13646	1.9
247.14949	1.9
249.09074	1.9
249.12798	2.9
251.10696	2.2
255.13959	1.4
256.12454	1.3
257.13367	2.2
257.19009	5.2
258.14047	1.6
259.14865	3.2
261.11145	39.1
261.15414	1.5
263.14307	3.0
265.15692	1.5
267.10083	2.6
269.11826	4.4
273.12881	1.7
273.16284	2.7
275.14368	1.9
277.15894	3.2
281.15378	1.8
285.16083	1.7
287.12634	8.4
289.14261	1.5
295.13168	2.3
298.13977	1.7
299.17627	1.7
301.14746	2.2
301.19601	2.0
303.17252	1.8
305.15491	1.6
307.17151	1.6
311.17786	2.1
313.10599	7.1
313.14059	1.5
315.12228	5.7
317.18906	1.6
327.17032	1.6
329.18954	4.1
333.14227	1.6
343.20346	3.2
344.21393	3.6
345.22122	4.3
351.16183	2.4
355.15485	2.0
355.20557	1.6
361.21985	1.7
367.20386	2.7
369.22150	2.6
371.20074	2.6
372.20618	1.7
373.16534	15.2
385.21826	2.3
389.20978	3.1
391.18878	3.4
395.20139	3.0
397.16464	8.1
397.21466	3.3
411.18207	2.8
413.21133	8.8
415.22891	6.7
418.21326	4.1
419.22137	1.8
423.19614	1.7
431.22171	24.5
433.18195	2.4
433.23770	42.7
435.25485	2.6
441.20340	7.4
443.22256	3.5
449.23318	3.6
459.21603	20.2
461.23157	14.7
477.16241	1.7
477.22787	31.0
479.24268	50.6
487.21420	6.3
505.22217	13.4
523.23340	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
56.05025	1.0
56.27122	0.3
57.03434	0.6
57.07068	0.8
58.06605	1.0
60.08160	16.5
67.05503	1.2
69.07067	2.8
70.06586	0.5
71.05023	0.5
71.05367	0.7
71.07371	6.9
79.05459	0.4
81.07057	1.5
83.08610	1.5
86.09702	51.6
86.61758	0.3
93.07036	0.9
95.08582	1.7
97.10155	1.0
98.98470	4.3
104.10738	100.0
105.11118	0.5
105.73677	0.3
109.10146	0.5
111.11772	0.3
125.00001	28.8
143.01025	0.6
154.94150	0.5
163.01529	0.7
166.02811	0.4
172.95216	1.5
184.07330	97.6
185.07742	0.4
190.96236	1.6
228.97881	0.8
246.98918	0.5
258.10965	1.3
291.62173	0.4
339.28693	0.7
356.30759	0.3
504.34442	7.8
522.35541	27.5
523.23376	0.8
523.36011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01839	1.9
59.72598	1.6
61.71712	1.5
63.08970	1.6
63.13126	1.6
67.05510	3.1
67.86260	1.5
69.03434	4.0
69.37630	15.4
75.10667	1.6
79.05486	6.3
81.03430	1.7
81.07033	8.6
85.02849	1.6
91.05496	9.4
93.07021	7.6
95.04961	3.1
95.08666	1.7
103.05441	2.6
105.07032	12.5
107.04958	14.3
107.08604	4.5
108.05276	2.1
109.02846	1.8
115.05466	2.4
117.07005	3.4
119.08553	3.5
127.03894	3.2
128.06192	2.8
128.28998	1.4
129.06993	7.3
130.07764	1.9
131.04916	5.1
131.08557	7.0
133.06422	1.6
133.10152	1.9
135.07996	2.2
137.05986	4.4
137.27562	1.9
141.07027	1.6
142.07729	2.2
143.08578	9.4
144.05678	2.2
145.06442	2.6
145.10117	22.0
147.08054	2.6
147.11667	5.7
151.03897	2.7
153.06966	1.7
155.08524	3.8
157.06531	2.2
157.10153	4.9
158.07265	4.2
159.08052	2.4
161.05940	2.3
163.07541	3.2
167.08591	3.1
168.09340	2.0
169.06462	3.7
169.10158	7.2
170.06870	2.3
171.08058	4.9
171.11691	13.4
172.08795	2.8
173.09613	6.8
175.11142	1.9
175.93907	1.8
179.08539	2.4
181.10223	4.1
183.08020	2.4
183.11728	2.7
185.09476	1.7
187.11214	2.4
189.05394	2.6
191.10678	2.1
195.11606	2.8
197.05977	13.2
197.09618	5.7
198.06316	12.3
199.06622	6.7
199.11165	5.0
209.13182	2.6
215.06935	4.1
215.10719	3.1
216.07385	2.6
217.10303	2.7
217.12172	9.6
219.11679	2.9
223.11102	3.1
225.12691	2.5
235.14735	2.4
237.12686	2.7
238.96237	2.1
243.06493	4.0
243.10117	5.6
244.06851	3.4
245.07100	1.8
245.11667	4.0
249.12714	1.7
259.11270	1.7
261.11139	21.8
261.16455	1.9
263.14532	2.0
265.87753	1.8
267.10287	1.9
280.25806	1.8
285.11237	3.1
289.15775	2.3
343.20551	3.4
357.22067	2.3
367.20337	1.9
370.10080	3.3
371.10178	6.2
375.15781	2.6
385.21652	4.4
389.21259	3.9
392.08972	2.2
403.22507	6.3
413.21078	5.0
415.23029	2.2
421.23492	2.0
431.22150	30.2
433.23898	4.1
449.23065	11.3
451.24176	2.2
459.21762	7.8
477.22726	100.0
478.22903	2.8
505.22079	3.7
523.14758	6.4
523.22717	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	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	1.6
56.05022	1.2
57.03431	0.6
57.07071	0.8
58.06595	1.8
60.08162	16.4
67.05500	1.3
69.07072	2.2
70.20065	2.1
71.07368	6.0
81.07051	0.9
83.08610	1.6
86.09704	50.6
90.02239	0.4
93.07045	1.3
95.08611	1.0
97.10164	0.6
98.98473	3.7
104.10741	100.0
110.04928	0.4
110.54822	0.4
125.00002	28.1
143.00995	0.5
154.93037	0.4
163.01570	0.6
167.27931	0.4
172.95200	0.7
184.07338	98.9
258.11002	1.3
302.71353	0.5
336.87097	0.4
339.29016	1.8
504.34436	8.3
522.35535	29.5
523.35760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79980	0.2
52.43635	0.2
53.94850	0.2
55.05505	0.3
56.05033	0.5
57.07056	0.2
58.06622	0.5
60.08160	6.4
67.05517	0.2
69.07057	0.4
69.51617	0.4
69.52020	1.3
71.07362	3.0
83.08604	0.4
86.09698	30.0
92.90811	0.2
98.98454	3.1
104.10736	2.9
124.99993	20.5
129.09866	0.2
143.01033	0.3
154.94218	0.2
172.95215	0.4
184.07326	100.0
185.07672	0.7
190.96307	0.2
258.10962	0.3
283.06494	0.2
504.34546	1.1
522.35498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01870	2.7
55.05506	9.6
57.03434	5.1
58.32673	2.4
58.99577	2.9
63.56447	2.3
65.00165	2.2
67.05509	13.5
69.03426	18.8
69.07071	20.5
71.04995	5.2
71.60284	5.3
79.05516	13.2
81.03401	8.6
81.07060	29.6
83.08607	10.2
85.02905	30.6
85.06538	7.2
86.99050	2.6
87.00872	3.2
87.04462	11.4
91.05463	12.1
93.07052	20.5
95.04972	4.7
95.08608	33.8
97.02885	17.3
97.06540	14.2
99.04446	4.5
101.01973	2.5
105.07039	25.9
107.08593	28.9
108.08920	4.0
109.02866	4.5
109.10157	18.8
110.92624	2.9
111.08130	2.9
115.03939	12.9
116.01713	4.9
116.98609	3.1
119.08591	24.8
121.10158	25.2
123.11727	6.3
127.03904	9.4
127.11202	3.0
131.08582	5.9
133.04965	9.9
133.10144	19.2
135.11707	20.1
144.01099	4.8
145.04916	3.8
145.10139	8.5
147.11690	10.0
149.13242	10.2
153.12747	9.2
157.10138	2.9
161.13272	8.1
162.02188	10.4
169.09885	2.5
175.14830	100.0
177.16396	98.3
187.11224	3.8
193.15854	8.9
196.64545	2.8
197.15366	4.1
199.14799	5.4
203.17947	7.5
221.18970	6.8
221.21111	2.6
239.16420	5.2
239.20155	4.0
275.19977	3.5
367.90158	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11543	4.7
53.03939	17.0
55.01870	7.7
56.96575	7.3
63.41405	4.5
67.01869	5.3
67.05502	14.2
69.03426	21.6
69.07065	12.5
71.04990	21.6
71.60131	10.7
73.02925	6.3
78.46791	4.1
79.05499	20.5
81.03420	25.5
81.07052	100.0
85.02904	36.8
86.09704	5.8
87.00830	13.0
88.66069	4.8
91.05487	22.1
93.07053	27.2
95.08587	28.4
97.02900	25.8
99.04452	11.3
99.08092	11.6
101.07265	4.4
105.01878	19.4
105.07040	55.6
107.04945	81.7
107.08608	55.0
108.05286	10.9
109.02875	36.4
109.10169	34.3
115.05479	6.8
116.22362	4.6
117.07017	14.9
119.01889	10.0
119.08586	72.0
121.06472	5.9
121.10143	10.8
123.11693	12.1
127.03917	44.7
127.11215	18.5
128.06204	9.5
129.00818	5.9
129.01801	5.1
129.06978	16.0
131.01936	5.7
131.04930	15.8
131.08574	18.7
132.05251	6.8
133.10133	37.5
135.11700	84.1
136.07672	4.2
137.06021	27.3
138.06325	7.0
141.07011	10.0
143.08563	32.8
143.10732	6.5
144.05690	16.2
145.04982	7.8
145.06172	11.2
145.10132	18.5
147.11684	16.8
151.03827	7.1
153.07022	5.0
153.12660	8.3
155.01924	7.8
155.08496	6.3
156.09309	5.9
159.02948	10.2
161.02959	5.1
161.05942	10.9
161.13272	12.9
163.07487	7.0
166.07796	5.5
169.06505	17.9
169.10182	4.9
170.06863	13.0
171.04521	5.7
171.11670	58.7
173.06012	15.6
173.13228	13.6
174.06293	11.6
181.10124	9.9
187.07602	5.9
189.05550	13.1
190.05870	10.6
197.05986	95.2
198.06314	77.4
199.11191	26.4
201.12811	7.9
203.17949	47.9
215.07135	15.3
216.07422	19.9
217.12238	43.9
221.05125	10.2
221.18976	40.6
243.06595	21.4
244.06879	27.6
245.11813	14.3
261.07724	7.0
293.12317	5.9
295.13876	5.7
303.10782	7.7
321.11871	14.0
345.11859	7.6
363.12836	8.1
363.72983	5.4
369.09726	8.5
370.09912	28.1
392.09512	22.7
408.23059	5.9
447.14740	15.8
448.15381	6.4
476.14279	5.2
502.17831	5.1
522.14294	30.0
536.91016	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	522.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01862	0.6
55.05515	11.2
57.03436	7.1
57.07059	1.6
60.04515	0.9
65.03938	1.0
67.05508	25.5
67.54996	0.4
67.86655	0.4
69.07068	16.7
71.04982	0.7
71.08618	0.5
71.60507	0.7
73.64425	0.5
79.05496	7.2
81.07057	24.8
82.07378	0.5
83.04962	0.7
83.08629	7.7
85.06538	0.8
88.03989	7.1
91.05485	4.9
93.07039	7.3
95.04961	0.9
95.08604	20.5
97.06529	1.7
97.10168	3.8
98.98463	4.0
99.08119	0.5
105.07019	2.8
106.04999	1.4
107.08602	3.7
109.06563	0.5
109.10154	7.6
111.08055	0.9
119.08584	2.9
121.10124	3.2
122.00010	0.4
123.08070	0.7
123.11689	2.6
133.10156	2.7
135.11720	1.9
137.13173	0.7
147.11699	2.4
149.13313	0.8
155.01070	1.3
161.13266	1.5
163.14751	0.6
173.02109	0.8
175.14848	0.7
198.97374	1.0
212.99518	0.5
245.22760	1.1
263.23691	2.3
263.44547	0.5
286.56842	0.5
337.27365	100.0
338.27740	2.6
350.26852	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50727	2.9
53.03931	4.9
54.79388	2.9
55.01863	5.8
55.05498	14.2
55.90530	3.5
57.03432	5.4
58.99575	3.0
63.09394	2.9
67.05502	21.1
69.03414	24.2
69.07075	14.9
71.04990	6.7
71.29764	4.9
71.30109	6.5
76.02259	4.2
79.05485	18.1
81.03409	11.7
81.07052	73.7
83.04974	7.7
83.08617	22.7
85.02899	38.8
85.06541	100.0
86.09702	9.1
86.71812	3.3
86.99036	3.0
87.00826	18.1
91.05463	8.6
93.07043	46.9
95.04944	11.2
95.08604	40.0
97.02869	12.3
97.06524	19.2
97.10167	5.1
98.97668	3.5
99.04426	6.0
99.08081	14.7
105.01857	10.3
105.07032	33.8
107.08591	29.7
109.02854	8.8
109.06487	11.3
109.10144	11.5
111.08079	14.5
116.01663	17.4
117.07066	4.6
119.08572	35.6
121.06533	7.3
121.10163	21.8
123.08043	4.5
123.11703	34.9
125.05972	7.8
127.03936	21.3
129.05461	7.4
131.08571	4.4
133.10124	13.3
135.08031	3.6
135.11668	8.8
139.07526	43.3
144.01123	4.4
145.04964	5.6
147.11682	5.5
151.07491	3.8
155.06979	4.3
157.08603	69.8
159.02905	5.7
159.11702	6.9
161.13261	58.2
162.02188	25.4
175.14804	7.1
177.16359	18.7
179.14282	12.6
185.13240	4.6
187.09462	2.9
191.29619	3.3
193.15872	4.9
197.15392	12.1
203.14365	18.7
217.60645	3.6
221.15364	53.1
225.81720	3.9
230.96980	3.2
239.16423	25.3
257.17493	86.2
264.41202	3.2
273.15115	7.5
347.09396	4.8
358.16663	4.1
376.18039	5.1
393.20221	7.3
401.01886	3.2
492.26660	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	522.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
61.02917	0.9
69.03423	1.6
70.06605	0.5
71.33057	0.7
74.74743	0.6
79.05503	0.4
81.03458	0.5
82.60158	0.4
85.02906	6.9
85.88605	0.4
89.03923	3.4
97.02878	2.5
107.04955	1.7
109.02881	0.7
117.03366	4.8
117.71663	0.3
127.03922	2.1
129.10286	0.4
130.57457	0.4
135.03384	0.8
135.04414	14.5
139.03912	0.6
145.02844	11.1
145.04869	2.5
163.03906	100.0
164.04172	0.7
169.32312	0.4
173.02148	0.5
180.08717	0.4
181.04959	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	522.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01859	1.7
55.05514	8.1
57.03431	1.3
57.07068	1.0
57.98810	1.2
57.99373	0.8
58.99584	20.0
59.51743	0.7
61.01139	1.7
62.13801	0.6
67.05502	9.8
67.85847	0.7
69.03420	1.3
69.07074	7.3
69.16565	0.9
69.33245	1.4
69.33645	6.8
70.06573	2.0
71.04984	4.2
72.08150	2.1
73.01133	2.2
74.00652	1.4
76.02231	12.4
76.04012	4.2
79.05501	4.6
80.05006	0.9
81.03398	1.1
81.07055	20.1
82.07375	0.9
83.04961	2.3
83.06100	2.8
83.08611	5.7
84.04498	8.7
85.01131	0.8
85.02905	1.9
85.06553	5.2
86.09706	6.0
86.99055	11.8
87.02679	1.9
87.04452	0.8
88.02205	4.9
91.05480	6.0
93.07040	8.0
95.04963	1.4
95.08604	25.7
97.06525	6.8
97.10162	1.9
98.20740	1.1
99.02671	1.4
99.04417	1.6
99.05560	2.2
99.08086	2.0
100.11259	1.2
101.04230	1.0
105.07025	10.7
107.04912	0.7
107.08587	4.9
109.06562	1.7
109.10160	2.9
109.20068	0.7
111.02662	1.9
111.04456	0.8
111.08095	1.7
113.04179	1.3
116.01672	57.5
119.08582	12.3
120.08103	1.9
121.10139	3.2
123.08047	1.9
125.04195	1.8
129.06596	4.3
130.04979	3.4
131.08582	1.1
133.10123	10.4
135.11682	6.0
137.05992	4.6
137.09636	1.2
137.13245	5.8
142.03244	7.1
144.01132	27.9
145.06039	1.9
147.11673	0.9
149.13258	1.9
159.11679	1.0
161.05975	1.1
161.11967	1.5
161.13260	25.7
162.02197	100.0
170.02719	1.9
179.04823	3.1
179.07098	1.2
179.14301	16.4
180.03316	0.8
197.15356	22.6
215.16396	4.6
229.12584	1.3
237.13077	1.6
239.12811	3.2
245.05859	2.5
255.14125	5.7
272.16772	3.6
273.15137	24.5
290.17908	2.4
296.16452	0.8
300.16306	2.4
333.73495	1.1
340.15726	3.4
351.24207	2.5
351.74588	8.2
352.24301	7.3
358.16794	9.1
375.18488	0.9
376.17896	16.1
393.20514	31.0
401.20981	1.4
429.20386	0.9
447.21637	13.4
471.56863	0.8
504.23895	1.8
505.21597	1.2
522.24854	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	522.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01864	0.5
57.03423	1.2
61.02914	1.8
69.03436	3.4
70.98917	0.8
70.99234	0.7
71.05003	0.7
71.40337	0.5
72.89088	0.4
73.02913	0.8
79.05482	0.5
81.03417	2.0
85.02902	16.4
87.04446	0.5
89.03922	2.2
90.28398	0.5
96.73185	0.6
97.02882	4.5
99.04437	0.6
100.11250	0.6
107.04950	1.8
109.02855	1.6
117.03388	4.5
120.31804	0.5
127.03913	4.4
129.10312	0.6
134.58667	0.5
135.04414	12.6
145.02843	10.5
145.04919	5.2
152.44820	0.5
163.03902	100.0
164.04221	0.5
180.08690	0.7
181.04951	53.6
217.28073	0.5
268.14218	0.5
283.93430	0.5
343.10419	0.6
344.05014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01860	2.7
55.05508	9.2
57.03425	2.4
57.07076	23.0
61.59940	1.0
65.03915	1.4
67.05502	20.2
69.07064	12.3
71.04996	1.7
71.08628	15.8
71.60147	1.7
79.05494	18.3
79.05923	0.9
81.03414	3.8
81.07059	23.7
83.04978	3.4
83.08620	12.6
85.06548	1.2
85.10179	8.8
91.05457	7.4
93.07040	25.4
95.04955	4.5
95.08599	37.8
97.02909	4.0
97.06552	2.9
97.10172	4.9
97.50381	1.0
99.04443	2.0
103.53463	1.1
105.07027	8.2
107.04945	5.5
107.08584	23.2
109.06484	1.6
109.10168	8.6
111.11729	1.8
117.07010	6.8
119.08581	7.5
121.06517	4.2
121.10133	8.8
123.11724	3.1
125.06004	2.4
133.10132	2.1
135.08080	1.5
135.11691	33.0
139.07550	1.8
143.08539	1.6
145.10123	21.2
163.11176	48.8
181.12228	12.9
193.12279	2.3
203.90779	1.1
209.11618	1.5
209.67184	1.6
227.12772	100.0
228.13145	1.8
239.23703	3.4
521.38367	57.5
522.38434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05035	0.6
57.03430	0.1
57.23077	0.1
58.06629	0.4
59.07399	0.2
60.08163	6.5
64.38726	0.1
67.05497	0.5
69.07059	0.3
70.06579	0.2
71.07372	3.0
71.42796	0.1
77.90420	0.1
79.05491	0.2
80.97440	0.1
81.07052	0.7
81.44620	0.1
83.08624	0.2
86.09704	32.1
87.10059	0.1
91.05485	0.2
93.07045	0.1
95.08614	0.3
97.06531	0.1
98.98463	3.2
104.10043	0.2
104.10740	3.1
105.07020	0.2
107.08567	0.1
109.10152	0.1
119.01854	0.1
125.00000	22.3
133.10081	0.1
143.01038	0.4
163.01627	0.1
166.02609	0.1
184.07335	100.0
185.07672	0.3
255.42566	0.1
258.10950	0.2
261.32248	0.1
337.27252	0.2
502.32928	1.0
520.33990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75946	0.8
69.03411	0.9
70.06576	1.8
71.58707	0.7
72.08149	1.1
84.04478	0.9
84.08141	1.1
85.02912	1.3
86.09729	0.8
102.04657	0.9
103.05463	55.1
104.12981	0.9
105.07011	3.2
107.04914	0.8
119.04959	1.3
131.04924	100.0
132.05350	0.9
133.06505	3.5
137.05981	5.4
147.04420	1.1
149.29588	0.7
161.05960	9.8
163.03897	1.8
163.07547	31.2
166.59369	0.8
175.07549	0.8
179.06999	0.9
187.07513	1.7
188.31891	0.8
223.23297	0.8
279.09955	1.0
306.09796	0.9
311.12589	1.0
521.14801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
55.05524	3.1
67.05499	11.3
69.03427	9.6
69.07047	6.1
71.04993	14.8
71.60043	2.8
71.60455	4.6
79.05477	6.7
81.03410	9.0
81.07058	11.1
83.05000	3.7
84.04485	3.3
85.02923	14.4
85.06535	4.2
86.09708	3.2
87.00858	4.0
91.05473	9.2
93.07047	10.2
95.08595	11.8
97.02890	10.2
97.06530	13.9
105.01878	3.9
105.07025	15.3
107.04946	7.7
107.08592	17.6
109.02856	5.8
109.06489	5.9
109.10151	5.0
111.08102	5.9
115.03922	12.3
115.05492	3.7
119.08617	7.0
121.10117	28.4
123.08030	7.0
127.03924	9.6
131.04927	3.9
131.08537	7.9
133.04984	12.7
133.10130	72.0
133.11087	5.8
135.08064	11.3
143.08543	3.7
145.05049	2.9
145.10130	4.0
147.11716	13.3
149.13272	15.8
151.11137	3.3
157.62436	2.8
158.10944	3.4
169.06551	7.8
173.13272	19.3
189.05405	3.1
191.14297	100.0
197.05956	15.5
198.48164	3.4
209.15399	3.1
215.07025	7.6
219.13806	5.7
243.06624	4.1
292.72708	3.7
295.10211	8.4
306.85519	3.0
369.09561	4.3
373.17975	6.5
449.54660	3.4
469.35086	3.2
495.72131	2.9
521.14178	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.05035	1.5
58.06604	1.8
60.07874	1.1
60.08163	16.9
67.05505	3.8
69.07057	0.9
69.61340	2.2
69.61769	2.3
71.04976	0.5
71.07376	7.2
74.21188	0.6
77.03236	0.5
77.26152	0.7
79.05508	0.7
81.07041	3.1
86.09705	51.3
95.08621	1.9
98.20715	0.8
98.98475	4.3
104.10741	100.0
107.08585	0.7
109.10142	0.7
124.99999	29.7
166.27814	0.6
184.07338	95.6
185.07719	0.9
258.11124	1.2
300.75940	0.6
337.27463	1.0
502.32889	7.7
503.33197	0.7
520.33972	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	520.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
54.55399	0.5
55.05518	7.5
57.03435	7.1
57.07069	0.6
60.04521	1.0
65.03940	0.8
67.05503	32.3
67.23931	0.5
69.06723	0.6
69.07066	6.7
69.57290	2.0
69.57700	2.1
71.04984	0.6
73.73967	0.5
79.05490	17.0
81.07052	28.6
83.04956	1.1
83.08611	2.7
88.03990	6.4
88.81576	0.6
91.05478	8.1
93.07037	16.9
93.07623	0.8
95.04957	2.4
95.08603	21.6
97.06532	1.3
97.10173	1.1
98.98471	4.8
105.07024	4.7
106.05017	1.7
107.08599	7.1
109.06493	1.2
109.10157	7.7
109.89800	0.6
117.06996	1.2
119.08568	4.6
121.10149	5.2
123.11703	1.5
131.08582	2.7
133.10118	2.1
135.11682	3.3
145.10129	1.0
147.11641	1.4
149.13170	0.8
155.01068	0.6
159.11623	0.8
161.13237	1.5
163.14763	0.7
173.02052	1.4
173.13229	1.1
198.97388	0.9
222.75703	0.5
247.43532	0.5
261.22073	1.3
335.25781	100.0
336.26089	1.4
348.25351	2.4
349.16483	0.6
376.67697	0.5
401.53015	0.6
499.98874	0.6
505.45938	0.6
520.24048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80533	1.8
53.03939	2.8
55.01862	3.1
55.05502	4.0
56.05040	2.2
58.99585	25.5
61.01146	1.8
63.98933	1.6
65.03936	3.9
67.05501	24.8
69.03407	5.3
69.07050	7.2
70.02941	4.4
70.06583	5.7
71.04988	32.5
71.15562	2.1
71.15895	3.8
73.01134	2.7
75.23973	1.7
76.02225	19.5
76.03986	4.7
78.96392	1.6
79.05492	25.8
80.97970	1.8
81.03410	3.4
81.07051	43.1
83.04979	6.3
83.06095	5.6
83.08615	3.9
84.04498	16.6
84.08150	2.7
85.01114	5.2
85.02879	7.9
85.06527	5.8
86.09695	6.7
86.53918	1.9
86.99036	13.9
87.02695	12.2
87.04467	2.6
88.02206	3.5
91.05471	19.6
93.07040	29.7
95.04957	5.1
95.08608	18.0
97.01105	7.6
97.02901	3.3
97.06524	17.7
98.97606	2.2
99.02664	4.2
99.04450	2.4
99.05555	4.6
99.08063	2.6
101.04269	2.7
105.07024	11.9
107.08583	12.5
109.02829	1.8
109.06498	4.2
109.10136	4.3
111.02604	2.4
111.08046	4.9
113.04210	6.4
116.01671	67.4
116.02481	4.2
117.07007	10.2
119.08547	8.2
121.06470	2.8
121.10120	6.4
123.08029	2.9
123.11723	2.3
125.04211	2.3
127.03887	4.1
129.06648	6.8
130.04971	5.0
131.08565	14.4
133.10126	18.3
135.08040	6.3
135.11682	14.7
137.06042	3.4
142.03215	7.9
144.01147	28.7
145.06064	19.0
145.10118	3.5
147.11652	6.8
149.09549	2.7
149.13266	9.2
151.11200	2.9
157.10063	5.8
159.11664	17.2
162.02202	100.0
165.07411	3.0
165.12733	4.5
167.05396	2.0
168.43211	1.8
175.11185	5.1
177.12764	19.8
179.04916	5.1
181.10350	2.4
184.07298	4.2
187.10789	2.0
191.08928	3.4
193.12308	2.3
195.13809	29.7
209.09926	6.3
213.14951	8.7
219.13629	2.0
225.09464	5.1
227.10977	27.0
237.14816	3.0
245.05914	4.0
245.12000	6.0
252.14122	2.2
270.15250	8.2
271.13623	27.0
288.16290	14.8
298.14618	9.1
301.06375	2.0
308.09329	2.0
356.15317	12.9
373.17917	11.3
374.16315	40.0
391.18930	47.4
395.34378	2.0
399.19424	2.5
445.20123	18.0
502.22113	4.5
520.24341	36.7
520.32263	1.8
521.13818	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05509	2.8
56.05040	4.2
57.98805	0.9
58.86409	0.8
58.99320	1.2
58.99589	13.9
67.05504	12.3
68.05032	0.9
69.03426	1.3
69.07070	2.9
70.06566	0.8
70.63872	2.5
72.58397	0.8
73.01158	0.9
74.00665	1.3
76.02230	30.6
76.04015	2.4
79.05494	8.1
80.05029	1.4
81.03416	1.2
81.05780	0.9
81.07056	16.5
82.06561	1.9
83.05027	1.0
83.06099	2.8
83.08621	3.2
84.04500	10.2
85.01138	1.9
85.02900	2.6
85.06548	2.4
86.00668	8.7
86.99058	5.9
87.02699	2.8
88.02222	3.1
91.05479	7.6
91.96324	0.7
93.07043	12.0
93.65800	0.8
94.06561	2.2
95.04987	1.7
95.08599	6.8
96.08138	1.3
97.01115	7.3
97.02856	1.1
97.06533	3.1
99.02673	2.1
99.04491	1.6
99.05592	0.8
99.08089	0.9
101.00690	0.8
102.05553	3.2
105.07018	4.0
107.04967	1.8
107.08598	6.8
109.06543	1.6
109.10158	2.3
111.02689	6.6
111.08073	2.7
112.02210	0.8
112.03966	1.0
114.03757	2.6
116.01682	23.7
117.07021	2.3
119.08588	3.2
120.08055	0.8
121.06554	0.9
121.10153	4.1
123.02686	1.3
123.08049	1.0
123.11654	0.9
125.04244	0.9
129.06596	4.5
130.05032	5.0
131.08549	3.8
133.10144	6.8
135.08066	1.1
135.11699	3.2
137.04195	2.5
139.05881	0.9
142.03189	4.4
142.04926	0.8
143.02744	1.8
144.01144	9.6
145.06041	1.8
145.10107	1.4
147.11710	2.0
149.09700	0.9
149.13263	7.1
151.05779	1.1
151.11180	3.2
153.06619	1.9
157.10153	0.9
159.11684	5.1
162.02205	19.4
165.07358	1.1
170.02692	1.5
173.13348	1.8
177.12723	4.7
179.04858	16.5
181.06139	0.8
183.08427	1.1
187.05492	1.1
189.03276	2.2
191.72418	0.8
194.15385	1.9
194.42029	0.8
195.13835	8.3
207.12024	1.5
209.13519	1.0
209.15294	1.7
212.16475	5.5
213.14915	2.5
215.04935	0.8
218.15501	1.6
219.13911	1.1
224.16478	2.3
225.13051	1.0
226.12701	2.4
233.05930	2.0
235.11499	1.3
236.16415	1.1
237.14880	0.9
244.13589	1.4
245.05865	1.6
252.14131	10.0
253.12550	2.6
270.14902	17.4
270.17642	2.3
271.13513	1.1
272.06424	1.9
288.16263	18.1
298.14816	1.4
308.09100	2.4
312.12738	2.5
324.18057	1.1
327.17395	1.6
355.16873	3.0
356.15375	1.3
358.09909	1.0
373.17926	100.0
374.18478	1.7
391.18896	3.1
399.18954	1.1
415.16437	1.3
427.18848	1.8
434.20795	0.8
445.20053	6.3
500.21393	0.9
502.22073	2.7
503.20154	1.1
520.23230	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	520.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.30758	0.6
55.01867	1.0
57.03433	3.1
61.02922	1.8
66.69524	0.5
68.05038	0.7
69.03431	7.7
70.06597	4.2
70.76165	1.8
71.04980	2.3
73.02914	5.5
74.06072	0.7
76.03141	0.6
77.03920	0.8
81.03416	5.5
84.04490	1.5
84.08144	1.7
85.02901	5.5
86.06062	2.2
86.09724	3.1
86.65294	0.5
87.00801	0.8
87.04463	0.8
88.03973	0.8
92.05022	0.6
94.06562	1.3
95.04980	0.8
97.02925	2.9
99.04475	5.7
104.99294	0.7
105.03347	1.0
106.06559	1.0
109.02869	1.0
115.03923	1.4
116.98633	0.7
117.05480	4.2
118.06565	5.2
119.03421	1.3
120.04475	16.3
122.06034	5.5
127.03880	1.3
129.10226	0.9
130.06551	1.6
132.04460	39.3
134.06020	6.3
136.07587	1.1
137.05008	0.6
137.05975	2.7
138.04572	0.6
138.05455	3.1
144.08051	1.6
146.06006	4.8
150.05508	29.5
151.05783	0.8
154.06529	0.9
157.91435	0.7
158.06032	1.2
159.02943	0.7
162.05510	0.8
164.07066	0.9
170.05972	1.0
172.07542	6.4
176.07216	0.6
190.08664	1.3
200.07074	5.4
218.08144	14.8
236.09155	3.9
245.14894	1.1
254.10226	8.2
257.07062	1.0
264.41135	0.6
272.11298	100.0
273.11658	1.9
301.87494	0.7
363.78250	0.7
407.20215	1.7
546.82770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
56.96552	0.5
62.79016	0.4
64.05545	0.4
67.05508	0.6
69.03441	1.3
69.07058	0.7
70.06578	0.7
70.28191	1.4
70.56274	0.4
71.04992	0.4
71.99142	0.4
79.05514	0.7
80.14693	0.4
81.03408	0.8
81.07056	1.3
83.05000	0.7
85.02903	2.1
86.09696	0.7
91.05458	0.6
93.07064	1.1
93.79140	0.4
95.05008	0.7
95.08603	0.6
97.02895	1.1
97.06543	0.9
98.97570	0.6
105.07024	0.8
107.08593	0.7
109.02927	0.7
109.06543	0.9
109.07313	0.4
109.10159	0.4
111.08085	1.0
115.03906	0.5
116.98624	0.4
119.08591	0.8
121.06519	0.4
121.10130	0.9
123.08091	0.4
123.11787	0.4
127.03915	1.8
131.08572	1.0
133.04977	0.5
133.10139	0.6
137.06012	0.8
137.09608	0.9
143.07021	0.6
147.11693	1.0
149.01244	0.6
151.11310	0.5
161.13287	0.4
165.12766	2.0
189.12810	0.5
193.12354	0.5
200.78773	0.4
207.13884	1.7
211.13304	0.6
217.12248	0.5
235.13327	0.6
243.08913	1.2
259.07831	0.9
268.10782	1.7
283.15094	0.6
289.13196	1.0
357.18692	2.4
446.98157	0.4
459.22012	0.6
469.20126	0.8
487.21738	1.2
519.24170	100.0
520.24683	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78436	2.3
53.03939	7.1
55.01852	3.2
55.05505	36.3
55.94467	2.7
57.03433	2.9
65.03941	6.4
66.67301	2.7
67.05504	80.7
68.56447	3.3
69.03426	96.8
69.07066	34.2
70.06469	14.2
70.13376	3.0
71.04986	5.6
78.26658	2.8
79.05491	38.1
81.03412	72.0
81.07053	99.7
83.04971	20.5
83.08617	30.4
85.02923	3.5
85.06532	8.7
90.86768	2.5
91.05457	38.7
91.05900	3.3
93.07043	44.2
94.76785	2.8
95.01319	3.7
95.04988	18.6
95.08601	100.0
97.02880	5.4
97.06532	19.7
97.10181	6.6
98.20712	2.7
99.04452	9.6
99.08124	3.8
105.07027	42.2
107.04936	4.3
107.07969	2.8
107.08556	17.6
109.02878	14.7
109.06535	8.9
109.10159	40.3
111.04430	3.3
111.08085	5.9
117.07019	8.2
119.08577	49.0
121.06522	9.4
121.10143	12.8
123.04443	3.7
123.08091	10.8
123.11730	3.2
125.09680	2.8
125.82971	2.8
127.03922	9.6
127.07523	3.5
129.06995	6.1
131.08588	14.0
133.06508	4.0
133.10141	27.8
135.08052	8.0
135.11673	15.2
137.09566	6.3
137.13264	11.6
141.29041	3.0
143.08559	4.0
145.06496	4.0
145.10123	11.4
147.08070	3.1
147.11665	3.5
149.05972	5.0
149.09628	6.3
149.13261	3.6
151.07538	57.7
153.38791	4.1
155.10689	5.0
155.20734	2.8
157.10153	4.9
159.11685	8.6
161.13252	49.6
163.11206	3.8
171.07976	4.1
171.11691	4.9
173.11746	41.2
173.13176	5.5
179.14314	32.5
183.11687	3.5
185.09579	3.5
191.14207	3.7
195.13704	2.8
207.13753	6.2
209.15369	5.3
219.13708	4.8
225.14825	5.4
237.14809	20.1
259.16968	3.6
269.15405	3.6
287.16388	20.2
291.19598	3.4
299.06226	5.1
305.17474	27.1
323.18423	6.6
357.27829	3.8
428.78342	3.3
433.29559	9.1
460.37799	3.1
483.31000	7.0
501.32486	21.3
519.33240	56.2
534.38293	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58615	0.3
51.69748	0.2
53.03913	0.2
53.79053	0.2
54.44171	0.3
56.56929	0.3
56.96571	0.3
58.49622	0.3
67.05508	0.7
67.62696	0.2
69.03425	0.4
69.07028	0.2
69.92628	1.2
70.06599	0.3
74.46897	0.3
76.02260	0.3
79.05484	0.5
81.03418	0.5
81.07049	0.5
85.00615	0.3
85.02895	0.9
86.09688	0.5
91.05445	0.5
93.07014	0.5
97.02940	0.3
98.20830	0.5
105.07035	0.5
107.08585	0.6
109.06539	0.5
109.10143	0.5
119.08581	0.3
121.10091	0.4
123.08022	0.4
135.11670	0.5
137.05963	0.5
145.10071	0.3
149.26129	0.3
159.30415	0.2
193.05045	0.3
207.73357	0.3
224.89529	0.3
244.79286	0.3
259.07858	0.4
268.10889	0.3
299.06189	0.4
357.18851	3.3
373.17969	0.8
434.60959	0.3
459.21933	0.8
487.21619	1.0
501.23352	0.5
512.93616	0.3
519.24146	100.0
520.24457	2.6
523.42859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
54.35146	1.1
55.01866	4.3
55.05502	5.5
55.58230	1.1
56.96558	1.3
57.03419	2.0
57.07085	1.3
61.02927	11.8
67.05501	11.2
68.99787	15.7
69.03426	43.0
69.07067	12.4
69.45802	9.1
69.46219	2.8
70.06590	1.8
71.04996	7.5
73.38606	1.3
79.05491	13.7
81.03416	20.4
81.07054	31.1
83.04981	14.8
83.08614	3.0
85.02903	39.1
85.06520	5.3
87.00824	9.1
91.05468	9.2
93.07039	36.6
95.04960	14.1
95.08598	16.5
97.02879	20.9
97.06522	13.1
98.20702	1.4
99.04449	13.8
101.06007	1.3
103.05460	1.3
105.07026	24.0
107.04951	4.4
107.08595	17.6
109.02870	24.7
109.06497	13.5
109.10141	3.0
111.08076	29.9
113.06026	1.4
117.06973	3.0
119.04939	1.6
119.08575	13.4
121.06509	18.5
121.10131	4.6
123.04415	2.2
123.08055	3.2
123.11712	10.2
125.05983	14.8
127.03913	100.0
127.07593	3.2
129.01830	19.3
129.06996	1.3
131.08517	2.9
133.06473	3.1
133.10120	15.1
135.04364	2.1
135.08049	8.7
137.05943	2.5
139.07524	7.3
143.07033	15.9
143.08560	2.7
144.04456	1.7
145.04945	3.6
145.06499	1.5
145.10104	4.7
147.02866	12.8
147.08052	3.7
147.11678	24.8
149.09607	2.2
149.13275	3.1
151.11165	7.5
153.09103	1.7
157.08749	1.8
157.10114	6.6
159.06474	1.5
159.08043	1.8
161.13275	3.4
165.12712	8.2
166.08713	1.8
167.06963	1.4
169.04953	3.1
169.08604	1.9
169.12227	36.0
171.10321	1.5
171.11661	6.8
172.03925	10.1
173.09636	1.6
175.11195	15.9
187.06010	25.8
189.12714	8.7
190.04990	2.0
191.14314	2.0
193.12233	21.4
199.11131	6.7
204.06554	17.3
207.13785	9.4
211.11295	2.3
211.13290	33.3
213.03957	11.6
217.12267	27.2
229.14406	7.4
231.04970	6.2
235.10898	2.5
235.13284	35.3
253.14359	22.3
263.91351	1.3
273.06064	3.0
283.06137	2.7
285.10196	1.6
291.07083	12.2
318.26190	1.3
465.17987	2.0
519.17224	2.9
519.23865	5.1
519.31036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
55.01861	4.6
55.05499	4.5
57.03421	1.2
58.22467	1.3
61.02909	4.7
67.05491	7.0
68.99778	4.6
69.03426	24.8
69.07066	11.8
70.03745	1.3
70.16690	5.5
71.04974	5.0
79.05496	10.6
81.03418	16.7
81.07056	21.5
83.04978	18.7
83.08626	1.9
85.02419	1.8
85.02903	22.0
85.06519	3.6
87.00822	5.6
89.59321	1.3
91.05457	7.8
93.07037	18.8
95.04962	11.0
95.08613	10.2
97.02905	11.1
97.06519	15.9
99.04460	11.4
105.07037	15.0
107.04970	2.7
107.08583	11.3
109.02867	16.6
109.06528	11.0
109.10144	2.7
111.08083	18.0
113.06004	1.9
117.07008	2.2
119.08557	8.0
121.06487	12.6
121.10139	4.3
123.04456	1.6
123.08090	3.4
123.11685	6.2
125.05998	21.2
127.03912	44.7
127.07526	2.4
129.01851	7.6
129.07001	2.2
131.08566	4.2
133.10094	7.0
135.04398	2.5
135.08034	5.0
137.05949	4.3
137.09692	1.2
139.07535	7.0
140.53664	1.4
143.07037	24.8
143.08508	3.4
145.04936	2.3
145.06544	1.8
145.10126	3.6
147.02882	6.2
147.08073	2.4
147.11687	11.3
149.09659	2.4
151.07588	2.0
151.11156	4.5
157.08653	3.0
157.10133	6.6
159.08072	2.2
161.05948	1.4
161.09641	1.4
161.13290	1.4
163.11263	2.0
165.12775	4.6
168.77573	1.4
169.04990	2.0
169.08595	1.7
169.12230	20.0
171.11705	3.2
173.09637	2.3
175.11188	9.8
177.09137	2.4
187.06047	12.9
189.12785	5.2
191.10663	1.5
193.12248	8.4
199.11176	6.4
203.05315	1.6
207.13821	4.7
211.13300	19.0
213.03954	7.2
217.12260	20.6
219.10275	3.4
229.14313	6.2
231.05038	4.4
235.13290	21.0
237.11131	6.0
253.14348	13.8
268.10748	2.4
276.93283	1.4
291.07004	6.0
301.09363	1.3
319.15552	1.8
343.15625	1.3
357.18964	3.0
465.18103	1.5
483.18729	2.6
487.21326	2.2
519.24146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
60.11662	0.8
66.04715	1.1
69.37571	4.7
69.37989	3.3
71.04956	1.1
74.80853	0.8
79.05479	3.1
81.07039	1.6
85.02903	1.4
85.57241	0.8
91.05483	5.4
94.04186	3.4
95.08591	1.0
103.05468	2.4
105.07033	9.3
107.04958	1.4
107.08569	0.9
109.06534	1.2
115.05420	4.4
116.06251	1.1
117.07018	1.1
119.08544	2.7
121.06522	1.5
121.10089	1.0
122.03677	6.1
127.41431	0.8
128.06221	3.4
129.07019	3.9
131.04890	1.8
131.08527	1.5
132.05667	1.8
133.06483	7.4
137.05980	100.0
141.07007	1.4
144.05705	2.0
145.06442	1.1
146.03625	1.7
147.04407	1.8
147.08055	3.9
149.05954	4.1
151.07510	1.8
155.04918	1.3
159.08008	5.2
160.05185	2.3
161.05986	19.2
163.07536	2.0
165.07025	3.0
166.07755	1.7
167.07050	1.0
172.05180	3.3
174.06735	1.0
175.07556	26.0
176.47397	1.0
177.06943	1.2
178.07681	1.0
179.07057	1.5
179.08524	1.5
181.06465	1.7
184.05231	1.6
185.06108	1.0
187.07533	17.3
191.08638	1.0
193.06454	1.7
194.07295	5.9
195.08072	1.5
199.07526	12.7
202.07721	1.3
203.08614	2.4
205.06532	4.7
206.07344	1.2
207.08083	2.0
208.08745	1.0
209.09595	1.3
210.06697	1.5
215.08607	2.9
217.08482	1.1
218.07356	2.4
219.08080	2.2
220.08784	1.2
221.06026	2.3
221.09677	1.6
222.06775	3.6
223.07619	1.4
224.08304	1.0
225.09048	1.8
227.10727	1.0
231.08012	3.0
232.08873	2.2
233.05905	2.4
233.09637	2.4
234.06787	2.1
235.07487	2.6
236.08147	1.0
237.09053	7.2
239.07060	1.4
243.08044	1.1
244.08778	1.0
246.06712	1.2
247.07509	3.2
248.08438	1.4
249.09111	3.0
250.06273	1.3
253.08574	3.2
254.09224	0.9
255.08038	1.2
257.06042	1.0
259.07587	2.4
261.09149	3.7
262.09821	1.2
263.07068	2.1
264.07797	1.1
265.08633	14.7
267.06891	1.0
267.10025	2.4
269.11874	0.9
272.08395	1.2
273.08844	1.3
273.11469	1.0
275.06897	1.2
275.10413	1.6
277.08539	4.5
278.09326	2.1
279.10123	1.1
282.08932	1.9
283.09665	2.1
285.11230	11.2
287.10861	1.5
289.08615	3.4
291.10312	1.1
293.11786	1.3
294.08859	1.1
295.09482	1.0
297.11227	23.0
303.10257	3.4
307.09509	1.8
308.11020	0.9
309.11246	4.8
310.11884	2.5
315.12195	2.9
319.11072	1.4
320.10446	1.3
321.11395	6.8
322.12125	2.1
323.12683	3.8
333.11072	1.6
335.13187	7.1
340.13177	0.9
347.12799	2.6
365.13702	1.7
375.10007	1.2
379.13440	1.5
407.12714	1.6
411.15881	2.2
427.15472	1.2
439.15506	7.2
451.15384	2.3
459.17969	5.7
471.18124	10.3
483.17810	2.0
501.18668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1858
Annotation	Simplexoside
Peak:m/z	Relative Intensity
51.07767	0.3
55.01856	0.8
56.96558	0.3
57.03436	0.4
59.06102	0.3
60.04512	0.4
61.02906	0.6
65.03913	0.4
67.05489	0.3
69.03428	2.0
70.06576	0.9
71.04962	0.3
71.59126	0.4
72.72097	0.3
73.02908	0.7
77.90862	0.3
79.05494	0.4
80.25169	0.3
81.03393	1.1
84.04499	0.3
85.02901	3.3
86.09669	0.6
87.04437	0.4
91.05447	0.4
94.04163	1.9
97.02883	1.5
98.97567	0.4
99.04429	0.5
105.07055	0.4
107.04937	0.6
108.02069	0.4
109.02873	0.7
115.03944	0.3
115.05444	1.1
116.98617	0.5
117.07018	0.9
117.45942	0.3
119.04951	0.4
121.06485	0.5
122.03632	5.4
127.03902	0.8
131.04965	0.4
137.05968	100.0
138.06299	0.9
141.05466	0.7
143.04909	6.8
145.04915	0.4
145.06451	0.5
147.04393	0.6
148.04724	0.3
151.03899	15.0
151.04973	0.9
151.07495	0.5
161.05992	0.7
165.05431	0.5
167.05673	0.7
167.06961	0.4
175.07523	2.3
203.07008	2.1
205.08591	3.5
219.01790	0.3
224.49811	0.3
234.06880	0.4
237.02750	0.6
241.02301	0.3
261.89587	0.3
299.06094	0.4
307.73935	0.3
308.61227	0.3
321.11261	0.5
327.12238	15.3
328.12402	0.4
339.12167	1.0
357.13312	9.0
365.05557	0.3
449.77200	0.3
489.17459	0.6
519.18597	26.9
520.19208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1133
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01853	0.1
55.05504	0.1
61.79650	0.1
62.06096	0.1
67.01862	0.3
67.05495	0.2
68.99796	0.4
69.03422	0.3
69.07053	0.2
69.57774	0.7
75.68304	0.1
79.26858	0.1
81.03420	0.4
81.07041	0.2
83.54845	0.1
84.25694	0.1
85.02880	0.3
91.05437	0.3
93.07021	0.2
95.04978	0.2
95.08588	0.2
97.02863	0.2
97.06516	0.1
99.04441	0.2
105.07018	0.4
107.08568	0.1
109.02853	0.2
109.06522	0.2
109.10150	0.2
109.30107	0.1
119.04945	1.8
119.08575	0.2
121.02850	0.5
121.10115	0.2
123.04387	0.3
127.03889	0.3
128.56052	0.1
129.01793	0.2
129.06941	0.1
131.08583	0.2
133.10072	0.2
145.02840	0.5
145.10043	0.1
147.11638	0.1
149.13234	0.1
153.00565	0.2
153.01820	4.2
155.40564	0.1
163.03879	0.5
165.12883	0.1
167.67776	0.1
171.02888	0.9
173.05878	0.1
173.13310	0.1
203.07016	0.2
215.07156	0.2
225.05414	0.3
229.04965	0.3
235.13057	0.1
243.06641	0.2
243.10039	0.1
247.05942	0.1
253.14226	0.1
253.19554	0.3
271.05991	100.0
272.06323	1.3
327.14990	0.1
433.11267	1.4
475.11935	0.1
519.11249	2.0
519.17950	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.05032	1.2
57.03442	0.3
58.06571	1.2
60.08162	16.5
67.05499	2.3
69.07058	0.6
70.03302	0.2
70.08463	0.9
71.07370	6.0
71.97024	0.2
74.06141	0.2
79.05478	1.6
81.07051	1.7
83.04974	0.2
83.08562	0.2
86.09702	49.6
87.10030	0.3
91.05457	0.7
93.07038	1.7
95.08606	1.5
98.98454	3.5
104.10739	100.0
105.06995	0.5
105.11069	0.6
107.08589	0.7
109.66947	0.2
116.70512	0.2
121.10178	0.4
124.99998	27.0
131.08508	0.4
133.10208	0.4
135.11659	0.2
143.01025	0.4
163.01564	0.4
184.07332	99.6
185.07675	0.6
258.10999	1.2
335.25845	1.0
385.32498	0.3
441.24072	0.4
500.31311	8.9
518.32410	24.8
519.32764	0.6
532.29584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49891	0.1
54.01454	0.1
54.50084	0.1
55.05508	0.2
56.05037	0.5
57.03432	0.1
58.06635	0.5
59.07407	0.1
60.08162	7.2
67.05508	0.7
69.07063	0.2
69.71673	0.1
69.92557	0.6
71.07376	3.4
71.25501	0.1
77.95403	0.1
79.05490	0.3
81.07047	0.5
84.51117	0.1
86.09705	35.6
87.10042	0.1
91.05467	0.2
93.07035	0.3
95.08601	0.4
98.98463	3.4
104.10743	3.4
105.06985	0.1
109.10191	0.1
116.99531	0.1
125.00004	24.6
135.40237	0.1
140.63261	0.1
143.01047	0.3
155.04320	0.2
163.01578	0.1
166.14478	0.1
184.07336	100.0
185.07623	0.3
210.44537	0.1
258.10977	0.1
335.25839	0.2
474.04199	0.1
500.31281	1.0
513.22961	0.1
518.32404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.1
56.05027	2.8
56.96577	1.7
70.06583	2.7
71.58868	3.1
72.08153	100.0
74.06052	2.9
84.04498	12.9
84.08128	3.0
85.02888	3.5
86.09710	7.3
93.42999	1.5
97.02911	2.1
101.28812	1.8
102.05544	20.6
120.06570	5.5
128.38145	1.7
129.10254	2.2
130.04982	4.4
138.09114	6.6
139.85951	1.6
140.64085	1.9
142.47479	1.8
143.11775	7.8
147.04364	3.1
149.61847	1.6
156.10229	8.8
163.03891	2.5
163.63246	1.6
171.11292	13.7
173.09216	13.1
183.11293	18.2
189.12300	1.8
191.10304	4.6
201.12332	41.8
203.03366	4.0
211.10735	5.9
229.11827	33.0
272.15997	9.0
282.18164	3.5
290.16989	3.6
290.61908	2.0
300.15549	2.4
310.17709	12.6
316.20367	1.9
328.18649	16.3
371.22989	2.2
399.22437	4.1
482.25864	2.6
500.27518	2.7
518.67938	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
60.04519	2.8
61.02901	2.0
62.46957	2.0
69.03427	7.5
70.06585	3.5
70.99892	3.6
71.00234	3.5
72.08163	17.1
73.02885	2.5
74.67349	1.9
81.03426	3.5
84.04506	3.3
85.02908	33.7
86.09686	2.6
87.64895	2.0
94.85022	1.9
96.12634	1.8
97.02895	12.5
99.04456	3.1
102.05573	2.5
102.68346	1.8
103.58551	1.8
107.27915	1.9
123.04416	3.2
127.03920	8.3
129.10193	2.0
140.39265	1.7
145.02867	2.7
145.04971	6.1
145.37184	2.2
147.04413	10.2
149.02368	4.1
159.53169	2.2
163.03903	13.2
167.07031	2.6
177.01869	6.3
177.05510	3.0
187.03966	3.0
189.05441	2.1
201.12379	8.2
203.03401	100.0
205.04999	6.2
215.03455	4.8
229.11885	4.2
231.02911	13.6
233.04485	7.1
261.04007	10.7
279.04980	25.6
290.16910	2.3
291.04993	29.0
303.05130	2.3
321.06006	7.3
337.80640	2.0
339.07086	43.5
356.09842	5.9
483.47897	2.0
518.15466	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	518.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.36869	0.4
55.01856	1.0
55.05508	5.5
56.05036	0.7
57.03428	1.0
58.99583	16.8
63.74461	0.4
67.05495	5.4
69.03419	1.6
69.07059	1.4
69.66905	3.0
70.02987	0.4
70.06597	1.1
71.04987	0.8
72.08125	0.6
73.01130	0.4
76.02222	100.0
76.03976	2.9
78.97037	0.4
79.05484	5.0
80.05003	1.4
81.03411	18.8
81.07051	5.1
83.04973	6.4
83.06099	0.6
83.08615	5.7
84.04501	27.2
84.08150	0.5
85.02892	1.3
85.06531	0.5
86.06065	0.4
86.09705	0.8
86.11512	0.4
86.99048	4.0
88.02209	1.7
91.05470	7.3
93.07036	3.7
95.04964	6.2
95.08595	2.1
97.02897	1.0
97.06524	0.8
97.10160	1.4
102.05531	0.9
105.07027	4.7
107.04964	1.2
107.08585	1.6
109.06508	1.2
111.04435	0.8
111.08086	3.0
114.03747	1.4
116.01669	24.5
119.08561	4.0
120.08082	0.6
121.10129	1.4
122.06036	0.4
123.08058	0.9
124.02200	0.5
129.07042	2.7
130.04021	0.8
130.04993	13.9
130.30864	0.4
131.08524	2.4
133.04272	0.4
133.06470	0.6
133.10187	2.1
137.05995	0.5
137.78120	0.4
141.04825	0.6
142.03220	11.1
142.07762	0.5
144.01134	13.2
144.04433	0.5
146.02679	0.6
147.08054	0.6
147.11662	3.4
149.09602	0.8
157.10107	3.1
162.02193	43.4
165.12729	1.1
170.02730	4.2
172.03931	1.7
175.11192	4.4
179.04839	82.6
187.05370	2.3
190.04974	0.6
191.10612	0.4
193.12233	13.1
199.05313	1.1
204.06494	1.8
211.13287	21.3
215.04921	1.9
216.03241	0.6
227.04829	0.5
227.18550	0.4
233.05891	21.4
245.05890	4.6
267.37430	0.4
273.05249	0.6
276.15982	0.8
286.14572	0.8
290.08060	1.8
291.06427	3.1
292.06769	0.5
294.16965	1.4
295.35687	0.4
304.15363	0.9
308.09079	51.7
322.16394	0.8
332.05377	0.5
371.16437	0.5
397.18082	0.5
425.17102	0.6
466.99411	0.4
500.20462	0.7
518.21204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03935	1.1
55.01873	1.9
55.05264	0.9
55.05510	13.0
57.03441	5.1
57.07063	2.7
65.03937	1.6
67.05503	28.3
69.07069	13.1
71.04981	1.7
71.05369	1.8
73.51885	0.7
79.05050	1.6
79.05488	22.6
81.07056	32.2
83.04973	2.1
83.08616	9.1
85.06541	2.6
91.05476	19.1
91.06006	1.4
93.07047	27.2
95.04964	2.3
95.08605	26.8
97.06528	3.3
97.10175	3.2
99.08104	1.1
105.07023	25.9
107.08591	20.1
109.06519	1.7
109.10154	13.3
111.08105	1.8
115.05402	1.2
117.07015	8.5
119.08578	22.3
121.10145	15.6
123.08064	1.3
123.11688	3.6
129.06982	4.0
130.07768	0.9
131.08568	15.0
133.10126	19.5
135.07950	0.7
135.11687	9.9
137.09651	1.4
137.13281	1.3
140.29483	0.8
143.08574	6.1
145.10120	15.6
147.11688	14.4
149.13257	6.6
155.08528	1.1
157.10120	5.3
159.11693	12.8
161.13239	7.2
161.72057	0.8
163.14810	2.8
169.10147	1.9
171.11667	6.5
173.13280	7.9
175.14864	3.5
177.16353	1.6
183.11664	2.1
185.13258	5.0
187.14772	5.5
189.16409	2.7
195.11577	0.8
197.13280	2.4
199.13257	1.4
199.14801	3.8
201.16359	2.1
211.14803	1.8
213.01108	0.9
213.14749	1.4
213.16522	1.7
215.17892	1.1
217.19534	0.8
219.17448	1.0
225.16391	1.4
227.18155	1.3
241.17908	1.7
243.17346	1.0
245.19225	1.1
257.19116	1.1
259.20544	4.3
261.22235	0.9
263.20132	0.9
271.20377	0.9
273.22070	1.4
285.22128	1.0
287.23672	1.3
289.21680	1.0
299.23743	1.6
303.23111	1.0
313.25372	3.3
315.23224	1.1
315.97571	0.8
327.26785	1.0
331.26401	1.5
333.24301	2.2
335.25900	0.8
339.59695	0.8
391.28348	0.8
399.83438	0.8
401.30371	1.0
405.30112	2.5
407.28470	1.0
407.33148	4.1
407.37842	1.0
419.31885	1.4
425.34091	13.2
443.35281	5.8
447.31494	1.0
459.34457	1.2
461.36639	1.2
481.36600	1.6
499.37787	17.5
517.38922	100.0
518.39307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03946	1.7
55.01857	0.9
55.05511	13.8
57.03442	5.3
57.07068	2.8
60.97189	0.8
64.82262	0.8
65.03945	1.8
67.05503	30.9
69.03408	1.1
69.07066	14.9
69.22043	0.8
71.04986	1.1
71.60337	0.8
79.04432	0.7
79.05495	22.9
79.05957	1.3
81.06576	1.8
81.07056	38.2
83.04983	1.8
83.08603	8.5
85.06540	2.1
91.05477	22.4
91.19203	0.7
93.07041	29.9
95.04965	2.5
95.08607	30.0
97.06532	3.1
97.10156	4.2
99.08082	1.4
105.07024	24.1
107.08594	20.3
109.06530	1.8
109.10155	11.7
111.08073	1.6
117.07015	8.7
119.08577	24.3
121.10139	17.2
123.08089	1.4
123.11678	4.1
125.09667	1.4
128.06271	1.4
129.07013	3.9
130.07797	1.1
131.08566	18.8
133.10132	20.9
135.08089	0.9
135.11691	11.4
137.13277	2.0
143.08562	5.8
145.10118	17.8
145.11269	0.9
147.11688	13.2
149.09593	1.6
149.13245	5.6
155.08572	1.9
157.10110	7.1
159.11711	13.6
161.09579	1.3
161.13268	8.8
163.11214	1.1
163.14850	3.3
169.10110	2.4
171.11681	6.6
173.13275	9.8
175.14836	3.8
177.12798	1.1
177.16420	1.4
181.09906	0.8
183.11685	3.7
185.13292	5.4
185.83040	0.8
187.14799	6.0
189.16411	1.6
191.14297	0.9
197.13251	3.9
199.13255	1.0
199.14847	3.2
201.16415	3.0
203.14311	0.9
209.13283	1.0
211.14761	1.7
213.16478	1.9
215.17947	1.1
219.17418	0.9
219.58269	0.8
225.16461	1.1
227.18004	1.2
229.19580	0.8
231.70370	0.8
241.17947	2.4
241.19878	1.5
259.20667	4.1
261.22131	1.1
267.57651	0.8
271.20639	0.8
273.22037	1.3
277.21759	1.5
285.22232	1.2
287.23825	2.5
299.23541	1.6
301.25311	1.7
303.23318	1.1
305.24756	1.1
311.23520	0.8
313.25223	1.9
315.23251	1.3
317.24655	0.7
325.25330	1.4
327.26840	1.8
333.24207	2.2
343.26187	1.2
405.29800	1.7
407.27960	1.5
407.33032	3.8
419.31778	1.4
425.34222	14.6
443.35223	6.9
461.36615	1.5
463.35544	1.0
464.45581	1.0
473.36545	1.0
481.36948	1.4
499.37888	19.8
517.38898	100.0
518.39063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01857	1.1
55.05510	13.6
57.03432	4.8
57.07070	1.9
57.96813	0.7
59.17996	0.9
65.03946	1.3
67.05504	28.2
69.07066	11.9
69.62668	0.7
71.04990	1.6
79.05492	23.0
81.07053	33.5
83.04970	1.7
83.08614	7.9
85.06541	1.9
91.05479	21.0
93.07044	28.0
95.04979	2.8
95.08604	29.4
97.06544	2.2
97.10177	5.3
105.07029	22.0
107.08598	19.0
109.06559	1.3
109.10165	12.3
111.08112	1.4
117.07021	7.0
119.08585	22.8
121.06517	0.8
121.10133	15.4
121.10915	1.3
123.08047	1.7
123.11717	3.5
125.09626	1.2
129.06993	4.5
131.08565	16.6
133.10132	19.9
135.08032	1.6
135.11667	10.3
137.13243	1.7
139.11177	0.9
141.07071	1.4
143.08531	6.2
145.10123	16.9
145.11259	1.0
147.11673	11.6
149.09671	1.1
149.13263	6.6
155.08551	2.0
157.10120	5.8
159.11702	10.4
161.13263	6.9
163.11185	0.9
163.14888	2.8
169.10196	2.3
171.11671	5.9
173.13272	10.9
175.14830	5.3
177.16382	1.3
183.11707	2.8
185.11868	1.2
185.13229	5.4
187.14816	5.6
189.16434	1.9
195.11903	0.9
197.13300	2.9
199.13237	1.0
199.14902	3.2
201.16472	2.5
203.14517	0.9
210.37540	0.9
211.14766	2.0
213.16524	2.1
215.18050	1.3
219.17444	1.0
225.16342	1.3
229.64360	1.0
241.18077	3.4
241.73259	0.8
245.19119	0.9
254.53194	1.0
259.20697	2.6
263.20081	1.3
273.22025	1.0
285.22195	1.1
287.23672	1.6
299.23947	1.8
301.25275	1.3
313.25195	1.8
315.23203	1.2
317.24530	1.0
327.26846	1.0
329.24741	1.0
331.26340	1.4
333.24438	1.3
343.26300	1.1
347.25949	1.0
361.27478	1.0
391.28680	2.1
405.30154	3.0
407.28058	1.4
407.33099	4.4
419.31610	1.6
425.34146	12.6
443.35190	6.2
448.39212	0.8
461.36392	1.1
481.36603	1.4
499.37875	21.0
500.38217	0.8
517.38843	100.0
518.39417	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03957	1.7
55.05514	13.4
57.03437	4.0
57.07101	2.0
58.04153	1.5
67.05505	30.0
69.07071	12.3
70.66571	3.9
79.05495	21.8
81.07062	31.2
83.08611	7.9
85.06548	3.4
91.05482	17.0
93.07048	22.1
95.04984	2.2
95.08605	23.2
99.08162	2.0
103.28185	1.6
105.07036	26.3
107.08601	16.3
109.10154	11.1
112.99998	2.9
117.07030	4.8
119.08585	21.1
121.10136	13.2
123.08073	2.2
123.11714	4.7
129.07016	3.8
131.08585	15.3
133.10146	15.8
135.11713	7.8
137.09721	1.9
143.08556	5.3
145.10121	15.5
147.11713	9.6
149.13290	4.4
155.08572	2.2
157.10173	7.2
159.11676	10.7
161.13319	7.4
163.14772	1.7
169.10133	3.0
171.11682	5.7
173.13319	9.7
175.14946	2.8
183.11703	1.9
185.13260	4.8
187.14896	4.3
189.16379	2.6
199.14888	5.2
201.16499	1.7
213.16374	1.9
215.18024	2.2
241.17952	2.2
259.20621	3.4
313.25192	3.0
333.24277	1.9
388.08124	1.7
405.30072	3.9
407.33127	4.0
425.34143	13.8
443.35388	6.9
499.37869	15.6
517.38861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.68823	2.0
55.05504	8.8
57.03425	5.1
61.45938	2.1
65.73081	1.8
67.05506	22.9
69.07063	10.4
79.05499	15.9
81.07053	29.2
83.08633	7.6
87.86035	1.9
89.19352	1.9
91.05484	17.3
93.07039	22.5
95.04961	3.5
95.08599	20.1
97.10156	2.8
98.21475	3.6
105.07054	18.6
107.08581	13.2
109.10159	7.1
113.00028	3.3
117.07023	4.8
119.08566	16.0
121.10130	10.8
122.05556	2.2
123.08102	2.4
123.11697	3.4
129.06976	2.4
131.08566	9.8
133.10100	10.0
135.10768	2.0
135.11694	6.9
141.28433	2.2
143.08546	3.2
145.10115	11.9
147.11671	10.3
149.13298	5.5
157.10129	3.0
159.11696	10.8
161.13252	5.0
163.11203	2.1
169.10229	2.6
171.11731	4.1
173.13248	8.7
175.14891	3.4
177.62021	2.1
185.13280	5.1
185.63429	2.1
187.14828	4.3
191.14445	2.8
199.14827	3.0
405.30063	5.8
425.34119	11.2
430.36203	2.1
443.35223	5.5
456.77243	2.3
499.37979	11.6
517.38239	100.0
518.37885	4.9
535.94397	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.46450	1.0
52.59767	1.2
53.03931	1.9
55.01876	1.6
55.05511	12.7
57.03429	4.3
57.07092	2.5
64.56416	1.1
65.03961	1.2
67.05507	24.3
69.07070	15.0
69.27018	2.9
69.27431	10.6
71.05004	1.5
78.02617	1.1
79.05491	20.3
81.06577	1.7
81.07058	30.0
83.08625	6.1
85.06557	1.5
91.05477	18.5
93.07041	28.4
95.04967	3.1
95.08611	28.4
97.06519	3.4
97.10170	2.5
98.20688	2.3
99.08077	1.5
105.07035	20.7
107.08598	17.7
109.06514	1.0
109.10165	12.5
117.07018	7.0
118.90318	1.1
119.08588	22.5
121.10138	14.4
123.11718	3.7
125.09580	1.6
129.07010	3.9
131.08583	16.2
133.10124	17.0
135.08058	1.7
135.11690	7.9
137.13356	1.4
143.08595	4.7
145.10117	14.8
147.11691	11.6
149.09644	1.3
149.13301	6.4
155.08531	1.9
156.61781	1.1
157.10097	8.1
159.11697	11.8
160.85271	1.2
161.13300	6.6
163.14835	2.5
169.10162	2.0
171.11736	4.1
173.13312	9.5
175.14885	3.4
177.12773	1.2
183.11781	3.4
185.13284	4.1
187.14859	4.4
189.16457	2.2
193.42450	1.1
197.13271	1.8
199.14868	4.0
201.16423	2.0
203.14249	1.3
203.17938	1.3
213.16531	1.8
215.18073	1.5
219.17668	1.5
220.37393	1.2
225.16428	2.1
227.17979	1.8
241.18034	3.3
259.20670	2.7
287.23917	1.3
299.23740	2.1
302.85419	1.1
313.25296	1.4
315.23047	1.2
327.26859	1.4
365.28281	1.4
391.28387	2.0
405.30350	1.8
407.33298	4.4
425.34305	13.2
443.35297	6.3
461.36624	1.7
499.37836	23.0
517.38916	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	517.1685
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
52.83233	0.7
53.79092	0.6
55.01878	0.6
61.23883	0.5
63.24683	0.5
67.05482	0.9
69.03428	0.7
70.06573	0.7
71.04990	1.2
79.05510	0.8
81.03413	0.7
81.07047	1.4
85.02911	1.7
90.11605	0.6
91.05467	2.9
93.07049	1.5
94.04175	0.8
95.08656	0.9
97.02938	1.1
97.06503	0.6
103.05437	0.9
105.07038	1.3
107.08575	0.7
113.92779	0.6
119.04946	0.9
119.08559	1.3
121.06476	0.9
121.10115	1.0
127.03901	1.0
131.04904	1.0
131.08527	0.6
137.05984	8.8
145.10078	1.0
147.04399	1.3
149.05991	2.0
151.07455	0.8
159.11761	1.1
161.05978	1.6
175.07620	1.8
177.05437	2.0
184.05200	0.6
187.14822	0.7
215.07018	1.0
219.07990	0.9
233.15228	0.7
234.06720	0.8
234.15849	0.7
237.02988	0.7
243.04774	1.2
247.07393	0.7
248.08293	0.8
249.05617	0.6
251.06883	0.7
253.08647	0.7
253.11992	0.7
269.11484	7.7
269.21091	0.8
276.07730	0.7
283.09641	0.6
287.03854	1.5
289.08542	0.9
291.10144	1.0
297.11057	1.5
311.12720	0.9
319.09598	2.1
321.11209	0.7
331.09946	0.8
337.10748	2.9
344.10577	0.8
345.11465	0.9
351.12436	1.4
363.12238	1.8
431.16824	8.8
437.13559	0.7
455.15646	0.7
469.16782	1.5
473.17831	42.6
487.17499	1.3
499.17545	2.0
517.16803	100.0
518.17072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.9
57.03432	10.3
57.07060	14.2
61.02925	3.8
67.05503	90.8
69.03429	5.5
69.07065	36.1
71.04990	5.8
71.08637	4.6
71.12173	8.0
78.62950	3.4
79.05486	29.3
81.03434	5.9
81.07057	100.0
83.08616	18.4
85.02894	7.5
86.09706	7.1
87.41683	3.5
91.03985	4.1
91.05473	21.5
93.07054	30.8
95.00404	4.5
95.04989	6.3
95.08607	86.3
95.09167	3.0
97.02876	4.5
97.06528	7.1
97.10178	14.1
99.08093	6.6
104.10738	26.8
105.07039	13.4
107.08591	23.3
109.10155	39.4
111.08064	6.9
113.00003	5.8
113.09604	5.3
117.07127	4.0
119.08569	19.8
120.07471	4.0
121.10184	23.9
123.11736	19.5
131.08583	6.9
133.10133	26.2
135.11707	12.8
137.09740	3.8
137.13254	6.0
145.10036	4.1
147.11694	14.8
149.13275	16.6
151.14874	7.4
159.11639	4.7
161.13289	16.7
163.14842	15.0
165.16449	8.8
172.95218	4.7
175.14848	12.9
179.14313	5.9
179.17885	4.4
184.07326	6.7
189.16388	8.1
199.55539	3.8
217.19273	4.0
245.22650	53.8
261.22083	3.7
263.23721	52.6
278.94293	3.9
308.29507	8.7
337.27344	55.5
355.74792	4.4
356.36841	3.9
459.24634	4.3
499.33075	4.7
518.32422	4.9
529.49780	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	516.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45266	0.3
53.03914	0.6
55.05513	6.2
56.05017	0.6
57.07041	0.8
58.06598	4.3
64.81345	0.3
65.03896	0.4
67.05505	13.7
69.03430	1.5
69.07066	3.3
70.06548	0.8
70.80169	0.8
71.08600	0.3
72.08144	0.5
79.05493	5.8
81.03380	0.9
81.07056	12.0
81.42549	0.3
82.06555	0.9
83.08626	1.7
84.08122	1.6
85.02901	2.4
86.09696	0.5
87.00815	0.7
91.05460	1.0
93.06487	0.5
93.07042	6.1
95.04942	0.8
95.08604	6.6
96.08119	0.6
97.02846	1.0
97.10132	1.0
97.13106	0.3
98.09698	2.9
99.04417	0.3
105.01846	1.1
105.07016	0.6
107.07961	0.4
107.08599	4.4
109.02863	0.4
109.10151	2.1
112.11222	0.4
117.07002	0.3
117.28905	0.3
118.60330	0.3
121.10146	4.3
122.80817	0.3
123.11668	1.1
124.11270	2.0
127.03969	1.6
131.08609	0.4
135.07980	0.3
135.11682	2.1
137.05933	0.5
137.21104	0.3
138.12665	0.3
140.14281	0.4
145.04933	0.6
145.10155	0.4
149.13184	0.9
152.14330	0.6
154.26570	0.3
159.11713	0.7
163.14806	0.7
174.08295	0.3
177.16328	0.7
180.17474	0.3
180.99373	0.3
187.14841	0.7
215.14391	0.4
233.15382	1.9
248.29659	0.3
250.25302	100.0
251.25584	1.2
265.39328	0.3
268.26447	1.6
337.38129	0.3
430.31732	0.6
472.32840	0.8
516.31708	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	517.1341
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
55.34143	0.3
58.34890	0.3
59.97758	0.3
63.02373	0.7
67.05506	0.6
69.03412	0.5
69.07061	0.4
69.32476	1.2
69.32912	1.8
70.06572	1.0
72.08150	0.7
79.05486	1.6
81.03401	0.7
84.04512	0.4
84.08124	0.7
85.02905	1.0
86.09707	2.2
89.03916	9.7
91.05478	0.5
95.04980	0.9
95.08618	0.4
98.21507	0.7
98.97624	0.4
107.04961	2.7
109.02908	0.4
117.03380	9.2
127.03919	0.5
135.04417	22.9
135.59016	0.3
137.05978	0.9
145.02850	12.6
145.03999	0.7
155.34685	0.3
162.07599	0.3
163.03903	100.0
164.04259	1.2
164.51128	0.3
243.13362	0.3
286.11911	0.3
319.08139	2.6
337.09125	0.6
446.81573	0.4
499.12180	1.5
517.17511	0.5
517.22827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.6
69.03419	1.4
70.06585	2.3
70.23233	1.1
70.23636	0.7
79.05492	0.9
85.02895	0.9
89.03901	5.6
96.87543	0.6
97.02888	0.5
98.21444	0.6
107.04942	1.7
112.07603	2.1
117.03387	6.5
127.03933	1.0
135.04402	15.2
140.07066	0.8
141.07483	0.5
145.02837	10.7
163.03897	100.0
201.24518	0.5
247.97055	0.5
254.30827	0.6
325.09381	0.8
499.21872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85165	2.5
53.03936	5.1
55.01846	4.8
55.05507	3.9
56.96551	8.8
61.02918	2.5
62.06058	2.8
66.96074	2.6
67.05482	7.7
69.03442	14.5
69.07055	4.5
69.42331	23.4
79.05484	5.7
81.03410	14.0
81.07066	16.0
83.08620	2.9
85.02907	38.8
87.00829	13.2
91.05470	15.9
93.07030	12.1
95.04955	5.1
95.08609	22.0
97.02898	9.6
97.06545	3.3
98.97545	3.0
99.04442	6.6
100.11253	5.8
105.01867	32.1
105.07038	13.9
107.08575	13.7
109.02867	12.5
109.10130	4.5
115.05543	3.1
117.07016	9.7
119.08585	17.3
121.10140	10.6
127.03926	25.9
129.07022	3.7
131.08574	21.7
133.10126	9.1
135.08083	2.8
137.06012	4.1
140.20094	2.6
143.08524	6.5
145.04939	8.3
145.10130	21.5
147.11748	4.6
151.07544	4.7
155.08487	2.9
157.10132	6.4
158.10526	2.9
159.11728	13.3
161.13289	16.8
163.07516	3.2
173.09529	3.4
175.46953	2.8
177.09100	2.9
185.13274	9.8
187.14874	43.5
193.12181	3.5
197.13184	4.1
205.15878	4.6
215.14255	10.1
219.13808	2.8
231.04953	9.2
231.13809	9.2
232.14105	4.9
233.15369	100.0
242.11575	4.1
249.06056	7.2
259.12198	6.6
260.12540	4.7
285.09973	3.4
286.10452	6.0
304.11334	4.0
323.16489	3.4
408.90259	2.8
445.18118	4.3
448.44968	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67549	0.4
56.23123	0.4
58.06593	0.7
58.61850	0.5
60.08158	6.8
60.80759	0.4
67.05491	0.8
69.71616	0.9
69.72022	2.7
71.07378	3.2
81.07056	0.4
86.09701	31.5
91.05470	0.6
98.21534	0.4
98.98465	2.9
104.10744	3.0
105.06993	0.5
114.02843	0.4
125.00000	23.0
125.33948	0.5
131.29491	0.5
137.64259	0.6
184.07335	100.0
281.20377	0.5
320.21829	0.7
341.07547	0.5
498.29691	1.1
516.30688	1.1
516.37354	0.8
519.32764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.96566	5.6
57.03439	0.8
60.08178	1.1
67.05492	1.4
69.07066	1.2
71.07381	0.8
71.60374	0.7
71.60771	0.8
71.95278	0.7
74.63767	0.7
81.07053	1.4
83.08624	0.6
83.99931	0.6
84.76499	0.7
84.83579	0.7
86.09709	3.0
95.08646	1.6
102.92635	2.9
104.10744	13.9
104.11414	1.0
106.89296	0.7
136.93146	4.3
136.94072	1.8
146.98216	1.3
154.94177	17.0
172.95238	56.4
175.72490	0.7
179.98318	8.3
190.96281	35.9
192.95779	1.1
195.96782	4.0
197.98390	10.6
210.96770	10.8
212.98441	1.3
213.97864	2.7
215.99503	7.0
221.00092	1.4
228.97841	26.4
229.00079	1.5
230.99490	0.9
233.98445	0.9
239.01097	0.9
246.98854	5.4
251.99454	2.0
257.10553	0.8
311.25677	1.0
317.17911	1.1
317.58035	0.9
319.19348	9.0
335.18930	2.3
337.20465	22.3
337.27029	1.2
351.91693	1.0
355.21674	1.4
360.21994	3.9
399.16132	0.9
417.16705	1.1
455.18604	15.7
457.23291	7.1
460.20877	1.0
473.19806	100.0
474.20349	1.5
496.21338	8.5
516.24310	11.5
516.30896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.6
56.96564	11.7
58.87574	0.7
60.08527	0.7
65.99633	0.6
67.05494	1.0
69.07056	2.8
69.26331	6.4
69.26737	1.5
71.94461	0.6
81.07053	1.5
83.08632	1.3
91.05465	1.2
93.07059	1.6
95.08607	1.5
97.99213	0.8
98.06059	1.5
104.10738	3.2
119.08568	1.1
130.01785	1.5
136.93112	6.3
142.03275	0.8
148.02806	2.4
154.35771	0.7
154.94156	23.5
159.03273	1.1
160.02829	1.3
165.25897	0.7
170.04872	1.0
172.95230	77.6
173.04915	1.4
174.95702	0.9
184.06464	0.7
188.05844	0.8
190.96275	55.0
192.96620	0.7
195.96820	6.0
197.98346	0.7
198.08026	1.4
199.06531	0.8
204.09190	0.8
208.97391	1.1
210.97691	21.6
213.97809	4.0
215.99477	1.4
216.09145	0.8
216.97897	1.6
228.97774	1.1
238.11127	1.6
240.12651	1.3
241.75566	1.0
246.98955	2.0
251.41374	0.7
252.12810	2.9
254.14299	1.0
256.12250	1.5
258.13867	1.3
270.13766	1.9
294.19244	0.7
306.27902	6.4
308.87640	0.8
319.19537	2.0
330.20905	1.1
332.22427	3.8
334.20850	0.7
336.21793	1.0
337.20322	1.2
344.18680	0.9
346.20380	1.1
348.22141	7.6
350.23636	19.3
354.59949	2.0
359.19632	0.8
360.22253	1.2
362.23688	26.3
363.24197	0.8
366.23282	1.2
368.24844	1.5
380.24500	0.7
391.26343	1.0
398.17764	3.8
424.19296	3.9
442.20337	12.5
457.23141	2.5
460.21356	74.1
479.21591	1.0
498.22900	2.6
516.23999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
59.21699	3.2
66.31129	2.9
70.06584	5.2
71.23025	4.2
71.23370	4.4
78.46770	2.6
82.01929	2.5
86.67815	2.4
129.52635	3.1
136.06184	100.0
171.69452	3.6
201.05391	2.6
215.53157	2.7
263.06046	3.0
268.10312	21.5
312.49985	2.6
442.60864	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
56.05003	1.7
57.03413	1.5
57.98801	1.8
58.99583	20.8
61.75436	1.2
65.42098	1.1
67.05504	2.3
69.03456	2.2
69.07053	9.8
70.06584	2.9
71.04983	3.1
71.30364	1.2
71.59777	2.4
72.08149	2.9
76.02226	86.7
76.03994	3.5
79.05496	7.8
81.03395	2.6
81.07069	2.3
81.86874	1.2
83.04966	1.8
83.06108	2.0
84.04027	2.4
84.04496	22.8
84.24998	1.4
85.02909	1.6
86.09691	4.4
86.99056	5.4
88.02187	2.0
91.05484	5.4
93.07068	7.8
95.04964	4.0
95.08621	1.7
97.06541	1.6
102.05571	1.4
105.07033	6.3
107.04946	7.4
107.08587	5.6
109.02869	1.6
116.01666	30.3
117.06995	2.6
119.08580	4.9
121.06513	7.1
121.10090	7.5
129.06688	2.6
130.05019	5.7
131.08560	20.6
132.24596	1.3
141.05487	2.0
142.03214	5.4
143.08408	1.6
144.01157	15.9
145.10106	10.3
147.08029	1.5
149.09624	11.5
153.05504	7.9
161.09680	1.9
162.02196	48.3
163.11211	8.4
165.09106	2.0
170.02676	3.2
179.04849	100.0
187.05374	2.4
189.09026	1.2
191.10658	9.3
207.10132	2.4
209.11734	31.0
209.65344	1.3
215.04813	1.6
221.09961	1.8
231.19493	1.5
233.05894	10.3
245.05959	3.5
284.13144	10.3
294.11710	1.3
308.09030	10.1
369.14896	12.2
377.42697	1.3
387.15540	1.6
396.78223	1.4
405.93872	1.3
421.05991	1.3
441.16949	4.9
516.19714	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	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
54.97205	2.2
55.01860	4.6
55.05512	17.3
57.03430	6.4
57.07053	2.8
63.56972	2.3
67.05164	4.4
67.05505	56.2
69.07068	18.5
70.72370	2.0
71.04990	2.3
71.59996	2.3
71.60400	3.2
79.05489	43.2
81.03368	2.2
81.07049	38.1
83.04996	11.1
83.08629	5.5
87.00819	2.1
91.05475	30.2
93.07040	59.2
94.31125	2.0
95.04973	9.2
95.08611	27.2
97.06527	6.5
97.10163	8.9
105.07019	18.7
107.08582	33.3
109.06500	2.9
109.10156	9.5
111.08067	3.5
112.50314	2.2
112.86422	2.0
117.07037	12.3
119.08570	16.8
121.10130	16.5
124.73080	2.4
125.09628	2.5
129.06993	2.6
131.08566	13.3
132.68988	2.2
133.10164	10.2
135.11688	33.7
141.44287	2.1
143.08569	4.1
145.10115	17.6
147.11688	6.7
149.13260	3.8
153.12741	5.2
155.08704	3.2
157.10147	4.3
159.11670	6.4
161.13255	4.4
163.11169	3.6
171.11797	5.8
173.13316	6.7
181.12286	3.9
183.11699	2.8
185.13281	3.5
187.14897	3.4
261.22256	4.9
321.40063	3.1
405.31815	4.2
423.32477	6.2
441.33649	3.2
497.36261	3.9
515.37341	100.0
516.36511	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01855	3.9
55.05507	17.0
56.56860	1.3
57.03435	3.2
57.07062	2.7
63.18254	1.7
65.03949	1.7
67.05501	45.2
69.07066	14.5
70.04719	8.2
71.04967	2.9
73.79961	1.5
74.80096	1.6
79.01109	1.4
79.05495	41.9
81.07059	38.0
83.04990	8.4
83.08616	5.2
85.06518	2.7
88.12075	1.8
91.05483	23.2
93.06465	2.7
93.07042	43.5
95.04966	7.0
95.08601	28.6
95.09163	2.7
97.06536	6.8
97.10165	5.7
98.21442	2.4
105.07036	19.4
107.04942	2.1
107.08600	26.6
109.06500	3.1
109.10159	14.5
111.08124	1.5
114.24369	1.7
117.07026	11.9
119.08588	15.6
121.10149	15.5
123.11707	3.1
125.09617	1.9
129.07011	4.7
130.07793	2.5
131.08569	14.3
133.10139	14.8
135.11699	29.9
141.06967	1.9
142.07823	2.2
143.08542	8.8
145.10135	17.7
147.11655	9.0
149.13280	3.9
153.12749	6.2
157.10133	7.1
159.11659	10.3
161.13284	4.3
163.11200	4.8
169.10138	2.6
171.11679	6.0
173.13290	7.0
181.10165	1.7
181.12131	3.6
183.11714	2.9
185.13322	4.2
187.14851	3.8
195.11659	2.0
199.13219	2.0
199.14894	2.7
209.13309	1.9
253.19485	2.1
261.22113	3.7
310.29147	1.8
311.23669	2.2
405.31662	2.6
423.32413	8.4
437.15289	1.9
441.33905	4.1
459.34299	2.5
497.36224	4.9
515.37360	100.0
516.37360	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	28.9
56.96598	5.4
57.03431	12.5
61.02911	8.4
66.67317	4.9
67.05510	87.7
69.03420	23.0
69.07072	26.1
71.04970	8.6
79.05488	62.0
81.03407	14.8
81.07063	100.0
83.04960	5.3
83.08603	19.4
85.02874	8.3
85.71974	4.7
91.05481	55.3
91.27634	5.1
93.07047	77.0
95.04964	10.9
95.08604	64.7
97.02882	5.1
97.06527	10.9
97.10210	6.5
99.08075	7.4
105.07016	47.5
107.04913	6.7
107.08588	51.4
109.06532	10.7
109.10170	32.2
111.04433	6.3
114.05955	4.9
117.07000	18.9
119.08574	37.1
121.06512	6.5
121.10146	41.8
123.08083	9.0
123.11710	17.5
131.08537	33.4
133.10123	31.4
135.08031	6.2
135.11691	28.4
137.09550	5.5
137.13261	9.4
143.08522	11.2
145.10127	32.5
147.11673	23.2
149.13252	27.6
157.10091	8.5
159.11649	26.2
161.13234	18.9
163.11133	7.9
163.14799	15.4
169.10179	5.8
171.11658	9.7
173.13284	16.9
174.37173	5.1
175.14871	7.7
183.11720	8.0
185.13260	6.9
187.14854	10.9
189.80991	5.1
191.14296	9.2
233.03360	5.0
243.21083	17.2
261.22104	59.2
279.23242	6.4
301.21548	7.1
317.24884	5.5
335.25775	10.0
353.26782	22.8
358.16360	14.5
358.66376	7.7
369.24255	11.0
387.25330	9.1
418.02011	6.2
419.27365	6.9
455.36893	5.6
461.28885	6.9
497.30826	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05510	11.1
56.96563	2.6
57.03433	6.5
58.49694	2.0
61.02916	4.7
65.91702	1.9
67.05166	3.4
67.05503	43.5
69.03429	6.4
69.07059	10.3
71.20558	5.2
73.02882	3.6
76.95940	2.0
79.05491	28.3
81.03422	3.8
81.07050	50.5
81.54934	1.9
83.04973	3.1
83.08617	4.0
85.02903	7.2
91.03946	3.0
91.05477	19.6
93.07040	32.2
95.08602	40.2
97.02904	8.3
97.06577	3.6
99.08132	3.4
105.07037	14.6
107.04971	2.5
107.08600	20.8
109.06519	3.1
109.10161	13.9
110.22237	2.1
116.98563	2.6
117.07028	6.4
119.08583	12.8
121.10137	15.8
123.08094	2.8
123.11722	8.7
127.03915	2.6
127.74636	1.9
129.07004	4.1
131.08562	16.8
133.10141	10.2
135.08101	3.4
135.11679	14.8
137.13257	2.6
143.08611	2.6
145.10100	10.8
147.11693	7.5
149.01256	6.5
149.13283	7.5
156.03581	3.1
157.10176	3.1
159.11694	11.1
161.13243	5.2
163.14833	5.5
171.11671	3.5
172.95268	3.8
173.13295	6.0
175.14836	2.4
187.14745	4.0
189.12941	2.3
190.96349	3.1
243.21091	9.9
259.20639	2.7
261.22116	26.9
261.24542	3.2
278.14453	2.4
279.23218	2.5
302.44382	2.1
303.22931	2.2
335.25754	11.9
345.24231	5.0
353.26865	8.4
358.16464	18.8
358.66602	18.0
359.16641	6.4
363.25043	2.0
369.24313	4.3
387.25769	2.1
419.27924	5.7
459.19489	2.6
497.31241	5.4
515.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01863	3.7
55.05505	27.2
56.99587	2.3
57.03436	11.8
57.07083	4.1
60.02655	2.0
61.02932	3.9
63.31585	2.3
65.03938	4.0
67.05502	100.0
69.03451	7.8
69.07063	17.8
71.05002	4.7
71.11694	2.3
79.05492	53.9
81.03422	4.5
81.07053	98.1
83.05013	3.0
83.08607	11.2
85.02920	10.3
85.06548	6.8
91.03982	3.8
91.05488	37.4
93.07043	66.6
95.04981	8.6
95.08607	76.8
97.02912	8.2
97.06558	6.3
97.10217	3.5
98.20753	3.6
99.08111	4.1
105.07028	31.6
107.08593	41.6
109.06541	8.1
109.10155	37.3
109.10834	3.6
111.08148	3.1
117.07046	12.2
119.08578	28.0
121.10138	34.9
123.08118	4.0
123.11701	17.5
125.09661	3.4
127.03983	2.5
129.05472	2.7
129.07065	3.7
131.08571	27.2
133.10118	19.1
135.08115	4.1
135.11679	34.2
137.09679	2.9
137.13268	4.9
139.11137	2.8
143.08624	4.7
145.10100	19.7
147.11668	14.6
149.09622	4.0
149.13254	22.6
157.10182	4.7
159.11682	15.6
161.13229	12.5
163.14857	12.7
171.11662	3.3
172.97232	2.2
173.13258	18.5
175.14877	5.8
177.12772	3.3
177.16357	3.9
179.14325	4.4
187.14824	10.8
191.14439	2.8
201.16312	3.3
215.17807	2.2
217.74524	2.0
233.22725	5.5
243.21080	20.3
256.97937	2.6
261.22137	68.2
279.23218	5.8
303.23245	3.8
327.23325	2.3
335.25787	20.4
345.24274	5.3
353.26852	14.3
369.24231	5.5
419.27921	4.7
433.30014	2.4
479.30118	4.0
497.31097	6.3
500.67081	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77559	0.5
67.05489	0.5
70.67477	0.9
70.67827	0.5
79.05487	0.8
81.07064	0.7
91.05470	0.6
93.07050	0.4
95.08579	0.7
107.08593	0.8
109.84580	0.4
119.08621	0.6
185.04216	0.8
514.50970	1.0
515.31866	100.0
516.31842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.6
57.03423	8.3
57.07072	4.3
65.03923	4.9
67.05501	83.7
69.03408	12.3
69.07072	20.7
70.79223	11.7
71.04962	4.6
73.02907	3.8
78.83628	2.9
79.05494	51.5
81.03410	6.7
81.07056	100.0
83.04988	4.8
83.08603	7.9
85.02901	7.5
91.04962	4.3
91.05479	40.5
93.07041	79.6
95.04927	4.7
95.08604	71.5
97.06510	8.1
97.10111	4.6
105.07040	29.3
107.08591	41.3
109.06504	4.8
109.10162	37.8
111.08099	3.4
117.06995	13.3
119.08567	24.1
121.10129	34.6
123.11699	13.0
131.08559	25.9
133.10120	24.1
135.11691	28.6
137.09669	4.5
137.13174	4.0
143.08527	7.1
145.10098	19.9
147.11658	13.5
149.13214	17.6
157.10124	6.7
159.11665	25.1
161.13217	11.4
163.14813	13.6
171.11710	4.1
173.13261	19.1
175.14717	4.4
177.12758	3.7
179.14348	3.9
187.14870	9.0
191.14287	4.0
201.16479	5.3
225.83452	3.6
243.21091	32.1
261.22128	92.6
280.20868	3.8
299.19925	3.4
301.21432	4.6
335.25812	9.2
345.24524	5.0
353.26852	16.4
369.24231	5.0
387.25266	4.1
419.27896	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	515.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12311	1.3
50.59486	1.4
55.05497	1.8
56.96558	1.8
57.03442	2.0
67.05504	3.2
69.03413	3.4
69.07040	1.6
69.77353	1.4
69.93406	9.5
70.06590	39.5
71.06904	2.3
72.08148	7.2
73.94579	1.6
79.13335	1.6
79.55420	1.6
81.03403	3.0
83.04976	1.7
83.06105	1.7
84.04520	3.2
84.08128	4.5
85.02888	3.8
86.06077	2.0
86.09705	13.7
89.12179	1.8
91.05484	3.0
95.04951	2.5
97.02875	3.0
98.21449	1.9
107.08562	1.6
110.07152	1.6
111.04400	2.4
116.07056	3.8
120.08075	4.9
127.03923	2.2
127.08644	1.9
136.07576	3.1
143.11880	1.7
146.99710	1.9
147.04469	2.2
160.05177	4.0
161.05956	3.0
165.07011	3.3
176.06180	1.9
181.06471	3.6
187.03926	2.2
187.10826	4.6
193.06563	4.3
201.12479	2.2
205.06528	15.8
209.78116	1.7
211.07602	2.2
221.05972	42.7
223.07582	29.2
224.64792	1.6
229.15474	13.8
230.15811	4.5
233.06003	10.8
239.07011	5.4
249.05469	41.8
250.06242	3.0
251.07022	33.1
267.06537	32.0
269.08066	14.9
271.06390	1.8
277.04916	13.6
285.07455	3.3
295.06003	95.2
313.07065	29.3
323.05478	6.9
341.06543	100.0
435.50815	1.7
471.14423	2.2
497.10483	3.7
515.12646	3.4
515.20874	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	515.2829
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
50.64157	0.7
50.77211	0.7
56.96564	2.4
67.05501	1.1
68.44976	0.7
70.84944	1.6
70.85318	1.5
81.03397	0.9
81.07038	1.2
85.02910	1.0
86.09683	1.6
91.05496	1.6
93.07050	1.6
97.02880	1.2
105.07034	1.1
107.04948	8.5
114.34067	0.8
119.04955	0.9
119.08568	1.3
120.19200	0.8
121.10130	1.0
122.46619	0.8
131.08604	0.9
145.10115	1.2
147.04414	1.5
162.66631	0.8
173.09554	1.0
183.06924	0.8
185.04291	1.3
185.09589	1.0
209.34927	0.8
213.09102	1.5
224.72472	0.8
241.08754	1.3
241.11177	2.7
259.12210	3.4
271.53281	0.8
285.10147	3.1
303.11148	3.4
353.22968	63.9
354.23251	1.2
411.14407	1.2
515.28290	100.0
516.28821	2.6
541.72009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.05023	1.2
56.96557	1.6
67.05502	1.8
67.34553	0.9
69.03439	2.5
69.36320	0.9
70.06594	25.8
71.06915	2.0
71.59498	1.3
71.59893	1.3
72.08163	7.0
81.03420	2.6
81.07066	1.1
83.04977	2.3
84.04508	2.6
84.08158	3.4
85.02908	4.3
86.09713	9.8
88.03995	1.6
89.86221	1.2
91.05453	1.2
93.07014	1.1
95.04964	2.0
97.02923	1.3
98.97578	1.4
99.36518	1.0
101.31995	1.0
103.05482	1.1
111.04430	1.9
116.07077	1.4
118.93613	1.1
120.08115	4.1
129.10255	2.9
134.99677	1.7
136.07552	1.8
137.06049	1.3
139.03813	1.0
142.08612	1.2
159.04414	1.8
160.05191	4.5
163.03949	2.4
165.07027	3.2
177.00766	1.4
177.07054	2.0
181.06485	4.3
187.10809	4.2
193.06506	4.0
203.04953	1.1
205.06482	13.6
205.86720	1.1
211.07689	2.2
215.10312	1.9
221.05975	45.0
222.06509	1.0
223.07571	30.2
223.09723	2.0
229.15532	11.2
230.15862	3.3
233.06018	11.6
234.06725	1.4
237.02789	1.6
239.07083	3.8
246.29640	1.2
249.05484	39.1
250.06134	1.7
251.07047	34.1
253.05032	1.2
266.05612	1.2
267.06528	30.7
267.89084	1.2
269.08069	18.5
271.05948	1.3
277.04971	14.5
285.07602	1.4
295.06021	80.9
313.07059	33.6
323.05447	5.8
341.06577	100.0
385.94382	1.2
497.10599	4.4
511.45517	1.3
515.12653	4.1
515.20728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.36287	1.9
55.05492	9.0
56.93371	2.3
56.96558	3.7
57.03424	5.3
65.62672	1.9
67.05508	12.8
69.03423	11.6
69.07040	2.3
70.06583	8.0
70.94155	6.8
71.05013	2.7
73.02922	2.7
73.06544	5.3
73.24980	2.5
76.88026	2.1
79.05493	8.3
81.03415	98.2
81.07050	11.3
83.04976	4.8
83.08610	20.3
85.02916	17.8
86.09695	9.3
87.00846	3.0
91.05467	14.3
93.07038	6.5
95.04957	27.4
95.08595	8.0
97.02888	10.6
98.97576	4.3
99.04465	2.6
103.03993	2.2
105.01871	4.3
105.07018	10.0
107.04977	8.0
107.08585	6.7
109.02872	7.1
109.06530	3.9
111.08070	9.4
116.98608	3.3
117.07042	3.1
119.08598	11.2
120.08111	31.2
121.06468	3.6
121.10126	5.7
123.04449	2.9
126.22647	2.2
127.03926	15.2
129.06989	9.0
131.08583	10.9
133.10107	6.1
137.09634	2.8
145.04993	3.4
145.10124	3.9
147.08043	5.5
147.11691	9.5
149.09663	3.3
157.10107	9.6
164.10716	5.6
166.08629	11.8
175.11163	15.1
177.00652	2.4
189.12672	2.8
192.10158	3.9
193.12238	76.2
211.13269	7.6
220.13342	2.6
237.02762	2.6
243.10818	4.4
266.13895	15.0
267.12009	20.8
267.15958	42.0
272.06631	3.3
273.06042	7.3
285.16953	100.0
292.10931	2.5
299.18588	2.9
301.14401	3.0
309.16934	7.5
323.12399	4.9
336.91284	2.2
340.10614	2.4
357.08185	3.7
446.17529	3.8
464.17996	7.6
470.17297	3.4
496.20721	2.9
513.13214	2.4
514.16937	8.8
515.16486	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	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01869	5.0
55.05502	5.5
56.96535	2.3
57.03423	3.2
61.02916	4.6
67.05506	6.1
69.03425	15.2
69.07060	2.7
69.91452	11.8
70.06578	3.0
73.02930	3.1
78.43003	2.2
79.05478	10.0
81.03429	13.2
81.07060	15.5
83.04977	3.5
85.02905	33.3
86.03783	2.2
86.09717	4.0
87.00839	9.8
91.05472	19.0
93.07047	14.6
95.04964	6.1
95.08604	8.4
97.02903	14.5
99.04456	6.0
103.05463	2.9
105.01875	10.8
105.07027	27.2
107.08595	10.4
109.02872	19.7
115.05512	2.8
117.07044	12.9
119.08588	18.1
121.06468	2.9
123.04436	2.1
127.03912	26.4
128.06209	10.6
129.07014	24.3
131.04858	2.2
131.08569	17.6
133.06482	2.8
133.10132	7.0
137.06010	3.4
138.19656	1.9
141.06995	3.2
142.07768	10.6
143.08566	41.1
145.04961	8.0
145.10123	24.4
147.11696	4.4
155.08582	8.5
156.09355	2.9
157.06493	7.8
157.10127	44.1
159.02905	7.9
159.11661	16.7
163.07527	3.5
165.06973	4.6
169.10150	3.4
170.10927	4.6
171.08037	7.0
171.11696	4.0
175.07538	7.9
175.11279	2.7
175.14810	6.3
180.09344	5.0
183.11699	6.1
185.09663	3.3
185.13255	89.8
187.14824	5.8
189.09125	5.5
191.10670	4.5
195.11719	21.7
201.12769	4.5
203.10583	3.0
203.14339	17.1
213.03885	2.4
213.12764	34.6
231.04901	5.4
231.13794	100.0
249.14816	9.2
285.10406	2.9
514.19788	3.4
514.26874	15.7
515.28198	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05509	8.1
57.03433	4.8
61.02919	5.2
66.33758	3.4
67.05511	14.5
69.03436	6.4
69.07071	4.4
69.59021	12.3
69.59451	11.3
70.06585	15.8
72.08148	6.4
76.32759	3.0
79.05488	12.5
81.03415	100.0
81.07040	9.7
82.40824	3.0
83.04971	5.1
83.08620	25.6
84.04517	3.1
84.08117	6.4
85.02909	11.5
86.09710	16.3
91.05484	14.7
93.07028	9.5
95.04964	26.0
95.08603	12.7
97.02872	5.2
97.06503	3.7
105.07045	12.5
107.04932	11.7
107.08594	12.1
109.02869	6.3
109.06516	6.8
111.04435	3.6
111.08078	10.3
116.98585	3.6
117.06960	3.7
118.86253	3.1
119.08590	12.9
120.08128	4.2
121.06499	4.9
121.10102	6.8
123.04443	3.6
123.08134	3.9
126.72018	2.8
127.03903	8.1
128.32054	2.7
129.07008	11.1
131.08562	11.0
133.06505	7.2
133.10150	6.2
135.08012	3.0
136.68536	2.9
137.09651	4.0
142.07742	5.1
145.10219	7.0
145.92441	3.1
147.08099	3.6
147.11682	12.4
149.09625	10.6
157.10129	10.8
157.86685	3.1
163.11105	3.1
164.10733	7.0
171.11713	8.2
175.11124	17.1
189.12700	5.4
192.10191	13.9
193.12244	77.0
211.13414	4.3
217.12253	6.5
234.25375	3.3
243.55156	3.2
248.16412	5.3
252.09213	3.3
258.68591	2.9
263.10379	5.4
266.17603	5.6
267.11945	10.5
267.15930	55.4
272.17090	3.0
276.62527	3.2
278.89310	2.9
285.13992	6.5
285.16965	77.4
287.16855	3.0
309.16974	11.8
323.12329	11.8
363.18121	4.2
375.17984	3.7
429.21106	9.4
482.09750	3.1
482.18909	5.3
514.21271	14.8
514.28992	4.9
515.17169	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	11.3
62.84165	1.2
67.05499	5.5
68.57228	1.1
69.44283	8.2
69.44692	2.5
70.48055	1.3
71.83945	1.1
76.01759	1.1
81.07056	4.1
95.08597	2.8
118.92134	1.2
123.08186	1.1
130.01794	1.5
136.93060	5.9
145.10176	1.3
147.00577	1.3
148.02902	1.2
154.94162	18.7
160.02826	2.2
172.95235	78.3
177.95732	1.8
190.96283	58.8
195.96747	7.3
198.96962	1.3
208.97279	1.9
210.97678	10.3
213.97929	3.8
216.09068	1.9
228.97911	1.8
230.10561	1.3
246.98950	2.7
252.12665	2.6
270.13818	2.9
278.14316	2.3
280.15823	3.1
292.15717	1.7
303.88638	1.3
304.26395	2.7
317.17810	2.5
330.21082	5.6
335.19308	1.5
346.20499	7.0
348.22073	24.8
349.21979	1.5
358.16425	5.9
360.22144	23.6
366.23257	1.9
396.16135	4.6
422.17624	4.4
440.18829	12.6
458.19781	65.0
496.21216	1.9
514.22437	100.0
515.22986	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2144
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
57.03425	1.6
61.02907	1.9
61.32316	0.6
67.05481	1.6
69.03429	6.1
69.50189	0.6
69.50524	5.3
70.06584	1.5
71.05002	0.7
81.03400	2.0
85.02428	0.7
85.02906	10.5
86.09695	1.0
87.04467	1.1
91.03938	0.7
92.72367	0.6
93.10044	0.5
97.02894	5.3
98.97601	0.8
99.04470	0.8
109.02874	1.1
109.06503	0.5
116.98600	0.6
119.03560	1.0
121.05070	0.6
127.03938	2.9
136.06183	100.0
137.04558	1.3
140.08179	0.7
145.04973	1.8
148.06177	4.9
158.07199	0.7
159.06667	2.2
173.08197	0.9
175.09766	1.3
185.08228	13.5
202.10870	26.8
209.06876	0.6
220.11926	69.2
226.83870	0.7
230.89407	0.6
235.29674	0.6
242.58112	0.5
242.99698	0.7
352.12207	1.0
352.16074	6.4
382.17206	76.2
383.17511	1.4
514.21484	29.0
515.21600	0.8
516.17712	0.6
521.58081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08885	2.6
53.03938	10.4
55.01871	8.5
55.05507	28.4
57.03442	31.9
57.07066	5.4
61.02918	18.0
65.03929	5.8
67.05507	100.0
69.03433	30.2
69.07060	31.4
71.01331	4.7
71.04985	9.6
71.08604	3.0
71.60042	4.9
73.02908	11.5
79.05490	62.2
81.03412	32.7
81.07056	89.0
83.05004	12.9
83.08620	20.4
85.02899	28.4
86.69151	2.8
87.04465	6.3
91.03982	12.9
91.04960	4.7
91.05485	55.5
91.06001	2.3
93.07048	85.4
95.04966	12.6
95.08611	62.8
97.02905	32.0
97.06537	20.8
97.10151	7.2
99.04455	9.0
99.08091	5.5
101.02369	11.8
101.88788	2.7
103.03923	7.4
105.06363	4.5
105.07031	47.0
107.04945	5.3
107.08589	55.4
109.02843	14.1
109.06505	8.2
109.10158	38.9
111.04428	6.3
111.08088	7.5
115.03918	3.0
117.07041	14.5
119.08581	40.5
121.10149	46.1
123.08082	4.7
123.11706	6.7
125.09618	10.4
127.03946	17.7
129.05469	7.3
129.06982	6.0
131.08572	20.9
133.06396	3.9
133.10130	32.7
135.08009	4.6
135.11699	29.7
137.09615	5.4
139.11211	4.2
143.08542	8.7
145.04979	4.5
145.10144	16.6
147.11674	27.2
149.05991	4.3
149.09631	3.1
149.13254	21.7
151.11224	4.5
155.21675	2.6
159.11691	21.5
161.06044	3.5
161.13295	18.2
163.11205	3.8
163.14803	4.8
165.12735	4.9
171.11693	8.5
173.11732	7.8
173.13252	12.3
175.11160	4.8
175.14825	7.1
177.12723	4.6
179.14301	14.1
185.13272	10.4
189.11166	4.8
189.12750	4.0
195.13712	3.3
201.07646	3.3
203.12752	4.9
229.14369	5.2
231.21214	3.1
241.19553	9.4
259.20587	31.1
277.21613	56.0
312.70447	2.7
333.24225	10.1
351.25281	62.2
393.26663	3.2
441.26038	3.3
477.28592	4.0
495.29205	4.7
513.29932	16.1
514.27887	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.5
55.01858	7.6
55.05508	26.4
57.03432	35.1
61.02933	21.9
67.05163	5.6
67.05502	69.7
69.03432	26.6
69.07067	23.7
69.60999	25.6
71.05006	18.3
73.02911	14.7
75.04475	3.4
77.03926	4.3
79.05497	64.1
81.03419	32.4
81.07053	81.1
83.04977	11.4
83.08614	8.0
83.84534	3.5
85.02904	36.5
85.06541	7.1
86.10403	3.2
91.03927	7.8
91.05478	65.6
93.07042	100.0
95.04967	15.2
95.08610	71.6
97.02892	31.2
97.06512	9.8
98.21465	5.2
99.04467	10.7
99.08076	6.7
101.02384	5.9
103.03963	8.8
105.07028	47.8
107.08585	51.1
109.02888	9.0
109.06510	6.6
109.10147	22.6
111.08080	5.2
117.07028	20.9
119.08578	40.0
121.10159	44.0
123.08033	6.8
123.11662	10.2
125.09647	4.6
127.03948	18.8
129.05473	7.4
129.06998	7.1
131.08556	35.8
133.10141	38.3
135.11711	30.4
137.09654	5.4
142.07697	3.8
143.08563	11.9
145.04951	4.9
145.10123	25.5
147.08058	4.5
147.11661	25.1
149.09581	6.9
149.13251	21.4
151.11179	5.0
157.10144	7.2
159.11664	18.2
161.13269	15.9
163.14821	5.8
165.12704	4.5
167.07135	3.9
169.10127	5.2
171.11711	11.3
173.13258	15.1
175.14824	9.5
177.12770	4.9
183.06602	4.4
185.13297	8.3
187.11180	3.8
187.14853	9.3
189.16425	6.2
191.14290	5.9
201.07524	3.6
201.16331	4.4
205.15947	6.4
207.13916	5.6
213.16428	4.6
221.19052	4.4
232.82797	3.2
241.19511	17.4
259.20511	39.2
277.21616	40.1
279.54889	3.7
282.23026	3.2
288.62405	3.6
293.21027	3.8
319.22821	3.5
333.24118	10.0
351.25266	57.5
357.25977	3.4
375.25757	3.7
432.14264	4.6
495.29080	5.6
513.30304	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.0
53.33069	4.3
55.01870	10.1
55.05518	24.4
57.03423	12.5
57.07074	8.6
61.02913	14.6
65.03915	4.7
67.05502	94.5
69.03417	17.8
69.07056	32.1
70.03359	11.2
70.03775	12.7
71.04988	8.6
73.02921	11.2
76.68531	5.3
79.05487	93.6
80.63258	4.4
81.03407	7.6
81.07057	81.0
83.04988	8.0
83.08611	15.9
83.68480	4.3
85.02916	19.7
85.06565	6.4
91.03950	11.6
91.05481	94.9
93.07047	100.0
94.09883	3.9
95.04978	12.7
95.08599	70.3
97.02896	18.0
97.06532	12.4
97.10159	5.1
99.08085	9.2
104.10763	6.6
105.06370	8.6
105.07034	91.1
107.04933	7.0
107.08590	50.6
109.06483	8.8
109.10149	30.5
111.08077	5.5
114.89349	4.5
117.07010	37.7
119.08575	77.8
121.06499	7.0
121.10156	56.1
123.08049	13.6
123.11700	10.0
127.03936	6.2
128.06265	7.6
129.06995	22.3
131.08546	39.6
133.10120	61.6
133.36221	5.6
135.08055	13.3
135.11705	37.0
137.09608	8.5
137.13281	5.3
142.07774	7.7
143.08578	15.7
145.10133	37.9
147.08040	5.5
147.11688	42.5
149.09656	13.2
149.13287	22.4
157.10178	25.3
159.03162	4.8
159.11694	38.2
161.13269	58.1
163.11153	10.3
163.14836	17.6
169.10057	5.4
171.11716	32.2
173.13264	26.3
175.11235	9.5
175.14810	38.9
176.02591	4.7
177.12782	9.8
183.11700	9.7
185.13298	17.5
187.14958	7.7
189.12843	10.0
199.14874	11.2
203.14491	5.0
213.16360	8.1
215.18063	6.6
217.19557	8.7
231.20877	7.4
239.18080	5.6
241.19492	45.6
259.20547	51.3
277.21640	16.5
333.24316	12.1
334.96680	5.1
351.25250	70.1
409.37253	4.6
417.26575	7.7
495.29422	10.4
513.35529	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.05515	28.2
56.96555	3.5
57.03426	22.8
57.07051	12.1
65.03929	4.9
67.05505	91.7
69.03401	6.4
69.07067	30.5
71.01354	21.7
71.08621	6.2
71.60603	2.7
73.02911	19.8
75.04488	3.7
75.32039	2.7
79.05500	27.6
81.07053	100.0
83.01383	3.2
83.04992	5.5
83.08618	21.4
84.43082	2.9
85.02902	45.6
88.07636	7.8
91.05486	22.2
93.07042	37.2
95.01327	11.4
95.04958	4.4
95.08601	69.2
97.02891	17.1
97.06519	4.5
97.10190	14.7
99.00776	6.3
99.04472	4.4
99.81664	2.8
101.02374	9.4
102.09148	3.5
103.03921	6.3
105.07019	18.2
107.08562	20.4
109.06504	3.5
109.10149	36.0
111.08051	4.9
113.02382	19.2
117.06992	4.9
119.08568	12.2
121.10135	19.1
123.00796	3.2
123.11717	16.9
125.02340	2.8
131.03394	9.8
133.10138	15.4
135.11696	16.3
137.13203	3.0
141.01799	27.3
147.11681	10.0
149.13219	6.9
151.14772	6.1
159.06491	4.2
161.13261	8.0
163.14796	5.6
169.04987	6.0
172.95245	9.4
175.14870	6.6
179.14426	5.0
179.17839	4.0
180.11317	2.6
187.04102	2.8
187.06007	5.2
190.96350	5.0
210.96736	3.5
215.05467	6.5
228.97807	3.1
245.22629	15.9
252.14841	2.6
256.26376	8.5
263.23666	29.7
270.04538	2.7
283.26276	10.1
284.26599	4.7
302.00360	3.5
305.24905	3.2
337.27365	46.1
351.18130	5.2
357.24039	3.0
365.26764	3.1
379.28366	4.3
449.19632	7.0
495.29300	3.5
512.50214	10.5
513.30145	20.3
513.50745	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03942	4.1
55.01850	2.8
55.05500	9.2
57.03430	4.6
57.07064	2.7
61.02927	15.3
67.05511	22.2
69.03419	11.5
69.07051	11.2
70.73024	5.6
70.73384	5.0
71.04986	3.9
73.02908	5.1
79.05491	33.3
81.07058	30.8
83.04983	4.0
83.08613	4.2
85.02898	12.0
85.06525	4.9
91.03974	4.2
91.05471	25.0
93.07043	41.7
95.04955	8.1
95.08604	21.5
97.02862	7.4
97.06518	3.9
99.04443	4.7
105.07043	34.1
107.04925	3.5
107.08600	26.4
109.10172	12.0
117.07027	9.5
119.08577	34.4
121.10137	24.9
129.07014	5.4
131.08560	16.9
133.10135	25.3
135.07991	3.1
135.11696	24.2
137.06007	2.7
137.09590	3.4
143.08568	5.5
145.10132	12.3
147.11708	29.4
149.13301	14.2
157.10123	7.6
159.11639	14.0
161.09732	3.1
161.13254	21.8
163.14841	7.8
171.11743	7.6
173.13268	9.2
175.11142	3.7
175.14821	12.6
185.13237	7.2
197.13268	3.2
199.14894	5.3
231.21184	3.3
241.19490	21.7
254.61368	3.2
259.20557	48.8
271.20633	3.4
277.21591	9.9
333.24240	8.2
349.23837	2.6
351.25290	100.0
352.25699	4.6
367.22940	3.1
441.26331	5.1
459.27243	3.6
477.28314	4.5
495.29813	5.4
513.32397	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08008	2.9
53.03939	3.7
55.05507	7.2
57.03431	5.0
61.02926	16.8
67.05510	24.5
69.03428	5.3
69.07060	6.3
71.04998	3.2
71.30099	4.0
71.30431	2.3
73.02917	3.2
79.05492	27.9
81.03398	3.6
81.07056	31.3
83.05000	2.8
83.08627	3.8
85.02897	9.3
91.03947	5.8
91.05483	23.8
93.07046	34.5
95.04940	4.2
95.08595	18.9
97.02876	8.5
97.10186	3.3
99.08121	3.5
105.07022	25.2
105.70381	2.3
107.08590	20.9
109.10139	8.0
117.07003	7.0
119.08580	27.5
121.10141	25.5
127.03950	3.2
129.06992	3.6
131.08522	15.1
133.10149	23.2
135.11673	19.4
140.46361	2.5
143.08551	7.0
145.10106	14.8
147.11676	22.0
149.13264	12.8
157.10045	5.7
159.11697	10.2
161.13246	15.0
162.56139	2.8
163.14825	5.6
171.11726	9.5
173.13258	6.0
175.14824	8.2
185.13266	5.1
213.16434	3.2
229.65776	2.8
241.19443	14.4
259.20538	43.0
277.21674	12.3
333.24295	5.9
351.25275	100.0
363.24841	3.7
367.22501	4.2
368.62762	2.7
441.26309	5.5
477.28497	3.2
495.13776	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01838	8.6
55.05505	16.6
56.96568	11.3
67.05492	35.9
69.03426	27.6
69.07065	17.4
71.04999	13.4
79.05486	19.8
81.03399	24.5
81.07047	57.9
83.04980	14.3
83.08613	12.5
85.02894	35.9
88.67275	10.7
91.05479	25.2
93.07030	30.0
93.60785	9.7
95.04964	20.0
95.08609	60.9
97.02891	13.0
97.06515	24.6
105.07022	30.8
107.08622	11.6
109.02860	20.5
109.10109	12.1
116.98566	10.6
119.08566	24.6
121.06464	8.3
121.10105	14.0
123.08086	10.3
127.03897	38.3
131.08543	10.6
133.10146	19.4
135.11673	8.1
137.02338	100.0
145.10182	12.9
151.07556	10.9
161.13202	28.4
171.11612	12.2
179.14323	22.4
182.51219	9.3
217.48386	8.9
297.71249	8.7
305.17526	14.7
323.18451	41.9
351.21631	11.1
495.15936	9.3
513.26593	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.05507	6.4
55.06457	2.2
57.03428	8.3
57.77371	2.2
61.02930	14.2
67.05511	18.9
69.03419	6.6
69.07057	8.2
70.22871	7.8
73.02913	5.6
77.38114	2.2
79.05499	31.7
81.07062	23.2
83.08618	3.9
85.02912	16.6
88.76935	2.4
91.03965	6.2
91.05485	23.5
93.07053	35.4
95.04955	5.9
95.08597	24.9
97.02875	10.8
97.06550	3.6
98.21437	4.0
105.07027	28.2
106.47601	2.4
107.08586	23.3
109.10148	10.5
117.07011	9.4
119.08568	25.5
121.10159	26.4
127.04028	2.4
129.06995	5.3
131.08551	12.8
133.10129	26.3
135.11713	23.2
141.06911	2.3
143.08546	7.3
145.10124	15.0
147.11691	27.6
149.13248	12.3
157.10088	5.9
159.11687	9.8
161.13255	17.1
163.14726	3.5
167.99927	2.3
171.11719	8.6
173.13231	7.8
175.14824	8.4
178.88733	2.4
185.13263	6.4
199.14987	3.1
213.16444	3.4
241.19533	21.7
259.20578	44.6
277.21689	6.7
333.24200	6.4
349.23929	4.8
351.25272	100.0
351.29578	5.9
383.17850	2.4
421.79138	2.6
430.42221	2.6
459.27994	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66382	1.1
53.03943	6.0
55.01866	2.7
55.05510	4.0
56.39551	1.2
56.96563	4.0
57.03432	1.9
57.72920	1.2
64.04104	1.3
67.05495	2.7
68.99793	1.5
69.03429	13.4
69.07069	3.0
69.48707	2.7
69.49124	7.4
71.04987	3.0
73.02897	1.9
79.05489	4.0
81.03417	14.4
81.07051	11.0
83.04977	5.8
83.08569	1.3
85.02905	21.1
85.06580	1.4
87.00835	10.5
91.05485	13.1
93.07042	8.3
95.04970	5.8
95.08615	4.5
96.98343	1.3
97.02897	14.8
97.06524	1.3
98.20815	3.3
99.04459	5.8
101.06039	2.0
103.05455	1.9
105.01886	7.9
105.07026	21.2
107.04948	2.3
107.08597	5.7
109.02872	20.4
109.06506	3.1
109.10198	2.7
111.04485	1.3
115.05456	1.9
117.07019	13.8
119.04926	1.3
119.08572	18.4
121.06499	3.7
121.10138	3.0
123.08153	1.8
123.11742	1.7
124.07630	1.3
127.03921	20.9
128.06265	3.4
129.07002	3.8
130.07823	2.4
131.08565	58.7
133.06438	1.7
133.10123	7.2
135.08051	2.3
135.11699	3.7
139.07671	1.3
143.08549	36.0
145.04950	5.7
145.10123	100.0
147.08054	1.6
147.11699	5.7
149.05998	2.4
149.09648	2.5
155.08539	6.1
157.10106	4.1
159.02908	4.9
159.11716	2.3
161.09637	2.4
163.07541	3.9
163.11153	4.7
165.12767	9.8
167.08527	2.0
169.10121	4.0
171.11667	4.9
173.09669	4.7
173.13269	84.5
175.14856	4.2
177.09126	3.8
181.10133	3.4
183.11726	12.4
187.11110	2.1
189.12726	2.6
191.10675	5.6
191.14331	1.5
193.10149	4.5
197.13298	2.0
199.11176	2.5
201.12668	9.1
203.14244	1.7
205.15900	2.0
207.11852	1.4
211.11258	1.6
213.04131	1.8
217.12209	1.6
219.13797	63.5
229.12209	9.8
231.05029	4.5
239.09683	1.4
241.11766	1.2
247.13210	9.6
247.16954	16.6
265.14355	5.1
265.18036	16.0
279.61792	1.6
283.08307	1.4
309.14990	2.3
495.17807	1.7
513.17365	1.7
513.26178	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	11.3
67.05492	2.2
69.03387	1.4
70.06581	1.5
71.07060	1.3
71.07385	2.6
71.85030	1.2
71.95258	1.3
72.08129	1.2
81.03417	1.9
84.08134	1.5
84.96020	6.9
85.02885	3.8
86.09696	2.4
92.40828	1.1
95.04950	4.7
98.97577	35.3
102.97077	1.6
105.07040	2.4
107.04917	3.7
107.56458	1.2
110.97590	2.1
112.99122	2.2
116.98623	31.2
121.06544	1.2
127.03909	1.9
128.98598	5.6
131.00197	8.2
133.10139	2.1
134.99635	14.1
143.00168	1.2
146.99614	6.5
149.01277	6.2
158.99643	8.2
163.30777	1.1
166.05058	1.3
173.01263	3.6
177.00720	13.6
189.00629	2.5
191.02260	6.0
191.14355	2.8
195.01740	1.7
201.00761	2.9
213.08063	1.7
219.01735	7.4
221.08453	2.4
231.80623	1.3
237.02733	13.8
239.09546	5.0
247.09886	1.4
255.03879	1.4
257.10748	2.4
263.09503	1.4
265.11179	5.7
283.12033	5.9
289.11081	6.7
293.10611	2.0
299.11807	1.4
301.13162	3.0
307.12167	15.7
311.11710	2.0
318.97168	1.6
325.13162	12.7
343.14175	5.6
349.13321	1.3
367.14285	4.1
376.19110	1.3
385.15350	1.7
409.15341	3.0
427.16354	39.0
445.17447	36.8
460.77600	1.4
468.19009	2.2
469.17764	17.9
487.18576	10.3
495.16974	3.8
513.17371	100.0
514.17517	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07070	17.6
58.06596	1.9
67.05490	2.4
69.07058	2.7
69.28709	6.0
70.06590	15.4
70.07171	0.6
71.08624	9.7
73.02894	1.4
79.05499	0.7
81.07043	3.2
83.08622	1.8
85.10168	4.0
88.07629	19.4
89.06033	0.9
95.08595	3.3
97.10158	0.8
97.87647	0.5
98.21477	1.0
102.09171	13.9
106.08691	1.1
109.10139	0.9
111.11760	0.7
177.11201	0.6
224.86639	0.6
228.23221	4.0
230.24805	0.6
256.26334	44.4
257.26712	0.9
274.27353	4.0
283.26297	46.1
311.29431	4.0
367.16226	0.5
512.50342	100.0
513.50800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08499	0.8
53.03940	2.5
54.61712	0.8
55.01871	2.3
55.05513	1.9
56.96557	1.0
57.03429	1.8
61.02910	1.2
62.06076	2.7
65.03936	0.9
67.05511	4.4
69.03430	9.2
70.51790	0.8
71.04977	1.7
71.13430	1.6
73.02910	1.7
79.05489	6.3
81.03415	10.2
81.07047	7.3
83.08591	1.0
84.48380	0.9
85.02419	1.2
85.02901	15.4
87.00812	8.1
91.05473	10.8
93.07029	6.7
95.04971	3.6
95.08631	1.9
97.02901	8.5
97.06535	1.0
99.04464	3.2
103.05440	2.0
105.01857	7.4
105.07019	14.5
107.04969	3.0
107.08581	3.4
109.02885	16.6
115.05454	2.2
117.07003	6.0
119.04942	1.2
119.08566	6.3
121.06499	2.8
123.04395	2.0
126.98716	0.8
127.03912	22.4
127.04792	1.6
128.06221	5.1
129.07008	11.1
131.04932	0.9
131.08551	10.1
133.06516	1.9
133.10126	0.8
135.04427	2.7
135.08072	1.2
137.05949	1.5
141.06970	10.8
142.07776	6.3
143.08554	13.6
144.09349	1.0
145.04935	3.8
145.06494	3.2
145.10095	4.7
147.08046	1.3
149.01196	1.2
149.05977	4.3
150.58795	0.8
151.07539	1.4
152.83044	0.9
153.06989	6.3
154.07765	2.0
155.08536	23.1
157.10117	21.0
158.07297	1.0
159.02875	3.3
159.04373	1.1
159.08063	2.6
159.11713	2.6
161.06049	1.5
163.07483	1.2
163.87346	0.9
165.07007	2.2
166.07808	2.5
167.08549	3.6
168.09352	14.4
169.06467	1.6
169.10120	3.8
171.08032	2.4
171.11725	1.5
173.05995	2.5
173.09595	2.7
173.13254	2.2
175.07538	1.1
178.07793	2.9
179.08546	0.8
181.06490	1.3
181.10107	7.2
182.07214	0.9
183.08131	2.3
183.11693	39.5
185.09624	1.3
185.13184	2.1
187.07596	3.7
187.11212	1.6
193.10136	13.9
195.11652	1.1
196.08801	1.9
199.11191	3.7
201.09120	11.0
201.12755	9.3
207.11678	1.1
211.11198	16.0
213.03929	6.4
215.10736	0.9
225.12749	1.4
227.10786	2.0
229.12224	100.0
231.05066	6.6
245.10513	2.4
247.13321	5.8
253.12192	1.1
271.12390	1.6
291.13593	1.1
315.12360	1.0
337.14420	2.1
355.15292	3.9
441.15430	2.6
459.16348	6.2
477.17679	2.6
489.20563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13525	8.2
54.46006	7.9
55.01865	12.5
55.05507	43.8
57.03432	18.6
61.02908	43.1
66.31671	8.8
67.05510	63.1
69.03409	31.4
69.07047	12.5
70.44894	27.5
70.45240	15.3
70.96510	8.4
71.04961	9.1
75.74612	8.0
79.05502	82.7
81.03398	32.5
81.07042	35.4
83.04977	32.3
83.08640	16.4
85.02899	42.7
91.03935	20.1
91.05479	51.2
93.07041	43.2
95.04969	16.2
95.08585	35.5
97.02878	24.5
97.10155	22.3
98.33520	10.5
105.07029	53.4
107.04935	29.1
107.08580	69.5
109.10155	28.0
117.07030	15.2
119.08563	39.7
121.10147	27.4
123.11700	11.7
125.09641	11.3
127.03889	15.5
131.08554	21.9
133.10170	45.2
135.08034	16.0
145.10091	24.3
147.11681	24.0
149.09618	60.9
159.11679	12.1
213.41220	9.3
229.19435	14.7
257.19177	20.1
275.20078	100.0
317.46292	11.3
349.23755	48.9
384.75302	10.2
405.45795	9.2
529.54224	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01871	2.4
55.05512	5.8
56.96571	1.1
57.03437	13.0
61.02926	18.8
67.05507	13.0
69.03432	9.3
69.07063	4.8
69.45846	2.1
69.46236	9.3
71.04977	1.3
73.02917	8.0
79.05497	15.9
81.03416	6.7
81.07059	15.6
83.04993	2.4
83.08609	2.5
85.02905	15.3
85.06537	3.0
91.03951	9.0
91.05479	24.5
93.07048	18.4
95.04959	4.8
95.08614	10.4
97.02888	10.9
97.06542	1.5
99.04456	6.3
101.02375	4.2
103.03932	1.6
105.06384	1.4
105.07033	16.6
107.04964	2.8
107.08595	11.0
109.02866	4.4
109.06497	2.9
109.10158	5.2
111.08061	2.3
115.03857	1.4
117.07014	9.6
119.08574	16.6
121.06499	2.5
121.10159	5.9
123.08085	1.8
127.03927	6.5
129.06987	2.1
131.08571	13.0
133.10132	9.8
135.08043	1.7
135.11707	4.8
137.09627	1.5
143.08536	2.4
145.10121	7.6
147.11674	4.2
149.09654	1.9
153.12778	1.5
155.07086	1.1
155.08615	0.9
157.10100	2.0
159.11685	4.9
161.13240	2.2
169.10191	1.3
173.13255	3.0
175.14796	1.6
185.13268	3.7
201.07762	0.9
201.16437	5.2
203.14354	4.0
209.15353	1.5
219.17444	100.0
257.19006	2.9
264.08606	1.1
275.20062	17.1
275.22772	1.7
320.25864	1.1
349.23730	14.6
493.28046	1.6
511.28976	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	9.3
68.05033	11.2
69.03423	17.2
70.06581	38.0
70.76858	17.6
70.77198	19.1
75.35021	8.4
79.05457	10.3
81.07066	12.6
84.08118	9.0
84.20029	8.1
85.02910	16.5
85.21230	9.6
87.05592	91.1
91.05492	32.7
92.06561	8.6
93.07040	9.4
95.08588	12.5
96.04494	30.4
98.21516	8.7
105.07040	54.3
114.05552	11.4
117.07037	20.2
127.03954	10.7
128.06235	14.1
129.07010	24.7
131.08562	30.9
134.49986	9.0
139.33598	8.6
140.03426	10.5
142.04994	17.9
143.08578	68.7
145.10114	100.0
147.11671	18.2
155.08566	13.2
157.10141	16.2
169.10098	19.7
171.11688	93.5
181.10167	21.9
191.10648	12.7
196.08917	9.4
197.09648	10.5
199.11179	52.9
202.41714	8.2
217.12219	63.1
227.82002	9.6
242.15442	27.3
243.10103	8.7
245.11673	25.8
280.96643	9.2
288.15930	10.1
292.15240	24.6
304.15472	20.3
305.18604	37.9
305.21893	12.7
306.16928	9.4
315.63971	10.2
316.14566	8.6
332.14798	19.3
349.17468	59.4
349.21042	48.6
508.06940	10.0
511.26047	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
53.67004	1.2
53.89949	1.2
55.01867	2.6
55.05513	2.5
57.03435	1.6
67.05506	1.4
69.03442	7.0
71.04996	1.5
71.60003	1.7
79.05487	5.8
81.03421	7.6
81.07067	6.0
85.02905	11.2
87.00823	6.4
91.05482	10.1
93.07051	3.8
94.50351	1.1
95.04943	1.3
95.08565	1.1
97.02888	10.1
99.04444	2.3
103.05458	2.1
104.41197	1.0
105.01884	4.3
105.07027	17.9
107.04955	1.6
109.02882	13.5
115.05455	5.1
117.07008	9.7
119.04946	1.4
119.08595	4.3
123.04485	1.5
127.03934	14.1
128.06221	11.4
129.07002	23.3
129.07915	2.2
130.07774	1.7
131.08580	14.6
133.06485	1.5
141.06958	5.5
142.07782	5.8
143.08557	47.5
145.04959	1.7
145.06561	2.1
145.10121	19.0
149.06020	1.7
153.07010	2.3
154.07768	2.4
155.08578	5.6
156.09366	11.6
157.10130	6.5
159.02957	1.4
161.06006	4.8
165.07048	2.9
166.07819	5.7
167.08568	3.7
168.09413	1.4
169.10104	7.4
171.11693	100.0
173.13309	4.5
175.07578	3.9
179.08586	1.5
181.10117	15.6
183.08025	2.0
183.11717	2.3
184.08784	1.8
189.03947	1.6
189.09113	1.9
189.12709	1.6
193.10143	1.8
197.09695	4.3
199.11189	43.7
207.11606	1.9
211.11166	1.3
213.03877	2.1
214.63486	1.3
215.10646	3.0
217.12241	88.2
223.11128	1.3
227.10576	7.1
231.05037	1.8
235.11145	2.1
241.12202	2.4
245.11723	24.1
250.92651	1.1
253.12225	1.4
259.13220	1.3
261.12976	1.5
263.12793	3.7
265.12082	1.3
279.13568	1.2
289.12366	1.8
307.13315	1.8
335.13116	1.7
346.19620	1.2
353.13928	1.3
407.17221	1.4
429.15311	2.5
447.16156	3.0
458.50421	1.2
475.15991	1.2
493.16693	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
63.38624	1.0
69.03403	1.4
71.58607	1.4
73.02921	1.0
85.02900	2.4
97.02914	1.1
102.04041	3.2
118.03558	4.8
119.01929	5.5
120.05042	1.5
127.03893	1.4
131.01913	1.9
136.04591	5.2
141.05089	6.5
143.01921	4.1
143.06606	5.0
144.05058	1.7
145.03444	3.1
155.01904	2.3
157.03555	1.0
159.06163	11.7
160.04572	1.6
161.02982	6.0
161.07701	12.6
167.01932	0.9
168.95676	1.5
169.04601	1.3
173.02937	6.0
178.04863	1.4
184.04570	1.9
185.02971	11.9
186.96783	2.5
187.05658	40.8
191.03902	1.0
196.04552	2.4
197.02934	5.0
203.04027	2.8
205.04828	2.0
205.06721	31.2
211.05624	6.3
212.04016	1.3
215.04027	2.2
223.05791	1.1
227.04033	2.6
228.97896	2.3
229.06688	100.0
230.04967	4.8
230.07069	1.1
241.06685	22.9
242.05000	1.3
245.05083	21.7
247.07622	1.2
250.07381	1.2
253.06714	6.6
257.05121	1.7
259.07724	10.9
263.06082	2.6
265.06699	2.2
271.07767	2.6
275.05862	1.4
283.07697	1.8
289.08813	20.9
305.07394	1.7
313.08600	1.6
331.01270	2.3
331.09830	20.6
340.10126	1.6
349.10941	13.7
365.09146	1.2
391.11597	1.6
511.09656	8.9
511.17120	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	511.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46574	2.5
55.01879	2.7
55.05488	4.4
56.96563	32.3
63.26279	2.7
67.05496	5.9
69.03419	8.2
69.07072	6.7
69.59013	5.2
69.59426	18.0
70.06578	8.9
71.04983	2.9
79.05489	4.7
81.03408	8.3
81.07039	8.8
84.96015	5.0
85.02907	14.1
85.06528	3.2
91.05434	4.2
93.07024	8.6
95.04953	6.0
95.08603	6.6
97.02869	3.9
97.06506	5.3
98.97581	44.1
105.07023	7.5
107.04936	5.2
107.08599	6.8
109.02864	3.6
109.06482	3.4
109.10196	6.2
116.98609	36.1
119.08590	4.6
121.10121	7.4
123.08074	4.3
127.03861	7.3
131.00162	3.4
131.08528	4.9
133.10156	4.5
134.99666	24.7
135.11635	6.0
140.64513	3.3
143.00090	3.1
145.01668	4.3
145.06506	2.9
145.10156	3.8
146.99617	4.8
147.11682	6.1
148.06635	2.9
149.01190	4.1
149.09579	8.4
151.07600	6.1
157.01712	5.2
158.99673	9.7
161.01199	5.1
162.99127	2.6
163.11166	3.7
164.11620	3.3
175.02795	9.2
177.00735	15.8
197.04887	5.4
205.05423	3.8
213.07829	3.9
215.05847	4.1
219.01678	4.5
223.06390	7.5
227.12744	5.9
228.13068	6.3
231.13950	3.5
237.02815	9.8
237.08107	5.7
239.09554	12.6
241.07286	6.3
245.08508	3.5
255.08838	4.4
257.10587	11.8
263.09531	23.9
265.07712	3.2
279.09506	4.1
281.10623	49.7
299.11557	3.8
305.10559	67.4
323.11569	33.9
365.12634	12.8
425.14789	100.0
443.15872	15.8
467.15802	8.1
511.16144	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27558	4.4
55.05506	8.4
57.03419	6.8
57.07071	56.9
64.43291	4.1
67.05499	18.0
69.07065	12.1
70.77962	5.4
70.78333	13.0
71.08631	45.6
81.03441	4.7
81.07040	29.2
83.08623	24.9
85.02894	11.9
85.10170	36.6
85.13586	4.2
88.17272	4.1
91.05505	4.7
95.08596	40.5
97.02868	7.8
97.10185	9.5
109.10133	20.6
115.39108	4.5
123.11703	8.2
127.03961	6.2
153.74506	4.4
164.62483	4.6
205.22063	4.7
215.11078	4.7
229.17313	4.1
239.23692	55.2
257.24683	6.6
313.27341	100.0
331.28436	15.3
383.27917	11.9
401.28763	22.5
406.67206	5.5
451.22626	4.6
492.71796	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	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01867	4.2
55.05498	4.9
56.86507	1.3
56.96563	15.6
57.03416	1.9
57.07076	5.0
61.02929	2.0
64.43435	1.1
67.05497	4.9
68.99783	1.3
69.03430	7.0
69.07076	13.9
71.04990	3.8
71.08616	4.6
71.23116	1.2
71.49564	2.7
73.02908	4.6
73.27452	1.2
79.05488	6.1
81.03420	6.5
81.07050	20.4
83.04974	3.7
83.08617	4.5
85.02910	28.6
85.06539	3.9
85.10185	3.0
87.00817	4.7
91.05473	5.9
93.07034	7.4
95.04896	1.3
95.08611	9.1
97.02917	6.8
97.06533	3.6
97.10144	1.4
98.97606	2.1
99.04446	4.7
99.08067	1.8
101.02390	7.4
101.06016	1.4
105.01820	3.7
105.07011	12.1
107.08607	10.0
109.02884	4.5
109.06507	5.3
109.10167	2.1
111.08109	2.5
115.07544	1.7
116.98601	1.5
117.01863	1.5
117.07022	3.0
119.08571	8.4
120.08113	1.7
121.10123	11.0
123.08085	3.5
123.11703	22.2
127.03894	6.2
127.07570	4.6
128.06181	1.9
129.07004	4.5
131.08582	6.2
133.10095	2.9
137.13313	1.3
141.09029	1.6
143.08549	4.1
144.02553	2.3
144.08817	1.3
145.04910	2.5
145.10112	3.7
147.11688	31.8
150.09103	2.8
155.14328	6.8
156.06174	2.0
158.99754	1.8
159.02901	3.5
163.03911	10.0
165.12758	17.4
171.11661	8.1
173.09547	1.2
173.13300	4.9
173.49539	1.2
176.32439	1.4
177.36398	1.2
183.13814	83.4
199.11249	3.0
201.13010	3.4
201.14851	100.0
201.22958	1.2
202.15268	1.6
216.04161	2.4
217.12132	6.3
219.01822	1.9
219.13782	2.6
226.07343	1.7
227.16475	1.5
229.03705	1.7
235.08089	3.5
245.11690	1.9
246.58821	2.0
248.06940	2.2
252.81297	1.4
269.03363	2.6
287.05496	2.8
288.05756	2.6
289.05167	1.6
290.05951	1.4
293.10544	2.7
311.11615	3.0
337.09512	3.9
367.94598	1.5
453.20215	1.5
469.15286	1.6
495.13101	3.9
502.77087	1.5
510.11209	4.6
510.24631	1.8
511.21729	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3544
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07069	4.4
60.08166	18.8
71.07375	5.5
71.08622	2.9
71.59763	1.8
79.31290	1.0
81.07058	1.7
86.09705	48.1
95.08651	1.1
95.45323	1.0
97.10122	1.4
98.98465	2.8
104.10741	96.8
120.59426	1.0
125.00003	23.8
126.55013	1.1
143.00990	1.1
184.07341	100.0
233.52063	1.1
239.23639	1.1
281.51447	1.2
303.17883	1.1
313.27429	3.5
327.29007	2.2
492.15604	1.3
492.34491	11.4
510.35535	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	510.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86983	0.7
53.03936	1.7
55.01863	7.4
55.05510	1.4
57.03429	2.3
61.02920	1.1
67.05489	2.7
68.99785	0.8
69.03427	8.0
69.07065	5.1
69.44440	6.5
70.06584	2.0
71.04976	1.8
72.08138	0.7
73.02907	2.6
79.05487	3.1
80.34734	0.6
81.03412	6.4
81.07050	5.3
83.04984	1.0
85.02901	14.2
85.06537	3.7
86.09708	2.0
87.00835	3.8
89.07193	0.7
91.03944	0.7
91.05499	1.6
93.07040	6.8
94.60789	0.9
95.04946	1.3
95.08595	5.6
97.02888	7.1
97.06529	5.4
99.04458	4.9
102.05611	0.7
105.01862	3.0
105.07043	5.9
107.04946	1.1
107.08592	22.2
109.02876	4.5
109.06506	2.7
111.08088	1.1
113.06009	2.4
117.01857	0.7
117.07018	1.4
119.08591	2.3
120.08125	0.9
121.06524	4.1
121.10151	6.3
123.08012	3.3
127.03909	7.8
129.01782	1.1
131.08549	0.9
133.59850	0.8
135.08026	2.4
135.11662	4.3
139.11192	1.1
140.06984	1.0
145.04980	3.0
145.10114	5.9
147.11720	0.8
149.09616	2.4
151.07587	4.1
153.12761	1.2
159.02876	2.7
163.11189	16.2
165.12822	0.9
167.10687	6.4
168.06546	1.5
169.08600	52.4
173.09613	1.1
181.12222	11.2
185.11729	3.0
186.07494	0.7
191.10660	7.1
209.11722	10.1
216.25047	0.7
227.12778	100.0
228.13124	0.9
245.13924	4.3
362.47815	0.8
463.65280	0.9
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
53.61266	2.1
55.05519	12.0
57.03434	8.9
59.46152	2.5
67.05502	35.1
69.07064	14.5
69.86420	9.0
69.86827	4.4
79.05501	7.6
81.03358	2.7
81.07053	33.8
83.08618	7.7
91.05495	6.4
93.07042	12.3
95.04946	2.8
95.08591	22.9
97.10195	5.2
98.20831	4.7
98.98464	43.1
104.10712	2.4
105.07027	3.2
107.08597	7.9
109.10164	5.8
119.08562	5.8
121.10131	5.5
123.11696	3.8
133.10126	5.1
136.18846	2.7
146.72633	2.7
147.11667	4.7
149.13251	3.4
155.01047	6.8
163.28563	2.3
173.02138	7.7
240.76357	2.4
263.23642	4.8
337.27356	100.0
357.15054	2.5
357.19547	2.2
473.26740	3.1
509.33746	3.2
537.72791	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
54.89831	0.8
55.01873	8.5
55.05495	0.9
57.03433	2.6
59.04417	0.8
60.04529	1.8
61.02908	1.1
67.05505	2.7
69.03120	1.2
69.03433	12.0
69.07079	5.4
70.06590	6.0
71.04982	3.1
71.60113	1.8
72.08160	1.6
73.02934	1.3
79.05469	4.4
81.03417	8.2
81.07052	5.6
83.04976	1.2
83.32737	1.1
84.08158	2.0
85.02416	1.6
85.02903	17.4
85.06542	3.9
86.09721	5.1
87.00838	5.4
91.05486	3.2
93.07046	9.9
95.04955	3.5
95.08594	7.7
97.02894	9.4
97.06516	6.7
99.04451	8.5
105.01855	3.6
105.07036	7.6
107.04938	1.9
107.08598	23.7
109.02878	6.7
109.06543	5.4
109.10143	1.8
109.71922	0.9
110.07167	1.2
110.60636	0.8
111.08080	1.1
113.06006	3.4
119.08581	2.0
120.08096	3.9
121.06508	4.4
121.10143	8.5
123.08045	4.4
127.03924	11.2
129.01918	0.9
131.08501	1.4
135.08047	2.0
135.11681	4.1
137.05977	3.3
139.11217	1.1
143.08633	1.4
145.04951	3.0
145.10114	7.2
147.04413	1.1
147.11644	1.0
149.09656	4.3
151.07558	5.0
159.02922	3.0
161.05927	1.1
163.03888	2.1
163.11171	18.6
165.12811	1.0
167.07034	1.2
167.10678	8.3
169.08603	63.6
173.09612	1.4
181.12247	12.3
184.07343	1.2
185.11734	3.7
191.10686	7.4
202.13368	1.0
209.11760	11.2
217.98019	0.9
227.12787	100.0
245.13841	6.1
274.05551	1.2
510.28412	1.6
536.53412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22622	0.8
57.93047	0.8
67.05495	1.1
69.07040	1.1
69.39497	3.9
69.39922	3.4
81.07031	1.5
91.05530	1.0
93.07032	1.8
95.08588	1.0
105.07002	1.1
107.08582	1.2
119.08624	0.7
124.00694	0.8
135.42000	0.8
151.93796	0.8
203.05293	2.4
227.05215	1.0
239.67580	0.8
243.04839	2.3
245.06287	8.8
245.61833	0.8
246.58849	0.7
257.10669	1.3
261.18262	1.0
271.04169	1.1
287.03738	16.6
287.06931	0.9
289.05295	100.0
423.22885	1.0
465.24585	9.3
491.22495	7.1
509.23572	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04939	1.2
51.71361	1.3
53.03942	2.8
55.01857	2.7
55.05500	5.1
56.96556	1.6
61.02895	1.4
62.58561	1.5
67.05511	8.2
69.03418	5.9
69.07062	5.4
70.57760	1.6
71.60352	2.0
73.02914	1.8
79.05497	7.0
81.03416	9.3
81.07046	19.2
83.04949	2.4
83.08609	2.8
85.02892	13.3
87.00809	6.0
90.62686	1.6
91.05470	6.4
93.07054	10.6
95.04967	1.7
95.08600	19.5
96.47020	1.5
96.63163	1.4
97.02882	5.3
97.10181	2.8
99.04421	3.0
105.01859	4.4
105.07036	13.3
107.08587	18.7
109.02890	7.7
109.10132	8.4
116.98611	1.7
117.01862	1.3
117.07018	4.2
119.08584	22.4
121.10142	12.6
123.11671	3.7
127.03917	10.1
129.01888	1.7
131.08554	6.1
133.10144	9.1
135.11697	10.1
142.07736	1.5
142.51506	1.4
145.04962	4.2
145.10118	9.4
147.11687	23.1
149.13249	12.3
159.02905	2.6
159.11668	9.5
161.13255	9.7
163.14825	4.0
163.55299	1.5
173.13219	10.1
175.14720	2.2
182.62315	1.6
183.08095	1.5
187.14793	8.6
201.16406	4.9
203.20804	1.4
204.71187	1.4
231.04961	2.1
243.21069	100.0
244.21469	1.7
251.62425	1.4
261.22128	2.6
446.83771	1.9
459.31174	1.5
509.23431	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16883	1.4
70.06566	2.5
70.63806	3.6
74.02473	1.6
78.41184	1.4
85.02886	2.3
89.42303	1.5
103.05461	6.1
107.04961	2.2
119.66526	1.5
120.08099	100.0
131.04875	2.4
138.65794	1.6
166.08641	61.5
277.24316	1.6
347.13263	1.7
347.67194	1.8
357.03540	2.0
499.56369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
59.04978	0.5
67.05464	0.9
70.14069	0.8
70.14471	0.5
77.91866	0.3
79.05486	1.6
80.44431	0.2
81.07053	3.9
83.08585	0.4
90.81687	0.3
91.05458	0.7
93.07010	1.1
95.04932	0.4
95.08547	1.1
105.06977	0.6
107.04899	0.3
107.07880	0.3
107.08585	4.9
109.10149	0.4
119.01883	0.9
121.10117	0.7
133.10088	0.6
137.05931	1.3
147.11623	1.0
152.12086	0.3
157.03439	0.4
161.02924	0.7
163.14806	1.6
167.03239	0.4
175.04456	0.3
175.07581	0.3
185.04169	0.4
187.00749	0.6
203.05321	1.4
203.17950	0.7
218.27512	0.3
227.05276	0.6
229.01904	0.4
243.17110	0.6
244.31781	0.3
245.06334	4.1
249.88159	0.3
271.04257	1.2
289.05283	100.0
290.05603	0.8
345.28085	0.3
370.69638	0.3
391.01306	0.3
417.66415	0.3
465.24603	1.2
509.23587	40.7
510.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03947	4.1
55.01862	2.9
55.05509	26.6
57.03431	7.3
57.07071	4.5
59.05005	3.0
65.03925	3.0
67.05501	100.0
67.99158	1.9
69.07063	20.2
70.73081	3.8
70.73444	4.1
71.04984	4.8
76.43638	1.7
79.05490	29.8
81.06572	3.9
81.07051	66.9
83.04980	2.3
83.08617	19.5
85.06522	4.7
91.05476	23.2
93.07047	35.2
95.04984	4.1
95.08603	43.4
97.06516	4.2
97.10175	17.4
99.08129	1.7
105.07033	17.5
107.08588	26.3
109.06477	2.7
109.10149	62.7
111.08080	4.6
111.11673	1.7
117.07014	8.0
119.08577	18.6
121.10123	19.2
123.11671	9.0
125.09612	11.3
129.07021	2.6
131.08577	12.9
133.10123	11.4
135.11639	10.3
137.09665	3.5
137.13297	3.4
139.11131	3.2
143.08504	3.3
145.10139	9.6
147.11659	7.5
149.13254	9.4
151.11113	2.2
157.10129	2.8
159.11740	8.4
161.13266	6.4
173.11731	17.6
173.13268	6.5
175.14716	2.5
178.21603	1.7
185.13266	2.2
187.14784	3.9
189.11209	7.1
199.14862	2.4
227.12798	9.9
229.14308	27.2
233.47270	1.7
243.21021	5.2
259.20544	3.7
261.22137	23.6
279.23199	2.6
297.50296	1.6
317.24713	6.0
335.25781	20.3
379.29858	3.8
397.31088	7.9
415.31989	7.9
433.33194	5.7
471.34750	3.7
489.35733	38.3
499.80109	2.0
507.27292	5.7
507.36743	29.2
529.49414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34677	1.4
53.03940	3.6
54.90830	1.4
55.01861	3.2
55.05507	23.6
57.03434	6.9
57.07068	7.8
59.05017	1.6
63.63976	1.4
65.03942	2.8
67.05501	100.0
67.60419	1.4
69.07058	16.5
69.99498	7.5
71.04974	4.4
71.08617	4.3
79.05492	29.6
81.03417	4.7
81.07053	64.8
83.04987	5.3
83.08617	17.4
85.06533	4.3
91.05472	25.1
91.06010	2.3
91.31538	1.5
93.07037	36.6
95.04980	3.1
95.08601	50.3
97.06537	3.8
97.10146	15.2
98.21531	1.8
105.07027	19.2
105.31847	1.4
107.08588	30.0
109.06541	2.2
109.10146	52.9
111.08077	3.9
111.11698	1.9
117.07011	9.0
119.08587	23.4
121.10130	17.3
123.08073	1.7
123.11681	8.9
125.09633	11.8
129.06999	4.1
131.08577	15.2
133.10109	16.7
135.08104	2.2
135.11676	13.7
137.09569	3.4
137.13170	2.3
145.10123	10.3
147.11670	10.4
149.09622	2.1
149.13280	5.4
157.10120	3.7
159.11697	9.3
161.13292	5.6
162.26768	1.5
163.14790	3.6
171.11658	2.8
173.11737	13.1
173.13251	8.3
175.14793	2.0
177.12756	1.9
185.13237	3.5
187.14813	3.6
189.11177	11.1
193.12289	2.4
197.13263	2.2
199.14804	2.2
201.16159	1.8
227.12752	9.6
229.14348	26.8
231.15927	2.1
234.13376	1.6
241.19518	1.8
243.21123	2.7
259.20529	2.2
261.22076	24.8
275.20065	4.3
289.21478	1.6
303.23111	2.4
317.10635	1.8
317.24689	2.9
335.25729	18.7
356.48825	1.7
357.04715	1.6
379.30176	3.5
381.41104	1.9
397.31100	9.1
415.32214	8.3
433.33124	8.2
471.34555	4.5
489.35806	42.4
507.27890	4.8
507.36392	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	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.96873	1.8
55.01854	2.2
55.05259	2.3
55.05510	28.3
57.03431	7.6
57.07061	5.1
59.04992	3.1
60.98831	1.4
63.06940	1.6
65.03933	3.5
67.05504	100.0
69.03432	1.9
69.07070	17.5
69.27390	9.3
69.27827	8.7
71.04986	2.8
71.08606	2.3
79.05053	2.8
79.05489	34.9
81.03398	2.2
81.07053	69.1
83.04970	2.8
83.08607	13.4
85.06529	4.5
91.04956	2.3
91.05479	24.4
93.07044	36.6
95.04958	3.5
95.08044	2.8
95.08607	40.9
97.06516	4.4
97.10155	14.4
98.20724	3.3
99.08095	2.6
105.07025	17.3
107.08597	25.8
109.06517	2.3
109.10153	63.4
111.08038	2.8
117.07008	6.8
119.08570	18.0
121.10139	19.1
123.08025	1.6
123.11701	6.8
125.09630	9.6
129.06966	2.0
131.08578	12.8
133.10135	12.5
135.08070	1.8
135.11708	11.2
137.09599	3.2
137.13286	2.8
139.11154	2.2
143.08563	3.5
145.10129	12.3
147.11716	10.8
149.13235	9.0
149.54016	1.6
155.10666	2.3
157.10115	3.9
159.11661	9.9
161.13264	6.0
163.11217	2.3
163.14816	5.8
170.45674	1.7
171.11688	4.0
173.11728	11.8
173.13260	6.6
175.14754	4.6
183.11670	2.2
185.13210	3.1
187.14822	3.1
189.11240	11.3
189.12660	1.7
191.10789	1.6
195.00301	3.3
199.14764	1.7
205.15947	1.7
227.12817	10.6
229.14352	29.4
231.15843	3.2
243.21048	4.8
259.20569	2.1
261.22192	23.8
263.23557	2.2
289.21707	2.0
291.23157	1.9
317.24838	3.9
335.25790	19.7
379.29776	5.6
397.30878	7.2
403.28973	1.7
415.31799	9.9
433.33176	5.7
471.34613	5.5
489.35776	41.7
507.25821	3.2
507.27536	3.8
507.36606	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	507.3683
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
54.69868	3.4
55.05515	26.3
57.03424	10.3
57.07056	6.3
65.02237	3.1
67.05505	100.0
69.07061	16.8
71.04997	4.5
71.08630	4.6
71.61345	4.5
77.22019	3.2
79.05495	35.9
81.03425	3.8
81.07066	65.4
83.08617	19.9
87.03667	3.2
91.05472	25.1
93.07046	39.2
95.04974	9.1
95.08611	49.8
97.06561	6.4
97.10203	15.2
105.07043	20.8
107.08595	28.6
109.10156	54.6
109.93117	2.8
117.07072	5.3
119.08578	24.6
121.10139	15.0
123.08043	3.5
123.11732	10.5
125.09600	11.7
131.08553	11.0
133.10115	11.0
135.08092	4.8
135.11700	11.7
142.48526	3.6
145.10133	14.9
147.11710	8.8
149.13271	5.3
157.10155	5.5
159.11705	6.1
161.13242	6.1
173.11734	10.8
173.13266	12.1
185.13228	3.2
187.14748	4.0
188.10820	4.0
189.11186	9.1
195.00317	10.0
227.12769	6.7
229.14297	21.1
234.71895	3.4
261.22235	20.3
293.06390	4.4
335.25714	19.2
335.29358	3.3
379.29398	4.9
397.31039	5.8
407.90012	3.3
415.31680	8.8
427.01514	3.1
433.33008	6.4
471.34113	4.3
489.35638	35.6
507.27695	5.2
507.36469	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	507.3682
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
51.59250	1.3
53.00314	2.1
53.03940	6.8
55.01872	9.9
55.05513	41.0
56.96572	1.9
57.03435	4.8
57.07071	13.2
59.04999	4.4
60.90033	1.8
65.03952	3.4
67.05507	88.9
68.99747	1.7
69.03426	5.8
69.06712	2.9
69.07066	35.5
71.04997	10.0
71.08633	40.8
71.39931	3.3
77.03935	1.9
77.32523	1.6
79.05497	65.9
81.03415	4.7
81.07059	100.0
83.04983	8.7
83.08617	25.4
85.02920	2.4
85.06546	5.6
85.10181	12.0
91.05482	62.6
93.07048	66.8
95.04974	18.8
95.08609	60.8
97.06526	13.9
97.10161	23.2
99.04456	1.5
99.08092	26.7
103.05523	2.5
105.07031	66.6
107.04957	6.6
107.08601	44.2
109.06526	11.2
109.10160	26.4
111.04461	1.4
111.08080	5.9
113.05959	1.7
113.09642	8.9
115.05473	3.7
117.07021	28.3
119.05058	1.5
119.08585	44.8
121.06514	14.7
121.10138	30.5
123.08086	7.0
123.11723	11.5
125.09616	10.5
127.11184	2.2
128.06261	2.4
129.06998	19.2
131.08571	47.2
133.06485	5.0
133.10132	29.5
135.08055	7.6
135.11707	17.7
137.05992	5.5
137.09572	7.6
137.13200	2.1
139.11183	4.4
141.07021	8.8
142.07762	2.4
143.08565	24.6
144.09296	1.7
145.06531	3.7
145.10127	32.3
145.88945	2.0
147.08076	4.4
147.11710	19.7
149.06046	1.9
149.09607	6.2
149.13306	9.7
150.13472	1.9
151.07578	2.4
151.11189	13.2
155.08582	12.8
155.10620	8.8
157.10109	20.4
159.08076	4.1
159.11707	16.3
161.09645	4.8
161.13229	10.5
163.11179	10.2
163.14758	1.9
165.12744	9.6
167.08574	3.7
169.10136	10.1
171.11676	13.6
173.09705	2.9
173.13255	11.0
175.11166	3.4
175.14842	6.5
177.12756	16.5
179.14307	6.6
181.10159	6.1
181.12285	2.3
183.11707	10.5
183.13618	1.6
185.09863	2.0
185.13258	11.9
187.14760	8.4
189.11226	6.2
189.12727	3.7
189.16470	3.2
191.14389	4.6
195.11737	4.8
195.13849	5.3
197.13239	7.9
199.07553	2.5
199.11026	2.4
199.14882	8.1
201.12698	3.6
201.16385	5.9
203.14384	4.4
205.12221	1.6
205.15912	4.5
207.11694	3.3
207.13643	1.9
209.13322	6.8
209.15163	1.7
211.14873	6.6
213.12802	3.2
213.16475	2.6
215.14375	4.4
215.18094	1.7
217.15804	2.8
219.13872	2.4
219.17487	1.9
221.13512	1.9
221.15456	2.7
223.14920	3.9
225.16364	4.4
227.14297	2.5
227.17920	2.1
229.15996	2.2
233.15401	3.8
233.19138	1.8
235.14758	2.3
235.16972	2.9
241.15944	3.1
241.19569	3.8
243.17519	3.4
247.16904	6.1
247.39772	1.6
249.18657	2.4
259.20636	2.3
261.18585	2.7
269.10837	3.2
273.18500	2.4
275.20044	2.1
277.21613	17.9
279.23203	2.5
283.24289	2.0
287.23611	2.1
295.22751	13.6
299.23560	3.2
301.25372	3.9
303.23148	5.8
311.23694	3.7
313.21841	1.6
315.23276	2.5
317.24899	3.3
319.26477	2.3
321.24533	2.5
323.23630	3.8
325.23956	2.2
327.23361	3.3
329.24789	4.8
333.24240	3.5
337.25235	5.9
339.23117	11.3
341.24524	11.1
341.71442	1.7
343.26184	2.3
345.27805	2.5
347.25992	3.9
351.18317	2.9
353.24838	3.2
355.26370	17.7
357.24329	14.0
359.25879	10.7
363.25391	2.3
369.19647	4.4
370.19562	2.5
371.25772	2.9
373.27298	16.2
375.25314	24.6
387.20438	3.0
389.26953	3.5
391.24191	2.7
391.28589	5.0
393.26343	5.3
407.33182	3.4
417.31613	3.4
425.34067	5.8
435.32520	14.3
443.35309	4.4
453.33688	34.6
461.36185	4.5
463.34302	3.5
471.34705	52.1
489.35757	82.7
507.21582	2.1
507.36682	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	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01872	5.4
55.05513	18.7
56.96578	2.6
57.03434	4.2
57.07061	7.4
59.05007	3.7
60.65201	2.8
61.02919	3.2
63.07671	2.6
64.26729	2.4
67.05502	34.4
68.05016	12.0
69.03421	10.2
69.07066	31.0
69.40777	7.3
69.41199	14.8
70.06577	5.5
71.04999	3.3
71.08640	4.0
72.08144	3.3
77.00908	3.4
79.05492	25.2
81.03407	5.9
81.07056	100.0
83.04987	4.5
83.08625	13.1
85.02902	21.9
85.06533	20.5
86.06092	3.2
86.09699	12.5
90.89153	2.3
91.05486	18.0
93.07038	38.0
94.06500	2.3
95.01913	5.0
95.04949	6.1
95.08605	78.9
96.04469	3.5
96.08964	2.5
97.02885	8.2
97.06523	8.4
97.10163	10.6
97.72976	2.3
99.04470	3.0
99.08098	21.0
101.00862	2.7
105.07027	26.4
107.05016	2.9
107.06065	5.3
107.08587	32.8
109.02861	5.7
109.06529	6.2
109.07649	32.7
109.10149	71.5
111.08060	12.7
111.11707	5.6
113.09635	3.4
117.07025	8.8
119.01906	16.1
119.08586	20.0
120.08092	4.8
121.10148	31.0
123.08087	3.5
123.09126	2.5
123.11703	35.6
125.09631	6.4
127.03913	4.9
127.11195	12.9
128.06223	4.9
129.06987	9.0
131.01935	6.6
131.08582	16.5
133.03462	4.5
133.10109	11.8
135.08148	3.5
135.11678	26.6
137.02986	8.0
137.05959	2.9
137.13249	12.7
139.11221	5.7
140.05812	3.9
141.07053	3.4
142.07805	3.1
143.01904	4.7
143.08543	19.7
145.03447	8.3
145.06583	3.2
145.10100	18.5
147.11696	15.5
149.09666	3.9
149.13283	22.9
151.14812	7.2
153.06584	76.9
153.12733	2.6
154.07420	3.0
155.01927	3.3
155.08426	6.3
156.09317	5.8
157.03458	4.7
157.10159	5.0
159.11685	4.5
161.02962	28.3
161.13243	6.2
163.11156	2.7
163.14819	14.6
165.12712	4.3
167.08476	3.0
167.14297	5.4
169.10078	5.7
171.07971	3.2
171.11678	21.0
173.02991	7.0
173.09584	3.7
173.13300	12.4
175.11218	4.9
175.14967	3.3
177.16418	10.7
179.08673	3.6
181.10139	6.3
183.11659	3.8
185.02872	3.3
185.13315	2.9
189.16348	5.6
191.17934	11.1
199.11183	14.8
201.12729	8.0
203.03981	13.3
203.17867	3.9
205.19574	4.7
217.12199	9.8
217.19585	6.6
221.05040	16.5
223.16933	7.9
223.20499	6.6
227.10474	3.0
241.17915	5.5
245.05139	15.0
245.11690	9.2
259.09644	4.1
259.19058	6.7
263.06192	7.2
271.81302	2.7
273.25732	19.5
279.26776	5.5
291.26834	34.4
293.12134	3.7
299.17630	5.8
301.18860	3.6
303.10880	4.1
304.15363	5.0
307.10635	3.7
309.27847	33.2
321.11789	8.6
327.28882	9.1
345.18115	75.9
346.18414	4.9
403.16104	9.0
421.17065	8.0
447.15067	10.9
463.19412	3.0
507.24197	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	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05512	16.4
57.03432	13.0
57.07090	4.1
63.67207	3.3
65.03936	4.6
67.05506	50.4
69.07059	16.9
70.57635	4.4
79.05492	37.3
81.07063	53.1
83.08649	7.1
91.05480	17.6
93.07060	40.6
95.04946	10.1
95.08605	39.3
98.20718	9.1
98.98463	65.8
101.74494	4.0
103.33096	3.7
105.07047	19.4
107.08585	23.5
109.10152	17.1
117.07084	4.4
119.08593	16.8
120.08163	5.2
121.10154	15.6
123.11702	7.1
129.07018	5.0
131.08557	9.1
133.10147	13.7
135.11717	11.4
143.90396	3.8
145.10095	13.4
147.11702	9.6
155.01051	17.8
159.11749	6.8
161.13260	5.2
169.10159	4.8
170.00386	3.8
173.02196	4.3
173.13283	5.1
174.78360	4.8
175.14700	4.9
195.63503	4.7
229.61687	5.0
234.42088	4.4
243.21103	6.0
261.22195	15.6
317.24841	12.1
335.25812	100.0
351.22797	3.9
369.24124	4.8
427.28537	9.4
439.26807	4.9
471.25073	6.5
507.35532	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01845	1.7
55.05516	10.2
57.03432	7.0
57.07069	1.8
65.03941	2.9
67.05507	44.0
69.07081	10.2
69.45037	4.9
69.45462	8.3
71.08613	1.6
75.30737	2.0
79.05495	27.4
81.07059	34.5
83.08620	5.0
85.06551	1.6
91.05483	16.1
91.80810	1.7
93.07055	29.5
95.04945	3.0
95.08607	30.7
97.06557	1.6
97.10175	2.8
98.98463	46.5
105.07035	11.6
107.08607	21.0
107.43345	1.7
109.10148	15.8
116.99506	1.7
117.07037	3.3
119.08588	13.1
120.53714	1.6
121.10150	14.5
123.11727	3.7
125.09641	1.7
131.08588	6.6
133.10089	10.1
134.92085	1.5
135.11664	10.2
137.13280	1.8
145.10139	6.9
147.11726	3.7
149.13280	6.5
155.01028	16.4
159.11700	3.4
161.13271	4.9
163.14793	3.4
173.02165	8.8
173.11832	1.8
173.13281	4.6
175.14789	2.5
187.14824	3.1
229.04788	1.9
243.21022	7.7
247.05739	3.1
261.22153	15.2
309.30954	1.8
317.24817	10.4
335.25809	100.0
336.26028	2.6
388.20602	1.5
471.25452	3.8
489.35455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88135	1.2
55.01875	1.7
55.05502	2.3
56.05029	2.3
58.06600	1.3
59.06123	2.3
61.02909	1.6
66.03448	2.1
67.05508	2.6
68.05025	18.0
69.03419	2.7
69.07063	1.4
70.06606	1.3
71.04987	1.4
71.60055	1.4
79.05490	4.5
81.03463	1.1
81.07057	6.3
83.06101	3.7
83.49647	1.2
84.04504	1.6
85.02918	6.0
86.09706	4.2
91.05486	5.8
93.07035	4.2
94.06622	1.2
95.08602	4.3
96.04478	1.8
97.02884	3.0
99.04436	1.8
103.05461	3.8
105.07032	9.5
107.04911	1.5
107.06072	7.1
107.08584	1.7
108.68499	1.2
109.06501	2.5
109.07641	44.7
109.10155	1.3
113.61930	1.2
115.05448	1.6
117.06980	2.6
119.01923	3.1
119.08565	3.8
120.08130	2.6
120.57698	1.5
121.06473	2.6
121.10168	1.7
128.06242	1.5
129.06998	4.0
131.04907	8.7
131.08574	9.6
133.10147	1.4
135.05551	1.2
136.07556	1.3
137.05994	5.7
140.05812	4.4
141.07001	3.1
143.08537	9.8
145.10168	10.9
147.11649	5.9
149.05957	1.2
150.00586	1.1
151.03941	1.8
153.06587	100.0
154.07372	3.8
155.08366	5.3
156.09314	2.4
157.10086	4.6
159.08035	1.8
160.11247	1.3
161.02960	3.3
163.07516	3.3
163.37920	1.3
166.07739	2.3
169.10133	5.7
171.11664	15.8
173.09616	1.5
173.13280	3.7
175.07607	2.0
175.11180	2.2
181.10098	4.4
184.59871	1.2
195.11739	2.0
197.09608	1.8
197.13295	2.7
199.07336	1.2
199.11127	9.7
201.12721	2.0
203.04002	1.6
204.12086	1.2
205.08591	1.3
212.14214	1.5
217.12247	12.5
219.13637	1.8
221.05031	2.4
227.10666	1.7
240.13863	1.3
241.12279	1.3
245.11705	4.5
257.13077	1.5
263.06186	1.5
293.12506	1.4
299.17569	6.2
301.19113	3.9
304.15427	7.4
306.17023	2.0
309.11182	1.3
318.17084	2.7
327.17178	2.3
328.15262	1.2
345.18100	89.7
415.22614	1.5
447.15237	1.5
461.23273	2.0
507.23645	17.2
521.74976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2201
Annotation	Repandin D
Peak:m/z	Relative Intensity
50.13125	0.5
50.61330	0.5
56.96544	1.0
63.22062	0.5
67.05487	1.2
69.55424	3.7
79.05508	1.1
81.07061	1.1
88.73566	0.6
93.07047	1.2
95.08578	0.9
107.04930	0.6
110.65040	0.6
112.96709	0.6
115.42037	0.6
117.07016	0.5
119.01919	1.6
121.10101	0.6
127.00037	0.7
143.01791	0.6
145.10147	1.1
163.03889	1.8
171.11713	1.3
200.65852	0.6
221.05081	0.8
227.05238	2.2
256.85367	0.6
259.16611	1.1
271.04153	4.2
289.05325	3.6
293.10596	0.7
348.32874	0.7
403.20493	0.7
421.21765	6.3
445.21930	1.6
463.22964	22.2
464.23645	1.0
489.20828	5.3
507.22012	100.0
508.22339	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	507.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03152	0.4
55.01849	0.8
56.05028	1.0
57.03433	0.7
61.01127	0.5
63.83289	0.3
65.03931	1.0
67.05496	1.5
69.03416	0.6
70.06593	4.0
70.08479	1.7
71.04985	0.4
72.08145	0.9
73.02889	0.4
79.05461	0.4
79.69295	0.4
84.04502	0.7
84.08138	0.4
85.02899	2.0
86.09695	2.7
89.07148	1.4
91.05473	0.7
94.04164	0.5
95.04960	1.2
97.02885	0.8
98.20774	0.6
98.97607	0.4
103.05499	0.5
104.05257	0.4
104.27433	0.4
107.04937	0.5
108.02070	1.5
108.97884	0.4
109.02907	0.6
111.04421	0.9
115.05458	0.8
120.08104	1.6
122.03616	2.4
127.03928	0.6
131.04933	1.3
133.02832	0.6
134.99672	0.4
136.01538	0.6
136.07596	0.7
137.05968	41.1
138.06288	0.4
140.19131	0.3
141.05460	3.5
143.04962	2.1
143.11815	0.5
145.06477	1.3
148.06023	0.6
151.03899	100.0
151.04976	6.3
155.37968	0.4
159.08038	1.3
161.06018	0.7
163.07588	1.2
171.07620	1.1
175.07533	1.3
191.07034	3.1
203.07010	2.8
219.08099	0.9
221.08073	0.7
235.07677	0.5
247.07510	1.6
261.14536	0.7
267.10657	0.4
315.12268	1.5
327.12265	16.1
345.13339	6.0
507.17920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1863
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
52.21731	0.5
52.36822	0.6
55.01876	0.5
56.96578	0.7
65.03926	1.1
67.05492	1.1
67.09216	0.5
68.09393	0.5
69.03415	0.7
70.06586	1.2
70.96045	1.3
70.96389	0.8
78.04768	0.6
85.02888	1.6
87.05565	0.6
91.05481	0.8
94.04192	1.0
95.04942	1.1
97.02914	1.0
98.97562	0.7
102.05479	0.7
103.31120	0.5
108.02095	1.8
109.02830	0.7
111.04443	0.8
115.05465	0.8
122.03625	3.0
131.04953	1.2
137.05977	46.5
141.05508	2.9
143.04927	2.7
145.06480	0.9
151.03905	100.0
151.04965	5.1
152.04337	0.7
159.08031	0.9
163.07588	1.0
163.83511	0.5
175.07617	1.2
191.06999	3.2
203.06941	2.7
205.17328	0.5
221.08043	0.8
222.96770	0.6
235.07703	0.7
241.07266	0.6
264.58392	0.6
279.49985	0.6
309.11615	0.8
315.12189	1.9
327.12268	17.6
345.13412	9.7
443.68561	0.6
507.18823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45416	0.6
55.01878	0.7
55.10122	0.6
55.42431	0.6
58.76653	0.5
60.04525	0.8
65.03934	1.2
67.05495	1.4
68.34348	0.6
69.03419	0.7
70.06584	3.6
70.29346	2.1
70.31551	0.5
71.79679	0.6
72.08132	0.9
84.04489	0.9
84.08149	0.8
85.02909	1.3
86.09714	0.9
91.05461	0.8
92.48208	0.6
94.04188	0.9
95.04966	1.0
97.02901	0.6
107.04988	0.6
108.02098	1.7
109.02889	0.8
109.06550	0.8
111.04409	0.9
115.05478	0.6
116.67822	0.7
116.98613	0.7
120.08160	0.8
122.03636	2.4
127.99557	0.6
131.04959	1.4
132.35562	0.6
134.99791	0.6
136.07649	0.6
137.05974	43.7
141.05449	3.2
143.04889	1.8
145.06499	0.7
151.03905	100.0
151.04973	5.1
159.08070	1.3
161.05969	0.7
163.07587	0.8
165.05365	0.6
166.05849	0.6
175.07584	2.2
179.98416	0.6
191.06998	2.7
203.07028	2.5
299.35052	0.6
315.12250	1.7
327.12268	16.5
345.13348	15.6
350.91678	0.6
379.90613	0.7
507.19540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1861
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
53.03947	0.8
56.96567	1.1
65.03951	0.7
67.05502	1.2
69.03413	1.2
69.96138	2.0
69.96558	1.7
70.06584	3.0
72.08151	1.0
76.43649	0.6
78.35983	0.7
81.03428	0.9
83.20540	0.7
84.08106	0.8
85.02899	2.2
86.09710	1.3
91.05527	0.8
94.04166	0.9
97.02893	1.3
108.02095	1.2
109.02838	0.8
115.05457	0.7
120.08110	1.5
122.03630	1.8
127.03935	0.9
133.06107	1.1
137.05984	35.3
141.05461	3.1
143.04938	2.0
151.03911	100.0
151.04965	4.4
159.08096	1.4
161.06105	0.9
167.07054	1.2
175.07523	1.3
191.07063	2.4
203.07039	1.9
327.12268	16.0
345.13351	11.5
413.11871	0.8
463.03098	0.8
507.17691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01872	3.0
55.05502	6.2
56.96565	2.4
58.88129	1.4
58.99575	2.6
59.72347	1.4
67.05495	10.0
68.05019	5.9
69.03419	4.4
69.07059	8.3
70.32734	3.1
70.33120	3.6
70.74424	1.4
72.08159	23.4
73.02921	2.7
76.03996	4.3
79.05481	10.1
80.05025	9.6
81.03410	6.4
81.07056	26.7
82.06573	12.5
83.08596	1.9
84.04494	21.0
85.02898	6.3
85.06529	3.6
86.09701	2.5
87.00838	2.0
88.03989	4.2
88.04651	1.4
91.05480	25.1
93.07059	15.9
95.04983	3.7
95.08598	12.6
96.04489	27.9
97.01076	2.2
97.02923	2.5
97.06509	3.6
97.10181	3.5
97.21608	1.5
98.00635	2.3
98.06056	3.9
98.97582	1.8
99.08093	7.0
102.05550	3.5
103.05450	2.3
105.07026	27.8
106.88292	1.6
107.04957	1.7
107.08590	8.3
108.04476	22.7
109.02851	1.9
109.06555	2.2
109.07668	2.4
109.10127	9.9
110.06037	15.1
112.02173	7.4
114.03751	10.1
114.37094	1.4
115.05453	6.2
116.06223	2.7
117.07021	26.3
119.04928	2.1
119.08589	15.1
120.08095	7.7
121.06518	3.3
121.10159	8.8
123.11708	5.2
124.03962	6.3
126.03690	2.0
126.05508	5.7
127.03915	4.0
127.11237	2.5
128.06209	14.1
129.07001	26.0
130.07788	5.5
131.08566	35.9
132.09331	1.8
133.10115	6.0
135.02611	2.6
135.04454	1.8
135.11717	2.6
135.99718	1.4
136.03938	36.5
137.06059	2.7
137.07104	14.6
137.09550	1.7
138.09081	2.8
138.97137	1.2
140.01697	8.3
141.06947	7.3
142.03214	36.9
142.05011	4.7
142.07779	9.1
143.08556	62.3
144.04739	2.0
145.06473	2.4
145.10112	61.1
147.02643	3.4
147.08006	2.9
147.11708	10.7
149.05951	1.9
149.13242	2.8
153.07001	1.8
153.90042	1.5
154.03212	4.9
154.07738	1.9
155.08530	11.8
156.09290	11.2
157.06549	3.5
157.10104	13.3
158.10883	2.2
159.08072	2.4
159.11719	5.8
161.04207	3.4
161.05994	2.5
161.13243	2.0
165.06732	3.8
165.09178	2.1
166.03226	2.8
166.07727	6.8
167.08542	2.1
168.09328	1.7
169.10130	15.0
169.96082	1.6
170.02708	16.2
171.08044	4.5
171.11682	89.2
173.04175	2.5
173.09607	3.4
173.13257	66.4
175.11060	2.5
175.14825	5.4
180.10272	8.4
181.10114	13.6
183.06152	1.6
183.07669	6.8
183.11594	6.6
184.08836	2.6
185.09663	1.9
185.13240	3.4
187.05690	2.0
189.09079	1.6
189.12767	2.2
191.14314	1.8
193.06065	13.6
195.11699	2.8
196.04300	2.8
197.09541	2.2
199.11176	42.8
199.14824	2.6
201.07263	2.1
201.12512	12.1
203.08910	9.1
205.19534	3.0
211.07126	100.0
216.25732	1.6
217.12218	50.4
219.39423	1.4
223.20552	5.7
227.04858	3.1
227.10641	10.0
229.10275	5.3
229.11934	6.0
231.08423	5.8
231.12120	2.5
239.08946	2.2
241.19501	14.9
243.04259	2.4
245.05891	12.2
245.11725	11.1
249.09410	3.9
257.05969	2.7
257.09909	5.9
259.09628	1.6
275.10950	6.3
277.08905	5.1
279.16980	5.0
285.09372	2.0
312.14288	2.3
340.13721	5.8
358.14645	6.0
368.13196	3.2
386.14236	15.6
404.15305	25.1
415.16959	2.3
443.16492	1.9
461.17374	3.2
489.17023	2.9
493.62451	1.7
507.17822	4.8
507.25128	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01861	2.4
55.05491	3.8
58.99576	1.3
67.05485	5.6
68.05013	4.9
69.03415	3.8
69.07068	7.0
69.74269	7.3
70.06578	2.9
73.02901	2.5
76.03988	2.3
79.05499	8.5
79.35719	1.1
80.05013	9.0
81.03402	2.8
81.07053	16.9
82.06571	11.7
83.08606	1.4
84.04501	13.2
85.02876	3.7
85.06526	5.0
86.09707	17.5
88.03975	4.3
91.05476	17.2
93.07040	17.2
93.38084	1.5
95.04949	3.6
95.08617	11.2
96.04489	22.6
97.01091	2.2
97.06516	4.4
98.06071	2.8
98.06865	1.2
99.08128	2.3
103.05466	2.6
105.07027	23.4
107.04933	3.4
107.08585	8.1
108.04472	19.6
109.02898	1.5
109.10178	6.1
110.06046	15.1
111.08073	1.5
112.02176	5.3
114.03741	5.3
114.05531	1.5
115.05463	3.6
116.06196	1.8
116.10761	1.6
117.07014	23.6
119.08571	12.5
120.08051	6.2
121.10109	4.3
122.48215	1.2
123.11693	3.6
124.03957	8.8
126.05511	5.3
127.03909	1.6
128.03403	1.3
128.06190	11.6
129.06993	19.3
130.07771	3.9
131.08559	30.0
133.06535	1.7
133.10124	5.4
135.08063	1.5
135.11708	2.6
136.03938	32.6
137.05960	3.2
137.07083	10.2
139.52594	1.2
140.01656	7.7
141.06998	5.2
142.03221	38.3
142.05008	4.6
142.07739	4.4
143.08557	45.8
145.06448	2.5
145.10123	44.9
146.09621	1.2
147.02618	3.5
147.08061	3.3
147.11719	5.9
149.04210	1.8
149.05972	1.6
149.13255	4.7
151.07556	1.9
153.06941	1.7
154.03207	6.4
154.07768	1.8
155.08559	9.3
156.09341	7.9
157.06444	2.7
157.10130	10.0
159.08040	2.3
159.11589	2.8
161.04121	2.0
161.05992	3.6
161.13246	1.6
163.04047	1.2
165.06755	5.8
166.03221	2.1
166.07779	5.9
167.08434	2.6
167.14301	2.4
168.01193	1.7
169.06496	1.5
169.10118	13.2
170.02692	15.7
170.10835	1.3
171.08070	4.1
171.11684	72.9
172.12427	1.5
173.09615	3.8
173.13255	59.6
175.05901	1.6
175.07491	2.5
175.11316	1.6
175.14798	5.9
181.10098	13.0
183.07738	2.5
183.11632	4.6
184.08832	2.0
185.09598	1.6
187.11156	1.7
189.12617	2.7
193.06111	10.4
193.15965	1.4
195.11708	2.0
196.04263	2.4
197.09622	2.5
199.11176	35.3
201.12582	7.5
203.08868	8.4
205.10426	2.5
209.09654	1.4
211.07130	100.0
215.07086	1.3
217.12241	42.2
219.13725	2.4
227.04845	4.9
227.10649	10.9
229.10443	5.8
231.08392	3.1
231.12004	1.8
243.04385	2.6
245.05956	11.0
245.11702	8.2
249.09471	3.5
257.05927	1.8
257.09860	6.6
259.09579	2.7
267.08185	1.4
268.88354	1.4
275.10977	3.7
277.08893	3.1
279.16946	2.0
285.09372	1.9
303.10388	2.1
309.27927	2.7
312.14337	1.8
317.16354	1.5
340.13626	6.2
344.24564	2.1
345.24811	3.3
358.14780	6.0
368.13150	3.6
386.14215	13.2
404.15225	21.8
443.16104	1.9
461.17599	2.8
489.17126	1.8
507.18195	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	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.3
55.01870	6.6
55.05504	15.1
55.46353	6.1
61.02934	7.8
67.05501	20.5
69.03430	29.1
71.04980	12.6
71.06360	17.4
79.05497	17.0
81.03419	30.6
81.07050	27.1
83.04974	20.2
83.08606	48.3
85.02892	67.4
85.06567	12.0
86.09722	5.7
87.00829	18.4
87.04442	6.2
91.05480	16.8
93.07033	20.9
95.04942	15.5
95.08612	18.3
97.02865	45.9
97.06524	13.6
99.04447	19.4
105.01897	15.7
105.07034	21.2
107.04974	11.3
107.08596	100.0
109.02890	19.0
109.06493	10.9
109.07639	9.3
109.10145	36.1
116.10744	8.3
117.07003	6.6
119.01980	6.3
119.08585	23.7
119.51630	6.1
121.06493	7.5
121.10130	20.8
123.08108	36.0
125.05979	26.0
125.09624	82.9
127.03889	34.2
129.06987	11.1
131.08543	12.3
133.10136	8.2
135.11671	15.8
137.09514	7.1
139.07478	7.6
139.11305	7.0
145.04916	12.2
145.10147	20.7
147.08049	22.5
153.06580	20.7
159.02890	8.0
159.11659	22.0
163.11153	23.1
165.09154	19.3
167.07036	9.5
171.11687	12.6
177.12755	15.2
181.12241	51.0
189.12819	9.8
191.14330	6.5
195.13957	6.8
203.04149	7.9
205.12256	19.5
206.13150	8.5
207.13831	13.7
217.12245	8.4
223.13297	37.1
321.20630	6.6
345.18158	19.6
500.36066	6.6
507.23248	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
53.44313	2.7
55.01876	2.5
55.05503	14.1
57.03443	2.8
57.07074	38.9
65.13863	2.7
67.05502	30.9
69.07068	10.1
71.08633	29.3
79.05518	14.4
81.03418	100.0
81.07054	32.2
83.04988	3.3
83.08617	28.2
85.10194	17.2
91.05478	20.9
91.98100	2.1
93.07033	13.2
95.04983	22.0
95.08607	31.8
97.10178	9.3
105.07042	11.7
105.07644	2.8
107.04924	4.0
107.08560	3.6
109.06518	3.6
109.10134	16.5
111.08093	8.8
119.08598	9.4
121.06462	2.9
121.10133	4.9
123.11691	5.2
124.99055	2.3
126.55119	2.4
129.06996	13.5
131.08574	9.9
133.06415	3.1
133.10146	5.5
142.10083	2.4
147.08058	3.7
147.11737	6.1
149.09631	4.7
157.10184	7.5
175.11250	10.1
179.14427	2.4
186.96881	3.4
193.12248	47.0
204.97871	3.6
213.12810	2.1
239.23682	8.6
249.14967	7.4
270.21149	2.7
505.21625	2.6
505.39008	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01867	1.5
55.05510	12.1
55.22449	1.1
57.02166	1.4
57.07075	40.5
61.71953	1.2
65.03944	1.5
67.05505	34.7
69.03430	1.8
69.07069	12.0
69.42336	3.4
69.42739	8.6
71.04980	2.7
71.08634	32.8
79.05497	17.4
81.03417	97.5
81.07055	28.2
83.04987	3.0
83.08618	28.7
84.73531	1.2
85.06540	1.9
85.10191	16.7
91.05484	18.2
93.07066	8.0
95.04966	25.3
95.08607	32.4
97.02859	2.2
97.10174	9.1
98.20747	2.1
99.08093	2.6
103.72274	1.2
105.07040	13.5
107.04967	3.9
107.08585	3.4
109.06537	3.7
109.10159	21.5
111.04477	1.7
111.08074	7.2
111.11730	1.8
112.82112	1.2
117.07051	2.3
119.08591	12.6
121.06503	2.9
121.10141	5.6
123.11703	6.5
123.91392	1.5
125.09608	2.0
125.13246	1.3
128.88870	1.2
129.07024	13.0
131.08553	8.3
133.06537	3.1
133.10120	5.5
137.13274	3.5
142.07776	1.9
145.10109	1.5
147.08008	3.5
147.11684	3.5
149.09622	3.7
157.10141	10.2
165.12891	1.6
171.25645	1.2
175.11183	10.6
179.14369	2.7
193.12234	58.8
221.22624	1.7
239.23669	8.0
249.14813	7.1
277.21835	1.5
284.27435	1.2
420.14368	1.2
458.64941	1.1
505.38934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03949	7.8
53.10656	2.6
55.01878	5.4
55.05508	88.1
57.03439	3.8
57.07077	28.8
58.52208	2.5
59.05010	4.1
64.60706	3.3
65.03931	5.6
67.05502	100.0
69.03431	6.9
69.07061	34.6
71.04982	5.4
71.08639	18.7
71.59972	2.6
79.05492	71.6
81.03416	60.7
81.07053	95.7
83.04978	9.1
83.08618	63.0
85.06558	4.8
85.10191	8.0
91.05473	49.5
93.07037	73.6
95.04984	19.0
95.08603	67.0
97.06518	4.9
97.10168	91.8
97.38236	2.7
99.58641	3.1
105.07034	30.6
107.04967	5.7
107.08585	55.8
109.06504	4.4
109.10152	43.1
111.08105	10.4
115.05450	2.9
115.73271	2.7
117.07004	12.5
117.07744	2.7
119.08578	24.4
119.86655	3.3
121.06519	3.8
121.10135	34.5
123.11700	6.1
125.09626	74.3
129.07013	5.7
131.08565	22.8
133.10088	19.1
135.08032	6.3
135.11711	26.7
135.60890	2.6
137.13257	4.1
142.07784	3.2
143.10719	5.1
145.10158	11.3
147.08092	4.1
147.11662	18.2
149.09598	5.0
149.13280	16.3
153.09151	6.2
157.10132	7.6
159.11732	11.2
161.13280	12.7
171.10159	6.3
172.79164	2.8
173.11873	3.5
173.13272	10.3
175.11212	8.0
175.14745	3.7
187.14894	5.0
189.11227	60.5
193.12216	26.5
227.12770	72.5
227.14903	5.1
229.14406	4.6
231.13564	2.8
239.23636	6.6
243.21167	9.6
245.13890	6.3
249.14949	4.2
259.20459	6.0
261.22131	41.7
269.64713	2.6
290.42557	2.8
317.24719	8.8
333.24237	3.5
395.29358	3.1
413.30438	4.5
431.31412	6.3
487.34055	14.1
505.35434	94.9
506.35455	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	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.4
53.03936	7.9
53.20370	2.0
53.89560	2.4
55.01857	9.4
55.05510	87.8
57.03428	5.0
57.07076	25.2
59.04974	2.1
65.03922	2.8
67.05501	98.3
69.03414	9.0
69.06718	2.5
69.07064	31.5
70.11607	8.4
71.08631	14.7
79.05492	88.3
81.03415	52.2
81.07056	91.1
83.04969	9.0
83.08614	58.3
85.06505	2.3
85.10172	9.1
91.05479	44.5
93.06464	4.0
93.07040	67.1
95.04958	23.2
95.08603	67.1
95.09106	1.3
95.09228	2.4
97.06526	3.6
97.10171	96.7
105.07034	31.6
107.04948	4.8
107.08596	63.3
109.06507	2.5
109.10150	27.6
111.04401	2.3
111.08094	9.9
117.07008	13.4
119.08574	22.1
121.06570	3.6
121.10145	28.1
123.07987	2.4
123.11689	11.0
125.09622	80.9
129.06992	7.2
131.08569	22.6
133.06465	2.6
133.10130	17.8
134.82423	2.1
135.08000	9.8
135.11703	23.7
137.09641	3.1
137.13255	3.4
143.10654	3.3
145.10143	13.8
147.11707	13.1
149.13228	13.6
153.09042	3.8
157.10146	6.4
159.11667	8.9
161.13246	10.3
163.14781	6.8
171.10168	4.9
173.13237	7.7
175.11177	5.5
175.14841	2.8
187.14792	4.6
189.11206	77.2
193.12222	27.0
227.12787	59.0
239.23711	6.2
243.21127	7.2
245.13806	4.1
249.14836	4.4
259.20441	5.0
261.22174	40.2
283.23160	2.2
317.24637	8.5
333.24234	4.7
413.30228	3.0
487.34344	10.2
505.34460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01873	30.9
55.05510	54.9
57.03425	6.8
57.07071	4.4
65.03930	4.3
67.05506	80.1
69.03421	13.3
69.07069	58.5
71.04988	7.9
71.12296	6.2
71.12624	3.8
74.40512	3.1
79.05489	68.0
81.03413	11.2
81.07056	100.0
81.76780	2.7
83.04987	17.0
83.08614	29.2
85.02912	5.5
85.06546	6.7
91.05482	65.3
93.07048	68.1
95.04961	33.2
95.08608	66.1
97.06535	82.4
97.10143	17.2
99.08074	3.6
105.07030	75.7
106.34019	3.2
107.04951	9.4
107.08595	46.7
109.02895	3.7
109.06527	13.5
109.10165	35.0
111.04416	7.2
111.08095	11.2
115.05435	5.4
117.07030	27.2
119.08585	67.6
121.06480	11.6
121.10155	31.8
123.08078	14.8
123.11714	8.2
125.09627	10.2
127.03887	5.9
128.06194	6.8
129.07011	23.1
130.07793	3.1
131.08566	48.5
133.06494	7.3
133.10136	30.2
135.08044	12.8
135.11679	20.4
137.09589	6.3
139.11070	4.4
141.06966	10.4
142.07768	4.6
143.08533	25.3
145.06458	4.8
145.10121	37.5
147.08040	10.5
147.11708	27.2
149.09601	11.1
149.13254	9.1
151.11067	3.9
155.08528	16.0
157.10127	21.5
159.08073	7.6
159.11708	25.5
161.09630	6.8
161.13258	9.3
163.11218	4.3
165.09108	3.8
165.12775	6.2
167.08543	7.5
167.14172	3.5
169.10083	17.7
171.08047	5.6
171.11671	20.8
173.09654	6.9
173.13235	15.9
175.11197	9.4
175.14772	4.2
177.12782	8.6
181.10112	9.6
183.11739	20.1
185.09612	8.7
185.13239	10.8
187.07471	4.3
187.11086	5.9
187.14798	7.1
189.11147	4.9
189.12744	3.4
195.08009	5.8
195.11635	7.8
195.13843	3.4
197.13298	8.5
199.11139	4.3
199.14818	5.3
201.09125	3.8
201.12715	4.5
201.16428	4.1
209.13266	7.1
211.07410	3.6
211.14792	5.8
213.09113	6.4
213.12766	5.9
213.16470	7.2
215.14294	4.6
217.08527	4.5
229.15910	3.8
233.15263	5.5
239.14203	3.8
239.18018	6.4
241.08514	4.8
247.16917	4.1
249.18475	4.8
257.18887	4.7
261.18527	3.7
275.20093	26.4
285.15195	3.3
289.21506	3.2
291.19623	4.4
309.15060	4.4
313.14276	5.4
315.23117	6.4
317.24658	4.2
320.11545	3.5
327.15881	5.4
327.23114	4.8
329.24548	4.0
333.24307	3.8
339.23001	9.4
341.24585	6.1
345.24353	3.8
355.15576	18.3
355.26141	5.6
357.24222	6.1
375.25360	18.0
389.26804	4.5
393.26495	6.9
423.32367	9.8
433.30768	14.5
451.32111	36.1
459.34525	5.7
469.33154	49.1
487.34299	54.7
505.20407	11.8
505.35828	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
55.05507	22.7
56.96555	4.0
57.07074	7.9
67.05505	56.6
69.03437	17.8
69.07066	49.8
70.06596	4.9
70.17366	16.6
70.68128	4.1
71.04980	11.3
77.03949	6.4
79.05499	37.0
81.03422	12.5
81.07056	89.0
83.04985	12.9
83.08623	19.1
85.02900	32.0
85.06528	5.5
86.09724	7.0
91.05467	35.6
93.07050	62.8
93.46873	4.2
95.04970	15.6
95.08611	100.0
97.02916	7.6
97.06564	29.3
97.07106	6.2
97.10167	10.2
98.21379	5.9
98.97591	6.4
99.04442	5.5
99.08089	4.0
105.07034	57.9
107.04955	7.3
107.08591	56.0
109.02882	7.8
109.06533	9.7
109.10151	65.4
111.08073	7.5
111.11752	10.3
116.98639	4.7
117.07040	15.4
119.08607	39.8
121.06484	4.5
121.10142	40.0
123.11722	27.5
125.09655	7.6
125.13289	7.3
127.03954	7.5
127.11177	19.8
128.06241	5.2
129.07054	8.3
129.24623	4.1
131.08540	21.7
133.10135	43.3
134.99731	4.4
135.08069	10.3
135.11688	32.8
137.06068	5.2
137.09602	21.6
137.13234	11.1
141.06955	6.0
142.07742	6.4
143.08575	14.9
145.04942	4.7
145.10149	32.1
147.11685	37.5
149.13260	28.6
151.14868	4.8
154.07762	5.0
155.08632	5.7
155.10695	12.1
156.03577	4.3
157.10103	7.2
159.03032	4.7
159.11693	17.4
161.05891	4.4
161.13284	14.4
163.11115	5.6
163.14821	15.1
165.12723	12.2
169.10063	7.5
171.08087	4.0
171.11731	13.8
173.09590	4.8
173.13336	13.7
175.14874	15.4
177.00745	5.0
177.16446	6.8
181.10130	7.5
184.08722	5.5
185.09770	4.6
187.14861	11.2
189.16371	12.9
197.09558	6.5
199.11172	7.1
201.16388	9.5
203.17986	17.3
206.03966	4.2
207.11797	4.5
207.17435	10.2
213.08949	5.3
215.17992	13.0
217.12315	13.7
225.09155	8.3
227.10594	6.3
237.09056	8.9
243.10085	22.2
245.11714	8.3
261.11136	7.1
271.24176	31.9
289.25308	24.9
307.26212	12.8
309.14899	6.0
311.12741	4.4
325.27408	5.2
330.02322	4.8
337.14325	5.1
346.24417	4.5
355.15686	7.0
364.10202	4.6
413.21164	7.0
431.22195	9.6
441.20981	5.6
459.21329	9.0
475.31796	6.3
477.22549	5.3
505.16019	4.7
505.21954	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01864	7.4
55.05508	27.6
56.96560	9.1
57.03428	6.8
57.07071	12.4
61.02925	3.8
63.58039	2.4
65.03934	2.6
67.05165	3.3
67.05502	46.3
68.99786	5.3
69.03430	44.5
69.06715	3.4
69.07068	47.8
71.01357	3.4
71.04996	4.3
71.27266	3.4
71.28477	2.1
73.02921	3.1
79.05495	36.0
81.03417	34.2
81.07054	94.5
81.08953	2.4
83.04968	9.8
83.08615	21.6
85.02909	26.6
85.06541	12.1
87.00832	11.2
91.05474	21.7
93.07046	43.2
95.04977	26.9
95.08603	100.0
97.02879	13.4
97.06525	65.2
97.10155	10.6
99.04449	5.3
99.08086	4.2
101.02386	2.2
103.03938	5.1
105.01849	4.2
105.07026	31.5
107.04951	8.7
107.08597	45.6
109.02916	3.5
109.06532	8.5
109.10152	66.0
111.00839	2.8
111.04460	10.8
111.08078	16.7
111.11721	8.3
115.03905	4.9
115.05461	3.0
116.98612	3.8
117.07011	9.8
118.70410	2.2
119.08583	39.0
119.90627	1.9
121.06508	8.4
121.10133	33.7
123.04446	8.0
123.08070	7.8
123.11702	45.8
125.05977	2.4
125.09613	3.3
125.13284	2.8
127.03930	8.1
128.06233	6.6
129.01868	3.5
129.07014	7.9
131.08571	20.7
133.06461	6.2
133.10120	26.4
134.99696	4.9
135.08061	9.4
135.11694	26.4
137.05965	4.2
137.09657	11.1
137.13255	18.9
139.07524	4.1
141.06969	4.8
141.09222	2.2
143.08508	12.3
145.05006	2.9
145.06462	4.5
145.10124	24.2
147.08026	8.1
147.11687	18.8
149.01184	2.9
149.09599	7.0
149.13266	19.3
151.07561	4.9
151.11201	2.7
151.14803	4.9
154.07860	2.2
155.08546	5.4
157.10107	13.4
159.08041	6.1
159.11691	14.6
161.09615	6.5
161.13297	14.6
163.07547	4.4
163.11143	5.1
163.14848	13.3
165.09123	20.8
165.12805	4.3
167.08551	3.8
167.10760	3.0
168.72437	2.3
168.77667	2.1
169.10162	4.4
171.08011	5.1
171.11693	11.9
173.05911	2.5
173.09612	7.6
173.13179	13.5
175.07529	3.2
175.11192	4.3
175.14807	10.0
177.09076	2.8
177.12738	3.1
177.16351	8.9
177.86279	2.3
179.10695	5.2
181.10112	3.8
183.08076	2.5
183.11710	6.0
185.09607	4.9
185.13243	5.9
187.11259	3.7
187.14832	9.6
189.03955	4.1
189.09172	5.8
189.12781	2.6
189.16393	6.8
191.10689	6.3
191.17970	7.8
193.12363	2.3
195.08063	6.6
197.09605	3.5
197.13216	3.9
199.11270	4.1
199.14835	5.9
201.12709	4.0
201.16393	3.8
203.10667	3.3
203.17931	7.6
205.12369	2.9
205.19438	4.6
209.11630	3.3
211.07603	3.4
213.09093	6.9
213.12813	3.3
217.12270	3.9
223.07530	3.0
227.17967	2.8
230.46696	2.4
231.10229	3.7
241.08534	2.6
257.22589	3.1
273.25806	5.0
284.12665	2.5
285.15228	2.5
285.25623	2.9
291.26538	3.4
293.13275	3.7
297.25702	3.6
303.26810	3.5
309.14752	6.9
311.12558	4.3
313.14157	2.9
315.26804	6.3
327.15799	5.4
329.28503	4.8
355.15381	10.7
359.29373	7.0
365.15561	3.4
365.28372	6.5
371.29379	3.0
383.29456	25.8
389.32635	2.4
401.30518	20.9
461.21161	6.1
469.29532	5.3
487.30521	37.4
505.21054	21.3
505.31668	36.5
528.64111	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.0
55.51159	0.4
57.03432	2.8
57.07073	5.0
67.05505	2.1
69.06727	0.7
69.07066	11.8
71.08635	2.8
79.05464	1.5
79.38421	0.5
81.07062	2.3
81.07448	0.4
83.08158	0.5
83.08620	8.5
85.10173	1.0
91.05452	0.6
93.07075	2.0
95.08585	1.8
97.06539	0.9
97.10168	6.0
107.08563	1.3
109.10158	0.8
111.08060	0.6
111.11674	1.4
115.03685	1.3
120.96641	0.4
121.10133	1.7
125.09622	0.5
135.11661	0.9
149.13281	0.6
156.97464	3.2
174.98544	5.1
176.99236	3.8
179.98996	0.5
182.99059	1.1
195.00302	100.0
201.00021	1.4
213.00072	6.4
231.01161	1.5
269.02579	2.1
311.25790	18.5
449.21472	2.6
487.24133	0.6
505.25229	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10942	0.6
53.29643	0.6
55.05511	9.9
57.03422	3.7
57.07067	4.9
59.19271	0.6
67.05501	4.9
69.07064	15.2
69.44157	6.0
71.08608	2.5
79.05492	2.1
81.07066	4.7
83.08622	9.5
84.66689	0.6
85.02912	0.6
85.10188	0.7
85.87921	0.6
91.05478	1.5
93.07040	2.9
95.08586	2.1
97.06538	1.5
97.10160	6.7
98.21567	1.1
105.07014	0.9
107.08585	1.9
109.10163	2.4
111.11725	1.4
115.03687	1.4
119.08566	1.0
121.10126	1.4
129.06947	0.5
131.08490	0.9
133.10141	1.0
135.11710	1.1
139.19687	0.6
146.24156	0.7
156.97528	3.3
174.98537	6.8
176.99243	4.3
182.99042	0.8
193.33070	0.8
195.00305	100.0
201.00052	1.4
213.00061	7.5
226.13065	0.6
231.01135	3.2
269.02582	1.8
311.25793	15.7
349.14133	1.3
366.40814	0.6
449.21320	2.2
467.22266	0.7
505.24979	17.0
506.60178	0.8
519.86328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2642
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
51.55532	8.2
55.01854	9.3
55.05502	20.2
56.96537	13.1
59.00008	8.5
59.74623	7.7
65.03925	9.1
67.05499	18.3
69.03417	24.8
69.07056	29.6
70.01514	7.8
70.06596	65.5
71.13577	18.2
72.08139	9.1
79.05499	20.1
81.03406	11.7
81.07042	42.8
82.86211	10.1
83.08615	18.3
84.04489	26.7
85.02898	26.7
86.09692	23.3
91.05486	22.4
93.07021	21.6
95.04980	10.0
95.08615	45.7
96.04485	8.7
97.02848	13.5
97.06509	12.5
99.08125	9.0
105.07066	20.4
107.04932	11.0
107.08578	22.9
109.06504	14.5
109.10152	79.5
116.88466	9.3
119.08601	49.1
119.32855	8.7
120.08097	20.8
121.10150	20.3
122.72175	8.5
122.84197	11.1
123.11723	8.4
130.04956	10.3
132.53476	8.2
133.10117	22.2
135.11696	100.0
137.05974	34.4
137.09616	20.3
145.10136	21.0
154.83694	8.5
175.07582	10.3
175.14854	41.7
185.05988	10.2
193.15895	76.2
196.17038	10.0
197.09624	18.2
203.06979	25.4
211.16953	93.9
214.17981	36.5
262.17923	11.6
307.15811	11.2
343.22333	85.4
487.21835	19.8
491.54114	9.9
505.23395	20.6
530.95868	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	505.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.7
55.05504	15.2
56.15768	4.8
56.96573	8.2
57.03432	7.9
59.40442	4.9
60.67608	5.4
67.05495	18.8
69.03427	22.8
69.07066	17.3
69.17377	5.5
71.04993	5.8
71.60031	5.0
79.05493	19.3
81.03413	8.8
81.07040	32.0
83.04970	5.3
85.02920	8.1
86.03188	5.1
91.05472	24.6
93.06989	10.4
95.04961	21.4
95.08611	13.0
96.82020	5.1
97.02903	6.2
97.06528	96.4
99.04443	7.7
105.07005	33.9
107.04948	9.2
107.08611	8.7
109.10152	7.5
113.11695	4.5
116.98697	6.2
117.07015	14.9
119.08580	17.2
127.77643	5.3
128.06229	12.7
129.07013	34.8
131.08574	21.7
133.10078	13.1
141.06993	14.0
142.07814	11.0
143.08569	59.7
145.06461	9.5
145.10092	42.5
147.11687	15.2
153.06964	6.9
155.08531	12.5
156.09349	14.1
157.06453	10.9
157.10123	15.0
159.11694	10.1
161.06035	9.9
163.07718	6.5
165.07022	15.9
166.07826	8.6
167.08554	15.8
169.10127	29.9
171.08060	11.9
171.11678	100.0
173.06038	7.3
173.13281	16.5
175.07561	7.2
179.08632	9.6
181.10065	24.6
182.07349	6.2
183.07933	10.2
185.06078	8.2
185.09673	7.7
195.08076	15.6
197.09604	29.2
199.07509	6.0
199.11203	56.9
201.09064	6.6
203.07030	11.2
209.09721	9.3
213.09065	11.8
215.10771	7.9
217.12221	60.5
225.09160	55.0
227.10637	21.4
237.09148	31.1
243.10155	94.3
245.11728	37.4
255.10318	11.4
257.11963	7.0
263.12872	7.8
269.11868	6.7
309.14899	18.7
311.12646	11.5
313.14212	7.0
327.15958	11.3
337.14319	8.7
355.15256	41.1
413.21039	9.4
423.19470	6.9
441.20419	20.4
459.21716	8.0
469.19891	9.6
487.21112	12.0
489.77063	5.7
494.68713	5.4
494.78687	6.4
505.21262	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	505.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01866	11.8
55.05498	11.2
67.05510	26.6
69.03418	16.4
69.07056	17.8
71.21185	9.2
78.47388	3.5
79.05492	20.6
81.03403	9.1
81.07050	36.0
81.20538	3.6
83.04973	13.4
83.08607	5.3
85.02883	11.3
91.05461	30.1
93.07036	15.7
95.04968	24.1
95.08598	19.1
95.33557	3.7
97.02876	7.8
97.06531	100.0
97.10146	6.5
103.05415	4.4
105.07015	28.9
107.04946	21.1
107.08566	12.0
109.02865	5.0
109.06452	7.0
109.10152	9.8
115.05463	7.0
117.07003	12.9
119.08572	13.9
121.06524	4.7
121.10168	7.6
123.11771	6.3
127.03905	7.0
128.06218	10.8
129.07014	26.0
131.08572	19.5
133.10144	9.7
135.08006	5.0
135.11659	5.2
141.06993	13.9
142.07747	11.7
143.08553	37.1
145.06476	5.7
145.10121	33.9
147.11716	6.2
149.09627	4.8
153.07005	6.5
154.07770	10.8
155.08530	13.1
156.09274	12.4
157.06482	9.7
157.10103	17.2
159.04346	4.0
159.08046	3.7
159.11777	6.4
161.05966	7.8
161.13272	4.1
163.11194	3.9
165.05515	4.6
165.06992	14.9
165.09148	4.5
166.07756	13.1
167.08597	18.8
168.09296	3.9
169.10106	37.4
171.07996	11.4
171.11668	53.5
173.06012	5.5
173.09518	4.4
173.13240	5.8
173.15727	4.1
175.07504	12.1
179.08597	9.7
181.10066	19.8
182.07271	12.9
183.08057	10.8
183.11716	5.5
184.08839	5.7
185.05978	7.1
185.09599	12.9
186.51532	3.6
189.09100	7.7
189.12784	3.6
193.10143	5.3
195.08051	13.3
195.11804	3.8
197.09642	36.2
198.10077	4.2
199.07510	4.3
199.11163	30.2
201.09120	5.7
203.07033	19.7
203.10706	5.1
209.09584	18.6
210.06609	3.9
211.07561	6.2
211.11238	5.6
212.08180	4.4
213.09140	16.1
215.10651	9.8
217.08623	4.4
217.12209	40.6
223.07466	5.5
225.09094	84.3
227.10674	12.9
231.10263	4.4
237.09109	40.5
239.06870	3.6
239.10684	6.6
241.08586	10.5
243.10159	95.8
245.11758	12.0
255.10161	9.8
259.09650	6.3
263.12735	5.2
265.12222	5.9
269.11755	4.7
284.61008	4.1
309.14871	16.8
311.12668	8.0
313.14316	10.2
327.15994	9.6
337.14334	6.9
355.15427	43.0
395.20099	8.3
413.21097	15.3
423.19290	7.3
431.18564	4.6
441.20551	13.8
469.19821	10.0
487.15048	5.5
487.21332	7.5
505.16718	7.6
505.23459	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	505.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.12789	2.2
55.01867	11.6
56.96561	3.4
57.03434	2.7
60.89684	2.1
65.03935	4.3
65.04256	2.2
67.05492	5.2
69.03402	2.5
70.06570	2.9
71.60040	2.5
79.05482	10.7
81.03407	3.9
81.07045	8.3
85.02893	6.3
86.09707	7.0
91.05489	19.0
93.07043	6.3
94.04163	2.9
95.04966	13.4
95.08595	7.0
97.02875	3.6
98.97589	2.5
103.05456	9.2
105.03387	2.3
105.07036	10.0
107.04950	100.0
107.08588	5.5
109.06522	2.1
109.10176	2.6
110.41908	2.0
115.05434	9.8
117.03396	2.6
117.07037	6.1
119.04926	9.1
119.08546	7.4
120.05722	3.1
120.08147	3.1
121.02863	5.2
121.06513	18.8
121.10133	2.6
122.03634	6.8
127.03925	3.8
128.06155	2.5
129.06992	3.8
130.04140	2.1
131.04932	22.8
132.05698	3.5
133.02840	13.7
133.06442	4.7
135.04382	3.2
135.08041	3.7
137.05977	75.4
141.07019	3.1
143.04916	6.4
143.08524	3.5
144.05724	4.8
145.02832	4.2
145.06493	8.8
145.10159	5.2
146.03616	3.3
147.04382	8.4
147.08011	6.0
149.05930	11.7
151.03902	7.5
151.07495	7.5
152.06084	3.0
153.06982	3.1
155.04852	5.3
157.10146	7.3
158.03661	2.5
159.04343	3.9
159.08066	3.9
160.05211	5.2
161.05963	19.2
163.07523	8.5
165.05490	8.5
165.06924	5.1
167.08417	2.9
169.10103	2.9
171.04402	3.0
171.11525	2.4
172.05145	3.8
173.05989	7.7
174.06854	2.3
175.07574	16.3
177.05461	7.8
177.06886	4.7
178.07832	2.7
179.07037	5.9
179.08612	7.6
181.06445	6.2
183.08057	2.5
185.05971	13.0
185.09502	2.8
187.07509	7.0
188.04695	2.3
189.05460	3.3
189.07053	4.7
190.07755	4.4
191.07031	12.2
191.08456	4.0
193.06523	3.6
194.07222	4.2
195.08020	11.3
196.08899	2.9
199.07520	2.7
201.05518	5.5
202.07755	7.0
203.07028	18.9
203.08545	4.6
205.06470	8.8
206.07260	5.5
207.08044	9.8
208.08759	3.1
209.09491	4.9
211.07535	4.2
213.03908	3.1
215.06926	11.3
217.06471	4.7
218.07312	6.1
219.08101	17.8
220.08983	3.5
221.06015	5.6
221.09630	8.1
222.06726	4.6
223.07550	10.6
224.08362	3.1
230.07243	4.1
231.08139	13.7
232.08752	5.0
233.09583	2.6
234.06694	12.2
235.07538	15.1
236.08299	4.3
237.09129	10.2
238.06390	2.7
239.06894	4.2
241.08655	2.6
243.08032	3.1
245.05893	5.0
246.06816	4.3
247.07558	21.3
247.60707	2.8
248.08237	11.8
249.09050	13.7
250.06223	3.1
251.06996	6.9
252.07721	3.0
253.08572	9.6
255.10193	12.7
258.06796	3.6
259.07455	11.1
260.08051	5.0
261.05374	3.0
261.09079	8.1
262.06189	5.4
263.06976	9.3
263.10522	2.9
264.07742	5.4
265.08542	12.7
267.10098	21.1
271.07510	6.0
273.09073	4.0
275.06937	9.5
276.07620	4.8
277.08548	14.4
278.09314	5.5
279.10120	12.6
280.10834	4.5
281.08325	3.9
283.09637	4.4
285.11276	19.3
286.06311	5.1
287.07013	6.9
288.07520	3.9
289.08499	8.9
290.05936	2.6
290.09467	2.7
291.10123	13.0
292.07477	3.9
293.08090	4.3
295.09399	3.0
297.11246	3.2
301.08643	15.0
302.09415	4.0
303.10190	4.5
304.07281	3.7
305.08081	13.6
305.11591	3.8
306.08835	5.0
307.09467	15.6
309.11130	13.3
310.11951	3.4
317.08182	4.0
318.08844	5.2
319.09521	21.0
320.10556	3.4
321.11365	5.9
322.12000	3.4
323.12930	3.1
325.10812	5.3
332.10168	3.4
333.08130	2.6
333.11307	23.0
335.10242	2.9
337.10699	44.7
339.12671	4.0
345.11151	7.3
348.10001	2.7
351.12329	42.2
363.12494	23.4
365.11749	4.3
379.09283	2.8
381.13522	10.4
393.11325	3.8
395.12967	4.3
397.14319	7.3
407.12848	10.3
413.13626	2.7
425.13776	20.4
427.15341	8.2
437.13626	5.9
439.15527	14.0
445.16501	6.9
451.15610	3.0
457.16422	42.5
461.21716	4.2
469.16556	19.5
475.17343	5.2
481.08121	3.4
487.17529	7.4
505.21039	12.7
507.26743	2.5
533.11969	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.01868	7.0
58.29889	1.7
59.67102	1.8
60.86394	1.9
67.05497	3.8
69.03416	2.1
69.07025	1.7
71.59649	2.9
79.05487	5.0
81.03417	2.8
81.07053	9.9
81.98991	1.6
83.56866	1.7
85.02897	5.0
91.05492	14.5
93.07050	5.3
94.04171	3.0
95.04978	4.5
95.08611	4.0
97.02891	2.1
97.06519	2.9
103.05470	5.5
105.07016	5.9
106.96711	1.9
107.04938	6.3
107.08595	5.7
107.35001	1.6
109.06477	2.2
109.10159	3.5
115.05454	5.7
119.04906	2.6
119.08599	5.9
121.06535	4.0
121.10197	2.9
122.03652	11.4
128.06206	2.2
129.07008	2.6
131.04913	9.0
132.05725	2.1
133.06479	1.9
133.10078	3.3
137.05978	100.0
143.00185	1.8
143.04942	3.0
145.06500	3.3
145.10114	2.9
146.03629	2.3
147.04478	2.8
147.08034	3.6
149.05983	4.4
151.03918	6.2
151.07516	5.9
152.06201	2.1
153.01920	1.9
153.06950	3.3
155.04901	3.9
157.06413	1.9
160.05231	3.5
161.06023	8.5
163.07570	5.9
165.05666	2.2
165.07025	5.9
167.08601	2.1
169.10165	1.8
171.11761	3.6
172.05219	4.0
173.06052	4.1
175.07555	9.6
177.05518	3.3
181.06535	3.5
182.07321	2.9
183.04346	3.0
185.05975	5.4
187.07585	5.1
189.06966	3.3
191.07028	8.2
191.08549	2.8
193.06488	3.1
195.08080	4.7
197.06038	2.5
199.07587	3.2
202.07829	2.1
203.07016	13.3
203.08623	2.8
204.18257	2.0
205.06590	4.3
206.07211	2.8
207.08047	2.4
209.06073	2.1
209.99113	1.5
210.06761	6.7
211.07593	3.4
215.06934	8.8
217.06509	4.2
218.07343	2.9
219.08078	4.8
221.06010	4.6
222.06927	1.9
223.07605	2.8
224.08118	1.9
225.09171	6.4
231.08076	5.9
233.05870	2.2
234.06802	11.7
235.07536	6.8
237.05315	2.2
237.09163	3.2
238.06073	2.4
239.06935	2.3
243.08002	1.9
245.06052	1.9
247.07602	5.1
248.08342	3.2
249.05489	2.4
249.09105	8.1
251.07050	4.8
253.08672	10.1
257.05600	1.9
258.06833	3.0
259.07468	4.8
260.08270	2.1
262.06198	5.4
263.07068	3.9
265.08456	2.9
267.10242	2.6
268.07242	2.7
269.08173	4.8
271.07626	3.0
272.08060	2.1
273.05341	2.0
273.08810	1.7
275.10345	1.7
277.08539	17.0
278.09549	4.3
279.10406	2.6
281.08215	3.4
283.09662	7.6
284.10233	2.2
285.11395	14.3
286.06470	2.1
287.06989	2.7
288.07648	1.8
289.08194	2.2
291.10022	2.5
293.08176	1.9
294.09125	2.6
295.10110	2.5
297.11176	2.8
301.08551	9.9
302.09503	2.3
303.10187	3.6
305.08359	6.2
306.10324	2.0
307.09799	7.9
309.11334	10.7
310.12030	3.5
313.08212	4.3
317.08456	2.7
318.09009	3.2
319.09839	5.3
323.10693	5.2
330.09006	2.6
331.09729	6.0
332.10376	2.8
333.11557	10.1
334.09909	5.2
335.10620	2.8
337.10794	17.5
345.11111	5.4
350.09360	3.8
351.09790	3.2
352.10913	3.3
361.08691	2.7
362.09497	3.7
363.12015	6.8
365.11545	3.3
369.10901	2.5
375.10245	2.2
377.11819	3.2
379.09814	5.0
380.10522	3.3
383.12723	4.9
391.09042	2.3
393.11111	3.8
394.12048	3.5
395.12881	8.2
397.14734	2.6
398.11191	1.9
405.11188	5.6
409.14462	5.4
411.12180	5.9
412.13327	3.6
421.10068	2.0
422.11447	5.9
423.12363	5.2
425.13962	8.8
427.15445	27.5
437.13818	21.0
438.14612	2.5
443.14902	2.5
454.14127	5.3
455.14966	38.4
456.15387	2.8
457.16495	15.7
469.16492	31.0
475.17300	4.8
487.17340	21.0
505.20688	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	13.8
55.05499	16.5
57.07055	14.3
67.05502	100.0
69.07067	15.0
70.92056	22.2
79.05500	72.0
81.07041	99.0
84.65127	11.2
85.06601	12.8
91.05484	35.9
93.07038	72.6
95.08614	57.9
98.21472	12.8
105.07059	24.7
107.08584	41.8
109.10172	41.7
117.07014	17.9
119.08590	48.3
121.10142	52.9
123.11732	11.9
131.08542	31.6
133.10112	40.0
135.11708	53.9
145.10100	21.2
147.11650	14.4
149.13280	31.0
159.11678	22.4
173.13301	21.8
187.15079	11.4
215.17932	78.4
233.18980	93.0
307.22595	19.7
325.23706	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	505.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.9
55.05503	4.1
57.03440	2.8
67.05505	4.0
69.03440	4.4
70.85004	4.6
70.85374	5.5
71.04993	16.0
79.05489	7.9
81.03395	3.2
81.07061	10.9
85.02903	23.2
86.03274	3.1
91.05476	14.6
93.07056	6.5
95.04965	9.0
95.08595	9.9
97.02888	2.3
103.05469	5.0
104.24959	2.3
105.07015	17.2
107.04950	100.0
107.08617	6.6
108.08996	2.5
108.26518	2.4
109.10145	3.7
115.05459	7.6
117.03323	2.4
117.07011	6.5
119.01924	5.8
119.04959	4.0
119.08557	5.1
120.08121	2.4
121.02870	3.8
121.06441	4.5
128.06209	9.2
129.05470	4.4
129.06960	13.1
131.04922	12.8
131.08560	6.9
133.10033	3.0
135.08112	3.5
136.67793	2.2
137.05977	11.9
141.07024	3.7
142.07802	4.3
143.08546	19.1
145.06458	5.1
145.10109	16.1
147.04422	3.3
147.11703	5.4
149.05963	4.7
152.06203	2.3
153.07039	3.0
154.07866	2.6
155.04889	5.6
155.08572	3.8
156.09375	4.9
157.06436	4.2
157.10109	8.9
159.08124	3.0
159.11658	3.5
161.05983	8.2
165.07001	7.1
166.07780	5.2
169.10168	9.6
171.08098	4.7
171.11685	32.0
173.13226	4.3
175.07556	5.5
177.05518	5.2
177.07045	2.9
179.08566	4.6
181.10133	6.3
181.49773	2.6
182.07269	5.8
183.07985	3.0
185.05986	4.7
187.04550	3.5
187.07637	5.0
189.06978	3.8
191.06990	7.2
191.08559	3.4
195.08075	7.0
197.09615	9.9
199.11171	19.8
202.07893	3.1
203.04230	3.6
203.06927	13.0
207.08070	4.5
209.09608	4.8
211.07590	3.0
215.06998	3.6
215.10706	2.7
217.12279	23.7
219.08113	18.7
220.08847	3.7
221.09592	2.8
223.07536	13.0
225.09113	17.9
227.10727	8.2
231.08090	7.2
234.06790	3.3
235.07494	3.3
237.09032	12.5
239.07097	2.9
243.10178	31.4
245.05290	3.1
245.09515	3.7
245.11606	11.3
247.07590	17.4
248.08336	4.2
249.09082	3.5
251.07027	5.3
253.08900	2.4
255.10226	15.1
259.07532	6.9
261.09116	6.0
263.06989	3.5
264.07684	3.5
265.08643	3.8
267.10190	8.2
271.07516	6.1
273.08755	2.6
275.07071	3.3
277.08551	4.4
279.10196	7.4
280.10962	4.3
280.58273	2.3
283.09668	3.5
287.07010	2.5
289.08328	4.1
291.10156	6.7
301.08646	5.6
302.09326	2.6
303.10129	4.0
305.08148	6.2
307.09442	4.3
319.09561	4.8
333.11331	7.6
335.10095	4.5
337.10767	12.7
339.12451	3.1
347.10651	7.9
351.12387	26.4
353.11642	2.9
363.12222	7.8
364.11050	4.4
365.11865	4.7
375.10239	4.0
379.13617	3.5
381.12704	4.2
392.10242	3.4
394.12045	2.6
395.12906	6.0
395.20111	3.4
397.14240	12.2
407.12790	13.7
413.13763	2.6
413.21121	5.6
425.13867	31.6
427.15448	9.5
439.15390	14.1
441.20697	6.3
445.16550	5.7
451.15353	4.2
457.16443	34.3
469.16531	9.9
505.20953	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.3
55.05499	6.0
56.96571	5.6
57.03427	7.4
60.39661	4.6
67.05495	17.2
69.03424	16.6
69.07065	20.1
70.76176	14.5
71.04976	15.4
74.72199	3.9
76.11122	3.8
76.67982	4.2
79.05502	10.6
81.03400	13.0
81.07054	86.5
85.02903	38.5
87.00822	15.0
91.05474	20.0
93.07043	28.1
95.04958	4.9
95.08607	49.3
97.02907	16.3
97.10168	6.6
99.04479	5.9
105.01865	23.5
105.07022	47.8
107.08591	41.5
109.02865	12.9
109.10152	42.9
113.09695	6.9
116.98602	6.8
119.08584	68.8
121.10138	19.7
123.11697	15.1
127.03924	32.8
127.11194	17.2
133.10133	25.2
135.11685	16.3
143.08627	6.5
145.04926	10.7
145.10158	6.0
147.11694	35.4
149.13203	10.8
154.48714	4.3
158.77737	4.3
159.02824	5.3
159.11667	7.9
161.13252	14.4
163.14809	41.2
175.14833	12.6
203.17949	100.0
203.19736	7.8
204.18253	5.7
221.18956	28.8
231.04979	6.5
254.60370	4.4
481.08368	5.8
504.33109	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05494	1.3
59.05001	0.9
67.05497	1.7
68.02897	0.7
69.03416	2.1
69.07069	3.6
69.42598	6.5
72.08138	0.7
79.05495	10.6
81.07055	42.0
82.07368	0.8
83.08611	1.1
85.02915	5.9
87.00818	2.2
91.05485	2.9
93.07052	3.5
95.08607	5.5
97.02884	2.2
97.10158	0.8
105.01878	9.9
105.07030	4.8
107.08595	72.1
107.76561	0.9
108.08839	1.0
109.06490	0.9
109.10149	1.9
119.08559	3.4
121.10152	3.9
123.11672	1.1
127.03932	3.8
131.08597	1.0
133.10147	3.7
135.11723	1.0
137.05965	1.2
145.04980	3.1
145.10156	1.6
147.11674	8.6
161.13251	1.9
163.14821	100.0
164.15167	2.8
203.17955	29.0
231.05022	1.9
241.75964	0.8
249.06084	5.1
289.83942	0.7
306.25696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	7.2
69.03431	6.0
69.54358	5.1
70.06564	5.9
72.08147	6.0
73.58106	6.0
73.67873	5.7
82.85391	6.4
85.02918	20.5
86.09689	19.9
87.00829	8.8
91.68136	5.7
95.05002	7.8
97.02847	11.7
98.21500	13.7
103.05402	7.4
105.07053	6.5
107.04949	27.3
116.52806	5.9
127.03932	8.4
163.07533	25.0
167.07042	62.5
181.08623	6.0
195.10185	18.3
213.11232	100.0
214.59645	6.0
238.10837	7.4
251.71925	7.2
256.11707	13.6
256.15460	6.9
294.97534	6.3
321.13394	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47515	11.1
55.01857	11.2
55.05502	27.1
55.70469	8.7
56.96552	14.8
57.03424	8.9
61.02929	17.5
67.05502	46.9
69.03429	61.4
69.07056	23.0
70.79958	9.9
70.80314	25.3
79.05491	37.0
80.34503	8.1
81.03407	50.0
81.07052	96.7
83.08588	11.9
85.02908	88.8
87.00816	33.2
91.05457	28.5
93.07044	47.2
95.04953	27.2
95.08608	73.1
97.02907	42.0
97.06538	59.5
99.04445	12.4
105.01854	40.1
105.07026	84.0
107.08588	84.1
109.02868	39.7
109.10146	47.4
116.41740	8.1
119.08568	59.8
121.10140	29.0
123.11686	18.7
127.03906	57.4
133.10133	38.8
135.11679	16.4
143.08600	21.6
145.04958	28.6
145.10168	13.1
147.11674	47.1
159.02905	16.5
161.13217	20.3
163.14813	17.2
187.07523	9.6
203.17946	100.0
210.53999	8.8
221.18941	15.7
225.09134	19.6
231.04926	10.7
249.97176	7.9
267.09045	10.4
285.10083	16.6
314.70117	10.3
337.14325	9.3
355.15234	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71984	1.4
53.03947	3.8
55.01864	3.0
55.05508	26.2
57.07066	9.1
60.51862	1.3
62.90081	1.5
64.96444	1.6
66.52508	1.5
67.05499	10.2
69.07063	28.3
69.57081	10.1
71.08620	4.6
79.05486	8.0
81.03415	55.5
81.07032	9.4
83.08617	33.4
91.05473	12.2
93.07037	5.0
95.04968	17.0
95.08609	4.4
97.02885	1.5
97.10166	21.3
103.05462	1.4
105.07037	8.5
107.04962	3.1
107.08567	3.2
111.04487	1.9
111.08086	4.4
111.11718	6.9
117.06987	1.9
119.08573	8.2
121.10134	5.0
123.08074	1.7
125.13260	2.6
129.07010	5.9
131.08563	5.7
133.10120	2.2
133.35199	1.6
137.09654	2.0
145.10074	2.7
147.11703	4.3
149.09648	2.7
157.10110	5.1
175.11197	7.2
193.12239	23.9
193.13861	2.2
210.76723	1.6
237.22092	2.6
249.14813	5.2
251.17793	2.0
284.65231	1.6
503.33533	100.0
504.33289	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	503.3369
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
54.98290	20.3
55.05515	50.9
56.96543	25.2
58.55436	19.9
66.04428	20.2
67.05512	100.0
69.07069	45.6
71.59388	38.2
81.07058	58.7
82.72829	18.9
83.08614	20.8
93.07039	67.1
95.04966	24.1
95.08611	92.4
97.10228	25.6
104.99217	19.3
105.07047	48.6
107.08598	90.0
109.10153	43.9
119.08602	93.2
121.10147	62.4
123.11672	23.0
127.88725	21.4
131.08589	25.9
133.10132	51.3
135.11710	40.1
143.08522	33.9
145.10141	70.7
147.11690	28.7
149.13274	40.7
150.28976	24.1
157.10110	35.3
159.11630	48.4
175.14804	27.3
187.14864	38.2
189.16411	89.7
196.62686	22.6
203.17917	25.7
235.16989	40.0
275.20102	35.8
286.89490	23.3
304.28836	21.3
306.54953	25.9
412.64511	22.4
421.31003	63.9
423.33136	20.9
437.30106	25.7
439.32126	28.4
457.33099	37.5
467.31424	59.3
481.11871	61.2
486.19095	23.4
499.12970	29.1
503.33655	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3368
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05518	10.6
55.27844	11.1
56.82473	10.1
57.03412	10.1
58.34347	9.6
66.50977	10.5
67.05508	40.4
68.76507	9.1
69.03411	10.8
69.27339	100.0
69.27759	22.9
79.05477	16.7
81.07048	60.4
89.16528	10.3
90.74137	9.0
91.05479	27.0
93.07034	33.3
93.23109	10.2
95.08598	25.7
98.21460	16.5
105.07035	51.5
107.08595	40.3
109.10166	22.4
117.07016	10.0
119.08563	58.2
121.06556	11.5
121.10167	37.0
122.10447	11.0
123.29543	10.7
131.08585	23.0
133.10158	29.5
135.07954	9.9
135.11717	13.4
145.10120	54.1
147.04411	28.0
147.11687	23.3
148.04842	12.6
149.13251	21.2
153.01782	12.3
157.10042	16.3
159.11726	15.6
161.09689	14.1
161.13264	16.3
163.14793	12.7
171.11771	14.3
173.13226	28.3
175.14792	24.3
177.16391	46.9
185.13289	19.4
187.14819	40.3
201.16440	39.6
203.14345	25.5
222.56509	10.5
233.15395	13.6
385.08481	10.3
391.24341	15.6
391.29745	16.4
421.31027	35.2
437.30319	18.2
439.32114	17.6
457.33380	52.1
467.31345	14.6
503.10730	13.9
503.20468	11.6
503.34119	24.5
504.69501	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	503.2485
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.03946	9.0
55.01848	6.0
56.96553	11.2
58.64454	6.7
67.05492	15.4
69.03426	18.8
69.07066	11.7
70.06580	10.1
71.04996	12.8
71.05459	18.2
79.05493	10.4
81.03404	18.2
81.07040	20.3
84.08099	6.3
85.02905	45.2
85.06535	9.5
86.09691	15.0
87.00849	9.4
91.05470	8.9
93.07023	22.3
95.04935	13.4
95.08623	13.9
97.02882	8.5
97.06595	6.2
98.18875	6.1
105.07015	17.9
107.04938	13.0
107.08604	18.1
109.02850	10.2
109.06511	18.2
109.10142	14.1
119.08562	12.7
121.06541	12.1
121.10135	26.7
123.11665	8.1
127.03910	16.4
131.08586	14.0
133.10141	18.1
137.09633	9.7
149.09657	8.7
149.13301	7.9
151.11169	11.2
165.12741	37.4
173.13219	6.5
177.12531	6.3
180.66908	8.3
191.14326	21.8
209.15367	100.0
211.59091	7.0
219.05557	7.2
225.07973	22.9
243.09070	11.6
255.08975	8.1
259.08621	10.3
291.21631	7.3
301.09470	17.8
395.85306	7.5
459.14972	7.9
503.18961	44.8
516.75525	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	503.3367
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.61569	9.6
55.05511	29.7
56.96615	10.5
67.05507	59.1
69.07074	19.7
71.21602	22.3
72.59286	8.6
79.05499	34.9
81.07056	66.3
83.04957	11.6
83.08607	18.4
86.01651	9.3
89.15891	10.3
91.05486	29.5
93.07025	48.7
95.08600	57.2
97.06561	12.3
97.10136	11.0
104.99234	13.6
105.07040	42.0
107.05012	13.1
107.08581	62.2
109.10143	54.7
117.07037	14.1
119.08598	82.9
121.10175	50.4
131.08572	20.8
133.10132	37.1
135.08061	12.4
135.11655	21.5
143.08562	14.5
145.10124	32.5
147.11682	26.6
149.13278	36.8
156.09352	15.2
157.10193	23.5
159.11667	23.4
161.13258	21.7
163.14807	31.6
167.07065	17.7
171.11649	26.5
173.13194	17.9
175.14842	27.4
177.16376	53.0
179.14421	13.9
185.13292	26.7
186.96777	20.7
187.11224	11.4
187.14775	10.6
189.16393	44.1
195.83803	11.4
203.18013	23.9
204.97847	32.1
215.14281	12.1
228.54596	11.0
231.13759	13.4
235.17010	22.8
251.34911	10.4
275.20035	17.7
281.17822	11.4
335.18918	22.6
336.19470	11.5
337.47766	10.3
421.30878	30.8
439.32004	37.0
457.33279	100.0
471.18317	24.7
485.19745	27.7
485.32520	16.8
503.15793	18.2
503.33466	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	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16730	0.6
52.90396	0.6
53.03947	0.8
55.01868	1.0
56.96548	1.2
59.59878	0.6
61.02908	1.0
63.71013	0.5
67.05487	1.2
69.03433	4.1
69.07072	0.9
70.06579	2.8
70.99444	1.8
72.08142	2.3
72.53873	0.6
79.05482	3.0
81.03399	2.4
81.07050	2.4
84.04515	1.1
84.08138	1.6
85.02899	8.5
85.06541	0.8
86.09699	3.0
89.19495	0.6
91.05460	5.4
93.07031	1.3
94.04190	2.9
95.04938	1.4
95.08588	1.7
97.02895	3.0
99.04453	1.0
103.05474	1.1
104.06180	0.5
105.07027	6.5
107.04929	2.2
109.02879	1.2
109.06510	2.5
115.05448	4.8
116.98576	0.9
117.06989	1.5
119.04946	0.8
119.08574	3.3
121.06473	1.0
121.10146	1.3
122.03642	6.5
122.15112	0.6
123.08088	0.9
127.03911	2.3
128.06210	2.8
129.07027	2.8
131.04903	1.5
131.08568	0.8
132.05692	2.0
133.06529	4.6
137.05971	100.0
143.08549	0.9
145.04930	0.8
145.06442	1.7
145.10080	0.9
146.03587	1.2
146.10464	0.7
147.04396	1.5
147.08044	3.0
149.05971	1.9
151.07591	0.8
155.94341	0.6
159.08066	2.8
159.11667	1.0
160.05167	1.8
161.05974	14.1
163.07510	1.3
167.07053	1.1
169.10020	0.6
171.07935	0.8
172.05157	1.6
175.07544	27.1
184.05214	1.0
187.07526	8.6
189.07059	0.6
189.09138	1.1
190.07753	2.2
191.08565	7.0
199.07500	8.7
202.07758	3.2
203.08611	6.3
204.09303	0.9
215.13910	1.0
217.08563	1.3
218.07259	2.3
219.08014	9.1
219.13908	0.8
220.08780	3.2
231.08020	6.6
231.95145	0.7
232.08884	1.2
233.09695	0.8
235.07555	1.0
236.08308	2.1
237.02812	0.9
237.14870	0.9
243.13553	0.7
247.07596	4.4
248.08286	4.3
249.09264	0.9
251.10660	12.2
259.07480	4.6
260.08365	1.9
261.09259	1.1
261.14395	0.8
263.07123	0.8
263.10663	3.7
264.07834	0.8
265.08594	0.8
276.07861	1.8
277.08649	2.4
278.09406	0.7
279.10123	10.8
280.10773	1.2
281.08029	0.8
291.10147	9.6
292.10950	1.9
295.09955	0.8
295.13220	1.1
296.10318	1.6
299.11874	0.7
308.10345	1.3
311.12744	21.8
323.12762	13.7
324.13321	1.2
341.16226	1.0
433.96283	0.7
443.16135	0.7
459.18317	0.8
461.17526	0.6
485.19955	1.5
503.20999	17.9
503.32047	0.7
524.67889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01851	2.2
56.96560	0.8
57.03427	2.7
61.02932	3.7
69.03077	1.0
69.03426	17.2
70.06583	1.4
70.11766	2.1
70.12189	1.3
71.04987	5.0
72.08134	1.2
73.02927	1.2
79.05492	0.7
81.03414	20.6
84.08122	0.9
85.02901	19.1
86.09707	2.2
87.04466	1.5
91.03944	0.8
95.09955	0.7
97.02901	7.2
98.97538	1.2
99.04446	5.3
105.06939	0.7
107.04959	0.7
109.02854	1.5
127.03902	3.8
129.10216	0.9
133.07599	2.4
135.09137	0.7
137.05949	2.7
145.04945	2.3
160.07468	0.8
161.07104	6.9
163.08672	4.4
177.00711	0.9
179.08220	1.8
189.06595	5.2
191.08136	5.5
207.07643	100.0
208.08006	1.0
219.07709	1.0
231.07761	0.9
249.08611	1.6
287.10257	1.1
299.06262	1.0
299.11588	0.6
305.11432	1.5
323.12378	32.0
341.13437	76.0
342.13953	0.8
386.73703	0.8
443.15701	0.9
448.71167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75647	1.6
56.96569	32.1
60.04509	2.2
64.37305	1.6
66.05496	1.6
66.94944	1.8
69.03413	4.7
70.06572	4.5
71.04948	1.8
71.59880	1.7
71.95245	2.4
72.08125	3.1
75.21433	1.4
79.05491	2.4
81.03404	1.8
84.08138	3.4
84.96025	4.3
85.02879	6.4
86.09734	8.6
87.04460	1.7
91.05451	3.1
93.07028	3.2
97.02885	2.1
98.96928	3.9
98.97584	81.2
105.07023	3.4
107.08586	2.5
109.06552	2.6
110.97551	5.3
111.06445	1.4
116.98624	90.0
119.08545	1.8
121.10142	2.8
123.08047	1.5
125.95570	1.7
128.98599	12.1
129.51598	1.8
131.00145	2.0
133.06505	2.4
133.10141	2.2
134.99663	57.4
136.07471	2.3
137.05984	21.5
140.00182	4.5
143.42853	1.7
145.01707	2.2
146.99654	22.1
149.01180	2.3
149.09596	4.9
150.09099	2.2
153.00673	7.6
158.99658	23.1
159.03171	3.3
161.05954	3.6
163.02794	2.3
165.00732	4.2
166.52559	1.9
173.04855	3.1
175.02794	3.2
175.07475	6.6
177.00702	40.1
178.08501	1.9
185.04837	2.6
189.00708	2.2
189.04440	2.1
193.08743	1.7
195.01717	4.3
197.04811	4.8
199.02757	3.7
199.06377	15.1
200.02156	2.0
207.13625	1.9
211.06398	3.0
215.05894	8.4
217.07472	25.1
219.01733	4.4
223.06267	2.2
225.04356	3.4
225.07938	3.4
225.14769	2.3
229.07480	5.3
237.02745	6.5
237.07906	6.4
239.09525	1.9
241.07520	9.6
241.89548	1.8
244.96265	1.5
245.08479	2.3
248.08131	1.9
251.09679	5.5
253.07523	4.7
255.09068	12.6
259.08368	3.7
263.09512	19.8
269.10431	3.8
271.08368	3.0
273.10196	1.9
279.09357	4.1
281.10605	63.5
291.10138	3.4
297.10025	3.1
299.11707	34.8
304.12006	2.9
305.10632	2.9
311.12790	3.9
317.12534	3.6
323.11679	48.7
341.12595	16.6
364.14395	2.4
429.10034	1.9
443.15906	19.9
444.16510	2.0
445.16605	3.2
461.17004	70.4
484.18335	5.2
503.17841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
56.96563	14.6
57.13274	1.0
61.69540	1.2
61.73819	1.1
67.05495	2.3
69.07069	7.3
71.04966	1.3
71.35433	2.4
72.23062	1.2
79.05487	1.9
81.03401	2.1
81.07054	3.7
84.96024	7.6
85.02908	2.1
93.07041	2.0
95.04934	1.6
95.08597	3.3
97.06499	2.3
98.97579	29.6
98.98190	2.1
102.97062	1.6
105.07043	3.3
107.08560	1.9
110.97581	5.1
111.11718	3.1
112.99145	1.4
116.98618	25.5
119.08593	2.7
121.06461	1.4
123.08029	1.5
127.00757	1.7
128.98595	13.1
131.00151	3.9
133.10153	1.5
134.99654	21.7
135.11659	1.5
140.00211	1.9
140.98575	1.5
141.09120	1.2
143.00188	4.8
144.98119	2.4
145.01694	5.7
146.99657	14.9
149.01245	4.1
151.63943	1.1
152.98602	1.9
153.00665	1.5
158.01236	2.1
158.99712	8.6
159.11734	1.3
161.01208	11.9
162.99150	6.8
163.02780	33.0
165.00740	2.6
170.99632	6.3
173.01169	1.5
177.00720	15.8
181.00327	1.8
181.03825	20.9
184.02933	1.9
186.04370	2.2
187.02821	4.1
189.00731	6.0
189.06070	2.0
191.02267	1.9
195.01852	2.7
201.00726	3.7
203.09552	2.2
205.03818	21.5
207.01811	1.6
219.01743	20.0
223.04962	4.2
228.05362	2.6
237.02814	53.6
242.03412	2.2
245.10693	2.8
247.04993	5.2
255.03923	5.9
260.04456	3.0
269.10474	1.5
289.06027	3.5
299.06329	1.3
307.07010	4.8
329.12726	10.6
347.13794	39.4
365.15042	1.5
370.15436	2.8
371.14255	1.5
389.14737	2.9
417.17929	58.5
435.19034	100.0
436.19485	2.5
443.21274	2.9
458.20721	3.9
459.19061	24.5
477.20139	20.2
503.18951	38.9
503.30151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45244	1.2
55.05494	1.2
56.96561	16.5
58.92839	1.0
67.05502	2.3
69.07064	5.2
69.88923	7.0
71.95275	1.0
79.05492	2.5
80.55527	1.1
81.03440	2.9
81.07052	1.6
84.96031	8.8
85.02933	1.1
91.05448	2.7
93.07030	1.5
95.04967	1.7
95.08573	1.5
97.06535	1.1
98.97588	36.8
102.97089	1.2
105.07016	3.1
109.02877	2.1
110.97551	6.2
111.11725	2.7
112.99157	2.0
116.98621	28.2
119.08593	5.2
123.08023	1.6
124.99158	1.2
127.03905	2.3
128.98624	13.9
131.00172	4.3
131.08531	1.2
133.10150	2.2
134.99660	21.3
140.00204	1.8
140.98640	1.6
143.00191	4.5
144.98108	3.5
145.01749	4.8
145.10104	1.9
146.99640	14.7
147.08034	1.1
149.01254	2.0
152.98622	2.0
153.00717	3.3
158.01276	1.6
158.99678	10.3
160.96861	1.2
161.01237	13.3
161.13342	1.1
162.99164	5.3
163.02789	33.2
165.00731	2.8
167.05530	1.4
170.01271	1.6
170.99637	5.6
173.01250	3.8
177.00710	20.1
179.02278	3.9
181.03831	18.3
186.04442	1.9
187.02835	3.5
189.00639	7.0
191.02312	3.8
195.01712	2.8
200.02391	1.4
201.00716	4.1
203.09540	1.8
204.05386	1.6
205.03850	24.6
219.01761	23.1
219.05338	2.6
223.04944	3.3
227.09538	3.1
229.04024	1.9
237.00418	2.9
237.02809	53.8
242.03358	1.7
245.10661	3.5
247.04816	6.2
255.03914	5.3
260.04434	3.5
269.10559	2.5
273.13742	1.6
289.05969	5.1
307.07010	7.8
315.14624	1.5
316.89685	1.3
329.12744	11.2
330.08569	1.4
333.16257	1.5
347.13773	42.0
365.15018	2.2
370.15262	2.2
371.13620	1.1
386.28580	1.2
389.14774	2.9
417.17957	100.0
418.18188	1.2
435.19034	47.5
436.18372	1.7
458.20758	6.4
459.19095	51.0
477.20099	15.4
503.18823	24.9
503.25565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1185
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
51.42498	0.2
53.50437	0.2
54.30447	0.2
55.05503	0.3
56.96561	0.3
57.03427	0.3
67.01846	0.7
67.05471	0.6
68.99782	0.5
69.03419	0.7
69.07063	0.4
70.26876	0.5
70.27285	0.7
71.04980	0.3
79.05482	0.5
81.03391	0.6
81.07053	0.9
85.02890	0.7
87.70503	0.2
91.05431	0.4
93.07027	0.5
95.04939	0.4
95.08591	0.7
97.02872	0.5
97.06528	0.7
98.20816	0.3
103.05447	0.6
104.99223	0.2
105.03379	0.4
105.07003	0.5
107.08581	0.5
109.06458	0.3
109.10157	0.6
109.59324	0.2
111.08080	0.2
113.09751	0.2
115.05419	0.3
118.17113	0.2
119.08575	0.6
121.10081	0.5
122.64688	0.2
123.07990	0.3
123.11676	0.3
127.03890	0.4
129.03369	0.5
130.03722	0.2
131.08594	0.3
133.10115	0.2
135.11702	0.2
143.08556	0.2
145.06522	0.2
145.10094	0.4
147.04416	0.6
147.11673	0.3
153.01819	2.6
157.10028	0.3
159.11693	0.3
171.02870	0.7
171.04312	0.3
187.07590	0.3
209.05907	0.3
255.06512	100.0
256.06931	2.1
417.11642	0.6
503.11780	1.2
503.35898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01860	1.1
55.05500	1.3
57.07065	1.9
60.04503	0.8
61.01151	4.4
67.05477	1.7
69.07060	1.6
70.06588	2.7
71.04971	1.0
71.50916	1.0
72.04142	1.2
72.04517	16.2
72.08149	2.8
73.02910	2.2
77.00624	0.6
78.03780	2.9
81.03421	0.8
83.04969	1.7
84.04501	1.8
84.08125	2.1
85.02879	3.5
85.06542	4.6
86.09707	4.5
88.02213	17.0
95.04954	2.6
96.08147	1.1
98.02417	1.5
98.06061	1.2
98.98465	3.3
99.04451	3.1
99.05582	11.4
100.04021	1.3
102.03761	1.4
103.03943	6.9
105.06985	1.8
109.02856	4.9
112.07601	1.4
113.05997	4.3
114.03748	4.8
116.98671	0.9
124.07556	5.5
125.07106	2.3
126.05508	1.1
127.03912	2.3
129.10251	1.1
130.03239	1.0
130.08618	2.8
132.04790	13.1
133.06474	0.6
135.74939	0.7
141.04808	0.6
141.06598	1.7
142.08640	15.5
145.10095	1.1
149.07423	1.7
157.04327	1.1
159.05876	10.6
161.05920	1.0
166.08611	1.5
169.10120	1.1
175.05368	3.1
177.06960	1.6
183.04163	2.1
184.09697	7.8
222.02054	0.9
222.07890	1.3
231.11597	0.9
243.11632	3.2
261.12671	22.4
299.06097	1.3
303.10367	0.7
303.13647	1.6
343.16861	5.0
359.10309	4.3
387.15863	2.8
405.16888	100.0
406.17267	2.0
475.54257	0.8
478.98291	0.7
503.14929	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64487	0.9
52.63510	1.2
53.03946	1.6
53.45998	0.9
55.01866	1.9
55.05509	1.3
57.03421	1.4
59.05005	1.4
65.95515	0.8
67.05508	10.1
69.03442	5.8
69.07061	3.5
69.99061	1.5
69.99477	3.6
71.04991	1.0
73.02898	1.6
76.78822	1.0
77.05236	0.9
79.05472	3.1
81.03426	5.3
81.07067	7.7
83.08624	1.2
85.02908	14.7
86.09718	1.7
87.00813	5.1
90.48447	0.9
90.89503	1.0
91.05439	5.8
93.07041	5.7
95.04929	1.0
95.08624	7.8
97.02888	5.6
97.06524	1.2
98.20808	1.3
99.04453	1.8
105.01881	4.8
105.07017	11.7
107.08596	7.7
109.02860	5.3
109.10155	35.4
117.07006	7.5
119.08595	11.7
121.06480	1.1
121.10115	4.7
123.11696	2.6
127.03917	11.2
129.06985	1.8
129.85420	1.0
130.07809	1.9
131.08562	10.5
132.83408	1.1
133.10106	6.9
143.08549	1.5
145.04916	4.9
145.10120	21.3
147.11717	5.3
157.10123	1.4
159.02898	4.8
159.11703	11.3
161.13292	4.7
173.13280	2.4
201.16379	100.0
203.17969	17.5
204.07396	0.9
219.17395	5.6
220.58069	1.2
231.04936	1.9
243.99689	1.0
279.10944	1.1
350.35580	1.0
383.92722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94411	1.0
55.01874	2.8
57.03431	1.4
61.01171	1.3
69.03444	7.9
70.06595	4.2
70.84700	3.0
71.04984	1.9
72.08173	1.3
73.02930	6.5
79.05491	2.7
81.03422	3.4
81.07065	5.7
84.08160	2.0
85.02914	14.7
86.06100	1.6
86.09706	3.0
91.05479	6.3
93.07034	4.4
95.08598	1.5
97.01125	2.6
97.02919	6.2
103.05464	1.3
105.07031	10.8
107.08600	1.3
115.05461	1.3
117.07041	10.3
119.08572	5.6
125.04354	1.1
127.03918	2.1
128.06233	4.5
129.07011	9.6
130.07784	2.3
131.08559	10.3
133.06502	1.9
133.10159	1.5
137.05959	2.4
141.07030	3.7
142.07791	2.7
143.01627	1.2
143.08568	37.8
143.09702	2.5
145.10127	66.3
147.02635	12.2
147.04503	1.6
147.08125	2.3
147.11668	5.5
149.04190	2.2
151.70956	1.3
154.07800	4.5
155.08554	10.0
156.09373	3.2
157.10114	8.6
159.08076	2.0
159.11679	2.6
161.04230	14.3
163.05730	1.7
166.07813	1.7
169.10136	23.7
170.10919	4.5
171.08128	1.9
171.11696	25.7
172.12584	1.7
173.09616	8.0
173.13245	10.5
175.05833	2.5
175.07512	1.7
177.07463	2.3
177.09138	5.8
179.08505	1.6
181.10121	4.3
185.09665	2.6
187.11252	3.8
188.09120	1.4
189.12697	2.2
197.09656	3.1
199.11195	19.8
201.12706	3.5
203.08907	38.1
205.10457	2.8
207.04697	2.1
209.06386	3.7
213.07219	1.6
215.10721	4.6
217.12256	11.5
221.09915	7.0
227.10721	3.3
231.08382	6.2
245.11758	9.1
249.09445	44.8
251.10971	2.4
263.12762	2.6
277.08893	11.0
295.10025	26.8
323.13116	54.5
340.15784	100.0
382.16937	4.0
418.16983	2.8
466.19046	2.9
484.20227	3.2
485.18350	2.1
502.21140	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	501.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05262	3.8
55.05511	62.1
57.03434	35.7
57.07077	57.3
67.05169	5.0
67.05504	69.8
69.06718	6.1
69.07067	93.9
69.46827	4.8
69.47236	25.2
71.08627	32.2
75.04464	7.9
79.05503	29.2
81.07058	85.1
83.04974	6.5
83.08617	55.5
85.06578	5.6
85.10198	18.9
91.05486	3.9
93.07051	38.7
94.47438	3.9
95.08602	89.5
97.06550	18.3
97.10168	44.3
99.08111	5.9
101.06027	3.7
105.06957	4.7
107.08598	28.3
109.10155	45.1
111.08076	15.7
111.11703	15.4
115.07546	4.1
121.10149	36.0
123.11694	20.8
125.09639	11.0
129.09088	5.1
130.60011	3.6
131.07076	10.6
135.11714	27.8
137.13239	9.6
139.11137	6.7
149.13235	13.7
153.12662	4.9
157.12277	5.1
161.13208	4.4
163.14796	13.1
167.14273	6.9
171.13788	4.5
172.95154	4.1
177.16328	5.0
191.17802	3.4
200.98323	4.2
209.18758	4.2
223.20633	4.3
239.82097	3.3
241.21671	4.4
289.28900	14.0
307.30075	18.3
317.28333	12.8
335.29449	36.1
353.30536	3.9
371.31564	100.0
409.33182	56.0
427.34229	69.4
483.36752	24.9
501.37775	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01875	4.2
55.05508	30.4
57.03445	21.8
57.07072	10.8
61.02927	60.5
65.16756	2.3
67.05509	29.0
69.03434	32.2
69.07071	41.9
69.38610	5.9
69.39014	18.4
71.01343	3.3
71.04983	3.6
71.08616	3.9
73.02911	28.6
77.92805	2.5
79.05488	15.6
81.03418	15.6
81.07055	36.9
83.04979	5.8
83.08608	27.8
85.02905	58.0
85.10168	3.1
87.04453	3.3
91.03953	39.1
91.05473	3.3
93.07044	15.7
95.05024	2.4
95.08617	30.7
97.02889	46.2
97.06538	5.0
97.10181	16.6
98.21539	5.4
99.04456	10.4
101.02390	10.3
103.03941	4.6
105.07077	3.8
107.08595	11.6
109.02862	12.8
109.10153	18.7
111.08101	4.8
111.11726	7.4
115.03934	4.2
121.10137	22.3
122.40500	2.4
123.11746	8.9
127.03906	22.9
129.05484	2.9
131.37375	2.4
135.11702	14.6
137.13286	3.2
145.04997	10.5
147.04390	2.4
149.13295	7.7
159.06519	3.0
163.14767	2.3
167.72322	2.2
172.95277	4.6
177.16364	2.7
183.06567	4.5
191.17836	3.3
199.73146	2.6
200.98413	7.1
201.07542	4.1
209.06827	2.1
218.99493	5.8
247.24249	13.4
265.25305	30.5
301.87180	2.5
302.79388	2.4
329.09821	3.0
339.28937	100.0
367.28229	5.1
381.29813	3.0
483.33041	4.7
501.23193	3.1
501.34622	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	501.3211
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05499	10.8
62.43720	2.9
67.05489	11.7
69.07063	10.1
71.18468	6.0
79.05482	15.3
81.07050	23.8
83.04945	5.4
83.08635	3.9
91.05477	12.4
93.07043	22.5
95.04951	3.5
95.08611	26.6
95.98977	3.2
101.52058	3.1
103.05447	3.1
105.07014	29.0
107.04962	4.2
107.08598	31.9
109.06480	5.8
109.10147	11.7
113.52892	3.1
117.07034	6.1
119.07787	5.6
119.08574	60.7
121.06481	4.5
121.10153	22.6
123.11684	6.4
129.06970	5.9
130.02612	3.3
131.08578	22.4
133.10138	26.7
135.08051	4.8
135.11671	12.7
137.06026	6.6
143.08540	13.6
145.10110	36.7
147.11687	14.8
149.09560	6.2
149.13231	13.4
151.07542	8.4
151.96063	3.0
153.05412	3.8
156.09302	8.0
157.10097	16.7
159.08136	3.3
159.11700	33.5
161.09656	8.7
161.13266	13.5
163.14821	19.9
167.07068	4.9
169.10071	7.4
171.11736	17.7
173.09514	3.3
173.13303	19.3
175.14796	23.3
177.12814	5.2
177.16415	30.5
183.11758	7.3
185.13229	10.5
187.11217	6.6
187.14810	28.6
189.12683	5.4
189.16388	13.4
191.10645	3.9
191.14328	4.1
193.08717	4.8
197.13190	5.4
199.14876	12.7
201.12730	5.2
201.16357	29.8
203.14375	5.0
205.12233	6.6
210.31541	3.3
211.14888	5.1
213.12610	4.2
213.16246	4.2
215.14308	7.6
215.17973	6.7
217.15973	3.9
219.13699	5.3
222.49857	3.1
229.19409	4.8
231.13890	7.1
235.17026	4.5
245.15282	6.5
247.17052	6.8
261.14780	4.6
265.14359	33.3
279.15912	12.4
281.17453	7.8
304.50034	3.0
307.18942	11.8
407.29492	7.8
419.29382	12.4
425.30292	5.1
437.30707	27.4
455.31546	100.0
465.29932	6.9
483.30768	9.4
501.31915	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	501.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01874	8.2
55.05494	5.5
57.03434	4.7
59.04989	1.6
60.38462	1.6
61.02907	7.8
65.03918	2.1
67.05502	14.4
68.99784	11.1
69.03425	31.7
69.07061	18.6
70.06570	3.8
70.75359	4.5
71.04983	11.5
79.05491	25.7
81.03414	32.1
81.07051	41.3
83.04974	34.3
83.08606	5.8
85.02903	21.4
85.06532	6.1
86.09715	2.7
87.00833	9.6
91.05473	20.7
93.07040	55.6
95.04974	16.3
95.08610	20.5
97.02896	27.4
97.06528	28.5
99.04454	24.4
99.08047	2.0
101.06031	2.6
105.06380	2.8
105.07028	39.7
107.04938	10.5
107.08591	39.2
109.02875	27.0
109.06508	29.0
109.10135	5.4
111.08085	20.6
113.06036	2.8
117.07012	5.9
119.08574	26.1
121.06501	29.1
121.10135	8.7
123.04395	4.7
123.08086	4.7
123.11694	4.0
125.05981	31.8
127.03912	100.0
127.07533	6.4
128.06232	3.6
129.01796	5.6
129.07008	2.7
131.08553	9.3
133.06493	2.9
133.10110	13.5
135.04408	4.2
135.08064	14.8
137.05980	4.9
137.09540	3.6
139.07536	13.8
141.07034	1.6
142.07808	2.7
143.07037	27.2
143.08516	10.2
145.04947	2.7
145.10112	14.1
147.02884	3.7
147.08032	4.8
147.11681	44.6
149.05974	2.0
149.13200	4.0
151.07535	4.7
151.11182	2.3
153.09070	2.8
155.08493	2.0
156.09363	2.9
157.08601	5.3
157.10094	11.9
159.08055	4.6
159.11771	4.0
161.09613	4.0
161.13261	14.9
163.14781	2.1
165.12723	9.9
166.07637	2.1
169.04974	2.0
169.12224	13.1
171.11711	14.0
173.09590	4.7
175.11180	18.4
181.10100	2.1
189.03894	2.2
189.12746	28.8
191.10689	3.9
191.14230	2.3
193.12216	15.8
199.11195	12.6
201.09084	2.3
207.13779	25.2
211.13275	14.0
213.03911	12.4
217.12225	40.0
219.10176	4.3
225.14799	1.9
229.14206	2.6
231.05020	3.4
235.13287	40.5
235.17018	6.3
236.95103	1.8
237.11150	6.5
253.14354	37.7
271.15491	2.5
273.05994	6.5
319.15302	2.3
343.15155	3.5
353.59488	1.8
361.16641	3.0
407.75027	1.7
423.16428	1.9
457.20190	4.3
465.17673	4.8
483.18430	3.4
501.19077	8.7
501.22910	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	501.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01870	22.3
55.03961	1.1
55.05496	3.8
56.05023	3.6
56.96554	1.1
57.03437	44.3
58.03760	1.5
58.06583	3.4
59.04992	3.9
61.02924	8.9
68.04669	1.6
68.05028	32.5
69.03079	1.3
69.03430	22.0
69.05344	1.3
70.06599	6.4
71.01360	11.4
71.04990	8.3
71.59284	1.1
72.07807	1.2
72.08159	16.9
73.02512	1.3
73.02917	24.2
74.03255	1.0
75.04485	1.6
80.05013	0.9
81.03429	1.4
82.06564	2.1
83.04959	4.5
84.04451	1.4
84.08144	64.2
85.02903	53.9
85.08481	2.6
86.03249	1.8
86.06065	100.0
86.09694	1.6
87.04471	5.6
87.06384	3.6
95.02455	1.6
95.04993	4.4
96.04498	1.0
97.02889	17.1
98.97559	1.2
101.05997	0.9
101.10777	2.0
103.03954	5.3
110.06007	1.7
110.07129	1.0
111.04427	6.5
111.09196	2.1
112.05088	74.8
114.05518	16.7
115.03922	21.7
115.05794	1.0
115.08708	1.0
116.04261	1.4
116.98611	1.2
119.01854	1.1
122.71763	0.9
125.10697	1.0
126.06636	22.7
127.03890	2.6
128.07076	2.9
129.05476	10.1
129.10239	65.1
130.08636	3.6
130.10579	4.0
131.08173	2.5
132.06602	1.7
133.04956	24.4
134.05241	1.3
139.03893	1.7
139.08662	1.5
140.02309	1.3
142.05000	8.8
145.05017	0.9
147.06511	6.2
147.11272	2.5
153.10181	2.2
155.11839	2.2
157.04939	3.5
157.09761	6.8
173.02988	1.1
180.11310	1.4
181.09700	2.8
182.03423	1.9
182.12874	3.0
183.05032	1.2
183.11299	1.9
185.09215	3.3
189.00781	1.8
191.03867	4.8
193.07060	12.2
197.12796	1.6
199.10732	6.4
200.13898	2.9
201.00687	1.2
207.11342	1.5
210.12325	1.1
211.41483	0.9
216.13353	1.3
219.01709	2.4
225.12209	1.9
227.10201	6.0
228.13474	4.9
228.17021	7.4
237.02792	1.7
242.15028	8.0
243.15370	1.0
244.12811	1.0
245.05121	1.2
258.10812	3.7
260.16052	3.8
263.05981	8.5
263.15424	1.1
263.56140	1.3
269.12466	1.1
272.06433	2.6
281.19748	1.1
288.95813	1.1
299.20776	4.1
313.18802	1.2
341.18280	2.0
347.19019	1.8
353.09213	1.8
355.19818	1.4
383.19388	1.0
388.04865	1.5
392.20496	1.6
407.71967	2.4
446.91119	3.0
447.24994	2.2
454.23160	1.3
464.24008	2.6
474.23880	1.1
490.92599	3.1
491.25958	4.2
511.42773	1.0
520.76538	5.1
521.26837	2.9
521.76398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.3
64.12298	0.4
67.05482	0.5
70.52269	0.9
70.52592	0.6
71.95248	2.3
72.96025	0.9
81.07041	0.9
84.96044	2.3
85.02866	1.0
91.05460	0.8
95.08582	1.2
97.02896	0.8
98.20796	0.5
98.97596	6.2
100.52678	0.5
102.97051	0.5
105.07023	1.1
107.08605	0.6
110.97567	0.6
112.99181	2.4
116.98621	5.8
123.01210	0.7
123.04314	0.4
128.98581	1.8
131.00168	7.6
133.10121	0.5
134.99651	3.5
137.02701	0.9
143.03426	4.2
144.98076	0.4
146.99664	1.4
148.29614	0.5
149.01210	5.3
153.00720	0.6
155.03778	0.8
158.99635	3.1
162.99059	0.9
173.01236	4.5
177.00693	5.8
191.02267	6.0
195.01794	0.8
197.08493	0.8
201.00749	0.6
209.03407	0.5
212.07156	0.6
219.01762	0.9
223.10071	0.8
235.09991	6.4
241.11125	6.8
253.11116	77.2
254.11464	1.2
259.12180	9.6
271.12167	47.7
272.12640	0.8
276.12750	3.4
289.13162	1.0
294.13788	1.6
295.12192	6.2
313.13232	4.5
336.14981	0.6
337.13132	4.0
355.14206	0.5
373.41919	0.5
397.15286	1.2
415.16409	18.5
457.17465	100.0
458.17700	1.6
501.17197	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	500.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78788	0.2
67.05511	0.2
70.06591	12.6
71.59331	0.3
82.06577	0.3
83.07350	0.2
85.02872	0.2
98.83290	0.2
100.07616	41.1
128.07074	100.0
129.07413	0.4
196.71788	0.2
303.11517	0.2
454.36893	0.4
500.37326	16.4
501.37582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	21.5
67.05500	0.7
69.03428	1.2
69.07046	0.8
70.06603	0.5
71.04996	0.5
71.60055	0.6
71.60480	0.8
71.95255	2.0
72.96033	1.2
74.97588	0.7
79.05492	0.9
80.93219	0.5
81.03392	1.1
81.07067	1.1
83.86163	0.5
84.96045	2.6
85.02912	0.8
91.05452	1.0
92.98641	0.5
93.07018	1.1
95.04948	0.5
95.08614	1.3
97.02878	0.7
98.97585	9.2
101.29694	0.5
105.07033	1.4
107.04933	1.0
109.02816	0.6
109.10146	0.6
110.97572	1.2
116.98627	8.5
119.08624	0.8
121.10133	0.6
123.01182	0.6
127.03934	1.0
128.98607	1.9
131.00160	1.2
131.08549	0.6
133.10144	1.0
134.99663	8.3
137.02748	0.9
140.98586	0.6
143.00166	1.4
143.03421	4.2
145.10147	0.5
146.99634	3.1
149.01228	1.0
151.03900	2.1
152.98627	2.5
153.00720	1.7
155.03766	0.8
158.01338	0.5
158.99689	3.3
161.01187	1.8
165.00797	0.6
169.05309	0.9
170.99634	6.6
173.01256	0.9
177.00700	5.1
185.01172	0.9
189.00697	2.9
197.08571	0.8
201.00745	2.5
213.00731	0.5
215.07013	1.6
219.01779	4.1
220.99744	2.1
223.10098	1.8
226.53726	0.5
229.07307	0.7
235.10007	2.1
235.16934	0.8
237.02805	5.8
241.11108	23.1
253.11111	50.2
254.11278	0.8
255.12672	0.9
259.12186	35.6
260.12521	0.6
261.02850	1.3
264.12689	1.5
267.12735	1.2
271.12167	100.0
272.12558	0.9
276.12671	1.6
279.03970	0.9
282.13699	1.5
285.13705	1.2
287.00946	0.7
289.13251	6.2
294.13760	9.0
295.12115	2.0
305.01913	2.6
313.13217	3.9
323.02933	1.4
355.14224	2.2
385.15344	0.6
415.16571	5.3
421.15167	0.5
439.16318	3.3
457.17566	7.6
501.17099	8.9
501.29541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50956	3.7
53.03939	6.6
57.03407	5.7
61.02909	4.6
65.72279	4.0
69.03425	17.6
70.06590	16.5
70.52805	14.4
74.06058	4.8
81.03434	8.6
83.71885	4.3
84.04531	3.9
84.08171	6.0
85.02904	39.2
91.05460	5.3
97.02898	16.7
103.05457	4.1
105.07041	7.8
109.02861	4.8
109.06490	6.4
115.05453	4.2
127.03917	8.9
131.04889	7.7
131.08568	6.2
143.08575	15.9
145.06358	4.9
147.08070	10.1
157.10216	4.2
159.08054	13.7
161.05891	5.1
161.09657	10.9
162.04121	5.4
163.07529	6.9
171.08095	20.5
185.09694	7.0
186.09186	9.8
189.09154	37.2
200.10634	8.6
202.12257	10.3
205.08662	4.2
207.09857	6.2
213.09132	7.3
215.10638	5.6
231.10226	9.7
249.11252	10.0
290.13849	5.2
295.11728	100.0
302.13788	19.2
308.14883	14.7
320.14966	19.4
330.80981	4.2
338.15942	93.7
414.11536	4.8
500.14536	5.2
500.21411	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	500.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70411	0.3
56.05026	1.5
57.07066	1.3
61.88977	0.3
69.07056	0.9
70.74618	0.3
71.08633	1.1
71.34592	0.8
74.06079	4.3
76.01424	0.3
81.07055	0.4
84.04507	0.9
85.10167	0.7
86.09705	100.0
87.10041	0.3
95.08616	0.5
98.21539	0.3
102.05560	1.9
109.10154	0.4
117.42657	0.3
120.06586	5.8
130.04999	2.7
132.10223	0.4
141.27426	0.3
143.11797	2.1
171.11287	0.5
187.07127	0.5
202.36020	0.3
211.20537	1.0
215.13907	10.3
233.14960	6.6
264.02124	0.4
268.22833	1.1
272.16068	2.2
348.42322	0.3
381.31201	0.7
455.03552	0.4
464.34897	0.5
482.35883	7.4
486.77988	0.4
501.30252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01876	6.1
55.05511	22.8
57.03436	31.4
57.07059	8.3
61.02641	5.4
61.02931	78.6
67.05168	4.6
67.05508	77.4
67.89455	2.4
69.03437	45.4
69.07068	31.7
69.43041	19.6
69.43462	6.4
71.01338	4.5
71.04983	8.3
71.08647	2.8
73.02918	30.6
79.05488	28.7
81.03416	22.6
81.07063	80.5
83.04962	7.5
83.08605	19.4
85.02906	70.9
87.04509	2.7
91.03951	45.9
91.05485	19.4
93.07046	32.4
95.04965	7.0
95.08605	68.2
97.02899	66.3
97.06521	7.0
97.10178	8.7
99.04448	10.7
99.08070	3.9
101.02353	12.9
103.03951	9.9
105.07015	17.3
107.08586	15.6
109.02884	14.9
109.06538	3.3
109.10165	30.3
111.04479	3.5
111.08064	3.3
115.03929	6.3
115.75480	2.7
119.08567	15.5
121.10159	15.4
123.11713	10.0
127.03913	27.7
131.08553	3.4
133.10150	15.6
135.11693	11.0
137.13206	4.2
143.08591	2.5
145.04994	9.0
145.10199	3.4
147.11664	9.3
149.13228	6.9
157.10132	3.3
157.17697	2.7
159.06601	3.0
161.13254	8.7
163.14865	5.4
170.84540	2.8
175.14897	5.3
183.06526	8.7
189.16393	5.2
201.07616	4.8
228.85907	3.0
245.22678	12.3
263.23718	25.7
305.24844	3.7
336.79651	2.7
337.27365	100.0
371.25699	4.0
463.30432	6.0
481.31714	5.5
499.32510	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	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
53.05744	1.9
55.01857	7.3
55.05511	36.0
57.03187	2.6
57.03441	35.4
57.07071	8.2
59.05002	2.2
61.02927	68.8
65.03928	3.3
67.05505	96.8
69.03432	45.2
69.07070	40.3
71.01360	7.8
71.04989	7.2
71.08611	3.9
73.02920	30.9
75.04492	4.5
79.05496	36.1
81.03416	29.1
81.07059	100.0
83.04980	6.9
83.08619	21.9
85.02903	71.7
85.06535	4.3
87.04468	4.4
91.03959	46.2
91.05479	30.6
93.07050	37.4
95.04980	8.9
95.08607	76.9
97.02892	55.0
97.06542	11.2
97.10182	12.1
99.04456	13.0
99.08100	6.0
100.47111	2.3
101.02398	11.7
103.03955	13.1
105.07034	21.9
107.04979	3.1
107.08595	24.6
109.02884	10.6
109.06571	2.3
109.10148	33.2
109.10821	2.9
111.08079	5.6
113.09678	2.8
115.03924	4.4
117.05530	4.6
117.07054	3.5
119.08580	16.7
121.06545	3.1
121.10159	18.6
123.07999	2.5
123.11720	18.3
125.09634	3.0
127.03899	27.4
129.05464	5.4
131.08578	6.6
133.10121	16.8
135.08052	3.4
135.11691	11.1
137.13251	6.4
143.08632	3.2
145.04968	13.3
145.10150	7.5
147.11681	13.9
149.13315	9.6
151.14804	2.3
156.42627	2.0
159.06615	2.5
159.11763	3.6
161.13274	7.4
163.14828	9.5
173.13237	3.6
175.14824	5.9
176.15189	2.0
177.16389	3.4
179.14217	2.3
179.17923	2.1
183.06573	3.9
189.16377	3.4
193.16022	2.2
195.00410	2.6
199.14969	2.7
201.07599	4.5
216.76804	2.0
245.22639	14.0
261.22311	3.6
263.23712	25.2
283.09451	2.2
303.23279	6.1
305.24747	2.4
317.24789	4.5
337.27377	93.5
365.26971	6.9
371.25693	6.9
389.27011	3.3
407.28094	2.3
445.29672	3.1
463.30716	3.1
481.31873	6.4
499.32800	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	499.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.4
56.96556	12.1
67.05489	15.5
69.03410	8.7
70.06589	46.1
71.59075	6.0
71.59519	10.2
72.08135	18.2
78.45258	5.3
79.05470	6.2
81.03393	7.8
81.07047	20.5
83.08638	5.6
84.04491	14.2
84.08126	16.7
85.02891	17.0
85.06527	18.0
86.09705	17.6
92.33669	4.9
93.06975	6.6
95.08609	54.3
97.02874	9.9
98.97578	9.6
100.11221	5.8
105.07045	7.3
109.02860	5.6
109.10144	20.8
110.07136	8.4
111.04451	6.0
116.98623	8.3
117.06982	6.0
119.99984	5.1
120.08109	8.2
127.03893	5.6
129.10248	10.9
131.12234	5.3
151.14818	12.5
159.11731	7.1
163.03903	7.5
169.15897	33.2
187.16925	22.1
205.17940	16.0
239.05592	6.0
251.12549	12.2
318.89209	6.5
413.17712	23.9
455.18884	44.6
499.17670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01868	5.0
55.05507	23.5
56.51891	1.6
57.03185	1.9
57.03440	25.8
57.07070	6.9
61.02927	72.7
65.03934	3.8
67.05504	71.1
69.03431	31.8
69.03797	2.2
69.07067	30.7
69.37555	13.6
71.01350	6.3
71.04991	4.4
71.08654	2.9
73.02917	30.4
75.04473	1.6
79.05491	24.0
81.03416	20.6
81.07058	83.5
83.04980	5.7
83.08613	20.2
85.02904	65.0
85.03423	2.7
85.06541	1.9
86.09709	2.3
87.04475	3.7
91.03954	43.2
91.05472	19.9
93.07044	29.5
95.04964	4.2
95.08605	63.0
97.02891	59.7
97.06535	4.8
97.10159	10.2
99.04465	9.9
99.08134	2.5
101.02357	11.2
103.03945	8.3
104.10742	2.0
104.18491	1.5
105.07025	14.7
107.08604	16.2
109.02868	11.1
109.10151	30.3
111.04470	2.3
111.08045	2.0
111.11672	2.0
115.03918	4.3
117.05501	3.1
117.07044	2.8
119.08587	12.2
121.10146	12.8
123.11717	14.0
125.09635	2.3
127.03918	24.9
129.05484	4.6
131.08565	3.3
133.10109	11.1
135.11665	10.6
137.09596	2.4
137.13277	5.2
139.11211	2.0
143.08636	2.2
145.04938	11.4
145.10207	2.2
147.11705	9.1
149.09579	1.5
149.13225	8.1
151.11223	3.2
151.14877	3.5
153.12787	2.4
158.36472	1.4
159.06587	3.1
161.13249	9.4
163.14839	5.3
165.16414	2.8
171.06607	2.0
175.14815	6.8
179.14200	1.6
183.06535	4.3
189.16345	2.6
201.07582	4.5
211.14728	1.9
243.21202	2.2
245.22601	11.8
261.22183	2.1
263.23721	20.3
265.78018	1.7
272.74396	1.5
291.23004	1.6
305.24863	2.5
317.25000	2.1
337.27359	100.0
338.27661	3.0
365.26752	4.4
371.25598	3.6
463.30444	3.4
481.31592	4.8
499.32672	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	499.142
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
69.03397	1.1
69.93121	5.3
79.28625	0.8
85.02895	1.6
98.20689	0.8
105.76015	0.8
106.37534	0.9
113.63410	0.9
116.98630	1.3
120.09315	0.8
140.07036	1.3
164.07040	1.3
182.08139	1.8
223.07175	0.9
228.08887	1.6
237.02834	0.9
245.93616	0.8
259.10699	1.5
301.11917	1.5
329.08466	1.1
337.14044	1.8
499.14206	100.0
500.14368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43486	0.7
56.96577	1.2
57.37827	0.8
67.05505	1.6
69.03428	3.0
69.07072	1.5
70.06559	1.1
71.60313	1.2
73.02905	0.8
73.54057	0.6
75.05590	0.8
79.05481	1.7
81.03403	1.9
81.07067	1.9
85.02901	3.3
85.06551	1.1
87.00796	1.0
91.05456	1.7
93.07046	2.6
95.04978	1.6
95.08596	2.3
97.02897	1.2
97.06534	1.2
105.07020	2.7
107.08608	3.3
109.02866	1.2
109.06502	1.6
109.09520	0.7
109.10180	3.1
117.07027	0.8
119.08576	2.2
121.06530	1.6
121.10118	2.0
123.08018	1.0
123.11687	0.7
127.03941	1.7
131.08600	1.6
133.10147	2.0
135.08041	0.9
135.11742	1.3
143.08534	1.0
145.10124	3.2
147.11700	1.3
149.09631	1.3
159.11722	2.4
171.11604	1.4
173.09592	2.3
175.11206	1.6
175.14835	0.9
187.11192	2.2
187.14787	0.9
189.12756	0.9
191.14427	0.8
205.15891	1.0
215.14348	1.9
233.15295	7.3
237.02722	0.8
251.16257	14.3
279.15683	1.9
289.05341	1.2
311.11496	0.9
313.11926	1.1
314.12082	1.1
373.13898	1.4
374.14423	3.4
395.20175	1.0
413.21466	17.1
455.22543	34.5
456.22998	1.0
499.21497	100.0
500.22058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01858	0.2
55.05512	0.9
56.96567	0.2
63.02382	0.5
67.05512	0.8
69.03425	0.4
69.07047	0.2
69.29261	0.8
69.29689	0.6
70.06591	1.1
71.04992	0.2
71.93299	0.1
72.04542	0.3
72.08151	0.3
77.41868	0.1
79.05493	1.6
81.03421	0.4
81.07047	0.5
82.06604	0.1
83.04975	0.6
83.08621	1.2
84.08150	0.3
85.02904	0.3
85.06518	0.2
86.09703	0.5
88.02216	0.5
89.03914	7.9
89.71317	0.1
91.05482	0.4
92.69584	0.1
93.07048	0.4
95.04974	2.7
95.08593	0.7
97.02934	0.2
97.06491	0.2
98.02426	0.1
98.90208	0.2
98.97618	0.2
99.05572	0.2
99.07355	0.2
100.07593	0.2
100.11270	0.8
105.07005	0.3
107.04955	2.4
107.08591	0.2
109.02935	0.1
109.10124	0.3
111.04461	1.0
112.07597	0.3
113.06009	0.2
114.03768	0.2
117.03378	8.6
120.08122	0.2
123.08025	0.2
124.07609	0.2
127.03899	0.3
128.10745	1.0
129.10255	0.2
130.56438	0.1
131.08545	0.2
132.04785	0.5
135.04414	19.0
136.04718	0.2
137.06001	0.2
142.08627	0.5
145.02844	12.6
145.13306	0.2
148.50876	0.1
149.07361	0.2
159.05864	0.2
161.09657	0.2
163.03902	100.0
164.04254	1.5
177.05482	0.2
181.04935	0.5
182.15395	0.9
184.09663	0.2
186.05446	0.3
210.14919	1.0
213.07953	0.3
227.17473	0.2
228.15967	0.2
231.08971	0.5
255.16994	0.7
257.06970	0.4
261.12726	0.9
275.07974	0.3
319.08115	13.4
320.08359	0.2
328.62549	0.1
337.21048	0.2
354.27396	0.2
355.03659	0.1
355.22314	0.3
401.11261	0.3
401.21106	2.7
434.61923	0.2
481.34036	0.8
481.39725	0.2
499.12329	2.9
499.19186	0.4
499.34982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.5
57.21706	1.6
62.57761	1.5
70.06607	8.0
70.78648	1.8
70.78985	2.9
76.51589	1.3
84.08131	1.7
84.74205	1.3
84.96024	5.5
86.09676	2.4
98.97580	23.7
107.02368	1.2
110.97562	7.6
116.98620	24.0
128.98610	18.8
129.10277	1.9
131.00206	2.0
134.99651	13.4
143.00206	3.5
146.99660	18.3
149.01234	2.1
153.00703	2.6
158.99506	1.4
161.01231	4.1
165.00726	2.5
170.99620	1.7
173.01157	1.9
177.00739	4.2
182.27534	1.3
187.10936	1.5
189.00691	6.2
201.00781	2.6
207.01701	1.4
215.02509	1.4
219.01767	21.5
219.03693	2.4
223.02756	2.6
227.02251	5.7
228.03052	2.2
237.02802	48.7
241.03818	8.0
242.01112	1.6
245.03365	4.0
255.03821	7.4
259.04758	2.1
267.05334	11.0
269.06952	4.4
272.05594	7.9
274.74939	1.3
285.06436	3.9
287.07993	25.3
290.06665	8.5
297.06509	1.7
305.09241	2.9
311.07996	15.6
323.08517	1.5
329.09073	22.1
341.09296	1.9
350.06717	4.6
352.10825	1.6
353.08920	2.9
355.10617	2.6
365.09235	6.9
371.10220	1.8
383.10013	3.8
384.17282	1.9
395.10254	2.5
398.08740	2.4
413.11188	85.2
431.12329	9.1
455.12793	21.8
473.13171	1.6
499.12109	100.0
500.13055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51494	1.4
70.86495	1.9
70.86834	3.0
82.99878	2.1
93.77879	1.4
95.09338	1.5
95.20243	1.3
97.02879	1.6
101.00864	10.1
103.02452	5.8
109.02883	1.7
112.89624	2.7
113.00903	2.5
119.01927	35.1
121.03511	2.0
127.02429	6.3
131.01921	20.5
133.03506	2.8
137.02969	3.9
139.02420	3.0
143.01901	18.5
145.03468	49.3
147.01395	4.4
149.02979	3.8
155.01895	19.4
157.03476	20.6
159.05049	1.5
161.02965	27.0
163.04509	6.9
167.01909	12.4
169.03481	3.3
171.01389	7.3
171.05020	3.3
173.02966	50.8
175.04546	5.6
179.01825	3.7
183.92476	1.4
185.02960	49.5
187.04564	5.1
189.02417	9.7
191.03993	2.5
197.02931	16.1
199.00934	4.5
199.04533	3.4
201.02568	2.2
203.04012	15.8
209.02968	4.3
215.03992	12.5
216.99846	3.2
217.01939	56.0
221.05078	5.5
227.04045	8.8
229.01912	12.3
229.05418	1.6
235.03009	26.9
239.04091	1.6
245.05086	100.0
246.05263	2.1
247.03000	11.0
247.06560	1.9
250.89452	2.9
253.03987	4.4
257.05038	11.4
263.06088	12.4
265.04141	3.7
269.22318	1.5
271.02939	1.9
275.06146	14.7
277.04053	26.0
293.07263	5.0
301.04086	11.1
305.07083	10.2
319.05106	24.1
335.08145	4.1
335.89676	1.7
337.06134	32.5
337.09937	2.5
365.09222	9.5
489.66721	1.6
499.11676	26.6
522.64520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01884	0.5
55.05511	1.2
56.96571	1.2
57.03438	0.8
61.02928	0.6
67.05492	2.0
69.03431	3.0
69.07072	3.9
70.06596	1.8
70.85916	1.2
71.91618	0.6
74.47669	0.7
79.05494	1.8
81.03417	4.4
81.07064	4.6
83.08621	1.6
85.02906	4.2
85.06541	0.9
86.09734	1.0
87.00867	0.7
91.05492	1.9
93.07054	1.8
95.04973	1.3
95.08614	2.2
97.02903	1.8
97.06567	1.1
97.19095	0.7
98.09680	0.7
99.04467	1.0
100.11265	1.1
105.01849	1.4
105.07061	1.9
107.04937	0.6
107.08601	2.2
109.02888	1.4
109.06535	1.4
109.10172	2.5
111.04404	0.9
111.08095	0.9
119.08589	2.4
120.08144	0.9
121.10144	1.3
127.03895	3.2
127.11142	0.7
129.06998	0.8
131.08553	1.2
133.10136	1.9
135.11743	1.0
137.06042	0.8
137.09631	0.7
139.07527	0.6
142.07819	0.8
143.08565	0.7
145.10149	1.6
147.08054	0.7
147.11696	1.0
149.09644	0.7
150.05470	2.8
151.07530	1.1
157.10191	1.7
158.51881	0.6
159.02898	0.9
159.11662	0.8
166.05020	0.9
171.11731	1.2
173.13268	1.2
175.08797	0.7
175.11302	1.1
176.11794	0.7
182.15417	1.5
193.12302	1.2
194.12628	2.1
198.14951	1.0
210.14967	1.7
213.16356	2.2
226.14374	1.4
228.10081	0.8
231.13780	1.7
231.17496	2.4
234.99106	0.8
249.14706	6.5
249.18666	0.8
277.14133	1.1
285.17059	1.3
286.17252	1.6
291.15518	0.7
313.03574	0.7
316.96307	0.6
317.11316	1.8
317.21286	0.7
335.12280	5.3
337.21451	0.9
351.16678	0.7
353.15625	1.2
382.23547	0.8
393.18451	1.3
395.16852	4.0
411.19818	12.4
423.20139	1.1
429.20117	1.0
435.19925	1.4
439.15967	3.2
453.20917	36.1
465.17822	0.9
479.18896	2.6
497.19955	100.0
498.20483	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79791	4.7
53.03946	12.1
55.01875	5.9
55.05507	22.7
56.96573	5.2
57.03438	8.0
65.03932	9.6
67.05498	54.5
69.03439	37.5
69.03773	6.5
69.07073	29.8
69.32710	19.6
69.33140	20.9
71.04994	22.7
77.03940	4.1
79.05491	30.3
81.03415	59.2
81.07050	100.0
81.07517	7.3
83.04978	13.0
83.08605	20.4
85.02921	27.6
85.06553	14.8
86.09697	7.4
91.05489	40.4
93.07055	41.5
95.04971	12.0
95.08604	98.3
97.02887	26.2
97.06522	32.9
97.10204	6.3
98.21523	7.2
99.04442	9.9
99.08102	12.0
105.07032	39.6
107.04959	8.3
107.08608	16.6
109.02865	30.2
109.06535	12.1
109.10152	16.8
111.04435	48.4
111.08119	7.9
117.07010	6.8
119.08578	53.9
121.06503	7.9
121.10154	12.6
123.08068	12.6
123.11750	5.1
127.03909	45.1
131.08572	11.8
133.06554	7.5
133.10155	35.4
135.08067	7.4
135.11662	13.0
137.09579	5.1
137.13287	7.3
139.03926	48.1
139.07545	5.1
145.05032	5.8
145.10164	4.9
147.04414	6.6
147.08044	9.2
147.11697	6.4
149.13283	5.9
151.07545	16.5
157.10175	4.2
159.11714	9.6
161.13258	63.4
168.27129	5.0
173.11801	5.1
173.13226	6.8
177.00783	5.9
177.12877	4.9
179.14313	43.7
183.11815	4.8
191.14375	6.2
197.15396	15.5
209.15469	5.2
225.14864	7.7
233.15300	4.9
237.14835	11.7
249.36934	4.3
251.16466	7.8
287.16412	15.8
305.17450	41.6
323.18497	63.0
341.19476	17.8
372.63373	4.1
497.27615	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	497.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93310	0.6
69.03392	0.7
69.53008	2.6
69.53419	1.9
80.52509	0.6
81.07052	0.6
107.04935	1.4
127.04000	0.8
133.10085	1.1
143.01892	1.1
144.35527	0.7
161.02982	1.1
173.06070	1.1
173.13348	0.9
173.77365	0.7
203.32117	0.6
227.05240	1.2
231.13560	0.7
238.97121	0.6
249.14682	1.5
271.04239	1.0
273.13348	0.8
277.14032	0.9
289.05258	3.4
291.14368	1.8
309.15585	0.7
411.19876	10.0
435.19977	2.1
453.20975	37.9
479.18814	3.4
497.19937	100.0
498.20071	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
56.96558	1.1
67.05488	0.7
69.03405	0.8
70.06595	4.5
71.59753	1.1
72.08149	1.7
79.05482	0.7
81.03367	0.5
84.04492	0.7
84.08137	1.2
85.02885	1.6
86.09715	1.6
91.05484	1.0
93.07034	1.0
98.97579	0.8
102.05536	0.6
105.07058	0.8
107.08619	0.7
110.07149	0.9
116.98594	0.7
119.08542	0.6
120.08112	1.5
123.04411	0.8
127.03911	0.8
129.10222	0.8
136.07576	1.8
137.05963	1.1
145.10207	0.7
167.07076	0.6
196.99843	0.5
200.09203	1.1
207.08690	0.8
221.05823	0.6
225.09605	0.6
231.08801	0.7
245.06400	0.6
249.05632	0.7
249.10931	3.6
267.06427	1.0
267.10727	4.1
279.13687	0.5
285.11835	0.8
289.05270	3.3
291.10931	0.7
295.06104	0.7
309.11819	1.8
323.13583	0.8
341.06577	1.9
396.89676	0.6
411.16135	6.3
448.25964	0.7
453.17227	39.8
454.17825	0.8
479.18689	1.8
497.16232	100.0
498.16946	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1805
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
50.12047	0.8
55.01873	1.3
55.05509	2.9
56.96547	1.4
67.05508	7.0
68.99783	1.4
69.03450	0.9
69.07067	1.4
71.15127	1.5
79.05486	2.0
81.07063	4.7
83.10856	0.8
85.02892	1.2
91.05460	1.5
93.07030	1.1
95.08604	1.9
98.97608	1.3
105.07046	1.7
107.04930	1.5
107.08595	1.4
109.10181	2.2
115.05435	1.2
116.98649	1.6
118.65733	0.9
119.08609	1.5
123.79208	0.8
133.10112	1.2
133.36931	0.8
134.99617	0.9
135.11710	1.4
139.03899	1.7
141.07037	1.0
143.37970	0.9
145.10155	1.0
147.04414	1.1
153.01822	30.7
159.43739	0.9
161.01122	1.1
165.06937	1.5
171.02917	1.5
173.66600	1.0
180.71213	0.9
181.06517	1.0
185.06026	2.8
187.03802	0.9
195.08025	1.0
197.05969	3.7
210.06302	0.9
211.07706	1.3
237.03075	1.0
237.05482	2.4
249.14859	1.2
251.06915	1.1
253.05029	1.3
258.05267	3.9
265.04947	3.6
267.06546	1.7
275.07166	2.1
279.06546	1.2
281.04385	3.4
282.05130	2.0
283.06158	1.0
286.04770	3.9
293.04227	1.1
294.05151	1.1
295.05978	6.1
297.03915	4.9
298.04868	1.8
299.05441	1.6
303.06509	7.9
307.05960	2.5
310.04739	1.3
311.05478	10.0
312.05774	1.2
321.03992	2.1
321.07574	4.1
322.04825	1.2
323.05499	26.9
324.06226	3.9
325.07184	1.3
327.05164	1.3
331.06012	11.4
332.06781	1.4
334.04712	1.0
335.05685	1.2
335.21939	0.9
337.07178	5.4
349.07040	12.1
350.07788	13.8
351.08838	1.7
363.08557	2.8
433.16422	27.2
451.17731	1.9
461.15958	100.0
462.16220	1.4
477.60645	1.0
479.16992	83.3
480.17227	2.5
497.17969	12.5
497.27069	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	497.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96509	0.3
67.05453	0.4
69.03365	0.5
69.48228	0.8
69.48653	1.4
70.06525	0.3
71.04951	0.4
79.05443	0.5
81.03345	0.3
81.07011	0.6
85.02904	1.3
89.83997	0.3
91.05405	0.7
93.07006	0.4
93.07552	0.2
95.04910	0.3
95.08549	0.6
97.02815	0.5
98.20698	0.3
105.06982	0.4
107.04890	0.5
107.08528	0.5
109.02820	0.3
109.06425	0.2
109.10104	0.3
117.06948	0.3
119.04848	0.4
119.08528	0.5
120.08029	0.3
121.10071	0.3
127.03829	0.5
133.10088	0.3
137.05936	0.6
138.93243	0.2
142.07703	0.2
145.03368	0.3
145.10036	0.3
147.04338	1.1
149.05928	0.4
151.03822	0.5
153.01791	1.7
172.19991	0.3
175.07483	0.3
185.13190	0.5
229.04938	1.1
257.04495	0.6
258.05234	29.1
259.05609	0.8
269.04562	0.3
286.04712	49.7
287.05148	0.9
301.07053	100.0
302.07407	2.3
311.05487	1.1
341.06726	0.3
368.95624	0.3
497.14590	12.3
497.26688	0.5
498.15768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01870	0.9
55.05508	1.3
56.96560	0.6
57.03423	0.6
60.40461	0.5
67.01864	1.4
67.05500	1.2
69.03429	8.2
69.07074	1.0
70.49352	0.8
70.49748	1.1
71.04986	1.4
73.02922	1.2
79.05498	1.8
81.03416	4.7
81.07047	3.0
83.08642	0.5
84.04523	0.5
85.02901	2.9
85.06538	0.8
87.00844	0.6
91.05489	2.1
93.07039	1.5
95.04984	2.0
95.08606	2.1
97.02904	2.2
97.06544	0.5
98.90075	0.4
99.04455	1.8
100.11257	1.0
105.07023	2.1
107.04954	68.9
107.08585	1.0
108.05299	1.2
109.02871	4.9
109.06525	0.5
111.04453	1.1
115.05454	5.5
116.98637	0.5
117.07027	3.4
119.08549	1.2
123.04400	0.6
127.03918	16.3
131.04919	0.9
133.10135	0.8
143.08466	0.6
144.05702	30.4
145.05125	0.8
145.06488	12.5
157.10080	0.6
161.13254	1.9
173.05983	100.0
174.06259	1.7
179.14273	1.8
191.00134	0.7
197.05972	1.5
201.05481	0.9
212.73914	0.5
215.07045	2.0
219.06496	4.8
231.13771	1.4
237.02667	0.7
249.10999	4.1
249.14807	1.5
261.07330	1.1
271.18976	0.6
279.08316	2.6
289.05231	1.2
307.09729	1.4
345.09561	1.8
359.73077	0.5
363.10568	1.7
411.16626	1.5
453.21060	1.1
479.18753	1.4
497.18915	5.9
520.70154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05030	0.4
57.03434	0.2
57.07075	0.8
58.06351	0.1
58.06615	0.4
59.07394	0.2
60.08161	6.5
60.83023	0.1
67.05504	0.3
69.07059	0.2
69.32120	1.4
71.07373	2.7
71.08629	0.5
78.91644	0.1
81.07063	0.3
83.08633	0.1
85.10174	0.2
86.09705	31.4
92.75636	0.1
95.08588	0.4
98.98457	2.8
101.89015	0.1
104.10747	3.5
104.28757	0.1
107.08572	0.2
109.10149	0.2
111.98019	0.1
118.83997	0.1
125.00005	20.7
143.01056	0.3
158.86304	0.1
184.07338	100.0
184.77840	0.1
185.07671	0.6
258.10953	0.2
313.27335	0.3
478.32990	1.0
496.33990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.7
60.84798	2.7
67.05507	3.3
69.03416	5.1
69.77114	10.8
69.77523	7.0
70.06595	13.8
72.08147	13.3
73.08465	5.0
79.05462	4.6
81.03408	4.3
84.04507	2.9
84.08118	6.4
84.96003	10.2
85.02879	11.0
86.09690	7.7
87.10074	2.5
91.05461	3.8
93.07049	5.2
97.02860	3.2
98.21404	5.9
98.97586	41.0
103.05414	3.2
105.07024	30.8
105.14259	2.7
107.04889	2.8
110.97552	9.4
115.05415	4.3
116.98617	40.2
120.08104	10.5
121.29143	2.8
124.38168	2.7
125.08080	2.8
127.03894	3.1
128.98616	26.6
131.00139	4.6
133.06482	34.3
133.10045	3.2
134.99660	34.4
136.07594	3.3
145.01617	3.5
146.99631	35.1
147.11682	3.4
149.01212	6.9
153.00696	3.1
158.99640	3.5
161.01248	14.1
161.05977	63.8
165.00653	6.2
170.99677	5.1
177.00674	11.7
189.00682	10.7
193.08655	28.3
201.00670	5.1
213.00746	3.0
219.01608	31.9
222.01991	8.2
228.33559	3.1
233.04362	3.8
237.00439	5.3
237.02789	79.9
240.03044	5.4
247.02466	5.4
247.12863	3.1
247.33546	2.9
252.03024	14.0
255.03806	11.0
261.03030	4.1
270.04089	17.4
278.04590	4.2
279.03738	5.8
288.05154	6.2
289.03372	10.9
309.06464	8.9
317.02866	15.2
317.11310	3.9
321.06656	3.7
326.06735	5.4
327.07452	18.5
335.04022	28.2
335.12399	6.5
348.05237	6.3
351.07748	5.8
363.07397	9.1
381.08490	5.4
393.08505	3.9
411.09549	35.6
429.10684	61.9
452.12207	6.9
453.11282	16.5
453.17365	3.4
471.11624	5.4
497.10416	100.0
498.10800	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
55.40243	1.6
56.96562	2.2
57.03440	3.7
57.07063	3.3
57.81574	1.7
60.08149	6.5
61.02918	3.7
66.20721	1.8
67.05502	7.0
69.03432	8.4
69.07061	5.9
70.06584	2.0
71.07354	3.1
71.60126	2.4
73.02885	1.9
79.05492	10.4
80.80605	1.7
81.03410	4.5
81.07057	100.0
83.12009	1.8
85.02905	52.6
85.03421	2.6
86.09707	32.9
91.03938	2.7
91.05487	4.4
93.07024	3.1
95.04956	2.0
95.08597	26.5
96.53979	1.8
97.02898	11.9
104.10748	20.2
109.02866	6.6
109.10143	3.0
124.99989	17.8
127.03931	16.8
132.44275	1.9
135.11736	1.9
137.05966	2.6
137.13255	24.6
145.04961	21.8
147.04388	3.8
163.06079	10.3
184.07333	79.8
213.14827	6.6
226.62698	1.8
229.07489	9.9
247.08575	8.4
249.14948	2.6
361.02228	13.6
379.03284	3.8
467.90799	2.1
467.98233	1.8
478.29303	3.4
496.31076	2.1
497.11102	8.0
515.12177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.70495	0.5
56.05038	1.3
57.07076	3.3
58.06598	2.1
60.07884	1.1
60.08165	16.1
64.69843	0.6
67.05494	1.4
69.47223	0.5
69.92365	1.2
69.92778	1.8
71.07374	5.9
71.08632	3.0
83.08592	0.6
85.10207	0.8
86.09705	50.6
91.55249	0.6
95.08594	0.9
98.98479	3.5
104.10741	100.0
105.11025	0.7
125.00002	28.3
184.07341	94.6
185.07736	0.9
194.46092	0.5
205.27682	0.5
208.60945	0.5
258.11023	1.5
259.55603	0.5
313.27313	1.6
478.32883	9.7
496.34015	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.7
55.05505	3.7
56.96573	1.0
57.03432	1.4
57.07071	4.0
61.02954	0.6
61.70642	0.8
67.05494	3.6
69.03420	8.7
69.07060	4.5
69.75079	0.7
71.02629	0.9
71.04992	2.0
71.08635	3.0
71.59931	1.6
79.05486	8.5
81.03405	4.5
81.07047	5.6
83.04991	4.4
83.08612	1.7
83.21131	0.7
85.02903	11.0
85.10187	10.9
85.10674	1.5
86.09751	1.1
87.00810	5.2
91.05486	2.4
93.07040	8.9
95.04978	1.2
95.08624	4.9
97.02901	3.9
97.06505	4.5
99.04468	1.5
99.08080	5.0
105.01881	3.4
105.07018	1.1
107.04949	1.7
107.08582	4.6
109.02875	3.3
109.10151	2.2
111.04454	4.4
111.08067	2.3
111.45045	0.8
113.09641	14.8
117.06990	1.1
119.05038	0.9
121.06490	1.0
121.10129	1.4
125.06001	2.2
127.03910	5.0
129.05482	10.2
133.10147	1.6
135.11697	14.5
137.05971	1.6
139.07590	0.9
145.04955	2.1
147.04404	1.9
149.13257	7.7
151.11203	2.0
153.12741	32.0
167.14357	3.4
171.13840	4.3
177.12761	2.6
179.20634	0.9
184.54610	0.7
195.13795	20.2
213.14853	100.0
229.05156	1.0
231.15926	15.2
258.05231	14.7
286.04715	20.1
301.07056	38.5
342.06943	2.3
372.07990	1.6
496.12509	1.2
497.14453	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	496.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.1
56.96563	5.3
67.05492	12.6
69.03420	9.5
69.07061	6.1
70.06580	11.9
71.04975	10.7
71.60135	4.2
71.60516	4.8
73.02913	3.8
74.54936	3.8
79.05477	9.5
81.03441	7.4
81.07057	20.9
83.06080	12.0
85.02917	19.0
86.09700	9.6
87.00811	5.5
91.05476	16.6
91.62452	3.8
93.07032	26.9
95.08596	16.3
97.02895	8.6
97.06510	6.7
102.00996	4.0
105.07038	12.2
107.04947	5.6
107.08599	10.3
109.02910	5.9
109.07677	5.5
119.08578	5.1
121.10136	8.7
127.03912	11.0
129.06561	8.6
131.08600	7.4
132.78441	4.0
133.10104	17.8
135.04437	7.3
135.11687	23.1
145.10161	4.7
146.05991	4.6
149.09589	5.7
149.13261	7.4
155.08167	8.2
159.11647	20.8
163.03920	45.3
164.04221	5.5
167.10699	4.5
177.12747	33.1
195.13808	50.2
203.08670	4.6
213.14873	34.5
213.59053	4.2
231.04518	4.4
231.15884	11.0
249.14587	4.8
299.14926	19.9
312.80252	4.0
325.09167	7.6
410.17966	7.5
452.19714	25.4
453.20660	6.0
478.17810	4.3
496.18552	100.0
496.25522	5.6
497.20068	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
55.01870	4.9
55.05511	21.7
57.03180	3.1
57.03436	38.2
59.04967	3.5
60.22179	2.5
61.02923	79.6
63.72335	2.7
64.17522	2.6
65.03929	8.3
66.08857	2.4
67.05503	100.0
69.03431	46.1
69.07063	19.9
71.01342	7.0
71.04974	7.3
73.02912	34.1
75.04467	3.5
77.03918	3.6
79.05492	85.3
79.05953	4.3
81.03411	29.4
81.07054	70.4
83.04965	9.7
83.08612	7.1
85.02906	79.6
85.06546	5.4
87.04472	4.0
91.03951	51.4
91.05480	98.5
93.07041	77.5
95.04967	18.8
95.08039	4.2
95.08604	52.7
97.02891	59.9
97.06521	7.9
99.04431	13.4
99.08117	5.3
101.02364	17.7
103.03940	13.4
103.05430	3.0
105.07025	63.7
107.04968	5.4
107.08584	36.8
109.02878	12.5
109.06545	4.4
109.10142	21.0
111.04403	3.3
111.08070	4.6
115.03880	6.3
115.05488	3.4
117.07008	29.2
119.08582	57.9
121.06513	3.8
121.10134	34.5
123.04348	3.0
123.08067	8.2
123.11705	6.9
127.03915	22.5
128.06204	4.2
129.05470	8.4
129.06993	21.4
131.08560	34.9
133.06450	2.9
133.10123	33.9
135.08078	7.4
135.11658	16.5
137.09593	6.6
138.71230	2.5
139.52991	2.6
141.06985	4.6
142.07726	2.9
143.08565	15.3
145.04965	7.3
145.10110	22.9
147.11671	19.3
149.09612	8.3
149.13248	12.9
151.11174	4.7
155.08536	5.1
157.10114	15.2
159.06679	3.4
159.11674	20.5
161.09662	4.0
161.13235	40.5
163.11156	8.6
163.14743	2.8
169.10159	5.9
170.10930	2.6
171.11673	18.0
173.08189	2.6
173.09625	4.3
173.13255	16.2
175.11179	7.8
175.14790	13.8
177.12772	4.6
183.06563	6.5
183.11687	6.2
185.13275	9.6
187.14861	6.2
189.12720	3.6
195.11641	3.2
197.13303	3.6
199.11093	2.7
199.14708	6.6
201.12816	3.7
209.13358	3.3
209.37253	2.3
213.16315	4.5
215.14230	3.2
217.19467	2.9
229.62187	4.0
239.17976	4.2
241.19440	13.4
257.19055	4.6
259.20605	14.0
275.19879	2.7
333.24216	35.8
352.55002	2.6
375.25256	2.9
441.26581	2.7
459.27298	4.2
459.43292	2.3
477.28427	3.6
495.29639	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.1
55.01864	15.2
55.05514	36.1
56.96566	3.8
57.03440	40.0
57.07069	4.9
59.04995	3.4
61.02924	53.3
65.03953	4.5
67.05162	6.3
67.05503	80.3
69.03429	55.2
69.07071	32.2
70.09274	14.9
70.09689	7.4
71.01335	9.1
71.04984	14.8
72.04060	3.4
73.02915	43.1
79.05053	5.6
79.05495	76.8
81.03429	33.5
81.06586	4.4
81.07056	76.9
83.04980	16.6
83.08625	13.2
85.02910	60.2
87.04469	4.7
91.03960	31.5
91.05483	93.0
93.05747	4.1
93.07040	100.0
95.04961	29.2
95.08604	57.9
97.02882	49.3
97.06540	14.1
97.10108	4.5
99.04441	11.1
99.08089	5.4
101.02380	10.9
103.03948	7.6
105.07040	90.1
105.36348	3.4
107.04952	19.9
107.08591	59.7
109.02880	7.7
109.06532	12.5
109.10157	20.7
111.04417	9.3
111.08078	7.3
115.03913	9.0
115.05451	8.2
117.07019	43.8
119.08568	72.0
121.06512	9.9
121.10136	40.7
123.04409	6.9
123.08072	5.6
123.11657	5.2
127.03949	21.1
128.06247	7.4
129.05458	11.0
129.06975	33.7
131.08572	71.9
133.06505	9.7
133.10117	49.8
135.08005	6.8
135.11691	27.4
137.09622	6.4
141.07030	9.4
142.07835	7.6
143.08543	32.7
143.77177	3.6
144.09317	4.0
145.04968	6.5
145.06470	10.4
145.10129	56.5
147.08046	12.1
147.11665	33.7
149.09608	10.8
149.13261	22.0
152.64117	3.5
153.07010	4.2
155.08533	16.5
157.06534	4.5
157.10164	27.6
159.08080	8.0
159.11655	37.8
161.09604	10.7
161.13251	19.9
163.11189	4.9
167.08549	9.7
169.10094	17.6
171.08055	9.0
171.11696	27.3
173.09607	7.6
173.13239	23.1
175.11212	11.9
175.14816	9.1
177.12744	3.7
181.10130	9.5
183.11700	16.9
185.09683	5.6
185.13254	21.3
187.11072	4.1
187.14861	12.4
189.12766	4.6
189.16441	4.0
191.10742	5.7
193.12299	5.3
195.11650	8.9
195.13753	3.5
197.09669	4.6
197.13252	10.2
199.11224	4.9
199.14816	12.7
201.12740	4.6
203.14290	6.0
207.89601	4.0
209.09714	5.2
209.13335	7.6
211.11137	6.3
211.14816	7.1
213.12759	5.9
213.16464	7.1
215.14326	4.1
223.14743	4.4
225.12617	5.5
233.13234	4.4
241.19536	16.2
254.31625	4.9
255.21088	4.5
259.20541	19.0
268.69992	4.4
271.20428	11.0
275.20245	5.3
283.20624	7.8
285.22272	6.2
287.19968	5.6
289.21667	5.4
295.20560	3.9
301.21628	10.2
313.21527	12.4
325.21658	6.5
331.22684	6.7
333.20358	19.8
333.24249	53.6
339.23215	8.6
343.22467	6.7
345.24170	7.2
349.21472	7.6
349.24377	4.0
357.24057	4.0
361.23749	7.6
363.25256	4.9
367.22568	19.7
375.25278	16.8
385.23779	14.3
387.25375	6.8
403.24924	7.4
417.26279	7.6
423.25253	4.7
429.26715	9.6
441.26352	45.5
459.27432	31.3
477.28662	32.7
495.30261	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05512	1.9
56.96569	2.7
57.07050	0.7
58.78925	0.7
67.05490	3.7
69.03436	2.4
69.07087	1.4
69.37025	6.6
69.37447	1.8
70.06586	1.3
70.76079	1.0
79.05502	1.5
81.03411	1.3
81.06635	0.8
81.07045	4.7
83.08621	1.2
85.02917	2.6
85.06539	1.5
91.05491	2.2
93.07055	3.4
95.04985	2.3
95.08613	3.1
97.06518	2.1
98.97562	1.4
104.01968	0.7
105.07043	3.2
107.08601	2.2
109.02883	1.5
109.06539	1.7
109.10168	1.5
111.04451	0.8
111.08043	1.0
116.98615	2.0
117.07000	0.9
119.08593	2.6
121.06478	1.0
121.10155	1.7
123.11737	1.0
124.47632	0.8
127.03908	1.8
127.14382	1.0
127.28760	0.8
131.00117	1.0
131.08556	2.0
133.10153	1.8
134.99651	1.7
143.08537	1.0
144.09523	0.9
145.06551	1.0
145.10101	1.8
147.08057	1.3
147.11685	1.1
147.95062	0.8
149.13254	1.0
161.25661	0.9
165.09155	1.4
173.09703	1.2
175.11276	0.8
177.00700	1.2
185.06532	0.8
195.13879	1.0
220.12843	0.8
229.12114	2.5
237.02612	1.2
241.08983	1.0
245.06517	1.0
247.13116	11.3
275.12582	4.8
280.18338	0.9
289.11203	3.0
391.17270	2.3
392.01132	1.0
409.18457	20.0
427.16275	1.9
451.19421	56.4
452.20016	1.6
495.18350	100.0
496.18814	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29824	0.6
55.05513	8.9
55.86832	0.6
56.05024	3.6
56.96573	1.1
57.05816	0.9
58.06608	1.7
67.05488	0.8
69.03439	1.6
69.07056	0.8
69.97691	2.8
70.06580	2.7
71.04955	1.0
72.08153	100.0
74.06082	7.5
81.03411	1.5
81.07064	0.7
84.04490	6.5
84.08136	1.4
85.02917	3.8
86.09698	3.1
87.00839	0.8
91.05479	2.5
93.07052	2.4
95.04982	1.0
97.02892	1.2
98.97608	0.8
101.07139	5.8
102.05563	3.2
103.05453	4.2
105.07069	1.6
109.02890	0.9
110.09679	2.1
112.03940	1.5
116.07112	0.7
116.98586	1.3
117.07046	0.9
119.07317	2.3
119.08566	0.8
120.08099	100.0
121.08427	1.6
123.24258	0.6
123.25143	0.6
127.03900	1.2
127.12270	0.9
128.10764	3.7
129.10223	1.7
130.04976	4.8
131.04916	1.0
136.07545	1.1
137.05922	0.8
137.88123	0.6
138.09116	0.8
146.99585	0.7
148.06042	18.6
155.11749	2.4
158.09615	4.0
159.09148	2.5
167.07016	1.0
173.12848	16.8
176.10709	28.3
183.11298	3.1
186.09117	6.5
201.12357	5.6
203.11760	1.0
213.11081	0.7
214.08618	0.7
221.12863	13.4
229.11794	1.4
231.11284	27.7
237.02596	0.8
247.12883	45.4
249.12369	13.9
283.33420	0.7
285.15918	1.8
291.42767	0.7
295.12689	1.1
302.18634	1.3
330.18130	20.4
346.68582	0.7
348.18359	1.9
477.23102	2.2
489.21280	0.7
495.23975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
55.92728	0.4
56.96571	2.1
67.05498	0.6
69.03434	0.7
69.07059	0.8
70.06572	0.7
71.04989	1.0
71.36898	1.0
79.05486	0.6
81.03430	1.0
81.07051	1.8
84.96014	0.4
85.02902	1.7
85.06537	2.3
91.05472	0.8
93.07059	1.3
95.08614	1.3
98.97586	4.6
100.08435	0.6
105.07061	0.5
107.08599	1.5
108.08884	0.6
109.02824	0.5
109.06541	0.6
109.10152	1.9
110.10469	0.7
111.08099	0.5
116.98618	4.2
119.08605	1.0
121.10143	1.4
123.11707	0.7
127.03866	0.4
131.00188	1.2
131.08568	0.7
133.10164	1.0
134.99652	1.9
135.11690	2.2
136.12016	1.0
142.96559	0.6
145.10188	0.7
147.11685	0.6
149.01228	1.4
149.13274	0.8
150.13614	0.5
151.85585	0.4
153.12738	1.0
158.99712	1.3
171.11737	0.8
173.01230	0.6
175.14885	0.8
176.15201	0.5
177.00726	1.8
191.02266	1.6
199.48346	0.5
201.00755	0.5
202.98602	0.5
211.16922	5.8
212.17265	7.4
215.10428	0.8
219.01764	1.0
229.12140	1.2
237.02835	0.8
244.99698	1.3
247.09764	0.7
247.10542	0.8
247.12991	4.9
247.17143	0.6
263.00894	0.5
273.15244	0.8
275.12512	6.7
282.65796	0.6
289.05414	0.7
289.11200	1.1
289.14133	0.7
305.13586	0.9
307.12198	2.6
325.13284	0.6
359.75583	0.5
361.16245	0.9
375.11499	0.5
391.17264	6.8
409.18628	4.1
427.16385	0.8
433.17905	0.7
451.19431	20.8
473.43271	0.5
477.17349	0.7
495.18350	100.0
496.18701	2.5
498.97333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1839
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05498	0.5
56.96554	0.8
67.05514	0.7
69.03424	0.9
70.06582	0.9
70.20100	0.7
70.20509	1.5
71.04986	0.6
72.08147	0.8
74.06093	0.5
79.05479	0.8
80.30405	0.4
81.03420	0.7
81.07054	1.3
83.06105	2.6
84.04497	0.7
84.08121	0.5
85.02913	1.2
85.06535	0.5
86.09701	1.4
91.05479	1.3
93.07035	0.7
97.02904	0.6
98.97598	0.7
99.04456	0.4
105.07027	1.8
107.06105	0.6
107.08599	0.5
109.06490	0.7
109.07652	1.7
109.10155	0.6
111.89827	0.3
116.98668	0.6
117.06999	0.7
119.01914	1.4
119.08561	0.8
120.08101	0.8
121.10138	0.5
123.08047	0.6
129.06543	1.8
131.08537	0.7
133.06538	0.5
133.10150	0.7
134.10548	0.4
134.99660	0.4
135.04370	0.4
135.11682	0.4
137.02980	0.5
143.01913	0.7
143.08572	1.2
145.10132	2.1
147.11676	0.6
149.09654	1.1
153.06627	0.8
155.08177	1.8
157.03555	0.5
161.02975	1.2
161.09624	0.4
163.03922	2.6
169.10086	0.7
171.11716	1.1
173.02991	1.0
173.09634	0.4
173.67992	0.4
175.04517	0.4
188.46825	0.4
189.12794	1.1
192.63939	0.4
199.07210	0.9
203.03511	0.8
203.08870	0.6
213.64832	0.3
221.04955	0.6
227.05293	0.8
229.12083	0.6
231.02737	0.5
233.05931	0.5
237.02809	0.5
245.11539	0.5
247.13124	3.7
265.12915	1.0
271.04291	0.6
275.12625	1.7
281.10641	0.4
289.05334	0.5
289.12958	1.4
307.13879	1.2
315.13647	0.5
319.14072	0.5
333.06006	1.0
338.14377	0.6
349.14954	0.8
391.12454	0.5
391.17145	1.3
409.18195	11.1
427.17899	0.9
433.18243	0.5
451.19379	34.4
452.19699	0.7
452.51465	0.5
477.16595	0.7
495.18341	100.0
496.18451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.2
66.78432	0.5
67.05499	1.2
69.03427	1.7
69.07059	1.1
70.80498	0.4
71.04983	0.5
71.59748	0.9
72.08163	1.2
73.02894	0.4
74.06091	0.6
79.05498	1.6
81.03407	1.4
81.07051	2.3
83.04965	0.7
84.08152	0.6
85.02906	3.0
86.09732	0.7
87.00829	0.5
91.05472	1.0
93.07039	1.4
95.08614	1.6
97.02905	1.4
97.06497	0.6
98.97611	0.8
102.67078	0.5
105.07034	1.3
107.08607	1.1
109.02879	0.7
109.06511	0.5
109.10162	1.0
109.37803	0.5
116.98592	1.1
119.08584	1.2
120.08122	2.0
121.10129	0.6
123.08049	0.7
127.03938	1.2
131.08626	0.8
133.10143	0.9
135.08090	0.9
136.07526	0.5
137.09673	0.6
145.10158	1.1
147.04359	1.3
147.08070	0.5
171.11752	0.6
203.05325	0.7
204.10243	1.2
229.11989	15.4
235.10785	0.6
237.02776	0.9
245.06361	1.6
247.13104	6.1
247.17047	0.9
275.17651	0.6
283.13828	0.6
289.05307	6.0
289.12994	1.4
300.98407	0.5
307.13953	0.7
409.18634	7.4
451.19421	27.2
495.18375	100.0
496.18735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1834
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
53.11457	0.4
62.37405	0.4
63.29163	0.4
65.21835	0.4
65.46580	0.4
67.05486	0.9
69.03413	0.5
69.80450	3.2
70.06600	0.5
74.51906	0.4
79.05482	0.6
81.03403	0.7
81.07038	0.7
85.02943	0.8
85.06542	0.7
93.07032	0.5
95.04978	0.5
95.08649	0.6
97.02888	0.9
98.97579	0.5
105.07035	0.9
119.08573	0.7
121.80473	0.5
135.11635	0.5
147.11723	0.6
189.13008	0.5
191.00754	0.6
203.10393	0.7
211.13185	0.6
212.13672	0.7
229.11954	2.4
245.06487	0.6
247.13087	10.3
275.12494	4.9
289.05493	0.6
331.14233	0.5
391.17157	3.1
409.18301	23.9
451.19363	58.1
452.19995	1.2
495.18356	100.0
496.18704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
52.66196	0.2
57.69221	0.2
65.91785	0.3
69.03380	0.2
71.59651	0.4
81.06977	0.2
84.05360	0.2
85.02850	0.3
85.94258	0.2
86.09702	0.3
95.08562	0.2
105.07011	0.4
107.01012	0.5
109.10152	0.3
136.11932	0.2
147.11591	0.2
178.29991	0.2
189.08826	0.3
189.12706	0.2
192.50038	0.3
203.03799	0.3
203.10419	0.5
211.16885	0.3
212.17273	0.4
216.23976	0.2
229.11937	1.0
245.06293	0.5
245.11528	0.3
247.13068	8.7
247.27986	0.2
265.12860	0.6
275.09482	0.3
275.12531	6.3
287.74124	0.3
289.05356	0.4
289.12823	0.8
301.12726	0.2
307.13925	0.7
331.13962	0.5
391.17331	2.8
409.18301	15.2
451.19376	52.3
452.19659	1.1
495.18350	100.0
496.18753	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1643
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
55.05501	1.5
56.96564	10.7
67.05496	2.7
69.03417	1.6
69.49774	0.8
71.18008	1.8
73.02885	0.7
77.40512	0.7
79.05482	1.6
81.03395	1.2
81.07063	2.0
83.04994	0.9
84.96059	1.0
85.02901	2.1
91.05479	2.2
93.07040	2.4
95.08609	1.8
97.02869	1.2
97.06512	1.8
97.10155	0.6
98.97581	6.9
105.07016	1.8
107.08598	0.9
109.10133	1.3
116.98619	7.0
117.07045	1.2
119.08575	1.4
123.11719	1.1
127.03948	0.8
128.98628	0.8
131.00140	0.8
133.01740	0.8
133.10085	0.9
134.99661	4.3
141.02248	0.8
143.00275	0.8
145.10146	1.5
146.99617	1.2
149.01254	0.9
153.01764	0.7
157.10182	0.8
158.99684	1.2
159.03290	2.5
161.01297	0.8
172.96599	0.6
173.01207	1.3
177.00714	3.4
189.39154	0.7
191.02222	0.9
191.14326	2.5
201.00742	0.8
205.05249	1.0
219.01819	1.5
223.06412	1.4
225.08049	1.2
237.02728	1.5
241.11018	0.9
247.10199	1.7
247.13135	1.5
249.07910	1.0
265.11118	9.5
277.11157	0.9
283.12137	5.8
288.12476	0.7
289.11090	7.8
293.10614	0.7
303.01337	0.7
303.09106	1.5
303.12479	0.8
305.02686	4.7
307.12241	6.2
321.10156	1.6
321.13605	0.9
325.13199	0.9
330.14023	1.1
331.12073	2.9
349.13168	4.1
373.97238	0.8
399.09943	1.7
409.15265	9.8
427.09412	2.5
427.16394	7.8
445.10535	1.2
450.85107	0.9
451.16989	15.9
468.82794	0.7
469.17340	2.1
495.09619	6.3
495.16235	100.0
496.16559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38389	0.6
55.05506	1.8
56.77927	0.7
56.96565	10.8
57.03412	0.9
59.44329	0.6
67.05490	1.3
69.03404	1.3
69.07064	1.6
71.30558	1.0
71.30910	1.0
76.13964	0.6
76.56366	0.6
77.29673	0.5
77.36966	0.6
79.05468	1.1
81.02674	0.7
81.03398	1.2
81.07079	3.2
81.71245	0.6
83.04960	0.8
83.08606	0.7
84.96028	2.1
85.02913	1.8
91.05490	2.3
93.07026	2.4
95.04958	1.7
95.08591	1.8
97.02872	1.2
97.06533	1.7
98.50109	0.6
98.97575	9.7
105.07023	1.3
107.04870	0.7
107.08599	1.1
109.02865	1.0
109.06505	1.0
109.10177	1.2
111.04470	0.6
116.98615	8.3
119.08566	1.4
121.10140	1.6
125.09695	0.7
127.03904	1.1
129.06996	0.7
131.00197	1.1
131.08566	1.6
133.01721	0.9
133.10143	0.9
134.19774	0.8
134.99663	6.0
135.00580	1.0
143.08560	0.9
145.10133	1.1
146.99579	0.9
147.08064	0.6
149.01227	1.9
149.09628	0.9
155.58952	0.6
158.99788	0.8
159.03261	2.9
159.11644	0.8
161.13206	0.8
162.99153	0.8
165.09140	0.8
173.01173	0.7
177.00728	3.8
191.02316	1.5
191.14313	2.5
197.95039	0.7
205.05421	1.4
207.06950	1.1
219.01794	1.4
223.06461	2.1
225.08003	1.9
233.15575	0.8
237.02713	0.8
241.11101	2.2
247.10088	1.4
256.48376	0.8
265.11075	11.3
283.12180	7.1
288.12720	0.8
289.11075	7.8
303.00998	1.1
303.12692	1.2
305.02695	6.6
307.12155	9.2
321.13678	1.1
325.13251	2.3
325.80280	0.7
331.12164	2.6
349.13269	3.4
363.14764	1.0
409.15247	8.9
427.16290	8.4
451.17090	16.8
469.17596	1.6
495.16257	100.0
496.16727	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	495.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
56.96564	35.9
57.58519	0.8
63.45785	0.7
67.05486	1.3
69.03398	1.3
70.72938	1.9
79.05463	1.0
80.31147	0.8
81.03405	1.4
81.07057	1.7
84.96033	5.9
85.02885	1.7
91.05471	1.0
93.07041	1.4
95.08594	1.4
97.06548	1.3
97.96819	0.8
98.97575	35.0
102.97066	1.1
109.02876	1.1
110.97582	0.7
112.99142	0.9
115.00690	7.9
116.98617	22.6
119.08583	1.1
127.03912	1.5
128.98599	2.7
131.00197	4.6
131.08572	0.9
132.04716	0.8
132.82494	1.0
133.01736	10.6
134.99646	12.0
140.00192	1.5
145.10095	1.8
146.99637	2.0
149.01204	3.0
151.02769	2.1
155.08501	0.9
158.99660	3.9
162.99161	1.2
168.57697	0.8
173.01239	2.6
177.00711	9.1
187.04349	1.5
189.05716	1.2
191.02289	3.6
195.01749	1.1
201.00760	1.1
201.04349	1.4
205.05380	5.3
207.06956	2.4
219.01756	2.4
221.08534	1.4
223.06445	3.4
225.07965	1.7
229.09103	1.1
231.06956	2.9
237.04739	4.0
239.09473	1.9
246.11270	3.3
247.09802	17.2
249.08005	4.1
265.11084	26.0
267.09070	6.4
273.07965	1.2
275.09647	1.9
283.12210	0.9
285.10034	9.6
289.11090	100.0
290.11435	2.7
293.10611	1.5
301.11157	1.2
303.12701	7.8
307.12125	26.4
308.12354	1.0
315.27380	0.8
321.13910	1.7
325.13287	1.6
330.13879	2.0
331.12125	26.2
349.13217	10.9
361.13214	6.9
391.14249	1.9
409.15387	8.0
435.18527	1.3
438.36252	0.9
451.16974	9.8
480.59903	0.8
495.16238	62.0
496.16602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01856	4.7
55.05507	12.4
56.96564	45.3
57.03435	5.7
61.02893	1.2
65.03944	2.2
67.05502	24.5
69.03426	5.4
69.07066	7.0
71.04993	3.4
71.60029	1.4
71.60408	2.6
71.95268	1.4
79.05492	22.7
81.03417	46.8
81.07058	27.6
83.04980	9.4
83.08615	17.1
84.96050	6.5
85.02905	27.1
85.06526	1.8
88.45029	1.4
91.05482	31.2
91.05994	1.3
93.07048	17.5
95.04970	21.8
95.08609	9.3
97.02891	5.3
97.06536	5.0
97.10168	4.2
98.97581	33.2
98.98198	2.4
99.04469	1.2
102.97081	2.1
105.07032	19.9
107.04963	5.3
107.08589	5.2
109.06538	4.6
109.10181	4.0
111.04430	2.4
111.08072	8.9
112.99123	1.7
113.06035	2.0
115.00697	7.5
116.98620	28.3
117.07030	3.9
119.08559	16.3
119.09357	1.7
121.06509	2.0
121.10134	8.2
123.08067	3.3
125.09620	1.4
128.37822	1.3
128.98599	1.7
129.06996	8.0
131.00185	5.1
131.08574	9.7
133.01740	14.3
133.10121	8.3
134.99661	22.9
135.08070	1.7
135.11638	2.2
140.00269	1.8
142.07776	2.1
145.10188	2.5
146.99654	1.9
147.08051	3.8
147.11688	13.4
149.01222	7.3
149.09644	4.9
151.02802	3.1
153.00743	2.2
155.08629	1.5
157.10117	11.4
158.01367	2.0
158.99678	4.8
162.99083	2.7
165.12717	3.4
173.01231	4.0
174.79076	1.5
175.11200	13.4
177.00685	13.4
184.93712	1.6
191.02263	7.5
193.12257	46.7
195.01759	1.7
201.00722	2.2
201.16324	1.6
205.05385	7.8
207.06937	3.4
211.13295	56.4
219.01703	2.4
223.06403	4.2
231.06862	4.1
237.04358	4.2
239.09669	2.3
247.10100	19.5
249.08040	6.7
265.11121	32.6
267.15915	3.3
270.11630	2.4
275.09512	3.1
285.16959	1.9
288.12845	1.8
289.11090	100.0
293.10745	2.5
301.11139	2.7
303.12610	12.1
307.12152	27.6
321.13754	1.9
330.13800	5.0
331.12131	35.5
349.13187	15.2
361.13321	7.5
391.14313	2.2
409.15149	7.4
435.18896	1.9
451.17114	6.8
459.27359	2.7
462.57599	1.6
495.16473	40.6
495.29941	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	495.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01393	1.1
56.96559	9.9
59.36580	1.0
59.76403	1.2
68.79151	1.0
71.59095	1.7
73.02944	1.1
84.96059	1.8
85.02891	2.6
86.06064	3.7
86.09697	1.9
91.38083	1.0
97.96718	1.2
98.97578	21.7
110.97544	6.5
112.99138	11.5
116.98620	21.7
120.08092	1.3
121.07535	1.0
124.99118	2.2
125.63174	1.1
128.98604	13.8
131.00169	32.7
134.99667	11.8
143.00174	11.7
145.01677	3.0
146.99655	19.0
149.01216	34.1
151.64520	1.2
153.00713	1.1
158.99680	3.4
161.01227	20.3
163.02896	1.3
165.00735	3.6
167.02306	4.9
170.99675	4.1
173.01283	7.0
174.09311	1.1
177.00650	6.3
179.02322	3.6
185.01204	26.8
187.02802	9.0
189.00700	9.1
191.02255	10.5
198.58403	1.1
201.00711	3.6
203.02269	70.8
205.03880	3.8
207.01778	1.4
219.01791	1.6
221.03310	20.8
226.03886	2.5
227.02310	6.5
235.47049	1.4
241.03864	1.6
245.03299	23.6
246.15407	1.4
263.04382	13.6
281.05658	1.3
305.05426	100.0
306.05917	1.3
323.06473	26.3
333.18738	1.2
345.74234	1.2
346.08206	4.0
365.07501	17.1
375.09775	3.1
425.09528	4.1
462.58026	1.1
495.14703	77.1
496.15231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32922	1.0
56.96564	40.0
60.04528	1.1
63.16923	0.7
67.05517	1.1
69.03432	1.5
71.60198	1.0
79.05504	1.1
81.03431	1.4
81.07060	1.9
84.96031	6.6
85.02901	1.1
91.05499	1.6
93.07043	1.5
95.04952	1.1
97.02914	1.1
97.33410	0.7
98.97581	35.1
105.07045	1.5
107.05072	0.9
107.08602	1.4
109.02875	1.0
109.06529	0.8
109.10168	0.8
110.97568	1.4
115.00687	10.1
116.98625	27.6
117.07047	0.9
119.08569	1.5
127.03964	1.3
128.98627	2.2
131.00201	4.7
131.08595	2.5
133.01723	14.0
133.02644	1.5
133.10149	1.2
134.99655	15.2
140.00224	1.1
140.98781	0.8
143.08543	2.1
145.10132	3.3
146.99660	2.2
149.01192	5.4
151.02809	3.0
153.00737	1.9
158.99594	5.1
173.01254	3.6
173.13307	2.2
177.00717	11.9
184.84113	1.1
187.04306	0.8
191.02316	4.0
195.01750	1.1
196.25294	0.8
205.05417	5.9
207.06931	2.6
219.01808	2.7
219.13676	1.1
223.06369	2.9
225.08049	1.2
229.08972	0.9
231.06955	3.9
237.02556	1.4
237.04570	2.7
239.09570	2.4
246.11256	2.7
247.09912	19.1
249.07961	4.2
255.05482	0.8
265.11093	28.5
267.09091	2.1
270.11578	1.1
273.08167	1.4
275.09509	2.7
280.82483	0.9
283.12201	1.8
285.10114	2.6
289.11099	100.0
290.11450	2.2
293.10641	1.9
301.11096	2.2
303.12695	8.5
307.12146	29.0
308.12509	1.3
317.10657	1.4
321.13840	2.1
325.13364	1.2
330.13623	2.7
331.12140	32.2
343.96378	1.0
349.13290	14.1
361.13235	6.9
363.14673	0.9
372.14883	0.8
391.14359	2.1
409.15271	9.8
427.16812	1.6
435.18594	1.2
451.16891	12.4
495.16278	61.8
496.16476	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20028	0.5
71.58452	1.0
98.62125	0.6
116.98641	0.6
203.02264	0.7
213.00098	0.7
232.29764	0.7
247.81592	0.6
255.74393	0.5
296.13168	0.6
304.06213	0.6
305.05371	0.9
495.14862	100.0
496.15021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1287
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
56.23880	0.2
62.60885	0.2
65.03879	0.2
66.92717	0.3
67.01849	0.5
67.05495	0.5
69.48998	2.2
74.66330	0.3
78.04719	0.3
79.05461	0.8
81.03394	0.5
81.07025	0.7
91.05480	1.5
93.07016	0.8
95.04942	0.8
95.08638	0.2
98.21409	0.5
101.31210	0.2
102.04661	0.7
103.05472	2.9
104.06232	0.4
105.03388	0.4
105.07009	1.0
106.04138	0.3
107.04942	0.9
109.06508	0.3
111.04363	0.3
111.08089	0.3
115.05483	0.3
115.41971	0.2
117.03379	0.3
117.06998	0.5
118.04182	1.5
119.04893	0.9
119.08555	0.5
120.05703	0.3
121.06493	1.4
123.04412	0.7
124.65845	0.2
127.03869	0.4
130.04135	1.4
130.28133	0.3
131.04922	4.1
132.05711	2.0
133.02850	0.5
133.06516	0.6
135.04402	1.0
137.02338	0.3
137.05931	0.4
140.04672	2.2
145.06511	0.5
146.03632	2.6
147.04410	1.4
148.05151	1.1
149.06009	0.9
151.03922	0.6
153.01831	5.8
153.05440	1.0
154.06252	0.4
159.04434	0.7
160.05217	1.3
161.02325	0.3
161.05966	1.1
162.03143	0.9
163.03896	1.0
163.07565	0.4
165.05507	0.5
166.06247	1.1
167.07001	1.4
171.02864	0.5
173.05911	0.7
176.04689	1.9
177.05449	2.7
178.06247	3.6
180.07761	0.3
191.07028	4.0
192.07817	1.7
193.05046	0.4
202.55370	0.3
203.03392	4.7
213.05493	0.9
216.04199	0.6
229.04948	6.4
241.04964	1.5
242.05740	10.4
253.04909	2.3
255.06584	0.3
256.07306	0.3
257.04453	51.9
258.05225	16.4
259.05875	0.5
269.04489	2.1
270.05228	2.0
271.05972	2.2
272.06659	0.3
283.05933	0.9
285.03922	7.8
286.04718	26.8
287.05493	20.6
295.06042	0.4
297.03973	3.9
299.05554	2.1
300.06244	1.4
301.07153	0.4
315.04962	1.1
323.05453	0.3
327.04980	3.0
331.01917	0.3
333.20425	0.4
341.06519	2.1
345.07608	0.3
371.08875	0.4
373.07004	0.6
387.08774	0.3
388.09409	0.4
389.06430	0.3
391.08304	0.4
403.08163	0.6
416.09067	0.5
419.07666	1.0
421.09271	0.5
433.09012	0.6
445.08908	0.6
447.07043	1.7
454.40106	0.3
461.08667	0.4
462.09357	0.6
465.11853	3.7
477.11826	14.5
478.12390	0.5
495.12869	100.0
495.25281	2.7
496.13171	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1265
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.74810	2.7
54.50745	2.8
69.68336	21.1
78.26682	3.2
85.02914	2.7
94.93006	6.2
112.89624	28.3
114.89351	28.8
136.94009	22.2
138.93855	6.5
142.22835	3.0
148.94044	4.3
150.93871	3.8
161.67110	3.0
166.95107	10.9
168.94969	3.8
173.65613	2.7
196.96167	4.1
227.67429	3.5
245.05055	4.9
248.89725	9.3
322.97046	6.9
335.70819	3.2
419.03494	15.7
421.03253	5.4
495.12534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1267
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.59547	2.4
56.05023	6.0
56.96564	15.0
58.06593	2.5
67.33266	2.4
69.03439	2.3
70.53828	4.1
70.54170	7.0
74.06064	6.1
84.04490	5.2
84.08142	2.7
84.96031	3.7
86.09669	4.2
87.79007	2.5
98.97586	16.5
98.98159	3.4
116.98626	12.6
117.08984	2.7
120.08041	4.1
123.10764	2.6
128.98560	6.1
134.99622	11.7
143.00136	4.8
146.99612	6.9
158.99596	2.6
161.01190	7.9
165.07111	2.2
171.08040	6.0
177.00719	8.1
189.00603	3.9
237.02693	7.9
240.25481	2.2
261.04190	5.5
263.06372	5.3
265.03796	2.5
269.05096	4.4
279.05569	3.3
287.05954	14.1
289.07352	4.8
305.06940	15.9
307.08420	2.9
315.05322	6.5
323.08044	3.4
329.06958	20.6
333.06174	5.0
347.07822	6.7
349.85284	2.4
351.07547	5.6
357.06491	3.6
375.07388	4.8
393.08524	3.6
449.11136	5.1
495.12601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05025	0.6
57.07054	0.6
58.06608	0.4
60.03531	0.3
60.08163	6.2
67.05494	0.6
69.07052	0.9
69.87701	1.6
70.06610	0.3
71.07385	3.1
81.07032	0.5
83.08617	0.6
86.09704	30.8
93.07025	0.4
95.08589	0.4
97.10181	0.4
98.17448	0.3
98.21482	0.4
98.98466	3.4
104.01539	0.4
104.10744	5.3
109.46585	0.3
125.00001	19.3
149.02336	0.6
149.05408	0.3
184.07338	100.0
185.07669	0.5
189.00420	0.3
193.04961	0.4
237.07593	0.6
287.87024	0.4
302.00259	0.4
476.31158	1.7
494.32745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.45125	0.3
55.05507	2.0
56.05024	0.9
57.07071	0.9
58.06593	1.2
58.28668	0.3
58.36660	0.4
60.08162	16.7
61.81367	0.4
63.36492	0.3
69.07079	3.0
70.10728	1.2
70.11135	0.9
71.07369	7.8
72.68518	0.4
75.22659	0.4
81.07046	0.9
83.08607	2.0
86.09705	53.6
92.82887	0.4
93.36227	0.4
96.72318	0.4
97.06510	0.4
97.10168	0.9
98.98462	4.8
104.10743	100.0
105.11074	0.7
106.06266	0.4
125.00005	29.3
163.01477	0.4
165.59531	0.4
178.88165	0.3
180.64291	0.4
184.07339	97.7
185.07700	0.8
258.11087	0.8
300.51346	0.4
304.11203	0.4
311.25842	1.6
320.95447	0.3
417.23813	0.8
440.51053	0.5
476.31396	10.4
494.32428	25.4
503.29007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
52.30506	0.6
53.67000	0.6
55.05500	2.6
56.05024	1.5
58.06590	1.1
59.07375	0.7
60.07874	0.9
60.08163	16.4
67.05483	1.1
69.07062	2.6
70.06586	0.8
70.12037	2.4
71.07371	6.0
75.30670	0.6
81.07032	1.4
83.08610	1.2
86.09705	51.9
95.08573	0.9
97.10175	0.7
98.98460	3.6
104.10741	100.0
125.00003	29.5
135.11522	0.7
149.02274	1.2
151.82596	0.6
163.01628	0.8
168.94511	0.6
184.07339	99.5
193.05020	0.7
258.10941	1.5
311.25763	1.3
476.31378	8.0
494.32407	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	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05030	0.5
57.03419	0.3
57.07074	0.4
58.06604	0.4
60.08160	6.2
61.02932	0.4
67.05497	0.6
69.03425	0.3
69.07079	0.6
70.16972	0.4
70.17371	0.7
71.07369	3.1
73.02916	0.3
79.05500	0.6
81.07047	0.7
83.08611	0.3
85.02895	0.3
85.06585	0.2
86.09699	31.4
86.97997	0.2
91.05479	0.4
93.07040	0.5
95.04951	0.2
95.08592	0.5
97.02912	0.2
98.98457	3.1
104.10736	3.2
119.08569	0.3
121.10153	0.3
124.99998	21.1
143.01048	0.3
149.02316	0.9
179.19028	0.2
184.07327	100.0
185.07750	0.3
193.04927	0.8
283.77063	0.2
311.25787	0.3
328.31750	0.2
476.31241	1.1
494.32614	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
56.05036	1.3
57.03431	0.5
57.07071	0.8
58.06576	1.4
60.08162	18.2
65.03952	0.3
66.65443	0.2
67.05496	1.3
69.07072	2.8
69.78835	0.6
69.79263	0.7
70.06595	0.3
71.06972	0.3
71.07372	6.8
71.08633	0.3
79.05496	0.4
81.07066	1.5
83.08624	1.6
86.09702	54.2
87.10029	0.3
88.07616	0.2
88.89481	0.2
93.07032	0.5
93.74642	0.2
95.08595	1.6
97.10169	0.9
98.98462	4.3
104.10741	97.1
105.11077	0.6
107.08598	0.3
109.10140	0.5
116.99570	0.2
121.10143	0.3
123.11689	0.2
125.00001	31.1
135.11711	0.3
143.01048	0.7
149.02376	0.5
149.03493	0.2
149.13351	0.3
163.01543	0.8
166.02547	0.2
181.02490	0.3
184.07333	100.0
185.07741	0.7
193.05016	0.6
237.07536	0.4
258.11014	1.2
284.29517	0.4
311.25775	1.3
361.54083	0.2
417.23740	0.4
476.31372	7.6
477.30923	0.3
494.32419	24.3
495.32748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54518	0.8
53.03939	2.0
53.37552	0.8
55.01862	2.1
55.05505	3.4
56.96558	2.8
57.03448	2.1
58.23564	0.8
60.04523	2.2
61.02917	1.1
61.28810	0.8
61.38686	0.7
63.49717	0.8
67.05515	4.3
69.03432	7.7
69.07070	6.4
70.57887	2.1
71.04987	2.5
73.02915	1.8
73.48853	0.9
79.05499	3.4
81.03417	5.5
81.07066	6.9
83.04979	1.4
83.08629	3.8
85.02905	11.7
85.06525	1.6
86.09706	1.0
86.95950	1.0
87.00832	4.3
91.05497	3.1
93.07036	6.0
95.04977	2.0
95.08621	10.0
97.02901	6.1
97.06516	6.1
98.20788	0.8
98.97603	3.6
99.04458	3.9
105.01865	3.6
105.07016	5.5
107.05020	1.2
107.08590	7.6
108.08075	0.9
109.02868	5.4
109.06522	2.4
109.10163	11.3
111.04491	1.0
111.08085	1.7
115.07568	3.0
116.98621	2.1
119.08568	7.5
121.10121	4.3
123.08108	1.2
123.11717	4.6
124.51102	0.8
125.09610	1.3
127.03915	6.1
127.11219	2.0
131.08556	1.5
133.10138	10.7
134.99649	1.0
135.11702	9.1
137.05971	1.1
137.09608	4.2
139.64958	0.8
145.04958	2.2
145.10205	1.1
147.11676	2.7
149.13249	2.7
151.11162	0.9
153.12712	0.9
157.10097	1.2
159.02869	1.4
165.12770	2.4
169.12245	1.4
172.11232	0.8
175.11232	1.1
175.14815	15.6
177.16386	10.4
185.08081	1.0
185.09775	0.9
189.07843	1.2
193.12286	1.3
193.15865	20.8
200.10808	1.6
211.13374	7.1
211.16927	25.7
218.08092	1.8
218.11862	0.9
227.11810	1.0
229.14362	7.4
231.05060	1.3
231.08983	1.4
246.11264	100.0
247.11740	4.6
265.11319	1.2
289.11029	6.4
307.12268	2.3
331.12067	1.2
332.28000	2.0
349.13388	1.0
468.73120	1.0
494.33228	1.3
495.16196	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
56.96553	6.7
57.20744	3.0
64.23328	3.2
64.54697	3.6
67.05485	5.6
69.03413	7.2
69.07052	11.7
69.27958	27.4
69.28366	9.0
70.06570	4.1
70.18066	3.7
71.04974	12.8
79.05481	6.8
81.03397	3.8
81.07074	15.7
83.08611	6.8
85.02895	11.9
86.09691	7.8
87.00821	4.4
89.77549	3.0
91.05467	8.5
93.07037	11.0
95.08622	22.6
97.02886	6.7
97.06526	11.1
98.97554	10.0
99.04446	32.5
105.07001	7.3
107.08593	13.8
109.02891	6.3
109.06491	5.4
109.10130	13.8
115.07545	6.7
116.98609	11.7
119.08580	16.8
121.10147	8.3
123.11689	12.0
127.03926	8.1
133.10120	53.5
134.99657	6.8
135.11678	36.0
137.09546	9.1
147.11699	5.1
175.14819	64.1
177.00719	5.3
178.07704	3.3
193.15865	53.6
196.66957	4.0
211.16925	100.0
258.56607	3.4
260.95291	3.0
307.12088	4.5
409.15277	24.7
451.16602	14.8
495.16452	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16064	0.7
53.03933	1.3
55.01852	1.7
55.05510	1.3
61.02916	1.0
67.05491	2.1
67.06036	0.7
69.03420	4.6
69.07067	3.7
69.37861	7.8
71.04639	1.1
71.04990	12.5
73.02919	1.1
79.05482	1.6
81.03413	4.8
81.07037	3.0
82.03747	1.1
85.02901	6.7
85.06540	1.6
86.03215	0.6
87.00822	3.9
91.05457	1.6
93.07030	2.3
95.04960	0.8
95.08604	4.7
97.02872	2.6
97.06542	2.2
98.97623	0.9
99.04453	37.4
105.01241	0.8
105.01860	2.5
105.07021	3.2
106.07290	0.8
107.08598	3.9
109.02866	3.4
109.10149	3.3
113.09649	5.4
115.07550	2.5
119.08582	3.3
121.10115	1.4
123.08059	0.8
123.11710	2.5
125.09661	1.7
127.03927	5.8
129.07010	1.7
130.07317	1.6
131.08702	0.8
133.10126	2.6
135.11679	14.7
139.11127	1.5
141.07005	0.9
141.12714	1.9
142.73781	0.8
143.08572	1.7
144.08928	1.8
145.04964	0.9
145.10100	1.5
146.10434	0.8
147.11707	1.1
149.13211	1.6
151.14827	2.2
153.12759	1.5
155.08409	1.2
156.09045	1.1
165.08980	0.8
167.08490	1.1
168.08934	1.3
169.10146	2.7
170.10406	2.2
171.08119	0.8
171.11664	3.8
172.12000	2.9
175.14778	5.2
181.10149	1.6
182.10454	2.0
193.15872	6.3
197.09570	1.0
198.09879	1.9
199.11115	2.2
200.11528	1.8
211.16922	100.0
212.17226	1.4
217.12238	1.0
218.12585	1.4
224.81676	0.8
228.10966	0.9
244.10452	1.7
246.11893	1.1
259.77362	0.8
259.88385	0.8
301.18781	0.7
308.13632	1.2
409.15317	1.4
448.16949	1.1
476.16336	2.4
494.17407	3.3
495.16299	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18538	1.2
53.03944	5.2
55.01867	9.0
55.05508	4.1
56.96559	4.4
57.03429	5.6
61.02923	6.1
61.75187	1.3
67.05494	7.1
68.99773	2.8
69.03433	19.3
69.07066	5.6
71.04985	5.2
71.42345	2.1
73.02913	6.6
79.05488	6.8
81.03416	22.2
81.07059	26.3
83.04960	2.3
83.08625	3.5
85.02902	59.5
85.06540	1.8
85.48237	1.2
87.00826	28.3
87.04486	1.9
91.05486	7.7
93.07047	5.8
95.04975	2.4
95.08617	5.7
96.08894	1.4
97.02890	30.6
97.06526	5.3
98.97572	4.9
98.98215	1.3
99.04469	13.8
105.01861	21.0
105.07014	12.9
107.08627	6.8
108.04492	5.8
109.02882	28.3
109.06506	3.1
109.10161	2.0
116.98621	3.2
117.01865	3.7
119.08585	10.4
121.10124	9.9
123.08088	1.3
123.11701	12.8
126.05524	2.0
127.03917	46.9
127.07529	2.1
129.01886	2.9
131.08582	1.9
133.10098	1.8
137.69101	1.2
145.04971	21.4
147.02873	3.9
147.11694	42.6
158.99632	2.8
159.02861	14.2
165.09065	2.1
165.12743	32.5
173.01323	1.6
173.13445	2.0
176.11615	1.4
177.00729	2.7
183.13783	11.8
193.12297	5.5
203.26125	1.2
211.13292	8.7
213.03928	4.8
219.01758	1.5
229.14343	100.0
230.06577	1.6
230.14635	2.6
231.05017	8.7
248.07687	3.7
248.47781	1.6
273.96353	1.3
275.49448	1.4
285.46835	1.4
289.11029	2.7
321.22250	1.5
409.15375	2.0
423.16086	1.6
431.43469	1.3
451.16525	2.3
494.28305	3.0
495.16125	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	493.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09795	1.5
55.01857	3.2
55.05513	9.7
57.03437	1.9
61.37999	1.5
65.03924	1.5
65.92844	1.8
66.98540	1.6
67.05495	14.1
69.03426	2.0
69.07069	20.7
69.76812	5.5
69.77225	4.7
71.04986	2.6
72.37282	1.5
74.84652	1.3
79.05486	13.6
81.03412	3.2
81.07058	8.7
83.04986	11.7
83.08606	3.6
89.03918	4.0
91.05512	3.8
92.02145	1.9
93.07056	13.3
93.42403	1.6
95.04958	5.4
95.08616	12.4
97.06496	4.0
105.07011	3.7
107.04948	3.0
107.08588	2.7
109.10133	2.1
111.04468	2.2
117.03385	4.6
119.08517	2.0
121.10146	5.9
133.10110	2.5
134.03644	3.5
135.04422	13.3
135.11644	1.6
139.11174	28.8
145.02847	10.7
163.03897	80.5
173.02341	2.5
187.03874	2.2
231.06628	1.8
245.06352	2.3
257.11673	6.5
289.05286	62.3
301.14337	100.0
302.14484	1.8
352.25586	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	5.6
55.05513	99.0
61.98159	4.3
67.05508	30.2
69.07049	16.2
69.31721	4.2
69.32068	50.3
79.05504	25.5
81.07059	78.5
83.04956	4.4
83.08625	100.0
85.06516	7.3
89.95708	4.3
91.05484	25.2
93.07066	22.0
95.08610	86.5
97.06506	12.7
99.08041	4.4
105.07038	32.4
107.08559	13.0
109.10143	12.3
114.69113	4.9
119.08595	37.3
121.10149	14.1
123.08089	5.9
131.08662	4.0
133.10114	26.3
135.11665	17.4
137.09598	6.3
137.13249	13.7
145.10130	5.3
161.13261	77.3
179.14301	75.0
182.10097	4.6
197.15352	18.2
209.15147	4.9
241.50908	4.2
330.32010	4.4
336.44937	4.7
373.43372	5.7
493.30746	6.9
510.15869	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	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70829	1.4
56.63168	1.7
56.72541	1.5
56.96584	2.0
69.03436	11.5
69.41213	14.3
71.04989	2.0
73.02897	1.4
81.03418	4.3
85.02901	12.8
90.88248	1.4
94.38873	1.4
97.02888	14.8
98.97571	1.5
99.04443	2.7
107.04956	100.0
107.08558	1.5
109.02832	2.2
122.48560	1.4
127.03923	16.5
145.04990	11.2
153.05441	3.9
233.08151	2.7
240.09845	1.5
269.04507	2.0
279.08591	5.6
297.09720	24.3
346.32458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05503	4.0
56.96290	2.8
56.96566	47.2
67.05486	6.7
69.07065	3.3
70.06413	9.4
71.04980	3.3
74.97643	2.5
79.05486	5.8
81.03400	6.9
81.07055	9.3
81.32932	1.6
83.04983	3.0
83.08637	3.6
84.96029	3.6
85.02905	5.9
91.05476	9.4
93.07037	6.4
95.04959	6.5
95.08591	5.0
97.06497	1.8
98.21429	2.1
100.93726	3.5
103.05516	2.3
105.07040	6.7
107.04951	4.8
107.08570	5.8
109.06510	1.8
109.10157	3.0
111.04420	3.4
114.95297	4.0
117.07034	3.0
119.08587	8.4
121.01707	2.1
121.02894	1.9
121.06528	2.1
121.10100	2.4
122.03648	2.8
128.98598	4.7
131.04919	3.4
131.08566	4.5
132.96332	12.5
133.06516	3.4
133.10080	2.6
135.11699	2.8
137.02353	2.4
137.04996	3.0
137.05978	36.4
143.08522	2.3
145.06488	2.5
145.10097	2.3
146.99582	8.5
147.04347	2.7
147.11691	4.0
150.97333	12.9
151.07516	9.6
157.10135	2.4
163.07590	6.3
163.11156	2.0
165.00708	2.1
165.09268	2.0
167.08722	2.0
168.98497	3.2
173.01189	2.6
175.07538	2.3
175.11203	2.5
181.10312	1.8
191.02327	2.3
191.10577	1.9
193.12210	2.1
195.08052	3.2
202.96991	1.8
227.10678	2.0
227.12788	2.9
231.07135	2.1
239.05965	3.9
241.08885	2.0
255.06931	3.8
257.08551	6.0
259.07141	2.6
259.10025	16.6
273.08041	4.4
275.06454	1.8
275.09564	6.4
277.11133	22.0
285.07925	7.5
285.10886	2.4
287.05652	2.1
287.12787	4.1
291.09088	8.1
300.12747	2.1
303.09036	38.0
309.10095	2.0
317.08847	2.8
321.10092	57.4
321.13882	2.9
326.10675	3.4
335.09772	2.1
339.11111	3.3
347.09555	1.7
355.09125	2.3
356.77429	2.1
361.07846	11.6
363.09283	3.2
379.08798	22.3
381.10446	17.8
389.08051	3.4
395.08386	6.4
397.09921	36.3
399.11414	5.1
402.10547	2.7
404.12057	2.4
407.08408	13.2
413.09393	5.2
418.09976	2.2
425.09412	69.6
443.10489	49.8
445.46329	2.1
448.11084	8.3
449.10202	3.9
465.33905	2.1
466.12030	4.9
493.09280	100.0
493.20581	3.8
493.28284	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01862	9.8
55.05503	9.4
57.03427	12.2
61.02922	6.4
67.01839	2.7
67.05499	8.2
68.99805	3.5
69.03429	31.3
69.07066	17.1
69.38731	26.5
70.06582	5.8
71.04984	12.7
73.02904	10.2
75.97410	2.6
76.44976	2.5
79.05484	16.6
81.03419	37.1
81.07049	56.7
83.04964	12.1
83.08630	4.8
85.02905	87.2
85.06530	3.7
86.09721	6.6
87.00823	31.4
88.68066	3.2
91.05476	13.2
93.07042	32.6
95.04961	11.7
95.08594	18.5
97.02899	27.7
97.06516	11.4
99.04444	19.2
99.08095	14.5
100.87668	2.6
105.01864	23.5
105.07027	20.1
107.04965	3.1
107.08600	58.7
108.04505	3.0
109.02863	34.1
109.06525	12.6
109.10152	23.4
111.08064	11.0
117.01828	5.4
119.08575	16.3
121.06526	3.0
121.10139	52.7
123.08086	12.9
123.11672	8.7
125.09555	4.7
127.03921	64.9
127.07537	8.8
129.01849	5.3
131.08545	12.4
133.10130	28.1
135.02597	3.3
135.08047	18.0
135.11665	20.1
137.05998	7.4
137.09631	6.3
137.13332	3.4
143.08534	5.0
145.04980	23.4
145.10118	7.5
147.02888	6.3
147.11691	18.3
149.09621	5.9
149.13260	40.7
151.11224	6.6
151.60927	2.5
153.09052	3.7
159.02872	22.0
161.13350	3.7
163.11237	4.0
163.14796	29.1
165.11383	4.3
165.12750	55.5
173.13251	24.5
179.14302	8.6
181.15942	6.0
189.12791	3.4
191.14301	69.7
207.13789	4.7
209.15363	88.2
210.15697	4.5
227.16422	100.0
231.04922	13.4
275.59094	3.1
311.12482	3.5
311.83121	2.8
320.08899	2.9
492.18063	2.9
492.25516	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23231	2.5
53.03946	5.5
55.01864	3.9
55.05512	4.8
56.96560	5.9
57.03427	3.9
60.04504	3.0
61.02925	3.9
64.34277	2.2
67.05501	3.4
68.99811	3.6
69.03420	23.8
69.07056	5.2
70.06597	17.4
70.89248	7.0
71.04991	4.7
72.08146	19.1
72.08462	2.0
73.02930	4.2
79.05499	6.2
81.03411	14.2
81.07059	9.9
84.04492	5.2
84.08141	8.8
85.02904	55.1
86.09696	23.2
87.00822	26.2
91.05479	10.5
93.07046	17.3
95.04970	2.8
95.08601	13.7
96.08118	2.8
97.02888	27.1
97.05907	4.8
97.06532	100.0
99.04453	10.2
105.01876	32.8
105.07047	10.7
107.08591	19.9
109.02881	33.4
109.06525	8.9
109.10165	8.1
110.09696	4.3
111.04434	3.0
111.08113	3.2
115.08606	2.8
116.98653	3.2
119.08607	7.9
120.08107	17.8
121.06519	3.7
121.10154	11.8
123.08076	4.7
123.11687	2.7
127.03919	43.7
130.39877	2.7
131.04964	3.3
131.08601	4.6
133.10168	12.1
135.08032	4.2
136.07582	4.8
137.05994	15.9
138.09215	3.5
145.04959	12.3
145.10110	3.8
147.11687	5.4
149.13202	20.4
151.07555	6.4
151.11176	9.9
153.01830	8.0
153.09109	3.5
159.02879	6.1
161.05994	4.0
163.14891	5.0
166.08669	13.8
169.12198	15.1
173.13228	10.6
178.08644	4.4
191.14279	17.4
204.06566	3.3
205.09747	2.8
209.15359	22.8
213.04005	9.2
227.16428	53.4
231.05003	10.0
265.09717	6.1
285.03955	6.4
287.05554	27.6
287.12656	3.3
288.05936	3.5
295.75354	2.9
302.06476	2.9
313.03430	17.3
313.06824	4.3
327.09763	3.5
330.06046	15.4
330.09445	5.2
331.04263	4.4
339.09958	8.6
348.34854	2.6
439.19510	7.8
457.20764	10.1
492.32379	14.6
508.53790	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
55.18990	0.5
56.96569	0.6
64.94551	0.5
65.03921	1.0
67.05503	2.0
69.03421	2.8
69.07062	0.8
70.06570	0.5
71.04989	4.4
71.59566	0.5
71.59930	0.7
79.05462	0.7
81.03412	3.2
81.07059	2.3
83.04985	2.6
83.08635	3.5
84.14267	0.6
85.02906	5.3
85.06520	1.9
87.00828	1.8
91.05492	1.6
93.07024	2.8
95.04966	100.0
95.08595	1.8
96.05292	0.9
97.02901	1.7
97.06534	1.3
99.04452	20.6
103.03884	0.6
105.01861	1.7
105.07032	2.5
107.08601	3.8
108.09499	0.6
108.92862	0.6
109.02869	2.0
109.06519	2.2
109.10147	1.7
111.08085	2.3
117.01903	0.7
119.08537	0.7
121.10137	1.9
123.11703	1.0
125.05972	1.0
125.09634	2.2
127.03928	3.5
131.08582	1.5
133.10129	7.3
135.08067	1.8
137.09605	0.7
139.11163	1.6
145.04984	1.0
145.10133	1.0
147.11737	0.8
149.09648	1.1
149.13231	1.3
151.11201	6.2
153.09105	29.6
159.02919	1.1
163.11327	0.6
167.07050	0.9
167.14322	3.6
173.13286	4.6
179.14371	1.5
181.12189	2.9
189.03960	2.5
191.14331	4.4
195.10210	0.6
209.15361	46.6
212.32436	0.7
227.16528	0.6
233.15463	1.7
234.27621	0.6
251.16467	1.1
289.05124	0.8
317.17551	1.0
417.39645	0.6
457.20648	4.3
473.07199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01875	6.2
55.05512	5.6
57.03429	3.4
67.05511	3.5
69.03420	18.6
69.07057	5.8
70.84393	3.2
70.84729	7.0
71.04984	6.2
73.02918	4.7
78.78591	2.6
79.05482	9.0
81.03412	10.6
81.07063	25.4
82.45026	2.7
83.04995	16.9
83.08636	4.1
85.02899	42.5
87.00823	19.0
91.05460	11.6
93.07037	12.9
93.57645	2.9
93.89864	2.9
95.04963	20.4
95.08607	10.2
97.02885	16.5
97.03518	4.2
97.06526	8.8
99.04459	9.8
105.01895	17.3
105.07012	20.5
107.08604	52.6
108.35683	2.6
109.02898	19.2
109.06516	44.7
109.10144	11.5
119.08575	14.0
121.10184	20.9
123.08048	7.0
123.11729	5.5
125.09531	3.0
127.03922	32.4
131.08557	10.8
133.10133	100.0
134.25916	3.2
135.08055	7.5
135.11708	7.8
139.11201	6.5
143.08592	4.5
145.04965	15.1
145.10098	6.1
147.11723	16.1
149.09749	3.3
149.13263	13.3
151.11201	3.7
153.09119	17.1
158.10889	7.4
159.02893	8.0
163.11201	3.1
163.14726	4.4
173.13266	46.5
183.41151	3.0
184.49617	2.8
188.01907	3.5
191.14299	99.6
192.43036	2.9
194.88972	2.8
199.81244	2.9
209.15370	40.4
227.16464	8.2
231.04796	3.5
303.74506	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87660	1.7
53.03940	4.1
55.01869	3.5
55.05504	8.8
59.05001	2.9
60.04499	2.4
66.47469	2.1
67.05494	5.2
68.99779	2.1
69.03426	19.4
69.07065	8.0
69.45665	15.5
69.46074	2.6
70.06584	4.1
71.04990	5.4
73.02930	4.4
75.51846	1.9
79.05486	4.9
81.03017	2.0
81.03416	9.6
81.07052	18.0
83.04959	4.8
83.08607	3.9
85.02904	38.4
85.06538	4.0
86.09711	5.9
87.00828	16.3
91.05486	8.5
93.07035	14.3
95.04976	19.3
95.08606	10.9
97.02901	14.1
97.06544	13.7
97.10202	2.3
99.03916	2.1
99.04430	10.9
99.08091	6.9
105.01861	16.7
105.07036	22.4
107.08593	22.3
109.02879	8.9
109.06509	40.8
109.07251	2.7
109.10142	17.2
111.08086	3.5
115.07581	6.6
116.98632	1.8
117.06992	2.6
119.08567	14.6
121.10135	26.7
123.08051	13.9
123.11674	5.1
124.07598	1.8
125.06018	3.0
125.09637	3.2
127.03895	18.0
127.07589	2.5
129.01912	2.1
131.08569	15.4
133.10124	71.5
135.08037	7.6
135.11691	2.5
137.09575	2.2
143.08598	2.7
145.04974	5.1
145.10126	8.0
147.04552	2.3
147.11693	32.0
149.09612	5.0
149.13258	6.5
151.07574	5.5
151.11168	11.0
153.09114	16.3
158.10847	4.3
161.13237	3.1
163.11192	7.1
163.14816	7.6
165.12740	13.6
167.14365	3.0
171.10263	2.5
173.13243	42.7
175.14835	4.8
189.12720	2.1
191.14296	64.7
207.13873	2.6
209.15361	100.0
210.15550	2.0
227.12920	4.6
227.16403	94.9
231.04964	4.8
235.13342	3.3
253.14394	3.6
281.10379	3.0
457.21100	3.3
492.30402	13.1
493.16650	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
53.17302	1.3
54.25450	1.3
55.01866	4.9
55.05507	2.4
56.05027	1.7
56.76792	1.4
56.96560	1.8
57.03438	3.1
57.07056	2.2
60.04523	2.4
61.02914	2.8
64.86105	1.2
67.05492	7.0
67.08907	1.2
68.05832	1.4
68.99763	1.7
69.03429	17.1
69.03769	2.2
69.07048	5.7
70.06596	6.5
71.04993	11.5
71.60410	2.2
71.75919	1.3
72.08154	6.4
73.02895	3.2
76.02216	2.3
79.05476	9.7
81.03413	12.3
81.07052	9.4
81.77817	1.2
83.04971	4.8
84.04527	1.8
85.02907	32.7
85.06543	42.5
86.09697	4.0
87.00829	12.9
87.04475	2.8
87.09278	1.4
91.05480	8.3
93.07034	14.3
95.01360	1.4
95.04975	3.5
95.08621	7.3
97.02906	11.9
97.06521	4.4
98.97578	2.2
99.04443	6.5
99.08096	2.3
103.03954	1.6
103.05480	1.6
105.01892	10.3
105.07021	8.4
107.04956	3.2
107.08569	11.3
109.02876	12.8
109.06497	3.0
109.10170	2.0
111.04443	4.3
111.08044	6.5
116.98651	2.2
117.07007	3.1
119.08571	9.3
120.08097	3.9
121.06512	9.1
121.10151	10.4
123.00784	12.0
123.08095	2.9
123.11703	4.4
125.02353	3.8
125.05962	3.0
127.03913	21.0
129.01846	1.7
129.07039	2.0
129.10271	1.7
131.08569	25.3
133.06404	2.2
133.08571	2.1
133.10133	3.7
135.08080	2.2
135.11653	2.5
137.09619	2.3
139.07567	2.6
141.01799	10.3
143.06987	2.3
145.04922	5.5
145.10115	13.3
147.08041	2.4
147.11681	5.0
149.05994	1.8
149.09605	24.2
151.11111	2.1
155.07071	2.2
159.02859	7.8
159.08141	1.4
161.09598	1.3
163.11218	9.7
165.09152	4.1
166.08641	2.3
167.07088	2.2
167.10669	15.6
169.01328	24.3
169.12241	7.6
173.09645	3.8
175.11188	3.4
179.04817	2.3
187.11308	1.7
189.12700	3.3
191.10667	35.2
193.12250	4.4
207.13763	2.5
209.11716	49.9
211.13254	10.5
217.12270	4.9
227.12769	100.0
228.13113	2.7
229.03392	2.7
229.14330	6.8
231.04982	2.5
235.13281	7.2
253.14384	8.5
317.13348	1.5
345.14740	2.5
378.03003	1.4
456.29572	2.8
474.30292	1.7
492.16290	1.7
492.22809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01873	2.2
55.05513	3.5
67.05505	5.9
69.03432	3.2
69.07060	5.5
69.59358	12.2
70.06576	2.8
71.04993	3.8
79.05501	8.5
81.07053	22.2
83.04969	9.3
83.08635	1.8
85.02901	6.0
85.06532	3.9
86.09702	3.0
91.05470	6.5
93.07044	18.8
95.01329	4.2
95.04958	6.8
95.08599	23.0
97.02865	7.5
97.06526	17.8
99.04443	9.6
105.07018	15.8
107.04954	2.3
107.08604	17.0
109.06536	14.7
109.10161	3.6
111.08067	10.7
113.02341	4.3
113.06001	2.9
119.08575	10.7
120.08091	2.0
121.06502	50.9
121.10131	5.5
123.00793	5.5
123.04414	1.6
123.08048	3.0
123.11709	3.7
125.05958	9.9
127.07556	6.4
131.08588	3.6
133.06567	1.6
133.10103	11.4
135.04369	2.4
135.08058	6.2
137.05989	3.6
138.09123	2.4
139.07530	13.2
139.80153	1.4
141.01831	2.9
142.07755	2.2
143.07033	8.1
143.08549	2.8
145.10104	3.8
147.08038	2.1
147.11690	25.3
149.13226	2.4
151.11160	3.1
156.09239	2.1
157.08617	6.9
157.10110	8.5
159.06538	8.2
159.07990	1.5
161.13258	7.2
165.12724	7.9
166.08765	1.6
169.01405	2.8
169.12213	9.9
171.08092	1.7
171.11684	9.4
173.13264	2.7
175.11198	19.4
181.10165	2.2
189.12724	16.4
193.12204	17.2
199.11183	17.3
207.13803	8.5
209.15414	2.8
211.13254	18.6
217.12241	50.9
225.14859	1.9
229.14339	7.7
235.13277	71.1
253.14345	100.0
254.14734	2.3
271.15375	17.0
289.16458	17.7
474.18060	2.5
492.19342	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05509	2.0
56.12005	0.4
57.47039	0.3
65.33015	0.4
65.70560	0.4
67.05507	7.1
69.03428	1.5
69.07052	1.4
70.06567	0.5
70.12529	1.0
70.12939	1.4
71.04985	0.5
71.86291	0.4
79.05507	2.1
80.56613	0.4
81.03411	1.6
81.07056	6.0
83.04961	1.2
83.08611	1.2
85.02904	1.0
85.06546	0.8
89.67616	0.4
91.05473	2.6
93.07058	2.3
95.04970	1.9
95.08614	4.1
97.02899	0.6
97.06531	1.2
97.10182	1.1
98.97544	0.4
99.04505	0.5
105.07021	1.6
107.04941	1.6
107.08582	2.3
109.02905	0.7
109.06502	0.8
109.10159	8.3
110.71906	0.4
111.04464	0.7
111.08152	0.4
117.07018	0.7
119.08580	4.3
121.06515	1.3
121.10151	1.7
122.07272	1.5
123.08138	0.6
123.11707	8.4
125.09626	1.0
127.03879	1.0
129.07013	0.6
131.08568	1.1
132.76381	0.4
133.10127	0.9
135.08064	0.6
137.09618	12.8
139.07541	0.6
145.10118	1.4
147.08061	0.6
149.09644	0.7
149.13297	0.9
155.08511	0.7
155.10631	1.0
157.10165	0.8
159.08066	0.9
159.11713	0.5
161.09686	0.6
165.09114	100.0
166.09451	1.6
173.11781	0.5
175.11160	0.7
185.09665	0.5
189.11116	0.7
189.12692	1.0
190.00566	0.4
191.10594	0.4
201.11203	1.2
203.10664	0.4
203.14317	0.4
205.12263	0.6
219.13782	1.0
221.13324	0.4
227.12756	0.7
247.13342	0.4
269.42044	0.4
321.24387	0.5
329.06516	0.7
339.25241	1.0
473.25302	1.0
491.25659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.64391	0.4
55.01868	0.7
55.05502	2.2
57.03404	0.6
57.07048	0.4
59.45300	0.4
60.60437	0.4
67.05167	0.5
67.05501	6.1
68.18541	0.4
69.03431	0.7
69.07059	1.1
70.50704	1.6
71.04978	1.3
79.05492	4.3
81.03388	0.8
81.07051	6.7
83.04971	1.0
83.08621	1.0
85.02874	0.5
85.06524	0.7
91.05475	3.3
93.07045	4.1
95.04988	2.2
95.05483	0.4
95.08597	4.0
97.10156	1.2
105.07011	1.9
107.04951	3.2
107.08581	2.4
109.06525	1.5
109.09461	0.5
109.10159	7.4
117.07001	1.3
119.08574	4.0
121.06505	2.3
121.10121	1.5
122.07292	1.3
123.08048	0.9
123.11706	6.8
125.09615	1.1
129.06972	0.6
131.08565	1.9
131.12711	0.4
135.08060	0.8
135.11688	0.5
137.05928	1.2
137.09610	13.4
143.08582	0.4
145.06491	0.5
145.10120	0.9
147.04396	0.9
147.07986	1.1
147.11653	0.5
149.09622	1.0
149.13264	0.6
155.10664	0.8
161.09572	0.6
163.11118	0.7
165.09106	100.0
166.09436	1.5
170.06061	0.7
171.11665	0.4
173.11765	0.8
173.13152	0.7
183.10173	0.6
189.11218	0.6
191.10635	0.5
191.14345	0.5
199.13316	0.5
201.11224	1.3
205.68698	0.4
219.13792	1.5
227.12779	0.5
249.14714	0.5
257.12845	1.9
273.14899	0.7
299.13751	1.4
319.24515	1.3
321.24408	0.5
339.25378	1.0
349.21683	0.6
367.22714	1.7
385.23715	2.7
386.20514	0.4
459.27551	4.3
491.30524	3.8
492.30777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05511	4.1
55.31839	0.6
57.03440	0.8
61.02903	2.2
66.91651	0.8
68.99796	0.8
69.03432	63.3
69.55724	6.1
71.01350	1.8
71.05002	5.7
81.03399	0.9
81.07067	0.9
83.04985	16.3
85.02904	6.3
87.04453	0.8
98.20776	1.3
99.04462	0.8
101.06762	0.7
102.55822	0.7
111.00809	0.8
111.04446	16.4
112.56319	0.7
121.02840	0.8
123.04416	1.0
129.05487	30.7
137.02330	4.2
153.01807	4.2
163.03893	0.8
165.01857	2.4
173.05989	1.5
189.07581	10.1
201.05490	2.0
222.55591	0.9
229.04947	4.8
237.98851	0.9
257.04453	2.5
285.04034	1.3
303.05005	100.0
304.05334	3.0
315.05017	2.4
345.06161	1.4
395.07898	1.7
413.08820	1.8
491.30252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.9
56.05019	5.6
57.25176	3.5
63.75320	3.6
67.05509	22.3
67.46421	3.7
69.07071	5.6
73.88950	4.6
81.07041	15.5
83.08618	8.1
95.08606	10.3
97.78268	3.7
98.20687	6.3
102.57407	3.7
109.10163	12.8
137.91187	3.4
139.90215	4.0
175.85953	3.9
180.79999	3.6
210.18530	100.0
227.21233	30.5
302.83502	4.2
474.43005	7.1
491.29910	36.7
491.36737	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01873	3.1
55.05508	2.2
57.03442	1.8
59.04996	1.0
61.02928	1.4
63.89984	1.1
67.05495	3.5
69.03423	15.4
69.07061	2.7
70.06605	1.3
71.04991	2.7
71.37923	2.3
71.60101	1.0
73.02930	3.0
79.05492	4.4
81.03410	13.2
81.07058	4.3
85.02903	24.8
87.00828	9.7
91.05471	9.4
93.07052	3.7
95.04971	3.3
95.08598	4.8
97.02898	11.4
97.06550	2.1
99.04465	6.2
105.01862	9.9
105.07043	6.5
107.08588	4.4
109.02868	11.3
109.06518	11.1
109.10107	5.4
111.08083	1.5
117.01845	2.0
119.08581	16.9
120.08986	1.0
121.10143	23.4
123.08086	6.7
123.11587	1.2
127.03918	17.7
129.01833	2.2
129.07028	4.9
131.08569	22.6
133.06509	3.4
133.10141	5.5
135.08044	11.1
135.11743	2.2
137.09645	4.3
143.08556	2.3
145.04948	5.5
145.06442	1.1
145.10155	4.0
147.08035	25.4
147.11653	6.8
149.09647	7.2
151.07544	52.4
151.11119	2.9
156.09375	1.4
159.02896	7.4
159.08052	1.4
159.11710	1.5
161.09642	1.7
161.13252	18.6
163.11223	3.8
165.09079	7.5
165.12775	3.2
166.09471	2.7
171.11682	11.9
173.09676	1.0
177.48114	1.1
179.14314	7.4
189.12743	100.0
191.14305	20.8
207.13792	40.7
225.14850	19.9
231.05022	2.7
231.13872	2.5
246.40843	1.2
249.15015	1.4
256.00320	1.1
287.05441	1.3
419.16974	1.4
437.17801	1.5
455.19232	3.8
480.89859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26642	1.3
53.03938	2.8
55.01867	2.6
55.05498	2.3
56.96542	1.9
58.30954	1.2
67.05503	2.3
68.99807	1.3
69.03428	8.9
69.79028	8.1
70.06596	2.8
71.05010	2.2
73.02905	1.8
79.05476	3.1
81.03416	6.4
81.07062	4.6
81.89790	1.4
83.04992	2.6
83.08578	1.7
85.02894	16.0
86.57328	1.3
87.00815	6.3
91.05479	9.7
93.07032	3.6
95.04961	3.0
95.08592	3.9
97.02891	6.3
97.06538	1.6
98.20821	1.8
99.04440	3.3
105.01865	4.1
105.07030	13.0
107.08572	4.1
109.02878	8.1
109.06511	6.9
109.10150	2.9
116.06229	1.5
119.04955	3.8
119.08575	12.6
121.10165	3.0
123.08066	3.6
125.95798	1.2
126.64713	1.2
127.03902	11.1
129.07010	2.6
131.08571	25.5
133.06516	1.9
133.10089	3.4
135.08051	12.8
143.08528	2.6
145.05000	3.7
145.10147	4.0
147.08035	21.8
147.11676	1.8
149.09604	6.8
151.07538	46.5
156.09285	5.8
159.02896	4.4
159.11670	1.4
161.09622	1.9
161.13293	2.5
163.11143	3.8
165.12938	1.2
170.27864	1.2
171.11693	15.3
189.12743	100.0
191.14297	19.5
207.13788	20.8
216.45006	1.1
225.14822	4.0
229.27521	1.6
231.05142	2.2
231.13895	1.7
238.67981	1.4
300.43500	1.1
375.98358	1.3
455.19440	1.9
490.22897	1.8
490.29868	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05500	5.9
56.96573	3.3
57.03454	3.1
59.12314	3.1
67.05499	5.2
69.03417	16.1
69.07059	4.9
69.51290	2.8
71.04977	3.1
71.37476	5.9
79.05482	6.0
81.03423	10.7
81.07038	12.7
83.04987	3.4
83.08621	7.1
85.02901	32.5
85.06513	4.0
87.00835	9.7
87.04472	4.8
88.51814	3.8
91.05477	9.0
93.07058	7.0
95.04955	20.0
95.08598	9.9
97.02876	10.7
97.06568	4.5
99.04456	10.1
105.01860	14.2
105.03396	3.1
105.07016	9.8
107.08575	47.8
109.02868	4.1
109.06521	7.2
109.10156	9.7
117.62824	3.4
119.08548	6.4
121.10159	12.7
123.08064	100.0
123.11703	6.4
125.09647	27.6
127.03920	12.8
131.08574	7.3
133.10217	3.8
137.05940	4.7
137.09593	4.7
147.11681	5.2
149.09604	42.4
151.07500	5.9
163.11212	3.2
165.09070	17.5
167.10686	10.2
181.86700	3.4
182.59291	3.5
183.13680	3.5
189.12778	10.9
191.10579	8.1
195.13896	3.8
207.13792	15.6
214.34857	3.2
223.13326	5.0
225.14851	76.0
235.13339	10.3
237.14897	8.5
244.50201	3.4
249.14839	23.1
291.16141	5.4
292.43146	3.5
315.15994	5.9
414.73264	3.7
437.17996	7.0
455.18848	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02872	1.0
55.05502	1.3
56.96558	1.5
67.05510	1.7
67.05997	0.9
68.99805	1.1
69.03429	4.4
69.07043	1.7
69.57620	6.8
70.06592	13.7
71.04986	1.4
72.08148	3.4
73.02904	1.0
79.05493	1.9
81.03414	5.0
81.07053	5.5
84.04516	2.7
84.08147	4.5
85.02901	25.1
86.09703	12.6
87.00824	3.5
87.10032	2.2
91.05473	4.6
93.07049	2.9
95.04982	2.1
95.08589	1.1
97.02889	3.5
98.06065	0.9
99.04444	2.0
102.05518	1.1
103.05451	1.2
105.01865	2.1
105.07040	8.9
107.08569	3.2
109.02881	2.3
109.06500	2.1
109.10146	2.1
116.98618	0.9
117.07011	3.0
119.08579	13.5
120.08128	2.2
121.10149	3.9
123.11702	16.9
125.06004	2.5
125.09615	1.5
127.03953	5.0
129.07001	1.6
129.10254	3.6
130.06500	1.2
130.07802	1.9
130.61134	0.8
131.08554	2.4
133.06516	6.2
133.10144	1.5
135.08063	1.2
137.05991	3.0
141.06905	1.1
143.08534	2.2
143.11853	0.9
145.04979	1.2
145.10109	16.9
147.08020	3.0
147.11693	25.2
149.09671	1.6
155.08322	1.4
156.09355	5.2
159.08022	1.7
171.11728	5.8
174.10374	2.4
189.12743	100.0
190.13016	0.9
207.13812	21.7
222.09506	1.3
225.14876	5.6
245.07692	2.0
246.08084	1.2
343.13330	1.3
490.20053	1.1
490.26968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
59.04998	100.0
67.05501	3.4
69.03399	4.2
69.07050	2.4
69.23224	1.6
70.06579	3.6
71.04961	1.9
71.14447	4.1
73.06542	3.5
79.05453	1.9
81.03391	3.0
81.07035	5.0
85.02899	10.7
85.06528	2.9
86.09697	3.5
87.04456	7.1
88.15363	1.6
89.06027	82.2
91.05457	4.3
92.12024	1.7
93.07051	4.1
95.04951	3.7
95.08590	3.6
97.02878	4.6
99.04493	1.6
103.07578	82.9
104.07069	1.7
105.01840	2.0
105.07021	14.7
107.07083	3.4
107.08588	5.0
109.02837	4.2
109.06492	3.7
117.06984	3.7
117.09128	2.7
119.08564	14.9
121.10071	4.1
123.08072	2.6
123.11698	5.2
127.03932	3.7
129.06961	1.9
130.07747	1.7
131.07018	2.3
131.08557	4.3
133.06474	5.7
133.08592	50.4
135.08009	1.9
145.10124	19.2
147.08228	2.3
147.10149	34.5
147.11661	23.3
149.09637	4.5
151.07504	1.7
156.09322	4.5
165.12697	2.2
171.11676	6.9
177.11191	17.8
189.12733	93.4
191.12695	2.4
197.11659	5.1
207.13844	16.3
221.13805	3.2
225.14914	5.0
231.05127	1.9
442.03964	1.8
473.18942	2.9
473.29535	7.3
490.31189	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.05500	5.9
56.96562	5.2
69.03428	16.1
69.07069	8.0
70.06591	14.8
72.08157	6.0
79.05489	10.0
81.03429	10.0
81.07065	9.3
83.04996	6.9
83.08641	4.4
85.02927	24.7
86.09712	15.4
91.05499	8.6
93.07065	4.8
97.02897	11.5
97.06515	4.5
100.11263	24.3
105.01839	4.8
105.07043	6.3
107.04964	5.4
107.08595	12.3
109.02921	11.6
109.06534	13.0
109.10164	5.2
111.04442	5.2
111.08080	6.1
119.08578	11.9
121.06485	5.1
121.10136	10.8
123.08113	4.7
123.11716	12.8
127.03915	8.1
131.08623	5.5
133.10208	4.6
135.11781	4.4
137.05965	14.3
137.09621	26.0
138.06288	3.9
143.08621	4.5
145.10086	6.5
147.11693	11.6
149.09616	6.4
151.07555	4.7
160.50633	4.0
161.13319	7.0
163.11212	3.9
165.12775	100.0
171.11720	4.3
179.14278	7.4
182.15376	9.8
189.12749	16.4
207.13846	39.1
210.14877	10.3
490.34332	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	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.98177	1.1
53.03945	2.4
55.05510	14.7
57.03427	3.7
57.07070	1.9
59.04994	1.9
62.01592	0.9
65.03928	2.8
65.55375	0.9
67.05501	74.6
69.07070	11.7
69.39658	5.4
69.40074	3.2
71.04992	2.5
79.05491	28.7
81.07053	39.2
83.08612	9.2
85.06535	2.3
88.57700	1.0
89.41077	1.0
91.05478	22.4
93.07040	32.6
93.35171	1.3
95.04967	3.3
95.08598	27.5
97.06521	3.1
97.10181	4.7
104.71078	1.0
105.07023	20.6
107.08593	17.8
109.06514	2.3
109.10152	41.3
111.08081	3.6
117.07015	6.9
119.08574	24.0
121.10133	13.1
123.08045	1.8
123.11730	2.3
125.09642	1.3
129.06998	4.5
131.08546	15.7
131.09477	1.1
133.10133	14.2
135.07986	1.0
135.11705	8.7
137.09598	2.7
139.11159	1.3
143.08588	4.8
145.10127	12.6
147.11676	10.6
149.13254	4.4
155.08566	1.6
155.10655	2.0
157.10115	4.1
159.11667	9.8
161.13246	3.9
169.10103	3.0
171.11684	5.2
173.11749	12.3
173.13290	8.7
175.14842	2.6
183.11713	2.7
185.13278	3.9
187.14856	4.5
197.13281	2.3
199.14851	3.0
201.16389	1.3
211.14862	2.3
213.00658	1.1
213.16461	1.9
213.73355	1.0
226.57054	1.0
240.09921	1.0
241.19591	1.9
243.21210	1.7
253.19620	1.1
257.19000	1.3
259.20721	3.2
261.22144	3.7
267.21228	1.2
285.22208	2.0
289.21628	2.0
299.23563	1.7
303.88162	1.1
315.22955	1.1
332.74216	0.9
341.24033	0.9
363.25623	1.3
377.26889	2.1
379.29965	7.2
397.31067	13.4
415.32233	3.3
427.07205	1.0
433.32791	1.5
435.80774	1.0
436.61917	0.9
471.34760	13.1
489.35788	100.0
490.36301	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03931	3.0
55.05513	16.0
57.03437	4.0
57.07085	1.8
59.05000	2.9
62.24157	1.6
65.03944	2.8
67.05504	65.5
69.07063	15.6
70.78522	2.0
70.78868	3.7
79.05490	29.9
81.07054	38.8
81.07504	2.3
83.04993	2.2
83.08630	8.8
85.06533	2.2
91.05478	22.5
93.07039	32.9
93.07613	1.9
95.04980	4.3
95.08614	25.2
97.06552	4.3
97.10186	4.5
100.81403	1.2
105.07028	25.3
105.07677	2.4
107.08585	17.1
107.09205	2.1
109.06515	1.7
109.10155	34.4
111.08086	3.4
111.11783	1.7
117.07009	8.5
119.08584	24.9
119.09355	2.2
120.79448	1.4
121.10138	16.9
123.08031	1.6
123.11705	3.1
125.09682	2.6
129.07034	4.4
131.08578	18.0
133.10130	17.9
135.11703	10.0
137.09669	2.6
139.11238	2.2
141.06973	1.7
143.08615	6.8
145.02010	1.4
145.10115	20.7
147.11674	11.7
149.13344	3.5
150.95659	2.2
154.94357	1.5
155.08594	3.3
157.10173	5.7
159.11676	10.2
161.13249	6.8
169.10179	3.5
171.11684	7.0
172.95309	3.3
173.11807	8.2
173.13321	8.8
175.14919	2.8
175.38696	1.5
183.11803	4.3
185.13358	5.7
186.96806	9.2
187.14870	3.2
190.96339	3.9
195.11806	2.0
197.13310	2.2
199.14906	2.7
201.16516	1.8
204.97821	8.1
211.14874	3.3
213.14827	2.5
227.17992	1.7
241.19539	2.3
242.99380	1.9
243.21101	3.1
259.20718	2.2
261.22232	4.0
267.21100	1.7
271.20673	3.0
277.76584	1.5
285.22198	2.7
317.24741	2.0
341.24899	1.9
377.26968	2.8
379.30023	9.3
397.30978	14.0
397.34854	1.2
415.32358	5.1
420.58429	1.6
453.33362	2.1
471.34634	14.1
475.21881	4.1
489.23431	3.9
489.36047	100.0
490.36633	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.02372	1.0
53.03944	3.0
55.01872	2.1
55.05510	18.3
57.03424	4.0
57.07066	2.3
59.04999	2.7
63.38652	0.9
65.03945	2.7
67.05505	78.4
69.03432	1.1
69.07066	15.1
71.04984	3.8
79.05491	28.9
80.33294	0.9
81.07055	39.1
83.04967	1.5
83.08624	9.0
85.06548	3.8
91.05479	27.3
91.82803	0.9
93.07043	35.2
95.04990	4.9
95.08611	28.2
97.06516	4.0
97.10181	3.6
98.21487	3.4
99.08140	1.1
99.50599	1.0
105.07036	26.2
107.08591	20.9
109.06528	1.2
109.10160	41.8
111.08112	3.2
117.07010	8.2
119.08584	24.7
121.10148	14.5
123.08044	1.2
123.11709	1.8
125.09629	1.3
128.23546	1.0
129.07001	4.4
130.41185	1.1
131.08566	14.8
133.10123	17.3
135.08086	1.2
135.11702	9.5
137.09624	1.8
139.11218	1.9
142.07901	1.2
143.08562	4.7
145.10114	16.1
147.11674	12.0
149.09549	1.1
149.13269	4.9
155.08583	2.0
155.10638	2.1
157.10158	5.4
159.11711	9.4
161.13245	5.7
163.11403	0.9
169.10176	2.5
171.11708	6.3
173.11752	11.1
173.13280	7.6
175.14867	2.4
183.11696	3.1
185.13263	4.1
187.14883	3.4
197.13333	3.3
199.14845	3.3
201.16420	1.4
209.13214	1.4
211.14848	1.5
213.14764	1.9
213.16570	1.8
225.16304	1.2
241.19704	1.3
243.21037	2.1
259.20563	1.8
261.22235	4.0
271.20416	1.2
275.20197	1.1
285.22247	1.7
297.22000	1.2
315.23459	1.7
317.24774	1.7
330.01468	1.3
335.10864	1.0
377.26773	2.1
379.29947	9.3
391.28720	1.9
397.31058	13.9
415.32089	3.2
433.33017	2.1
451.84262	1.1
471.34744	12.6
489.35791	100.0
490.35916	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	4.7
55.05256	1.7
55.05511	24.0
57.03432	1.6
57.07069	4.2
59.04991	1.2
65.03930	1.8
67.05505	35.7
69.03421	1.9
69.07065	26.3
70.01884	5.0
71.04982	4.0
71.08631	14.7
73.06581	1.3
74.80956	0.9
78.85768	1.0
79.05064	1.5
79.05492	26.2
81.03413	3.7
81.07056	45.1
83.04977	3.6
83.08631	10.8
85.06551	2.4
85.10201	2.3
91.05472	24.1
91.05997	1.5
93.07048	22.6
95.04967	15.3
95.08601	26.7
95.87946	1.1
97.06528	4.6
97.10188	7.0
99.08099	8.7
103.05482	1.0
105.07030	27.6
107.04982	5.1
107.08582	15.2
109.06492	3.5
109.10150	10.1
110.15535	0.9
111.08076	3.1
111.43633	1.1
113.09615	1.6
117.07029	11.2
119.04929	0.9
119.08572	18.9
121.06488	6.6
121.10144	9.9
123.08047	3.2
123.11716	4.2
125.09636	5.5
128.06189	1.0
129.06976	9.3
130.07782	1.0
131.08559	18.0
133.06487	3.3
133.10121	11.9
135.08075	4.8
135.11684	4.6
139.11153	1.3
141.06985	2.9
142.07768	2.1
143.08575	10.5
145.06465	2.6
145.10104	15.1
147.08034	3.5
147.11682	9.4
149.09619	2.9
149.13231	1.8
151.11176	26.4
155.08533	6.0
157.06416	1.2
157.10103	6.7
159.08064	1.4
159.11690	7.6
161.09639	3.5
161.13223	5.0
163.11209	4.6
165.09064	1.4
165.12770	3.6
169.10089	5.1
171.08005	1.4
171.11603	5.9
173.09666	1.1
173.13278	4.7
175.11200	2.4
175.14764	1.9
177.12801	6.1
181.10124	1.4
183.11729	4.4
185.11772	0.9
185.13216	5.5
187.11186	1.5
187.14864	3.8
189.11214	2.8
189.12726	2.4
189.16411	1.1
191.00836	1.0
191.14337	2.4
195.11732	3.5
195.13718	1.2
196.05528	1.0
197.13199	3.0
199.14833	3.2
199.49121	1.0
201.12737	1.3
201.16412	3.1
203.14339	2.9
205.15921	1.7
211.14856	2.8
213.12839	1.4
213.16391	3.6
215.14302	2.2
223.13295	3.8
223.15167	1.2
225.16414	2.1
229.15858	1.4
231.17537	1.1
237.16481	1.3
239.18013	1.6
245.18977	1.4
247.16870	2.1
257.19150	1.3
271.16846	1.2
275.20105	1.4
277.21597	2.1
279.23264	1.7
285.22034	1.1
289.21555	1.8
293.21219	1.6
301.21634	2.1
301.25269	2.1
303.23157	3.3
305.21252	1.7
307.22858	3.1
311.23727	1.3
315.23236	2.8
319.22650	2.9
327.23196	1.7
329.24817	1.2
333.24258	3.7
337.25174	2.8
339.23001	1.9
339.85721	1.1
341.24777	4.1
343.22556	1.5
345.24277	2.3
355.22519	1.5
355.26334	7.3
357.24304	2.4
359.25845	1.9
373.27295	9.1
375.25256	8.2
391.24701	1.4
407.33060	2.2
417.31436	3.1
425.34158	4.1
435.32523	11.8
443.35220	3.7
453.33658	27.2
461.36206	2.9
471.34711	55.1
472.34860	1.3
489.35764	100.0
490.35687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97791	9.6
55.05500	39.5
56.96568	12.7
57.07076	24.5
63.12649	9.1
67.05510	63.0
69.03426	30.6
69.07076	52.7
71.04984	26.7
71.08672	9.7
71.59799	10.9
73.22691	8.2
79.05484	36.1
81.03427	20.8
81.07053	98.7
83.04966	80.5
83.08627	19.0
85.02911	51.4
91.05494	34.5
93.07040	42.2
95.04974	47.7
95.08607	100.0
96.18619	8.5
97.02897	24.1
97.06537	24.8
97.10175	14.9
99.37740	8.4
105.01892	11.1
105.07018	51.7
107.04949	18.9
107.08604	35.2
109.06530	19.7
109.10175	42.7
111.11716	16.8
113.06010	32.9
119.08589	41.9
121.10144	28.6
123.08126	14.2
123.11694	27.9
125.09610	10.5
127.03920	23.7
131.08556	14.6
133.10127	30.7
134.99643	8.4
135.11710	23.6
137.05930	13.7
145.02800	15.0
145.10176	17.1
147.11705	22.5
149.13261	12.1
151.07549	19.1
165.09119	36.8
167.06972	11.8
171.11626	11.0
175.07690	13.5
177.05423	22.3
189.16425	12.2
191.18071	12.1
249.21266	8.3
253.64293	10.8
276.39734	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	489.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05515	13.6
57.03430	15.5
57.07068	4.2
63.73062	1.3
65.03925	3.7
67.05502	64.6
69.07060	13.6
70.73284	2.9
71.04971	2.5
71.53960	1.4
79.05487	40.9
81.07049	59.3
83.08627	8.1
85.06563	3.7
85.93830	1.4
88.36700	1.5
91.05471	24.3
93.07039	51.8
93.07625	2.8
95.04959	4.2
95.08598	45.0
97.06487	2.3
97.10158	3.5
98.60948	1.4
98.98462	70.2
98.99120	3.5
99.04497	1.6
105.07024	25.1
105.82034	1.5
107.08585	34.1
107.52534	1.4
109.10152	27.0
111.08078	3.4
116.99482	2.3
117.07032	9.5
119.08576	17.5
121.10137	24.4
123.11685	8.4
129.07024	3.1
131.08543	17.8
133.10107	15.3
135.11678	18.2
137.00005	4.1
137.13306	2.8
143.08533	2.4
145.10097	11.9
147.11653	9.7
149.13228	13.1
155.01031	63.4
157.10168	1.8
159.11694	11.1
161.13232	10.0
163.11150	1.7
163.14792	8.4
173.11824	3.1
173.13272	7.7
175.14832	4.8
177.16393	3.3
182.58752	1.8
187.14865	6.1
192.95773	1.5
201.16367	3.4
211.03651	4.6
229.04724	7.9
233.22762	1.9
243.21091	19.4
249.49158	1.7
261.22125	35.3
277.21594	1.9
299.23767	1.5
317.24738	16.3
335.25781	100.0
336.26132	5.9
379.29910	2.6
397.31024	2.1
415.22345	4.3
447.25104	1.7
471.25104	13.0
471.34900	2.9
489.29788	1.6
489.35995	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	489.1739
Annotation	Egonol glucoside
Peak:m/z	Relative Intensity
53.22713	1.4
53.71616	1.3
56.96570	3.9
66.56915	1.5
67.96790	1.3
69.03420	1.5
70.06582	2.6
71.04982	1.5
71.60187	1.5
71.60574	1.5
78.26273	1.3
81.03377	1.5
84.04529	1.9
84.08145	1.5
85.02882	3.7
86.09692	2.9
95.04969	1.7
97.02902	1.9
98.97573	4.9
99.04412	1.5
99.46210	1.3
105.07014	1.8
107.04948	3.0
107.08619	2.8
116.98655	2.6
121.10188	1.8
125.09662	3.0
127.03915	1.5
127.99584	1.5
133.01755	1.6
134.99648	2.4
136.72069	1.6
145.10165	1.8
167.06995	1.5
177.00789	1.5
181.12212	1.8
203.05858	1.9
207.06937	2.5
219.01654	2.5
223.13245	3.0
225.07964	48.0
237.02916	2.0
241.14334	2.1
243.09038	19.8
257.06967	1.6
267.08981	15.0
276.74200	1.4
279.03903	3.8
285.09970	9.1
295.84616	1.4
303.11023	1.8
327.11942	57.4
332.15295	1.6
342.96829	1.6
346.42142	1.4
369.12158	4.0
489.17261	100.0
489.30069	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	489.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11978	1.5
53.03942	4.1
55.05508	13.2
57.03439	19.9
57.07072	4.7
67.05502	60.8
69.07068	12.2
71.08652	2.0
71.33896	1.5
79.05487	38.3
81.07052	66.7
83.04971	2.5
83.08622	7.0
85.06573	1.8
91.05475	28.0
93.07037	51.1
93.07629	3.1
95.04971	4.3
95.07980	2.3
95.08600	49.2
97.06542	3.3
97.10180	2.9
98.21484	4.1
98.98460	71.6
99.08078	2.4
101.06039	1.9
105.07021	21.5
107.08590	32.1
109.06511	1.8
109.10152	25.3
111.08014	1.8
117.06998	8.6
119.08565	22.6
121.10136	25.5
123.10889	1.7
123.11658	8.5
129.07079	1.6
131.08560	13.6
133.10109	18.2
135.11688	20.3
136.99988	5.1
137.13290	3.3
143.08545	2.3
145.10124	12.8
147.11693	11.6
149.13216	14.3
151.14850	1.6
155.01028	72.7
159.11670	11.3
161.13283	8.5
163.11224	2.1
163.14885	7.8
168.81575	1.7
173.13219	12.8
175.14850	4.1
177.16385	4.0
179.14230	2.1
187.14809	6.1
201.16386	1.8
211.03635	7.4
229.04755	6.8
233.22668	2.7
243.21103	22.1
261.22134	36.3
277.21658	2.4
299.23734	2.9
317.24698	17.7
335.25784	100.0
355.41403	1.9
381.34323	1.9
415.22433	2.8
471.25055	16.4
489.35916	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	488.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.18535	3.4
55.01870	3.6
55.05507	9.7
55.24955	3.3
56.96558	4.1
57.03411	5.2
58.99580	16.3
61.01160	4.2
61.02923	6.6
62.99076	15.5
63.77399	3.3
65.20542	4.2
67.05508	14.2
69.03436	4.4
69.07076	6.9
70.06619	3.5
71.60132	4.4
73.02901	4.1
75.01042	4.3
79.05502	21.0
79.05897	3.5
81.03451	3.6
81.07058	47.7
82.07391	4.7
83.04998	5.3
85.02913	12.0
86.09699	4.7
86.99039	11.3
87.00838	4.3
89.00623	4.0
91.05475	44.5
93.07037	30.2
95.04975	12.7
95.08620	12.8
97.06545	8.6
98.97611	4.7
103.05439	5.0
105.07030	52.5
107.04932	9.1
107.08612	17.2
109.06506	5.7
109.10143	7.6
110.10454	4.3
115.05452	6.4
117.00085	16.4
117.07024	31.4
119.04983	4.4
119.08576	22.4
121.06480	4.1
121.10167	9.2
121.63908	3.5
123.04465	4.4
124.75480	3.5
128.06248	11.6
129.01830	5.9
129.06998	24.1
131.08553	36.6
133.01309	8.8
133.06526	5.3
133.10156	8.9
135.08031	5.2
137.09621	6.1
141.06998	17.3
142.07771	18.5
143.08575	43.3
144.09213	3.4
144.99541	4.5
145.06465	5.0
145.10133	36.5
146.10568	4.6
147.02763	5.3
147.04372	3.6
147.08095	4.9
147.11696	14.1
149.09666	5.0
154.07788	11.8
155.08580	22.6
156.09337	5.9
156.61269	3.4
157.10124	37.8
159.08087	4.2
159.11685	51.4
161.04173	5.1
165.07050	4.7
166.07758	11.5
167.08575	7.5
169.10155	33.0
171.11665	40.5
173.09659	9.1
173.13301	4.7
175.02419	39.2
175.11201	14.0
177.12778	9.9
181.10104	26.9
183.11519	3.9
187.11171	14.9
187.14877	5.5
189.12790	6.9
191.00146	16.2
197.09676	9.5
199.11192	46.9
200.11899	11.0
201.12665	8.2
203.08931	9.5
203.10681	5.3
205.12244	4.3
215.10719	3.9
217.12262	29.6
218.13077	6.4
221.09985	7.4
221.22095	3.8
227.10759	13.8
231.08406	12.5
236.78261	3.5
239.11064	4.7
245.11748	12.0
246.53639	3.7
249.09436	33.7
267.10529	72.1
277.08914	21.6
295.10004	67.3
298.21710	4.6
316.22757	8.0
321.11655	4.4
334.23676	27.2
339.12863	4.0
349.11111	5.2
367.12106	100.0
369.08356	4.8
385.12842	3.7
453.12018	7.2
471.13211	94.3
488.23627	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	487.3417
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
55.05498	11.4
57.07065	4.7
65.37145	3.3
66.67052	3.2
67.05501	15.7
69.03396	3.2
69.07074	18.2
69.07375	3.8
70.02079	3.5
74.12332	3.9
76.86940	3.9
79.05473	12.2
81.07053	38.9
83.08609	11.4
85.09319	3.7
91.05503	12.1
93.07043	26.5
95.04938	4.5
95.08604	34.6
97.06496	4.0
97.10165	14.9
105.07027	25.6
107.08592	46.4
109.06548	7.3
109.10145	27.9
119.08582	53.7
121.06499	4.6
121.10156	32.6
123.08059	6.5
123.11717	7.7
125.09647	3.4
127.83266	3.3
131.08571	10.0
133.10126	30.9
135.08052	4.5
135.11708	15.7
143.10696	4.0
145.10097	24.5
147.11696	13.3
149.09633	8.2
153.09122	6.0
157.10175	6.0
158.32671	3.4
159.11720	15.8
161.09570	3.9
161.13295	9.3
163.11143	3.8
163.14784	5.2
167.10677	8.2
171.11646	4.6
173.13271	7.6
175.14821	100.0
177.12688	3.2
177.16403	50.5
179.10547	4.4
181.12186	7.3
185.13257	8.2
187.11201	7.6
187.14804	16.4
189.16328	4.2
193.15869	8.9
199.14822	4.0
200.40642	3.6
201.16370	9.8
203.14301	90.1
205.15912	8.8
213.16469	4.8
215.18159	3.6
217.15858	4.7
219.17433	5.6
221.15320	26.5
227.17984	4.3
231.17369	7.2
237.18398	8.1
247.16928	35.0
249.14864	31.8
326.29791	3.8
359.26160	6.3
405.31393	11.3
411.11407	4.4
423.32703	38.8
441.33630	33.4
451.32056	6.5
461.89948	3.7
469.33264	18.9
487.34332	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
58.99578	13.1
61.01149	5.9
61.02930	4.5
62.99066	13.3
67.05490	13.2
68.99792	3.2
69.03417	6.5
70.06591	4.2
71.59805	2.8
73.02920	5.5
79.05491	22.0
81.07058	33.9
83.04992	6.2
85.02883	4.5
86.09700	6.5
86.99068	15.1
87.00793	5.2
91.05480	35.8
93.07049	23.5
95.04962	8.4
95.08629	9.3
97.06510	5.6
101.00587	5.3
105.07027	42.6
107.04943	11.3
107.08585	9.9
109.06539	5.7
111.02655	4.0
115.05448	3.8
117.00093	12.3
117.07021	28.3
118.91781	2.8
119.04971	4.2
119.08553	14.3
119.54832	2.8
121.06491	5.3
123.04440	4.7
128.06224	11.8
129.01857	6.3
129.06995	29.2
130.07817	6.9
131.08585	28.0
133.01332	5.2
133.10118	9.4
135.08104	3.3
135.11710	3.5
137.04086	3.7
137.05977	8.2
140.08372	3.1
141.06990	8.2
142.07840	15.6
143.08559	43.8
144.09314	4.8
144.99541	3.6
145.06453	6.0
145.10146	26.8
147.02634	8.1
147.04428	7.0
147.08080	5.3
147.11697	11.3
149.09546	2.8
149.13251	5.7
150.25200	3.3
153.07005	4.5
154.07777	6.2
155.08586	15.1
156.09344	9.2
157.06480	3.9
157.10126	24.1
159.08029	5.0
159.11676	44.5
161.05984	3.6
165.07042	8.6
166.07782	11.2
167.08551	3.9
169.10089	28.9
170.10957	4.5
171.08002	4.6
171.11705	40.6
173.09694	6.2
173.13248	4.7
175.02383	37.1
175.11186	9.2
176.11858	4.0
177.12704	8.2
181.10133	27.9
183.11647	5.7
185.09634	6.9
187.05817	3.3
187.07497	3.9
187.11183	10.4
189.12828	4.1
191.00099	12.7
197.09676	7.2
199.11188	48.2
200.11888	3.5
201.12735	8.2
203.08885	12.9
213.07298	6.8
215.10777	4.2
217.12239	19.0
218.12961	5.9
221.10054	4.2
227.10681	10.6
231.08403	13.0
245.11765	12.4
249.09421	24.3
267.10501	62.7
277.08942	18.0
295.09991	63.2
321.11530	4.9
367.12076	94.4
368.12500	3.4
385.13293	3.8
406.67215	6.4
471.13217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.05524	27.3
56.96560	8.9
57.07064	5.2
67.05501	26.9
69.07059	24.0
69.18800	5.0
70.26196	11.5
70.26585	8.9
71.04970	6.9
72.83891	4.7
79.05496	18.6
81.07052	42.1
83.04969	8.3
83.08614	28.0
83.31789	4.2
91.05470	18.6
91.16662	4.5
93.07050	41.1
95.04987	9.1
95.08602	72.9
97.06528	8.1
97.10172	12.6
99.04457	11.7
105.07021	32.3
107.08600	72.1
109.06506	9.4
109.10169	33.2
111.08085	5.2
117.07005	14.5
119.08572	100.0
121.10129	44.1
123.08070	12.8
123.11699	17.3
129.07010	7.4
131.08572	22.7
133.10101	39.5
135.08054	20.0
135.11700	25.4
137.13202	4.9
141.06982	6.2
143.08554	9.9
145.10117	50.7
147.08031	5.4
147.11693	28.6
149.09599	12.7
149.13231	13.8
153.12759	10.1
155.08507	7.4
156.09354	5.3
157.10124	21.1
159.11673	27.7
161.09654	11.0
161.13252	20.9
163.07555	11.3
163.11220	7.7
163.14807	14.8
167.10660	13.3
169.10213	13.1
170.11034	5.2
171.11717	23.5
173.09607	6.7
173.13242	23.9
175.11200	9.0
175.14822	20.2
177.16368	5.3
179.14244	6.1
181.12167	7.9
183.11705	10.3
185.13275	33.6
187.14836	53.1
189.12669	7.5
189.16396	18.2
191.14177	5.0
193.15703	5.4
197.13326	5.6
199.14792	21.0
201.16409	11.8
203.01915	4.5
205.15894	15.6
207.13863	7.5
211.14755	9.8
213.16385	14.2
215.14290	5.3
217.15811	10.4
219.17418	12.1
227.17932	5.4
229.15881	9.6
231.17365	14.2
233.15381	13.0
235.16968	6.3
237.18576	5.5
247.17049	6.4
250.66315	4.5
275.16415	20.0
281.22504	6.8
313.17957	10.7
313.25012	5.7
405.31476	16.3
423.32523	50.7
433.31219	7.1
441.33725	26.3
451.32196	45.8
469.33173	48.7
487.34262	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	487.3415
Annotation	Cheiranthic acid
Peak:m/z	Relative Intensity
53.03942	4.5
54.62586	1.9
55.01870	10.6
55.05505	36.0
57.03437	2.5
65.03947	4.5
67.05503	78.1
69.03420	3.7
69.07063	33.6
71.04968	3.9
71.40353	3.8
71.40672	2.3
78.27010	2.1
79.05496	42.0
81.03410	4.3
81.07060	55.8
83.04963	4.3
83.08619	16.2
85.06530	3.4
91.05479	40.3
93.07040	37.0
95.04955	11.8
95.08605	38.2
97.06534	14.3
97.10181	10.1
98.20699	1.9
103.05486	2.2
105.07037	46.2
107.04957	12.6
107.08591	24.2
109.06544	9.9
109.10153	21.6
111.08099	4.8
115.05453	4.7
116.06299	1.9
117.07024	19.5
117.27374	1.9
119.08568	35.4
121.06498	7.9
121.10147	15.0
123.08081	5.1
123.11709	4.0
125.09641	7.5
127.03908	2.1
128.06195	5.2
129.06999	15.6
130.20464	2.1
131.04916	3.2
131.08569	30.8
132.43134	2.4
133.06482	10.4
133.10118	20.9
135.08035	6.6
135.11694	8.7
135.56920	1.9
137.09550	6.0
141.06984	9.4
141.52094	2.1
142.07759	4.4
143.08559	22.7
145.06476	9.8
145.10114	22.3
147.08060	9.8
147.11700	16.6
149.09641	14.5
149.13242	5.6
153.06993	3.1
155.08559	13.3
157.06482	2.4
157.10165	18.0
159.08063	7.7
159.11711	16.5
161.09563	5.0
161.13339	4.0
163.11261	4.1
165.12714	3.0
167.08578	4.8
169.10126	16.2
171.08052	3.8
171.11710	12.5
173.09637	7.2
173.13272	7.4
175.11180	3.9
181.10158	6.3
183.11737	10.1
185.09647	3.0
185.13280	8.7
187.11185	6.2
187.14906	2.8
189.11261	4.2
189.12796	3.9
195.11736	4.9
197.13272	8.0
199.11188	3.3
199.14838	7.1
201.12750	3.6
203.14362	5.2
207.11670	4.9
209.13272	4.6
211.14807	5.4
213.12726	2.7
215.14284	3.5
221.13339	2.7
221.15450	2.3
225.16377	3.8
238.86224	2.2
263.16443	3.3
273.18213	2.7
275.20059	11.6
277.21826	2.4
287.20145	2.8
291.19482	3.9
295.20673	2.9
297.22214	2.4
299.20084	6.7
299.23373	3.0
301.21646	4.7
311.23465	3.0
313.21640	5.2
315.23257	7.2
317.21094	4.9
325.21692	2.4
327.23291	4.2
331.22440	3.2
339.23102	4.7
343.22510	3.1
353.24768	3.0
355.26395	4.4
357.24155	2.4
375.25220	3.6
415.29608	3.5
417.26245	2.7
423.32602	4.0
433.30927	19.1
451.32071	43.9
459.34799	4.8
469.33148	78.9
470.33331	3.9
487.34167	100.0
488.34497	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01861	6.2
55.05501	20.2
55.85921	4.2
57.03430	5.5
57.07078	5.9
62.25243	4.2
67.05495	21.2
69.03417	13.1
69.07063	18.7
69.69176	8.6
69.69489	33.7
70.06598	36.6
71.04991	21.6
72.08169	5.8
72.81280	4.2
73.02908	6.0
79.05504	24.3
81.03418	8.8
81.07059	84.9
83.08618	15.6
84.08163	6.5
85.02901	28.6
85.06566	4.6
86.09693	16.0
87.00836	11.6
91.05476	31.4
93.07048	55.6
95.04965	12.7
95.08618	43.9
97.02909	12.1
97.10125	5.4
98.21454	10.4
99.08080	10.2
103.05412	5.8
105.01881	11.0
105.07033	77.5
107.08596	74.1
109.02867	7.3
109.10137	29.8
111.11617	5.4
115.03938	5.6
117.06994	4.7
119.04933	6.0
119.08582	60.0
121.10158	22.2
123.08082	5.6
123.11707	33.2
125.09629	6.5
127.03928	14.2
127.11183	14.1
131.08588	8.3
133.06490	5.1
133.10124	46.6
135.11691	100.0
137.05974	16.4
137.13293	8.6
139.68123	4.5
143.08540	9.7
143.10635	8.7
145.10136	12.4
147.04410	19.3
147.11681	31.1
149.13222	15.1
153.12730	11.9
157.10153	11.0
159.11699	16.6
161.13234	34.5
161.32487	4.8
171.11688	10.9
175.14687	6.0
177.16446	5.2
178.05121	8.1
181.10150	6.2
199.11215	6.7
203.17958	47.9
205.19588	11.2
221.19000	25.4
239.20203	5.6
243.17110	24.6
249.09167	6.1
267.10455	7.5
295.09933	7.0
297.27496	5.5
341.18906	5.2
355.20148	21.1
363.86172	5.2
367.12088	13.1
405.67435	25.7
406.17584	14.3
446.21268	5.0
451.14072	5.3
471.13342	8.2
489.27774	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	487.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69666	0.3
55.05511	0.4
57.03421	0.4
59.74783	0.4
64.43159	0.4
67.86063	0.3
69.03420	0.5
69.07063	1.3
69.39038	0.3
70.91388	1.0
72.00334	0.4
79.05485	0.6
81.03416	0.7
81.07054	1.0
85.02896	0.5
91.05492	0.6
93.07076	0.4
94.66222	0.4
95.04948	0.5
95.08627	0.6
97.02863	0.5
97.06525	1.0
105.07032	0.8
107.08582	0.8
109.10174	0.5
119.01913	2.1
119.08592	0.6
131.01917	0.8
131.08548	0.6
133.10092	0.4
137.02943	0.6
145.03456	0.8
145.10146	0.7
147.05016	0.7
157.03494	0.4
159.66887	0.4
161.02959	1.7
165.06087	1.3
171.05089	0.4
173.02980	0.5
185.02994	0.5
187.04570	0.4
189.06091	6.1
207.07156	1.0
212.07747	0.6
216.21964	0.4
219.07307	0.4
221.05020	0.7
225.06041	0.5
227.05258	0.9
231.07202	1.7
235.55000	0.4
239.16211	1.5
245.06479	0.5
250.05692	0.4
251.07025	0.4
267.15726	0.5
271.04297	1.1
273.08246	1.9
279.53137	0.4
289.05295	0.5
291.09210	0.8
313.16077	1.8
355.17371	3.9
399.16299	3.2
401.20917	6.1
419.21350	0.4
443.22379	23.6
444.22385	1.1
487.21500	100.0
488.21976	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.6
55.01869	13.2
55.05500	17.2
56.96544	9.5
57.03428	7.6
57.07071	5.3
61.02919	10.4
67.05510	19.6
68.99786	3.6
69.03442	44.9
69.07071	20.1
70.06588	6.3
70.13740	7.4
70.14132	10.2
71.04988	24.9
72.08167	4.4
73.02909	10.4
74.92022	3.0
79.05492	29.2
81.03413	37.6
81.07055	87.0
83.04985	4.5
83.08597	10.6
85.02422	6.2
85.02902	90.7
85.06542	67.4
86.09679	14.6
87.00825	39.8
87.03588	3.6
91.03899	4.4
91.05450	23.0
93.07037	42.5
95.04955	13.1
95.08585	48.7
96.05492	3.5
97.02888	32.0
97.06529	25.2
97.10179	6.4
99.04438	15.9
99.08077	11.2
105.01865	20.6
105.07024	34.5
107.04922	4.5
107.08593	58.3
109.02883	33.5
109.06481	9.6
109.10153	51.7
110.06045	3.8
111.08083	12.0
117.01884	3.6
117.06953	5.2
119.08592	32.3
119.83788	3.2
121.10154	19.8
123.08097	6.5
123.11691	40.4
127.03908	49.0
127.11205	24.6
129.06979	6.0
131.08546	11.7
133.10130	49.3
135.07938	4.6
135.10680	5.7
135.11684	80.9
137.09647	4.5
142.07780	3.8
143.08508	6.5
145.04948	22.9
145.10077	13.1
147.11684	23.1
149.13243	6.2
151.07539	4.0
153.12747	100.0
157.10060	6.0
159.02905	18.2
159.11699	12.3
161.13254	11.7
163.11102	4.5
163.14847	8.2
165.09076	5.8
165.12749	14.9
170.13556	4.0
175.14769	6.6
177.12737	6.1
177.16377	8.7
185.13445	4.2
191.17917	13.4
195.17444	6.1
199.11215	4.0
201.12460	4.3
201.16389	3.6
203.17950	47.8
209.19019	17.6
211.07404	3.7
221.15410	5.1
221.18932	23.7
229.12030	4.2
231.05042	7.4
239.16403	16.3
239.20029	23.7
245.10126	3.6
307.26178	9.7
309.14874	4.1
329.21115	5.0
329.86066	3.8
342.10614	6.3
487.22031	16.9
493.61270	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	487.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
57.03426	0.4
67.05493	0.5
68.90794	0.2
69.03414	0.7
69.07070	1.3
71.20852	0.2
71.60027	0.4
77.44460	0.2
79.05484	0.9
81.03405	0.5
81.07051	0.9
85.02885	1.2
91.05469	0.5
93.07047	0.6
94.30287	0.2
95.04955	0.8
95.08636	0.6
97.02878	0.3
97.06525	1.8
105.07044	0.4
107.08582	0.5
109.02880	0.5
109.10178	0.5
116.69762	0.3
119.01911	0.8
119.08571	0.6
121.10133	0.3
127.03925	0.5
130.10184	0.2
131.08585	0.4
137.02893	0.3
143.13753	0.2
147.11635	0.3
161.02940	0.6
165.06061	0.6
167.03255	0.3
167.08650	0.2
167.93536	0.2
183.11769	0.3
185.04314	0.3
189.06081	3.6
201.09152	0.3
203.04100	0.2
207.07062	0.4
212.07652	0.3
213.06015	0.4
221.18962	0.3
227.05345	0.6
231.07153	0.9
239.16162	1.5
245.06358	0.3
251.07086	0.3
267.15839	0.4
271.04260	0.7
273.08340	0.9
289.05444	0.4
291.09256	0.5
307.09476	0.3
313.10532	0.3
313.16245	2.3
325.10803	0.6
337.14676	0.3
355.17267	4.3
399.16275	4.0
401.21353	4.0
408.40085	0.2
419.21292	1.4
425.21625	0.4
441.95175	0.3
443.22510	18.4
444.22757	0.7
461.21927	0.3
487.21503	100.0
488.21823	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
56.96565	0.4
67.05479	0.8
69.03416	0.7
69.07054	0.5
69.58649	2.7
70.06593	1.9
72.08139	0.4
81.03387	0.4
81.07043	1.2
84.08122	0.4
85.02907	0.7
85.06544	1.8
86.09702	2.9
91.05466	0.6
93.07013	0.8
95.04972	0.3
95.08613	0.9
98.97585	0.5
105.07044	0.5
107.08604	0.7
109.10165	0.3
119.08595	0.5
121.10166	0.5
127.03934	0.4
128.20892	0.3
142.45815	0.3
145.10080	0.5
149.01299	0.4
171.06738	0.4
180.07352	0.4
182.45193	0.4
207.13931	0.5
229.15466	0.5
251.11317	0.6
252.09395	1.9
267.09238	0.4
269.12418	1.5
285.10034	0.8
293.12421	0.4
325.16125	2.3
337.14133	0.3
371.27814	0.3
443.17834	0.5
485.17358	0.5
487.21487	100.0
488.22040	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	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06589	0.3
53.03942	0.4
56.96553	0.5
60.45342	0.3
67.05494	0.5
69.07050	0.3
70.06590	2.7
70.72378	0.7
70.72741	0.6
71.06923	0.4
79.05466	0.3
81.03419	0.8
81.07039	1.0
85.02907	0.9
85.06538	0.9
86.09707	4.2
93.07025	0.4
95.04980	0.4
95.08617	1.0
97.02882	0.5
97.22873	0.3
98.97589	0.4
121.10162	0.4
127.03911	0.7
131.08575	0.4
147.08057	0.4
147.24332	0.3
159.11751	0.5
199.18088	0.7
203.05315	0.8
229.15454	0.7
230.15701	0.5
237.02982	0.5
259.07806	0.6
267.09320	0.5
269.12424	2.0
285.09915	0.4
325.16241	1.1
397.72202	0.4
487.21509	100.0
488.21722	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80473	0.9
56.96562	15.3
57.80859	1.0
63.47601	1.0
64.91627	1.0
67.05518	1.4
71.51529	1.9
71.95267	2.0
72.96032	0.9
81.07056	2.7
94.04626	1.1
95.08641	1.0
102.92589	2.3
118.92104	2.0
128.98592	1.9
136.93123	6.4
146.99673	2.1
150.94521	1.3
150.95663	8.2
154.94168	21.6
155.03809	2.1
157.99887	1.2
161.01202	1.4
168.95721	18.2
172.95242	35.2
186.96796	100.0
189.04227	1.3
190.96271	21.6
195.96861	1.8
204.97856	79.6
209.98431	8.4
210.96829	4.4
222.98798	1.3
224.98433	6.6
226.99899	2.7
227.99458	5.6
228.97873	13.5
230.99353	2.0
242.99434	19.3
245.00999	2.7
246.98933	3.3
247.99942	1.4
251.99411	2.0
258.39474	1.3
261.00491	2.0
313.27380	1.3
319.19403	23.6
319.23117	1.2
335.18790	2.5
337.20502	56.3
355.21646	3.9
360.22098	7.9
375.22168	2.3
396.81070	1.2
399.16174	1.5
413.17535	4.5
427.19232	7.9
431.18964	5.5
445.20679	1.1
455.18298	11.0
469.20435	11.0
473.19797	58.8
474.20203	1.5
487.21408	41.2
488.21957	1.2
496.21384	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	4.8
57.03452	2.8
59.06119	2.2
66.49903	2.0
69.03444	17.4
69.65520	16.1
70.06592	28.0
71.04996	5.9
71.06953	1.7
72.08154	9.4
72.34609	1.9
73.02910	3.0
79.05502	2.7
81.03432	19.8
81.07062	2.4
84.04514	2.7
84.08136	5.8
85.02917	19.3
86.09708	11.8
87.00840	5.7
88.84866	2.1
91.05471	4.6
97.02899	6.4
99.04456	9.2
105.01883	5.6
105.07037	2.8
109.02903	8.3
116.98630	2.4
117.05495	2.2
127.03929	12.1
129.10239	3.9
143.08531	2.7
145.04988	4.7
145.07623	5.0
147.09201	6.5
159.02899	3.4
163.04021	2.3
173.07152	7.0
174.61650	2.1
175.08803	4.9
188.11591	2.2
191.06398	5.2
191.08151	100.0
215.10704	2.4
221.05954	3.4
239.16362	4.9
245.11284	3.7
283.09061	2.2
295.06027	11.7
307.09625	4.1
307.12885	30.0
325.13928	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10425	0.3
52.71054	0.3
55.01860	0.4
55.05498	0.3
57.03412	0.6
57.14137	0.3
58.99571	0.5
68.05004	0.4
69.03425	0.7
70.06594	2.0
70.24872	1.1
71.04992	4.9
72.08132	0.7
80.05005	0.4
81.03413	0.6
83.04971	0.8
83.90807	0.3
84.04489	0.9
84.08128	0.7
85.02905	7.1
86.09694	1.8
88.73881	0.3
89.03900	0.7
96.04490	2.0
97.02888	0.6
98.00677	0.3
102.05548	0.4
109.02866	0.6
110.07178	0.4
111.04430	1.1
112.02184	2.7
116.01661	0.3
117.03383	0.4
123.04428	5.5
127.03907	0.6
129.05518	1.4
129.10191	0.4
133.02846	4.5
135.04414	1.5
140.01648	7.5
142.03214	0.4
143.08559	0.3
145.10150	0.4
149.81296	0.3
151.03903	2.4
163.03928	3.6
168.01160	1.1
169.04282	0.7
171.11736	0.5
179.03394	100.0
180.03741	1.9
197.03864	0.6
198.00443	0.5
215.04906	1.4
217.12193	0.6
231.05237	0.3
243.04369	4.7
247.05833	0.4
289.07269	0.3
294.01083	0.3
295.06082	0.5
325.09030	0.3
341.08655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04112	0.9
55.05489	1.0
56.96561	22.7
64.71023	0.8
65.03938	2.5
67.05500	3.6
69.03421	1.4
69.07063	0.9
70.06579	3.2
71.04986	2.3
71.59084	1.6
72.08153	1.1
79.05489	2.6
81.03417	1.3
81.07038	1.4
84.96027	4.9
85.02898	2.3
86.09695	3.2
88.02229	0.9
91.05487	1.7
93.07030	1.9
95.04965	100.0
95.08583	1.1
97.02885	1.6
97.06532	1.2
97.96799	1.2
98.97577	41.5
99.04436	4.5
101.07146	1.6
105.07030	3.5
107.08583	2.4
109.06529	2.2
110.97585	3.8
111.08096	1.4
115.00712	1.2
116.83743	0.8
116.98616	32.6
119.08598	1.6
121.10111	1.1
127.00708	1.6
127.03918	0.9
128.98616	7.0
131.00153	1.2
131.08548	1.7
132.05104	0.8
133.10129	3.7
134.99649	18.2
135.04436	1.4
135.08073	0.9
137.06023	1.2
140.00163	1.1
143.00156	2.0
143.07030	1.2
143.08429	0.9
145.01711	2.8
146.99695	5.0
149.01207	1.6
153.00719	2.5
153.09088	5.2
153.62639	0.8
155.03760	1.0
158.99667	9.8
159.03275	3.7
161.01231	3.0
163.03908	6.7
165.00758	1.2
170.99666	1.2
173.04857	2.1
173.13364	1.0
177.00713	23.3
195.01761	2.1
195.06905	1.9
197.04868	1.8
199.06406	2.1
200.02339	1.7
200.13797	0.9
201.04359	1.6
205.05350	0.8
211.02939	1.0
213.08003	3.7
215.05925	2.0
219.01759	11.2
220.09633	0.7
221.08496	3.6
223.06509	1.7
227.06001	0.9
231.08884	1.4
237.02792	16.1
237.05074	1.0
237.07990	2.1
237.88509	0.8
239.09554	12.4
241.07494	1.0
243.09209	0.9
247.10098	2.9
249.11682	1.0
255.03922	1.5
255.09067	1.2
257.10626	5.5
260.04416	0.8
263.09531	1.7
265.11093	12.1
269.41327	0.8
279.03879	1.8
281.10657	3.4
283.12137	14.2
289.11090	3.6
299.11700	2.6
301.13321	7.4
307.12128	13.8
325.09433	1.6
325.13150	14.4
343.14105	5.1
348.14688	1.0
354.74271	0.9
355.14227	1.1
367.14246	4.9
383.13873	1.8
385.15372	1.5
401.14731	1.4
409.15384	3.5
425.15247	1.2
427.16406	90.4
428.16385	1.2
445.17447	12.4
487.18091	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	486.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
56.05035	12.8
56.96531	1.0
57.03400	0.9
61.02898	0.9
62.06055	0.6
67.05462	0.6
67.09742	0.5
69.03436	3.9
69.07028	0.7
70.06582	3.4
70.72367	1.5
72.04484	1.0
72.08105	1.3
73.02907	0.6
74.06078	66.8
74.06465	2.4
74.06659	1.8
75.06403	0.8
79.05448	1.8
81.07056	2.8
84.08106	0.9
85.02888	4.7
86.09663	1.6
91.05476	3.1
93.07042	2.9
95.04957	0.7
95.08558	1.1
97.02854	1.5
98.58984	0.5
98.97533	2.0
105.07037	7.4
107.04934	0.6
107.08546	1.5
108.08066	0.7
109.02807	0.7
112.07556	2.2
114.05520	1.3
116.98584	2.2
117.06985	0.9
119.04961	0.6
119.08531	2.5
121.10107	1.7
124.07529	2.5
126.05465	0.9
127.03841	1.4
129.06961	0.8
131.08562	2.9
133.06512	0.6
134.99622	0.9
137.05934	2.2
138.09094	1.1
143.08476	1.5
145.04955	0.6
145.06409	0.6
145.10153	2.9
146.99590	0.7
147.11702	7.1
149.13223	0.8
151.07471	1.1
152.10606	0.8
155.08517	0.7
157.10089	0.6
158.99559	0.6
159.11581	0.8
163.03876	0.8
168.06503	1.1
170.08119	14.2
171.11725	1.4
173.13260	1.5
177.00722	0.9
199.11119	0.9
217.12155	1.1
220.09911	0.8
232.16765	0.9
238.14285	0.8
278.17471	1.3
280.19116	1.0
306.17026	1.6
307.04849	0.9
324.18033	100.0
325.05875	1.6
325.18304	2.9
486.23355	37.1
487.23660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.5
57.03430	7.9
62.81139	5.0
67.05510	45.4
69.07066	10.1
71.04985	10.7
79.05482	21.2
81.07055	86.5
83.08639	8.3
85.06541	9.3
91.05475	36.7
91.05977	6.2
93.07047	27.9
93.07545	4.8
95.08604	100.0
97.06525	14.1
99.08112	5.5
99.55689	5.3
104.67294	5.3
105.07028	27.1
107.08590	17.1
109.10141	14.0
111.44734	4.9
112.74043	4.9
119.08597	31.3
121.10159	11.0
123.08030	7.0
133.10132	26.7
135.11671	15.4
161.13245	70.4
179.14330	74.3
253.17998	20.2
271.18900	11.1
357.28107	6.7
449.32385	13.6
467.33640	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	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.6
60.70802	4.5
67.05493	21.0
69.07059	15.0
71.05000	6.2
71.59973	7.3
79.05492	19.2
81.07063	43.0
83.08625	8.4
91.05484	15.0
93.07053	39.2
95.04966	8.3
95.08607	80.4
97.06549	6.1
97.10133	7.0
105.07030	37.2
107.08589	60.2
109.06465	7.0
109.10168	28.3
111.69787	4.9
113.05964	8.8
119.07800	7.2
119.08585	100.0
121.06524	6.1
121.10137	40.8
123.11671	6.6
128.06215	7.2
131.08554	22.7
133.10115	45.2
135.08022	9.7
135.11691	20.5
137.05959	5.8
141.07033	8.9
142.07736	5.4
142.50566	5.5
143.08582	13.5
145.10147	27.7
147.08012	7.0
147.11685	29.4
149.05956	5.0
149.09630	5.7
149.13222	14.1
151.07542	11.6
154.07719	6.8
154.76622	5.1
155.08560	8.2
157.10114	20.4
159.11636	23.6
161.09587	14.8
161.13258	12.8
163.14864	23.4
165.09120	10.1
169.10104	24.3
171.11703	16.8
173.13249	18.2
175.07509	7.0
175.11209	8.8
175.14807	36.8
177.16351	43.5
178.46753	6.0
179.08516	6.0
181.08730	6.2
182.07285	15.4
183.11696	9.5
185.05968	7.9
185.09633	14.5
185.13336	11.3
187.14825	20.3
189.12747	11.0
189.16382	21.2
191.14307	6.1
191.17935	11.4
193.15878	33.8
193.17397	5.5
197.09692	23.4
197.13306	5.4
199.14798	7.2
201.12784	8.2
201.16412	8.4
203.06996	11.0
203.14291	9.5
203.17987	39.5
205.12209	7.4
211.14691	6.1
213.12659	6.0
213.16403	10.3
215.18089	6.9
221.13333	6.4
221.15355	6.4
225.09087	65.2
227.14240	7.5
227.17856	5.9
229.15834	6.1
231.13780	7.3
233.15292	7.7
235.17006	6.0
237.14813	7.9
237.57581	5.4
243.10181	72.5
247.08397	5.7
247.16980	15.0
249.14748	9.8
249.18547	12.8
275.20032	7.0
279.21158	5.8
309.25705	17.1
334.50400	4.8
355.26172	13.4
379.78696	5.0
391.29886	6.8
403.29858	11.6
409.30890	10.0
421.31003	42.1
437.30417	18.3
439.31915	46.4
449.17355	24.3
449.30389	5.7
467.31494	30.5
485.32562	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	485.3263
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05507	17.1
55.99572	6.9
56.96577	10.6
57.27894	6.9
67.05499	35.0
69.07065	19.9
69.43941	27.8
69.44376	31.2
79.05499	21.3
81.07053	61.2
87.33974	7.6
91.05485	32.6
93.07032	54.1
95.04977	12.4
95.08611	100.0
95.91501	6.8
97.06541	9.8
98.20769	11.8
105.07039	70.9
107.08591	83.1
109.06509	20.6
109.10169	41.3
115.83482	6.6
117.07016	13.4
119.08586	84.7
121.10149	59.9
123.08088	7.7
123.11752	12.2
129.07011	11.0
131.08563	31.4
133.06432	8.2
133.10133	61.7
135.08040	20.9
135.11696	23.9
137.05992	9.7
142.07753	11.7
143.08577	25.2
145.10133	61.6
147.08069	12.2
147.11760	38.2
149.09633	8.9
149.13274	27.6
151.07568	21.4
151.51021	6.8
153.43153	7.3
156.09355	16.6
157.10092	32.4
159.11681	38.4
161.09612	19.6
161.13280	21.4
163.11209	8.5
163.14830	47.4
169.10091	7.5
170.10918	7.0
171.11691	30.9
173.09575	16.0
173.13295	28.6
175.11179	17.1
175.14815	31.8
177.16423	54.6
183.11638	8.7
185.13286	28.3
187.11188	16.6
187.14827	34.5
189.12737	16.0
189.16400	48.6
191.17911	16.8
197.13339	10.8
199.11221	7.1
199.14812	7.6
201.12665	16.1
201.16406	9.1
203.14352	21.5
203.17995	31.1
205.12263	21.4
211.10855	8.0
211.14664	8.9
213.12785	13.1
215.14308	21.1
215.18044	8.2
217.07449	10.5
217.15945	9.6
219.13811	9.2
227.14432	8.8
229.15909	10.0
231.13820	29.3
233.15445	12.3
245.15471	16.3
247.16985	10.9
249.14909	23.8
261.14972	7.5
274.45651	7.2
275.16544	13.0
279.15955	16.5
293.17548	25.3
296.83801	6.5
323.44678	8.4
369.19278	9.0
373.23492	27.6
391.29858	20.2
403.29950	11.8
409.31058	16.2
419.29562	14.8
421.30951	42.5
437.30829	38.1
439.32098	63.4
449.30371	16.2
457.33249	9.6
467.31735	44.5
485.22183	12.7
485.32935	47.2
489.59753	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	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.03434	5.7
57.07079	25.0
67.05520	5.6
69.07056	3.3
71.08634	16.2
71.24794	2.5
81.07069	7.0
83.08617	5.2
85.10196	8.5
93.06999	1.3
95.08598	8.9
97.10144	2.2
98.98473	20.4
102.97601	1.0
103.07571	1.0
103.57043	0.9
109.10154	4.1
113.31376	1.0
123.11736	1.3
138.61765	1.1
148.99786	1.7
155.01030	11.2
173.02225	2.2
198.11519	0.9
239.23715	2.8
247.05833	2.0
313.27377	100.0
314.27673	1.2
393.23996	1.9
449.26617	4.6
477.96097	1.1
485.25970	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.03432	10.8
57.07072	31.5
67.05492	7.6
69.07063	4.1
71.08630	16.7
71.10750	7.0
81.07052	9.2
83.08629	7.0
85.10163	8.2
89.06039	5.6
93.07037	2.9
95.08623	13.4
97.10163	4.2
98.98483	9.6
104.10738	4.4
109.10150	7.1
121.10167	2.7
121.38873	3.2
133.10094	2.7
155.01044	6.5
261.93585	3.8
313.27353	100.0
314.27731	4.0
325.76898	2.7
344.11365	3.4
378.36578	2.7
472.19952	3.4
485.47855	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	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
57.03434	4.2
57.07077	27.4
67.05517	5.1
69.07056	5.6
71.08622	15.5
71.61082	2.0
71.61574	2.9
75.16172	2.0
80.17539	2.0
81.07049	7.7
83.08625	5.1
85.10178	7.1
89.06023	3.0
91.05442	1.9
93.88031	1.9
95.08615	14.1
97.10181	2.6
98.98461	19.6
100.03174	2.0
105.07001	2.3
109.10128	4.3
123.11631	3.1
155.00999	7.5
157.62802	2.0
173.02196	2.7
185.12225	2.0
229.04507	2.9
239.23683	2.6
241.77310	2.1
313.27359	100.0
314.27737	3.0
449.26483	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.03419	5.5
57.07079	26.7
58.73564	2.3
67.05502	7.0
69.07059	5.9
70.70451	6.8
71.08620	17.9
74.27737	2.4
81.07042	9.5
81.73498	2.1
83.08634	5.9
85.10169	9.6
95.08604	8.8
95.44518	2.5
97.10168	2.6
97.76006	2.4
98.09832	2.2
98.98472	9.9
109.10169	4.8
155.01077	6.1
185.28085	2.6
313.27350	100.0
400.86151	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.5
56.96565	21.4
57.53848	0.9
70.18398	3.7
71.95256	3.2
72.96045	1.6
74.87423	1.0
74.97585	1.0
81.07046	0.9
84.96043	1.5
102.92617	2.4
110.97548	1.3
116.98648	2.0
118.92107	2.3
119.39835	1.2
128.98601	3.8
131.00180	1.5
132.46683	1.2
136.93100	8.6
146.99658	5.5
150.94533	2.0
150.95676	5.8
154.94177	21.4
161.01260	1.2
165.00890	1.0
168.95726	12.6
169.05382	1.1
172.95239	43.7
174.53807	0.9
186.96794	98.3
188.97124	1.0
189.04352	1.7
190.96286	20.9
195.96768	2.7
204.97859	79.6
209.98375	7.9
210.96869	3.7
212.98305	1.3
213.97882	1.5
221.70096	1.1
222.98959	1.5
224.98404	5.2
226.99911	4.3
227.99429	6.0
228.97861	13.5
242.99455	19.3
245.01024	3.2
245.10730	1.8
246.98941	4.6
251.99370	1.3
261.00452	2.4
266.01138	1.2
279.12979	1.2
315.16382	1.7
317.17880	100.0
318.18414	2.4
333.17441	2.8
335.18909	52.2
358.20547	12.2
373.20557	5.7
397.14114	1.3
411.16010	10.3
421.79684	1.1
425.17590	12.9
429.17288	1.4
453.17114	24.6
467.18781	14.1
470.19199	1.1
471.18225	56.4
476.41849	1.1
485.19781	29.6
494.19702	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	485.2001
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
50.48076	0.4
67.05495	0.7
69.03411	0.6
71.25539	1.0
77.00898	1.2
79.05470	0.4
81.07064	0.9
82.28223	0.4
85.01064	0.4
85.02871	0.4
92.53497	0.5
95.01936	1.5
95.08588	1.1
98.97616	0.7
107.08605	0.7
109.02882	0.4
112.08358	0.4
119.01904	0.9
119.08611	0.6
131.01880	0.6
135.11700	0.5
159.11621	0.6
161.02962	1.3
185.04305	0.5
227.05215	0.5
237.13260	6.2
237.14751	6.0
237.18497	1.2
243.14401	1.1
255.14417	17.6
260.14938	0.8
271.04202	3.2
273.15393	3.5
278.16064	0.9
279.14413	2.3
293.16016	0.5
295.97183	0.5
297.15424	2.6
309.15503	0.7
316.64822	0.5
321.15384	1.1
381.18973	0.8
399.19403	8.6
441.20911	47.0
442.21106	1.0
443.71948	0.4
449.62936	0.4
485.19931	100.0
486.20203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.8
70.03551	2.2
70.03944	3.5
85.27459	1.1
98.97570	6.1
102.22950	1.3
116.98624	9.6
134.99641	8.5
153.00761	1.8
174.97665	2.8
177.01015	2.3
192.98718	3.8
193.98901	1.3
194.98526	1.6
216.98729	3.2
219.02011	2.7
232.96724	4.1
234.96529	6.4
234.99809	6.6
236.99622	4.9
250.97743	7.5
251.97919	3.9
252.97522	14.1
256.96701	4.9
257.96964	1.4
258.96729	8.1
258.99619	8.5
260.00165	2.4
260.99939	6.1
261.02902	5.8
262.03146	1.2
264.99030	1.8
265.79532	1.3
274.97723	28.9
275.97870	9.2
276.97580	40.6
277.00949	15.0
277.97876	1.7
278.01221	4.0
279.00842	11.2
280.00824	1.6
282.97162	1.9
282.99948	9.3
284.00104	5.2
284.99792	11.7
292.98792	9.6
293.99057	4.0
294.98636	12.5
298.97702	17.8
299.97806	7.8
300.97571	31.2
301.01062	28.0
302.01147	8.5
303.00821	27.9
304.01050	3.4
305.00516	1.5
316.98788	41.9
317.98932	18.7
318.98642	79.5
319.98682	3.6
321.02078	2.2
335.00079	1.9
335.99933	1.9
336.99661	4.4
342.00171	2.9
359.00095	2.4
360.99820	7.1
376.97815	2.3
382.96527	1.3
402.01410	2.2
403.00903	8.4
404.01065	2.2
417.98965	2.0
418.99039	13.2
424.97391	2.4
425.01871	1.8
426.01889	1.6
427.01154	5.4
442.00000	2.0
442.98181	42.9
443.98752	2.5
445.02145	21.9
446.01828	3.8
460.00235	5.4
460.99829	100.0
461.99878	5.6
484.01797	6.3
485.01599	15.4
503.02890	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.9
56.76490	0.8
58.02930	0.9
58.06596	5.3
60.04510	2.2
61.02920	1.0
67.05503	1.1
68.05031	1.4
69.03426	3.7
69.05178	0.7
69.07085	0.7
70.06585	2.4
71.14786	1.7
71.15128	1.1
75.42016	0.7
78.06471	0.7
79.05495	2.8
81.03419	1.7
81.07055	10.6
84.04504	3.4
84.08137	0.8
85.02898	6.0
86.02445	1.2
86.06060	5.2
88.03987	1.3
89.83888	0.8
91.05476	4.9
93.07041	3.2
94.06532	0.9
95.08596	1.2
96.04504	2.2
97.02908	2.2
105.07030	7.2
107.08600	2.7
108.08104	1.3
109.02866	2.3
109.06528	0.8
114.05513	2.9
117.07056	3.7
119.08591	3.4
120.08098	0.9
121.06495	0.8
121.10155	0.8
121.18391	0.7
122.06076	1.0
125.55591	0.8
127.03912	1.1
128.06213	1.2
129.07025	4.5
130.05016	9.0
131.08583	5.0
132.06546	1.8
133.10121	1.5
136.07637	0.9
138.05521	0.9
141.06906	1.0
142.07755	1.6
143.08563	8.5
145.10123	9.0
147.11699	5.4
153.06857	1.0
154.07773	1.6
155.08591	2.1
156.09293	1.2
157.06618	1.0
157.10132	2.9
158.09630	0.8
159.10449	0.8
159.11725	1.4
161.09653	1.0
162.12810	1.0
169.10152	4.4
170.07326	0.8
171.11713	8.5
172.11192	0.8
173.09689	1.0
173.13310	2.3
175.07533	1.1
175.11208	1.8
181.10149	1.0
185.09628	2.6
187.11212	1.5
188.14320	1.3
189.12724	0.9
197.04488	4.0
197.09621	1.6
199.11166	3.5
200.14291	1.1
202.15991	0.9
212.14259	1.1
213.09160	2.4
214.15884	2.4
215.10661	3.4
216.13753	1.0
217.12274	7.1
224.09267	1.1
228.13834	1.2
230.15404	1.8
231.10143	5.0
232.17024	2.1
233.11774	1.0
234.14871	1.6
240.13898	2.5
241.08698	1.0
242.10109	1.0
242.15376	1.6
245.11745	1.6
246.14786	0.9
256.13242	1.0
258.14905	4.8
259.09726	2.5
260.16486	6.0
261.11215	1.0
274.14478	1.2
276.15869	8.3
277.10703	14.0
278.14011	0.9
278.17480	2.8
279.12302	2.5
286.14319	1.2
292.15424	1.5
304.15427	13.7
320.15027	1.5
321.15469	1.3
322.16489	100.0
323.16983	1.2
484.21817	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	483.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.7
55.05513	15.7
63.84369	3.0
65.03947	3.5
67.05508	30.8
69.07056	16.2
69.46765	15.2
69.47208	13.8
77.74545	3.7
79.05494	23.4
79.32155	2.9
81.07057	63.3
91.05477	30.7
93.07048	59.4
95.04975	7.1
95.08606	100.0
97.10168	6.5
105.07027	69.6
107.08588	60.8
109.06492	8.0
109.10152	43.5
111.08084	25.9
117.07039	12.4
119.08574	63.4
119.09363	5.8
121.10139	46.6
123.11705	15.6
125.05978	4.0
129.07025	7.6
131.08556	50.4
133.10139	50.3
135.11714	24.0
137.06047	3.7
137.09688	4.7
137.13283	3.7
139.11266	4.1
142.07831	3.4
143.08568	20.8
145.10118	59.8
147.11697	43.6
149.05978	10.7
149.07114	3.3
149.13251	34.4
151.07526	7.5
151.11180	3.2
155.08519	9.8
156.09346	12.3
157.10133	26.3
158.10825	4.4
159.11700	50.8
161.13255	39.5
163.07574	5.5
163.14784	7.1
165.12698	3.4
169.10130	7.6
171.11681	43.5
173.13252	31.4
175.07562	4.6
175.14792	17.0
177.09142	6.8
177.16353	14.7
181.10159	3.9
183.11678	9.7
185.13240	20.6
187.11063	4.0
187.14861	23.4
189.09090	5.4
189.16371	23.6
191.10670	11.2
193.12309	4.1
197.13255	12.4
199.11195	6.3
199.14827	14.0
201.12738	7.3
201.16327	19.9
203.10667	8.2
203.14401	4.7
203.18022	6.3
205.12268	7.3
205.15897	9.4
207.17453	7.9
211.14859	7.1
213.12709	5.5
213.16449	7.5
215.10764	4.5
215.14365	8.7
215.17970	8.0
217.12253	12.7
217.15807	6.2
217.19576	3.6
219.13748	21.4
219.17480	11.0
223.14879	3.8
227.17928	6.1
229.12158	4.3
229.19624	3.8
231.13907	15.9
233.15385	13.5
239.17940	6.0
243.13892	5.3
245.15373	5.1
249.11237	5.1
263.12787	5.8
271.16931	5.6
277.14252	14.7
289.14420	15.4
301.14249	3.2
315.15955	9.5
317.17508	7.8
327.15994	3.9
329.17545	7.2
343.19080	6.1
357.20425	3.9
393.31473	5.0
419.29480	5.0
421.31183	19.7
425.26923	14.6
437.30243	4.3
439.32358	5.0
453.30035	12.9
465.30011	32.8
483.31006	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	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96883	2.3
53.32629	2.2
55.05508	20.3
57.03426	7.8
57.07067	9.3
67.05488	4.1
69.07066	26.4
69.09313	2.4
69.94785	10.5
71.08624	5.8
79.05463	4.0
81.07063	4.5
83.08620	17.9
89.60372	2.5
93.07027	3.9
94.39612	2.7
95.08614	2.6
97.10148	8.4
98.98467	12.9
109.10193	3.1
111.05766	2.1
121.10169	3.4
132.94064	2.2
135.11655	2.6
141.79353	2.3
144.49335	2.4
155.01015	10.0
159.25836	2.3
185.69046	2.5
236.62299	2.6
311.25806	100.0
336.73813	2.3
349.13290	2.3
419.19995	2.6
447.25266	2.6
483.36081	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
53.46840	3.1
55.05513	17.5
57.07067	5.6
59.53821	2.9
65.03945	3.9
67.05505	30.5
67.09901	2.8
69.07068	16.1
71.33469	5.9
72.24985	3.1
79.05500	28.5
81.03410	4.0
81.06593	3.4
81.07065	66.8
83.08625	7.4
91.05482	29.0
93.07050	54.8
95.05000	7.3
95.08614	100.0
97.06539	4.2
98.84875	3.8
101.41399	3.1
105.07032	75.0
107.08600	72.4
107.09293	5.2
109.06512	9.7
109.10159	46.2
111.08086	35.0
117.07057	15.0
119.08582	51.8
121.10150	47.3
123.11713	20.4
129.06979	8.8
130.28775	2.9
131.08563	39.9
133.10126	44.6
135.11728	23.1
137.06013	4.1
137.13197	3.5
142.07805	4.1
143.08566	25.0
145.10121	53.4
147.08124	4.9
147.11702	42.2
149.06000	12.6
149.13255	31.6
151.07591	3.8
155.08606	6.8
156.09377	12.6
157.10136	31.9
158.10870	4.1
159.11696	48.5
159.13145	3.6
159.13411	2.8
161.13264	38.6
163.07578	6.8
163.14824	14.2
165.09013	4.6
169.10126	10.7
171.08047	3.8
171.11685	30.8
173.13261	35.6
175.07591	4.7
175.14804	19.5
177.09161	7.0
177.16415	10.6
181.10228	3.7
183.11685	13.2
184.77667	3.8
185.13258	23.7
187.14815	22.8
189.12682	5.8
189.16396	24.6
189.17964	4.9
191.10687	9.0
191.17912	5.3
193.12233	3.9
195.11780	5.1
197.13303	8.4
199.14793	16.5
201.12747	7.9
201.16353	20.2
203.10701	4.8
203.14365	6.6
205.12259	6.3
205.15977	7.2
207.17503	3.4
211.14777	4.0
213.12796	6.0
213.16335	5.2
215.18008	5.0
217.12254	14.9
217.15883	7.1
219.13803	23.8
219.17436	12.3
222.85838	3.3
225.16328	3.9
227.17955	5.1
229.12239	3.8
229.19525	4.0
231.13857	18.8
233.15413	14.2
235.09711	4.0
243.13814	6.6
243.17615	3.7
245.15431	9.2
259.16925	4.6
263.12778	4.4
265.14429	3.5
267.21075	4.0
271.16907	4.7
277.14401	11.2
289.14371	14.8
303.15881	6.3
315.15955	5.9
317.17523	10.9
325.42566	3.8
329.17517	5.9
331.24988	3.3
343.19089	6.0
375.30606	4.3
393.31686	6.5
419.29672	6.5
421.31137	16.6
423.25113	4.7
425.26868	14.6
437.30695	4.1
439.32129	6.7
453.29956	8.8
465.29907	35.5
483.31091	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82493	3.8
53.03906	3.6
55.05485	3.5
67.05485	6.1
69.03404	10.0
69.07059	4.0
70.23244	13.0
79.05483	4.2
80.00624	3.1
80.43058	2.9
81.07050	13.3
85.02901	18.8
87.00818	5.0
91.05473	11.5
93.07037	12.6
95.04972	4.8
95.08589	10.8
97.02863	8.2
97.06503	5.1
98.20856	4.1
105.07010	12.7
107.08581	28.6
109.02825	4.5
109.10135	6.6
111.08049	9.5
119.08585	17.8
121.10133	8.6
125.09622	20.8
127.03935	7.6
131.08641	4.2
133.10147	9.0
135.08028	6.2
135.11671	6.6
141.06935	3.6
142.07751	6.2
143.08522	5.4
145.10121	4.1
147.08047	4.9
147.11678	6.7
151.05875	3.2
157.10118	11.4
157.11334	2.8
159.11632	3.5
161.09578	8.9
175.11218	6.2
189.16406	14.4
199.14841	9.2
217.15849	64.4
235.14676	6.3
235.16930	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	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	19.9
57.03437	6.4
57.07076	12.7
61.35276	2.6
64.62369	2.9
67.05502	6.2
67.12289	2.5
69.07071	26.3
69.62392	2.5
71.08634	6.3
71.51867	5.8
81.07056	7.2
83.08622	21.1
85.10181	3.2
91.05487	4.1
93.07052	3.5
95.08586	6.8
97.06508	3.8
97.10167	14.6
98.98466	13.9
111.11700	3.5
113.93008	2.9
121.10142	4.0
130.05795	3.2
130.70795	2.8
147.20622	3.0
155.01057	8.4
173.94908	2.9
179.01781	3.2
186.31537	2.9
235.49231	2.7
308.53445	2.9
311.25781	100.0
341.03760	2.8
447.25079	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01858	1.5
55.05503	1.8
57.03442	1.6
60.93052	0.3
61.02913	0.9
65.03907	0.5
67.05501	3.5
68.99793	0.8
69.03069	0.6
69.03425	8.1
69.07053	1.5
69.70894	2.4
70.00727	0.3
71.04979	1.1
73.02889	1.1
75.46641	0.3
77.03892	0.4
79.05485	3.7
81.03417	5.8
81.07056	5.6
83.04960	1.5
83.08574	0.3
85.02901	13.5
85.03420	0.6
87.00822	5.2
91.03944	0.4
91.05475	3.9
93.06463	0.5
93.07037	6.6
95.04958	1.4
95.08598	6.8
97.02900	3.8
97.06531	1.7
97.10221	0.4
99.04447	2.9
105.01863	3.1
105.07023	8.8
107.08588	9.0
109.02875	5.2
109.06508	4.7
109.10126	2.9
111.08054	1.6
115.05453	0.5
117.01807	0.6
117.06995	1.2
119.08569	7.3
120.08054	0.3
121.06502	2.6
121.10143	3.8
123.08060	5.8
125.09583	0.5
127.03915	9.1
128.06192	0.7
129.01817	0.6
129.06998	1.4
131.08560	2.7
133.06468	0.7
133.10124	8.1
135.08044	3.1
135.11679	0.8
137.09596	1.0
142.07758	1.1
143.08556	3.1
144.09317	0.5
145.04947	3.0
145.10097	3.5
147.02811	0.5
147.08011	2.1
147.11676	3.0
149.09581	1.2
151.11115	0.5
157.10136	3.6
159.02875	2.0
159.11684	3.0
161.08244	0.6
161.09605	6.4
161.13170	1.7
162.10336	0.9
163.11157	2.4
171.11697	1.0
173.13173	1.8
175.11179	3.5
175.14752	2.2
177.12746	4.0
189.04004	0.4
189.12656	0.7
189.16365	1.6
193.12375	0.3
199.14778	2.3
217.15871	13.2
231.04979	1.5
235.16905	100.0
236.17152	1.9
273.11121	0.5
307.17148	0.4
308.00381	0.3
393.89774	0.4
468.69534	0.3
483.22348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.16440	0.7
56.35498	0.7
56.96576	1.2
63.00968	0.7
64.61970	0.7
64.77061	0.7
67.05495	1.7
69.07054	1.1
71.60013	1.2
79.05492	1.1
81.07047	1.9
85.02895	1.0
90.71246	0.7
91.05505	1.1
93.07023	1.9
95.05000	0.9
95.08564	1.9
97.06535	1.6
104.83521	0.7
105.07023	2.1
107.08578	1.9
109.06503	0.7
109.10146	2.0
114.80264	0.7
119.08610	1.2
121.10166	1.0
127.03866	1.2
143.08492	0.8
145.10071	1.2
147.07915	0.7
147.11659	1.0
155.14125	0.7
156.83516	0.7
159.11711	1.7
173.13432	0.8
175.11198	0.9
191.86493	0.7
217.15910	1.2
221.52380	0.7
227.05235	0.8
235.16975	3.2
245.06339	0.9
265.57587	0.8
289.05338	2.2
397.21762	2.3
421.22003	1.1
439.23007	8.8
465.20822	2.5
478.12137	0.8
483.22009	100.0
484.22336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41256	0.7
53.03937	1.1
57.03419	1.5
58.85796	0.7
61.02919	1.6
69.03427	5.9
69.50508	4.8
72.12729	0.7
73.02891	1.2
81.03402	1.6
85.02895	10.4
94.06585	1.6
97.02908	5.2
98.20750	1.6
102.62325	0.7
108.08114	1.1
109.02888	1.7
120.08098	0.9
127.03915	2.4
129.73122	0.7
136.07561	1.2
145.07695	0.8
146.08418	0.9
148.07574	0.9
148.84402	0.7
155.06065	0.7
160.40808	0.7
173.07082	1.8
174.07820	1.4
180.08136	1.0
181.08881	1.4
182.09694	0.9
185.06973	1.3
186.09227	1.3
187.52873	0.8
189.10196	4.0
194.09636	1.6
195.09161	1.7
196.09898	7.9
197.10680	2.4
202.10924	1.7
203.11862	1.9
206.08386	21.0
209.07016	2.1
209.10675	1.5
210.11459	1.8
211.08679	1.3
211.12309	10.8
215.11905	0.8
220.09947	3.0
221.10692	10.0
223.08673	4.7
224.09416	8.4
225.10197	1.7
226.10934	1.2
227.08109	4.1
229.13286	1.3
237.10341	3.6
238.11011	8.5
239.08202	1.8
239.09171	1.2
239.11780	23.1
241.09784	2.2
244.12071	3.6
247.14386	0.8
252.08893	1.3
254.10484	1.7
257.12820	7.7
258.11298	1.0
262.13144	1.0
267.11282	57.5
268.11591	1.5
271.10660	1.0
272.11554	5.1
275.13928	2.8
285.12323	62.3
286.12546	1.2
290.12589	3.8
303.13382	100.0
304.13742	1.7
321.10843	1.6
321.14423	21.9
483.19553	2.9
508.48959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62391	0.4
57.03399	0.6
61.02883	1.5
69.03432	4.1
70.06576	1.1
79.05443	0.6
81.03367	1.4
85.02438	0.6
85.02912	8.5
87.04444	0.5
93.07068	0.9
96.04493	0.4
97.02892	2.9
98.20730	1.5
98.97541	0.5
105.07014	1.6
107.08627	0.7
109.02809	1.1
120.08102	1.3
127.03854	1.5
133.06454	1.8
134.99620	0.7
145.04945	0.9
161.05994	3.2
169.08778	0.8
182.08405	0.7
183.09175	0.8
189.02614	0.5
189.12718	0.5
193.08533	1.7
195.09233	1.6
196.09940	8.6
197.10754	0.7
211.08653	2.0
211.12305	3.5
212.10925	7.5
213.10260	0.9
223.08727	1.4
224.09447	6.4
226.11044	0.8
232.06998	1.1
233.07681	1.3
234.08759	4.7
235.09486	4.6
239.11792	19.5
241.13376	6.2
253.09956	0.6
254.10503	0.9
257.12784	1.2
267.11298	43.7
268.11539	0.9
271.04367	0.8
271.10748	0.8
272.11642	0.5
273.12180	0.7
285.12341	100.0
286.12579	1.0
287.13925	1.6
303.13397	30.4
321.14499	0.8
336.63208	0.5
387.51193	0.6
397.14291	2.3
439.15567	17.1
440.16071	0.7
446.12830	0.6
483.14539	53.4
484.15063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73565	1.1
70.73924	1.0
85.02887	0.8
127.00043	0.5
130.51643	0.4
185.04231	0.9
189.05261	1.1
205.02234	0.5
219.06346	1.9
227.05357	1.2
234.08615	10.3
235.09390	11.2
240.51199	0.5
252.09543	0.5
271.04230	3.4
313.11435	0.7
382.11603	0.6
397.14621	5.5
439.15732	29.4
440.16232	0.9
483.14734	100.0
484.15244	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.0
56.96568	8.2
57.03432	6.6
59.99042	3.2
61.02924	4.7
67.05503	10.1
69.03421	8.0
69.07067	25.8
70.06593	5.5
70.85531	4.2
70.85873	7.4
71.04968	4.2
79.05482	19.6
81.03404	9.2
81.07069	16.4
82.91827	3.5
83.05013	5.4
83.08611	3.5
85.02903	13.5
85.06536	6.4
86.09707	3.7
87.00812	3.8
88.93439	3.0
91.05472	10.1
93.07029	7.6
95.04974	6.7
95.08610	8.7
97.02888	7.8
97.06531	91.3
98.97535	4.0
99.04465	4.7
103.90831	3.0
105.07007	11.4
107.04976	4.2
107.08570	4.5
109.02873	6.2
109.10178	4.2
111.04439	3.7
116.98558	3.8
117.03383	4.4
117.07022	3.6
119.08573	7.3
120.08055	4.7
121.10162	4.7
127.03898	10.7
129.09073	3.4
131.08601	6.6
133.02843	3.7
133.10100	10.2
135.04417	4.9
141.06998	3.6
145.02820	3.8
145.04933	4.3
145.10144	7.6
147.11658	4.7
159.04425	8.1
159.11778	4.3
161.02341	26.8
161.09639	4.1
163.03894	50.9
173.02332	63.9
173.83138	3.0
185.05983	6.7
187.07552	3.6
191.03423	10.5
215.07025	94.3
217.12157	4.0
217.15840	6.4
233.08017	4.3
235.16878	8.0
241.08638	16.4
257.10373	4.2
259.09622	31.2
273.11218	17.8
291.05399	4.0
291.12244	100.0
301.09570	11.1
397.17929	7.4
439.19324	29.0
451.18741	3.3
481.85141	3.8
483.18222	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	483.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
69.03435	0.5
70.06588	1.3
71.59273	0.5
76.30745	0.4
81.35707	0.4
84.08157	0.6
85.02891	0.9
85.06473	0.4
86.09691	0.9
90.23193	0.4
92.98048	0.5
97.02860	0.6
110.07161	0.6
114.54579	0.5
116.98604	0.4
117.27737	0.4
118.98114	0.5
120.08144	0.6
127.03875	0.5
147.04417	0.8
147.61113	0.5
185.04356	0.5
189.05255	0.7
203.98335	0.5
219.06285	3.0
221.00235	0.5
227.05301	1.4
234.08618	10.7
235.09383	10.9
271.04211	2.4
285.12497	0.6
303.13333	0.7
312.17010	0.5
313.11386	1.3
342.42810	0.5
344.54831	0.5
397.14600	4.7
439.15768	28.9
483.14743	100.0
484.14993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
57.07078	1.7
58.06590	1.0
60.08163	12.2
71.07370	3.7
71.08619	0.9
72.59581	0.3
75.04493	0.9
85.10188	0.4
86.09705	24.3
89.06007	0.7
90.01437	0.3
93.79551	0.3
98.98450	2.9
104.10742	100.0
105.11055	0.6
105.50296	0.3
125.00005	14.9
133.08577	0.4
163.17699	0.3
165.27246	0.3
184.07344	15.5
227.20056	1.2
231.78391	0.3
283.17242	0.3
357.66901	0.3
423.28735	0.3
482.36072	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	483.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04665	0.5
55.49946	0.5
55.98224	0.5
56.96546	1.2
63.51984	0.5
67.50901	0.5
69.68507	3.1
69.68925	0.7
98.21407	0.9
98.97572	4.1
115.50066	0.5
116.98613	5.4
134.99669	5.6
150.97635	0.8
153.00687	1.3
156.38347	0.5
160.93248	0.6
174.97716	2.4
177.00935	0.8
182.85349	0.6
190.95589	0.8
192.98718	5.4
208.96652	1.5
214.95470	1.1
216.98701	2.1
219.01924	0.6
232.96675	10.3
234.99863	5.6
236.99692	0.6
238.95576	1.1
240.98752	0.7
250.97763	17.6
251.97858	1.1
253.00870	0.9
256.96671	9.5
258.99939	7.7
260.00116	1.4
260.99960	0.9
261.02908	0.7
268.98709	1.1
274.97733	51.6
275.97913	2.0
276.97906	1.0
277.00949	11.8
278.01172	1.9
279.00897	2.2
280.96899	2.2
282.99976	12.0
284.00085	1.8
284.99844	2.1
285.99774	0.6
292.95465	0.9
292.98792	17.0
294.98929	0.8
297.99292	0.7
298.97717	40.7
299.97913	1.4
301.01031	30.6
302.01086	4.2
303.00821	4.1
304.00967	0.9
316.98792	100.0
317.99048	4.6
318.98807	1.2
319.02200	1.4
332.96664	1.1
334.99850	5.1
340.00485	3.7
340.98926	0.8
356.96994	0.7
358.99921	7.2
360.00250	1.0
360.99991	0.7
374.97922	3.0
377.01044	0.8
380.96735	1.0
382.99884	0.7
391.11801	0.5
398.98138	2.5
401.01285	4.7
402.01352	2.6
403.00958	0.9
407.00439	0.9
416.98843	9.7
417.99240	0.8
422.97720	5.0
425.01007	3.8
426.00961	1.2
434.99750	0.8
440.01016	0.7
440.98831	37.9
441.99097	1.9
443.02246	12.0
444.02859	2.4
445.02136	1.9
446.01935	0.6
458.99908	79.7
460.00134	4.4
461.00034	1.5
477.00967	1.7
482.01465	4.7
483.01358	6.7
501.03229	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05033	1.2
57.03426	0.3
57.07067	3.3
58.06610	1.0
59.07369	0.4
59.48049	0.3
60.08163	17.0
67.05492	1.0
68.98745	0.3
69.07077	1.1
71.07372	5.6
71.08626	2.5
72.35138	0.3
74.34486	0.3
76.14081	0.3
81.07047	0.9
83.08627	0.5
85.10172	1.2
86.09703	49.8
87.10066	0.3
95.08607	1.3
97.10221	0.3
98.98449	3.5
104.10741	100.0
105.11079	0.7
109.10150	0.4
125.00000	26.4
131.04962	0.9
132.05365	0.3
160.00471	0.3
163.01553	0.6
184.07333	99.7
185.07704	0.9
191.93022	0.3
217.14363	0.3
258.10950	0.8
299.25894	1.9
461.51266	0.3
464.31342	9.2
482.32419	24.0
483.32858	0.7
491.25293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05510	3.1
57.03440	5.0
57.07080	23.1
62.06085	21.3
67.05495	5.6
69.07064	5.5
69.69104	12.2
71.08630	21.3
80.94851	2.3
81.05993	1.6
81.07053	7.5
83.08613	4.5
85.10154	8.9
89.06036	7.3
95.08634	9.5
97.10213	2.2
98.20717	2.1
98.98456	4.8
109.10159	4.5
111.11764	1.7
114.59371	1.9
133.08612	3.2
155.01038	7.8
177.11154	1.8
216.06364	2.8
226.80215	1.7
229.80478	1.9
310.31055	27.9
341.30496	100.0
421.27170	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62935	5.4
53.34485	5.4
55.01883	6.6
55.05507	13.3
56.96574	6.8
57.07079	8.0
59.05021	7.4
59.68888	5.0
61.27739	6.1
67.05483	6.1
69.03435	18.1
69.07073	54.8
69.31381	5.7
71.04996	11.4
71.08644	6.6
77.02997	6.1
79.05473	6.9
80.44908	5.7
81.03425	12.2
81.07072	12.4
84.23323	5.9
85.02895	49.5
85.10203	7.2
85.87136	5.7
87.00832	21.4
89.06033	24.6
90.38508	6.5
91.05460	5.7
95.08634	5.9
97.02912	27.0
98.21601	13.0
99.04493	7.5
105.01866	29.6
105.07045	6.1
109.02895	13.3
109.10088	5.9
111.11723	74.9
116.98674	6.5
119.08601	8.9
127.03898	38.7
129.12750	100.0
131.70401	5.8
133.10143	6.8
137.05980	8.5
145.04964	15.5
154.14540	6.4
159.02986	6.4
161.01176	7.2
177.00679	5.9
189.00652	6.5
199.16954	16.0
229.60144	6.1
231.05074	7.5
481.08835	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.01873	4.0
55.05517	5.4
57.03431	2.9
57.07075	12.6
59.04992	2.6
61.02918	3.9
69.03423	14.3
69.06722	3.3
69.07066	50.3
70.03727	8.4
70.04137	4.2
71.04980	6.0
71.08617	9.5
73.02912	2.5
73.06557	12.2
81.03414	16.6
83.08635	2.6
85.02424	3.8
85.02905	50.0
87.00827	24.5
89.06023	26.7
95.87921	2.2
97.02895	25.6
99.04438	5.9
105.01862	28.2
109.02869	17.9
111.11716	75.0
112.33425	2.2
114.06995	2.5
119.20123	2.2
127.03915	40.1
129.12753	100.0
130.05089	2.5
130.06256	2.3
145.04968	17.6
159.02870	9.2
199.16924	17.2
200.90701	2.6
217.17944	10.9
231.04996	8.8
249.05997	3.5
271.63647	2.6
309.12183	2.5
505.09521	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26858	1.3
53.03942	1.6
53.05929	1.6
55.01862	1.5
55.05506	7.5
56.96557	1.9
57.03427	6.2
61.02914	2.6
67.05503	11.1
69.03426	4.9
69.07069	3.9
70.01667	1.2
70.06586	3.2
71.04996	3.3
73.02891	1.6
79.05495	10.6
81.03418	45.3
81.07053	13.3
83.04987	9.6
83.08620	17.5
84.04478	1.6
85.02901	17.9
85.06548	2.4
86.09704	3.6
91.05485	13.1
93.07044	11.7
95.04970	15.7
95.08593	5.6
97.02881	6.3
97.06537	2.4
98.21514	2.8
99.04449	1.9
105.07018	10.1
107.04929	4.7
107.08581	5.7
109.10120	1.9
110.73006	1.6
111.08096	9.8
119.08598	11.9
119.30458	1.6
121.06519	2.5
121.10136	6.6
123.08043	1.5
123.11697	1.4
125.09654	1.3
127.03894	1.9
129.07016	6.9
131.08524	7.0
133.06520	2.7
133.10123	7.5
137.09633	2.7
145.10130	1.7
147.08041	3.3
147.11691	10.4
149.09607	4.6
151.11139	1.7
153.12738	4.7
157.10126	10.6
163.11174	1.5
165.12720	2.9
168.30779	1.3
175.11192	9.0
193.12257	47.4
193.51361	1.4
211.13295	45.8
267.15933	20.3
285.16962	100.0
286.17331	2.1
309.21100	1.6
381.71732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54051	1.7
53.03939	2.3
55.01858	2.6
55.05500	6.3
56.96553	1.9
57.03426	5.7
61.02916	4.3
65.25924	1.8
67.05502	12.0
69.03413	4.9
69.07058	3.1
69.36301	18.5
70.06575	4.0
71.04980	4.3
79.05473	8.7
81.03413	34.6
81.07057	14.4
83.04964	8.8
83.08612	13.5
84.08130	2.3
85.02901	19.3
86.09683	2.4
91.03905	2.4
91.05476	17.7
93.07057	10.2
95.04972	10.8
95.08611	5.7
97.02866	5.1
97.06514	3.5
97.10164	2.5
99.04448	2.6
105.07037	12.8
107.04914	3.2
107.08585	4.3
109.06494	3.7
109.10159	1.9
111.04406	2.1
111.08073	6.3
113.06027	2.3
116.98640	2.0
119.08569	12.4
120.08114	7.0
121.10136	6.6
129.06961	5.5
131.08531	5.7
133.10112	6.6
137.05901	1.8
137.39281	1.8
145.10089	2.5
147.08037	2.0
147.11664	9.7
149.09576	5.2
157.10098	8.0
165.12717	3.0
170.08385	1.8
170.99850	1.9
175.11166	6.8
177.00641	2.1
193.12248	28.1
211.13287	28.4
225.08168	2.5
238.23569	2.0
265.70636	1.9
267.15955	8.4
285.16956	100.0
286.17288	3.2
303.13556	2.2
447.21725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69952	0.7
55.01878	0.9
55.34852	0.7
55.80587	0.7
55.93528	7.5
56.94302	1.3
56.96554	1.1
67.05509	2.1
69.26373	5.9
69.26798	2.9
70.95860	2.3
71.92995	2.3
71.94109	0.8
71.98585	0.7
72.93784	6.7
77.77991	0.8
79.05513	1.5
81.07068	1.9
88.96873	1.4
90.94825	5.6
91.05461	2.4
93.07039	1.6
105.07055	2.7
108.74684	1.0
108.95866	2.6
111.37595	0.7
113.96365	1.2
113.97652	1.3
125.96107	1.3
128.96346	1.5
131.39029	0.7
131.86134	0.9
131.98689	2.9
134.97380	1.1
138.98412	0.8
144.99443	1.6
146.97426	1.4
148.98947	1.4
150.98392	1.0
151.02042	2.9
151.97664	2.7
155.98755	0.9
162.96902	1.1
163.02011	1.0
164.99911	1.9
165.03587	2.5
165.97052	0.9
166.97853	1.3
168.99486	1.2
171.68938	0.8
172.98813	1.0
179.01529	1.2
179.05177	1.1
183.98151	2.0
191.04033	0.9
199.00620	1.0
201.02036	1.2
201.03630	6.4
203.05174	1.8
205.06619	1.0
213.02237	1.2
227.03691	1.6
238.06538	1.6
245.04724	2.3
247.04230	1.3
249.05740	1.4
250.07466	2.4
251.07283	23.9
255.06702	1.3
256.07465	4.5
257.08350	4.7
267.06689	4.1
268.08670	11.1
269.08337	100.0
270.05688	1.2
270.09033	2.1
271.12280	0.9
279.09592	0.9
286.09833	4.2
287.09375	27.8
292.09952	3.7
309.11337	1.2
310.10947	11.8
434.21030	1.9
452.22137	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
55.05500	1.4
57.53796	0.6
66.63172	0.6
70.48913	0.5
70.57011	2.1
71.07373	0.7
71.74295	0.5
72.12354	0.6
73.98268	0.5
75.57370	0.6
81.07098	0.6
86.09705	36.3
95.04987	0.9
98.20832	0.7
103.05463	20.4
104.05853	0.6
122.08698	0.6
131.04926	100.0
146.02380	0.8
216.13824	22.0
244.13327	36.1
344.18469	2.2
351.19214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24488	2.9
53.03937	3.7
55.01863	5.1
55.05499	12.9
57.03426	4.9
60.40665	2.8
64.53870	3.3
67.05507	21.7
68.81186	3.1
69.03425	18.9
69.07055	9.4
69.34029	26.4
71.04977	6.8
78.35005	3.0
79.05485	13.5
81.03030	2.7
81.03419	25.8
81.07055	28.4
83.04979	6.1
83.08572	3.9
84.28185	2.5
85.02895	19.6
85.06573	3.7
87.00823	2.8
91.05479	12.4
93.07023	10.4
95.04980	6.9
95.08620	14.8
97.02876	18.8
97.06523	7.3
98.20684	5.2
99.04442	5.8
103.05458	10.7
105.01878	3.6
105.07028	10.3
107.04907	5.4
107.08595	7.6
109.02921	5.9
109.10175	7.9
111.04428	3.5
115.03909	3.2
115.05464	5.7
117.07014	9.9
119.08572	10.6
121.10121	7.5
123.03558	5.3
123.04432	100.0
123.11743	3.5
125.06869	2.7
127.03917	18.5
128.06178	2.9
129.07005	11.5
131.04926	26.5
131.08548	8.2
133.06470	8.3
133.10088	7.6
135.11710	6.0
137.05957	10.8
141.07010	3.7
143.04929	5.0
143.08531	6.0
145.06487	19.5
145.10086	4.7
147.04430	5.9
147.08028	4.5
147.11707	3.4
149.05968	56.9
150.22977	3.0
157.06479	22.5
159.08057	8.1
159.11674	7.1
160.05287	3.7
161.06017	23.5
163.07552	31.7
169.06465	3.4
171.08043	9.8
173.05991	38.6
173.09717	5.1
175.07545	23.9
177.09102	6.5
181.06531	4.0
182.85161	3.2
183.08025	7.4
185.06117	2.9
185.09663	6.2
187.07539	17.7
189.09105	11.4
197.09505	4.8
199.07523	8.7
201.09085	8.7
209.09746	3.2
213.09128	7.8
213.14679	3.8
225.09195	3.1
233.15358	8.4
237.09058	3.4
253.12276	4.8
269.10773	4.1
283.16940	8.0
289.17749	3.9
299.16324	9.9
301.17978	51.4
303.19534	14.3
317.17548	3.9
319.19061	10.2
325.18073	5.1
367.18665	4.6
391.19214	4.1
409.20282	6.1
427.21024	5.0
445.22223	4.5
463.23410	7.9
481.20142	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92147	0.4
55.01858	0.6
56.96568	1.0
57.50602	0.3
60.04217	0.3
60.04524	6.5
67.05492	0.7
69.03416	1.0
69.07069	0.6
69.82816	0.6
69.83223	1.7
70.02946	0.4
70.06586	1.8
71.04989	0.4
72.08139	0.5
74.06078	0.3
79.05475	0.9
81.03408	0.6
81.07059	0.8
84.08137	1.2
85.02901	1.5
86.09707	23.9
87.05586	4.8
88.04014	0.5
91.05475	1.3
93.07074	1.9
95.04944	0.8
95.08623	0.4
97.02854	0.5
97.06514	0.3
99.04491	0.5
103.05466	3.9
105.07032	0.4
107.05001	0.4
107.08564	0.4
109.02878	0.8
109.10149	0.5
112.11224	0.5
116.98640	0.4
119.08580	0.5
120.08107	100.0
121.08473	0.9
127.03905	0.9
128.10733	2.5
129.10252	0.4
131.04942	0.4
133.10130	0.5
134.04535	0.8
137.05989	1.9
137.09673	0.8
145.04973	0.4
151.03947	0.4
153.01825	0.7
165.09125	0.5
169.12315	0.5
173.12862	26.7
176.78362	0.3
177.05453	0.5
183.02235	0.3
201.12354	11.3
258.05325	2.5
261.15948	0.7
273.03998	0.4
275.53305	0.4
281.11322	26.6
286.04727	7.6
287.05350	2.4
303.17017	1.2
319.04453	1.4
319.08398	0.4
337.09927	0.4
341.95935	0.4
348.19174	1.0
354.74881	0.3
379.10559	0.4
427.11282	0.3
441.91354	0.4
463.21957	0.3
481.16718	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	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83830	0.5
55.05475	0.9
56.96521	1.3
67.05460	0.7
68.08812	0.4
69.03368	1.4
69.07006	1.5
69.88639	2.9
70.06532	0.7
71.04947	0.7
79.05434	1.7
81.03381	1.2
81.07053	3.5
82.88176	0.5
85.02839	1.4
88.93349	0.5
91.05412	1.9
93.07034	2.8
95.08609	3.1
97.02821	0.5
97.06463	1.6
98.97592	0.6
105.07024	3.0
107.08585	3.4
109.02808	0.7
109.06448	0.7
109.10104	0.9
116.98611	0.7
117.06975	0.9
119.01884	1.1
119.08578	4.5
121.10081	1.3
123.11654	0.9
127.03879	1.2
131.08517	0.8
133.10127	12.5
135.11690	2.3
145.10051	1.8
147.11621	1.7
149.09634	0.7
155.08435	0.7
157.10120	0.9
159.07973	0.6
159.11598	1.5
161.02942	0.6
163.03883	0.6
166.55199	0.6
167.07034	0.5
171.11624	0.6
175.14821	3.3
203.05209	1.0
215.14049	0.5
227.05247	0.9
231.13571	0.6
233.15201	0.6
234.98975	0.6
245.06284	5.1
271.04248	0.7
287.03754	2.1
289.05289	100.0
290.05588	1.2
437.21359	3.4
463.19595	1.0
481.20404	20.9
481.31097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85402	1.9
55.05490	1.9
56.96574	2.4
57.03435	2.7
57.62162	1.8
59.05002	2.1
61.02901	3.6
67.05500	8.6
68.99789	4.9
69.03432	15.5
69.07064	4.9
71.60382	2.8
72.65687	1.9
79.05468	5.2
81.03411	6.7
81.07050	9.3
83.04987	2.7
85.02911	4.3
85.06544	4.7
91.05480	11.8
93.07056	6.5
95.04969	4.8
95.08614	9.2
97.02883	5.1
100.11273	2.6
105.07050	13.0
107.04977	2.7
107.08569	10.7
109.02868	5.3
109.06512	3.9
109.10167	7.3
116.96689	1.9
116.98643	2.2
117.07016	3.9
119.08600	15.1
121.06491	25.3
121.10168	6.2
123.08086	3.5
123.11719	2.0
127.03920	8.3
128.06207	2.1
129.01930	4.5
131.08549	13.1
133.06541	2.6
133.10143	11.2
135.08058	4.5
135.11732	2.4
137.09619	5.3
139.07585	2.0
145.10109	17.2
147.08032	3.4
147.11676	5.2
149.09572	20.6
157.10165	4.3
159.08046	59.3
159.11700	3.7
173.13243	9.5
175.11197	4.2
175.14812	11.0
177.09100	22.8
185.13174	2.3
187.14821	22.5
215.14276	12.0
233.15292	18.2
245.06381	3.7
253.74614	2.2
289.05331	19.9
395.20227	2.3
406.09265	2.0
419.20245	3.8
437.21524	10.7
438.33560	2.4
463.19293	7.8
481.20490	100.0
481.27536	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	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01210	0.7
55.05490	0.8
60.35415	0.7
60.67873	0.6
64.54478	0.6
67.05485	1.9
69.03404	0.9
69.07069	1.2
69.53689	1.0
69.54099	4.1
71.04977	0.9
72.08126	0.7
78.34118	0.7
79.05466	2.4
81.03389	1.0
81.07025	2.0
84.08089	0.7
85.02885	0.9
85.90067	0.6
91.05450	2.2
93.07062	3.4
95.04951	1.0
95.08599	3.8
105.07052	4.3
107.08572	3.0
109.10134	0.8
110.07160	0.9
119.08603	3.5
120.08097	1.2
123.11725	0.9
131.08591	1.0
133.04149	0.7
133.10121	7.1
135.11656	2.2
145.10201	0.8
175.14777	1.7
200.00348	0.7
203.05283	2.1
221.02884	1.0
227.05327	1.0
233.15146	1.2
245.06371	6.3
261.02518	0.8
271.04263	1.1
287.03622	0.8
289.05307	100.0
293.04822	2.1
320.12170	0.7
413.01752	0.8
437.21521	1.9
463.19339	1.2
481.20477	33.2
482.21002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03382	0.4
61.30852	0.5
63.50635	0.5
70.59355	1.5
72.08162	0.7
86.09705	0.8
96.03943	0.5
103.17592	0.4
105.07005	3.2
119.01869	0.6
120.08115	0.9
127.77289	0.4
128.54831	0.4
133.06470	3.3
158.67555	0.5
161.05972	5.9
184.04881	0.6
185.04285	0.6
193.08554	2.7
212.45889	0.5
215.06709	2.1
217.04797	2.3
221.05095	0.5
224.05301	0.6
227.05316	2.3
232.07051	18.4
233.07843	8.0
242.66034	0.5
254.06355	0.5
271.04260	5.0
279.09946	1.2
283.10712	0.8
293.08597	0.7
319.12842	0.9
335.09357	0.6
362.08517	1.0
377.11185	0.9
395.13196	4.2
437.14203	36.5
438.14352	0.9
481.13187	100.0
482.13739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50833	0.3
55.01862	0.4
55.05520	1.7
56.05027	1.0
57.03437	0.8
57.07074	0.7
58.06606	1.4
58.07592	0.3
59.07386	0.4
60.08163	15.6
60.67035	0.3
61.53124	0.3
64.27036	0.3
67.05499	2.3
69.07073	1.9
70.06594	0.7
70.36738	1.1
71.07372	6.5
79.05492	1.5
81.07042	1.7
83.04971	0.4
83.08617	1.4
86.09703	52.2
86.67281	0.3
87.56426	0.3
88.11449	0.3
93.07035	1.1
95.08587	1.3
97.06527	1.2
97.10188	0.4
98.98464	4.3
103.11690	0.3
104.10742	100.0
105.11069	0.5
107.08597	0.8
109.10146	0.8
110.74986	0.4
121.10135	1.5
125.00002	27.5
129.05438	0.4
135.11687	0.8
143.01057	0.7
152.23251	0.3
163.01578	0.6
163.03903	2.2
184.07339	97.3
185.07736	0.4
207.06552	2.4
238.00546	0.4
258.11014	0.9
273.09866	0.3
288.14734	0.4
297.24200	0.7
300.28955	0.7
306.27734	1.0
307.28119	0.7
308.28516	1.6
350.42508	0.3
462.29846	8.5
474.20142	0.4
480.30811	21.8
481.22897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.40770	0.5
55.05267	0.8
55.05514	12.5
57.03437	6.7
57.07071	6.2
67.05504	8.9
69.07069	19.4
70.85069	1.2
70.85442	1.3
71.08630	4.0
79.05498	4.5
81.07054	10.3
83.08620	13.1
84.26350	0.5
85.10166	2.0
93.07044	6.9
95.08608	9.1
97.06541	2.2
97.10168	6.9
98.06059	1.6
98.98414	0.8
107.08600	4.4
109.10161	3.5
111.08060	1.4
111.11710	2.3
121.10130	5.3
123.11673	1.5
124.01571	0.6
125.09644	1.1
125.79734	0.5
135.11659	2.9
139.11177	0.7
149.13258	1.3
157.25380	0.6
196.75656	0.6
216.06328	1.0
265.25116	1.4
308.29480	19.1
339.28943	100.0
340.29337	2.2
387.81555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05520	11.2
57.03442	3.4
57.07090	4.5
62.06095	24.4
66.24211	0.9
67.05507	7.8
69.07071	14.5
70.85116	2.0
70.85488	2.2
71.08650	2.5
79.05498	3.9
81.07056	10.1
83.08627	10.7
87.24168	1.0
93.07070	4.2
95.08615	9.9
97.06549	1.6
97.10158	5.9
98.98468	5.3
107.08594	2.4
109.10162	2.8
111.11732	2.0
121.10155	4.0
123.11692	2.4
135.11728	3.8
142.02623	1.3
155.01056	7.1
173.02126	1.2
198.05130	1.0
216.06357	2.8
225.31248	1.1
247.23947	1.2
265.25320	3.1
308.29425	11.2
315.33594	1.1
339.28958	100.0
340.29312	2.4
350.44205	1.1
419.25668	3.0
462.29688	2.0
466.97623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05499	1.4
56.05033	1.1
57.03428	0.8
57.07073	0.6
58.06591	1.2
60.08165	18.4
64.96134	0.4
67.05490	1.9
69.07057	2.0
71.07372	7.4
71.59492	0.6
74.21091	0.5
77.37408	0.4
79.05491	1.4
81.07047	2.6
83.08624	1.0
86.09702	49.7
93.07049	1.4
95.08604	1.1
97.06525	1.2
98.98444	3.3
104.10741	99.8
107.08564	1.1
109.10157	0.7
121.10162	1.5
125.00003	27.8
133.32715	0.5
134.23973	0.5
135.11684	0.8
139.73695	0.5
143.00990	0.8
154.52513	0.5
163.01555	0.6
179.97952	0.5
184.07333	100.0
186.06458	0.5
206.13223	0.4
213.09622	0.5
258.11029	1.3
277.47156	0.5
290.51099	0.5
297.24182	1.1
373.63663	0.5
432.89038	0.6
462.29727	8.4
473.36697	0.5
480.30829	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
54.25984	1.9
54.98446	2.0
55.01865	9.3
55.05499	7.3
57.03427	6.3
61.02922	6.2
62.62242	1.8
67.05487	8.6
68.99783	4.4
69.03429	34.3
69.07069	7.9
70.85556	6.2
71.04977	7.1
73.02915	5.4
76.99590	1.8
78.06881	2.1
79.05482	5.9
81.03416	32.0
81.07053	28.2
81.23012	2.0
83.04979	3.8
83.08614	7.3
84.20432	1.9
85.02906	100.0
85.06524	2.9
87.00831	33.7
87.04489	2.0
91.05480	5.7
93.07035	8.4
95.08605	38.1
97.02885	30.1
97.06504	7.4
97.10172	4.9
99.04432	16.4
99.08083	4.4
105.01860	31.3
105.07022	11.1
107.08592	3.9
108.04491	2.5
109.02869	28.4
109.06513	2.0
111.08080	2.7
117.01842	3.1
119.08576	17.7
119.86499	2.1
121.10134	6.9
126.32172	2.0
127.03917	55.5
129.01874	3.7
129.87108	1.8
133.10124	9.0
135.11694	8.2
137.13235	10.6
141.56281	2.1
145.04968	19.2
147.02898	3.0
151.07539	5.9
159.02855	13.8
161.13257	63.7
176.12054	1.9
179.12723	4.5
179.14307	87.4
187.95157	2.0
189.04007	2.8
197.15369	49.1
213.03911	3.3
215.16339	12.7
225.14984	2.8
231.05052	12.4
237.14848	2.3
305.17447	8.7
365.19766	2.4
409.18454	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	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	1.3
55.05513	17.3
56.17887	0.8
57.03444	5.5
57.07075	7.1
58.71962	0.9
62.06081	1.0
67.05512	9.2
67.19498	0.8
69.06718	1.7
69.07069	22.7
71.04974	0.9
71.08618	3.0
74.58629	0.8
77.97650	0.8
79.05492	3.7
81.07057	9.7
83.08614	13.0
84.18418	1.0
85.10205	2.1
88.03991	1.9
93.07031	4.8
95.08601	11.0
97.06538	1.4
97.10184	7.7
98.06069	6.3
98.98459	1.2
107.08607	2.0
108.69394	0.9
109.10139	4.6
111.08096	0.9
111.11709	1.2
113.07018	0.8
121.10134	3.6
123.11693	0.9
135.11674	2.6
149.13223	1.3
150.25887	0.8
161.62291	0.9
165.82666	0.9
207.25908	0.9
229.53214	1.3
264.12857	1.0
308.29477	100.0
309.29782	1.8
326.30457	1.0
326.80273	1.1
339.28943	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17189	1.2
53.03959	1.5
55.01862	1.4
55.05509	3.3
56.96560	2.0
57.03424	3.4
60.04514	2.2
61.02907	1.6
67.05497	8.7
69.03402	2.6
69.07056	2.9
70.06581	1.8
70.14557	4.7
70.63866	1.1
71.04984	1.9
72.08125	1.6
73.02911	2.4
79.05487	10.2
81.03412	4.0
81.07047	9.6
83.04961	2.0
83.08623	4.0
83.13589	1.3
85.02904	5.2
86.09698	2.7
91.05475	4.5
93.07044	16.4
95.04958	5.1
95.06474	1.1
95.08596	17.6
95.09161	1.7
97.02902	3.5
97.06535	3.4
97.78291	1.2
99.04433	2.6
105.07009	3.3
107.04936	4.3
107.08574	12.5
109.02879	1.3
109.10133	2.4
114.96365	1.2
117.07019	5.0
119.08576	6.3
121.06538	2.5
121.10143	7.5
123.08045	2.2
125.05927	2.2
127.03864	3.0
131.08566	2.3
133.10094	3.1
135.11679	28.8
136.12067	1.7
139.07443	1.4
140.10701	3.2
143.08611	1.6
145.10114	16.3
153.12708	1.1
163.11182	34.7
181.12199	7.1
187.52444	1.2
209.11604	2.2
227.12759	47.9
228.13152	2.1
283.15375	100.0
289.05246	10.7
292.05457	2.1
293.04764	1.7
318.06949	2.8
343.94254	1.6
360.25153	1.5
371.04660	3.2
426.31921	2.6
444.33096	3.8
481.20419	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.8
55.01860	8.0
55.05514	22.9
56.05013	5.6
56.96553	5.1
60.04504	9.3
67.05488	4.9
69.03429	12.3
70.06598	29.9
71.35123	9.4
72.08148	13.5
78.00318	3.5
79.02184	3.5
81.03419	12.9
81.07057	13.0
84.04494	6.9
84.08126	9.5
85.02903	23.9
86.09702	41.5
91.05470	11.9
93.07031	6.3
97.02868	11.2
97.06579	5.5
99.04447	7.4
100.11199	4.7
105.07050	6.0
107.04931	4.7
109.02876	11.3
109.06438	4.0
109.07663	4.7
110.07173	5.8
116.98671	6.1
119.04926	4.5
120.08096	20.3
123.04437	4.1
125.06011	28.8
127.03924	21.1
128.04286	5.1
133.06465	5.3
137.05977	100.0
161.06004	7.3
161.09744	4.4
169.69122	3.7
179.10635	38.8
197.11708	77.6
213.51883	4.3
217.12502	3.8
224.13918	5.0
228.13815	5.3
236.12430	19.8
237.14333	11.5
237.64581	4.7
245.13052	5.6
246.14893	34.2
246.65117	20.9
253.63541	7.4
254.13490	49.5
254.63661	11.5
277.08075	4.4
283.13370	6.2
303.04535	5.4
317.06491	10.8
318.06870	29.6
320.09717	5.5
340.81259	5.5
480.31607	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	480.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78820	2.2
55.01868	5.3
55.05500	4.2
56.05048	2.6
56.96563	7.0
57.03432	3.6
65.03931	4.5
67.05505	5.2
67.86393	2.5
69.03433	9.6
69.07057	3.9
70.06592	24.7
71.05020	2.5
71.51239	4.7
72.08157	31.3
73.02918	3.5
77.31458	3.0
79.05485	8.2
79.89816	2.3
81.03413	4.2
81.07043	7.2
84.08138	10.0
85.02915	16.2
86.09708	17.8
87.04469	3.8
91.04963	4.5
91.05490	59.6
93.07055	8.5
94.07383	3.6
95.04961	5.3
97.02887	8.4
98.97609	5.0
99.91862	2.5
103.05460	8.4
104.07114	4.2
105.03410	10.9
105.07027	14.2
107.04942	6.9
109.02866	3.8
109.06542	13.6
109.10197	3.0
110.09615	2.5
115.03952	3.6
115.05437	4.6
116.98607	5.1
119.04097	4.8
119.04945	82.7
119.08565	3.5
120.08103	17.2
121.06534	6.8
121.08431	2.5
122.03642	5.6
123.04410	2.7
123.08069	5.2
126.05616	2.4
126.42493	2.6
127.03875	3.0
127.65452	2.5
128.10728	7.3
129.06979	2.7
129.10254	3.8
131.04927	8.8
133.04968	4.1
133.06467	10.9
133.10121	3.8
136.07616	3.5
137.05981	100.0
147.04396	32.2
149.05975	9.9
149.13297	7.0
150.13620	9.8
151.07552	42.3
161.05988	31.9
162.06746	16.3
163.07512	3.5
165.05521	4.8
167.07051	2.6
175.07550	27.9
179.07025	44.3
179.08511	3.0
186.15645	2.7
187.07535	10.5
193.03204	8.0
193.08614	8.2
205.08638	20.5
213.15952	3.2
219.08067	3.8
225.09274	2.3
227.17693	5.2
232.19200	2.9
251.10811	4.4
255.17056	6.1
279.10175	4.1
309.11282	18.0
311.12695	8.9
318.06680	2.9
323.12619	2.9
329.13834	3.0
341.14069	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78820	2.2
55.01868	5.3
55.05500	4.2
56.05048	2.6
56.96563	7.0
57.03432	3.6
65.03931	4.5
67.05505	5.2
67.86393	2.5
69.03433	9.6
69.07057	3.9
70.06592	24.7
71.05020	2.5
71.51239	4.7
72.08157	31.3
73.02918	3.5
77.31458	3.0
79.05485	8.2
79.89816	2.3
81.03413	4.2
81.07043	7.2
84.08138	10.0
85.02915	16.2
86.09708	17.8
87.04469	3.8
91.04963	4.5
91.05490	59.6
93.07055	8.5
94.07383	3.6
95.04961	5.3
97.02887	8.4
98.97609	5.0
99.91862	2.5
103.05460	8.4
104.07114	4.2
105.03410	10.9
105.07027	14.2
107.04942	6.9
109.02866	3.8
109.06542	13.6
109.10197	3.0
110.09615	2.5
115.03952	3.6
115.05437	4.6
116.98607	5.1
119.04097	4.8
119.04945	82.7
119.08565	3.5
120.08103	17.2
121.06534	6.8
121.08431	2.5
122.03642	5.6
123.04410	2.7
123.08069	5.2
126.05616	2.4
126.42493	2.6
127.03875	3.0
127.65452	2.5
128.10728	7.3
129.06979	2.7
129.10254	3.8
131.04927	8.8
133.04968	4.1
133.06467	10.9
133.10121	3.8
136.07616	3.5
137.05981	100.0
147.04396	32.2
149.05975	9.9
149.13297	7.0
150.13620	9.8
151.07552	42.3
161.05988	31.9
162.06746	16.3
163.07512	3.5
165.05521	4.8
167.07051	2.6
175.07550	27.9
179.07025	44.3
179.08511	3.0
186.15645	2.7
187.07535	10.5
193.03204	8.0
193.08614	8.2
205.08638	20.5
213.15952	3.2
219.08067	3.8
225.09274	2.3
227.17693	5.2
232.19200	2.9
251.10811	4.4
255.17056	6.1
279.10175	4.1
309.11282	18.0
311.12695	8.9
318.06680	2.9
323.12619	2.9
329.13834	3.0
341.14069	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.2
53.03945	18.1
54.41162	2.9
55.01877	14.2
55.05507	39.7
55.34132	2.7
57.03437	53.9
57.07080	4.4
59.04987	3.6
61.02911	5.3
65.03930	5.8
67.05502	98.5
69.03069	5.5
69.03427	73.4
69.07067	27.9
71.01353	8.1
71.04979	14.2
71.34186	4.3
73.02911	13.4
75.04446	3.7
79.05490	78.4
81.03410	59.2
81.07054	100.0
83.04969	17.0
83.08610	15.1
85.02901	41.8
85.06546	5.8
85.40594	2.7
87.04472	7.7
91.05480	71.8
93.07042	88.1
95.01348	3.0
95.04980	23.4
95.08605	76.1
97.02883	28.2
97.06535	9.8
97.10175	3.6
99.04436	17.2
101.02390	5.5
103.03926	15.0
105.07029	75.0
105.07748	4.6
107.04975	11.4
107.08595	48.7
109.02881	31.1
109.06527	10.8
109.10148	34.2
111.04459	13.2
111.08102	3.9
113.02325	3.1
115.03925	6.5
115.05445	5.5
117.05582	3.7
117.07014	28.7
119.08577	61.0
121.06490	8.6
121.10131	36.3
123.04417	5.7
123.08048	7.0
123.11713	9.4
125.09638	5.4
127.03913	34.0
127.93021	3.5
128.06218	6.9
129.05492	14.1
129.06984	25.1
130.07756	3.3
131.08566	49.8
133.06471	13.3
133.10123	36.0
135.08034	8.2
135.11676	25.5
137.05988	7.9
137.09595	5.9
141.06998	8.0
142.07800	4.7
143.08540	24.9
145.04968	8.8
145.06483	12.0
145.10127	37.7
147.08037	10.6
147.11646	24.0
149.09668	6.5
149.13272	12.0
150.54533	2.9
151.11165	4.2
154.90860	2.9
155.08566	13.2
157.06528	4.5
157.10127	17.3
159.08105	7.0
159.11700	31.0
161.09601	6.8
161.13251	14.8
163.11153	5.7
163.14796	6.7
167.08592	7.2
169.10094	10.8
169.59692	3.2
171.08055	8.6
171.11681	21.5
173.09613	5.7
173.13257	20.0
175.11162	6.8
175.14822	7.7
177.12726	5.1
179.14362	3.2
181.10124	6.6
183.06514	9.3
183.11694	14.6
185.09637	6.2
185.13231	13.6
187.11205	6.6
187.14812	15.2
189.12721	6.5
197.09601	5.3
197.13316	9.0
199.11169	6.6
199.14835	9.6
201.07581	7.5
201.12752	5.6
203.14302	6.9
209.13344	4.9
210.10449	3.2
213.12845	3.6
213.16417	3.9
215.14273	4.7
223.14850	3.3
225.12785	3.2
231.13702	5.0
239.14162	3.2
243.21181	5.9
255.21255	3.4
259.20663	7.8
261.14929	2.8
261.22195	10.2
271.20660	4.8
273.22119	8.8
285.22049	4.1
289.21713	5.6
297.22098	4.9
299.23865	4.4
301.21478	7.6
303.23154	8.8
313.21451	3.4
315.23306	9.4
317.24750	6.1
323.23724	4.1
327.23071	9.0
335.25864	8.1
341.24652	6.2
345.24289	10.0
351.23062	9.4
357.24500	3.2
369.24136	29.3
387.25134	19.2
401.26855	4.6
419.28149	5.2
425.27051	3.3
431.27493	5.0
443.27847	32.7
449.29337	6.3
461.28928	54.3
479.30017	73.6
480.29782	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	479.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
57.03412	0.6
58.99851	1.2
61.02887	0.6
67.05486	2.0
69.03417	1.0
69.07043	1.6
70.91380	1.5
77.00902	5.1
78.60503	0.7
79.05482	1.1
81.03427	1.1
81.07060	2.7
83.08583	0.8
85.02870	1.7
91.05460	1.5
93.07021	1.7
95.01944	5.9
95.04949	1.0
95.08568	1.7
97.02867	0.9
97.06499	1.5
103.02472	0.6
105.07058	1.3
106.16807	0.6
106.53432	0.6
107.08562	2.1
109.06482	0.7
109.10161	4.0
115.02396	0.6
119.08545	2.1
123.08038	0.7
123.11723	0.8
127.03918	0.7
131.01863	0.9
131.08543	0.7
133.03426	1.3
133.10115	1.4
135.11632	0.9
137.09601	1.8
141.03947	1.8
143.05518	1.8
147.05048	0.5
147.11685	1.1
151.07556	1.2
153.05444	0.6
155.05568	2.9
157.03442	0.6
157.10042	0.6
159.05013	4.1
161.06606	3.9
169.07149	3.6
169.10722	1.5
171.04993	1.6
173.06607	7.9
175.08153	1.0
177.06085	0.9
181.07100	0.7
183.05048	0.9
185.06616	1.1
187.04495	1.1
187.08151	11.2
189.12773	0.8
191.07632	1.8
195.08649	4.2
196.08224	0.7
197.10229	6.7
199.08151	1.4
201.06036	3.5
201.07666	2.6
201.09367	0.6
203.07539	1.1
203.09264	1.1
205.05641	2.5
205.09190	1.9
207.12282	1.3
213.07819	1.1
213.09724	13.6
215.09294	1.3
215.11279	11.0
219.07048	4.5
219.08888	0.6
221.10204	4.1
223.11761	2.1
225.13376	8.3
231.08659	0.8
231.10661	3.0
233.10139	5.3
239.11288	15.6
241.12912	1.4
243.14429	17.0
245.12312	0.6
248.14981	0.7
251.11281	55.0
253.57391	0.6
257.12296	7.8
261.15417	3.1
262.12943	0.9
266.16083	1.0
269.12335	96.0
270.12589	1.9
274.12903	5.9
287.13388	59.3
288.13571	1.2
292.13901	6.5
299.19995	1.7
310.14969	4.8
435.25916	1.7
443.22821	1.0
461.23788	18.4
479.24899	100.0
480.25412	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03951	7.8
55.01868	8.8
55.05509	18.6
57.03429	23.2
61.02932	4.5
67.05505	51.8
69.03427	36.4
69.07069	19.2
71.01401	4.2
71.04996	5.9
71.11752	7.0
73.02912	6.4
74.37672	4.0
79.05490	47.9
81.03421	35.7
81.07055	55.1
83.04985	7.1
83.08628	6.6
85.02906	18.8
85.06561	4.8
87.04510	3.6
90.18240	2.9
90.30348	3.3
91.05484	44.6
93.07043	49.8
95.04968	12.8
95.08614	42.6
97.02883	12.8
97.06570	5.4
97.10167	5.1
99.04456	7.5
103.03938	8.1
105.07024	42.3
107.04948	6.2
107.08598	25.6
109.02880	13.5
109.06540	4.1
109.10186	22.2
111.04456	6.2
111.08126	3.7
113.06011	3.0
117.07029	24.0
119.08571	30.8
121.06512	8.3
121.10137	20.8
123.08083	4.4
123.11751	4.7
127.03895	17.0
129.05473	5.8
129.06992	14.8
129.26031	3.7
131.08554	29.8
133.06438	6.8
133.10129	21.7
135.08031	6.8
135.11708	10.3
136.40405	3.6
141.06984	4.6
142.07712	3.9
143.08537	16.3
145.04871	3.2
145.06563	3.5
145.10139	25.2
147.08009	5.5
147.11676	13.2
149.09590	6.6
149.13342	8.6
155.08546	6.1
157.10092	5.8
159.08081	5.3
159.11725	15.6
161.09615	6.3
161.13297	10.1
163.11180	4.1
169.10176	7.6
171.08043	3.3
171.11703	8.8
173.09659	4.3
173.13272	14.2
175.14906	5.1
181.10133	4.2
183.06612	3.7
183.11742	4.8
185.13295	9.7
187.11327	4.9
187.14873	4.8
195.11760	5.5
197.09619	3.5
197.13200	4.5
201.12798	4.6
209.13133	3.8
217.12257	4.2
243.20917	3.5
244.73099	3.5
259.20636	5.6
261.22223	6.8
273.21838	3.6
296.83279	3.2
297.16776	3.7
301.21799	3.6
307.28073	8.8
338.27695	13.4
341.24655	6.0
345.24176	7.8
351.23026	6.6
359.26031	3.5
363.25247	4.4
369.24179	15.3
387.25275	7.7
419.28244	4.1
420.95718	3.6
425.26965	3.5
443.28162	15.4
449.28992	6.2
461.28946	49.0
479.29904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36872	0.2
54.10411	0.2
67.05502	0.6
69.03418	0.4
69.07082	0.2
71.09455	0.2
71.60249	0.2
72.08167	0.3
75.38863	0.2
79.05458	0.3
81.03428	0.3
81.07056	0.6
82.97561	0.2
85.02906	0.5
86.09659	0.3
91.05470	0.5
93.07037	0.5
95.04958	0.3
95.08628	0.4
97.02880	0.3
97.06496	0.4
98.97533	0.2
105.07048	0.5
107.08599	0.5
109.06511	0.3
109.10181	0.4
119.01988	0.2
119.08591	0.6
121.10160	0.3
123.08069	1.2
127.03902	0.3
131.08571	1.0
133.10120	0.7
135.08090	0.3
145.10152	0.5
146.10646	0.2
147.11682	0.3
161.02951	0.4
173.02950	0.3
173.09680	0.3
173.13310	1.0
185.04179	0.3
203.05312	1.1
210.96805	0.2
213.12555	1.2
214.13194	0.3
223.11862	0.4
227.05328	0.3
231.13548	5.3
245.06342	1.8
249.13451	0.6
259.10260	0.2
259.13046	1.4
267.14279	0.4
269.12598	0.2
271.04315	0.4
273.13312	1.2
289.05261	3.3
291.14481	0.7
375.17685	0.9
391.17361	0.2
393.18777	9.3
435.19882	32.7
436.19946	0.6
479.18875	100.0
480.19287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05504	0.9
59.52654	0.5
65.03944	0.8
67.05499	2.1
69.03436	1.4
70.03664	0.6
70.06583	2.4
71.04982	2.6
72.08154	1.7
79.05487	2.8
81.03417	1.7
81.07040	2.0
83.37064	0.5
84.08139	1.2
85.02902	2.0
85.06561	0.6
86.09711	3.3
87.00829	0.8
89.03912	7.6
91.05479	2.8
93.07059	2.8
95.04951	0.8
95.08605	2.1
97.02890	3.0
97.06509	0.8
98.21458	1.2
105.07030	1.3
107.04957	2.2
107.08585	1.4
109.10156	0.9
117.03389	8.0
117.06959	0.8
119.04942	0.8
120.08075	1.1
121.06463	0.7
123.04445	0.9
127.03865	1.3
128.06161	0.6
129.06970	0.7
129.10271	1.0
131.08591	1.8
133.10138	0.8
135.04422	21.2
135.08063	0.9
135.11708	2.8
137.05995	2.9
145.02840	13.0
147.04385	1.3
149.06033	1.0
151.07498	2.1
151.73109	0.6
153.01819	0.7
157.06485	0.8
159.08051	0.6
159.11691	2.4
161.05972	2.4
163.03906	100.0
164.04222	2.0
165.05449	5.2
167.07051	0.9
175.07521	0.9
177.12729	3.7
179.07042	2.0
181.04958	2.5
185.06049	0.8
189.05470	1.0
195.13779	5.3
203.07033	3.2
213.14854	2.8
217.08615	0.8
221.07999	1.3
229.66544	0.7
233.08101	1.7
245.08070	1.8
263.09097	2.3
265.06937	0.9
281.10321	1.3
287.05539	1.2
302.04318	6.7
317.03232	1.1
317.06583	9.8
325.09070	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1525
Annotation	Pilosidine
Peak:m/z	Relative Intensity
69.45647	1.8
69.46078	2.2
70.06572	0.5
70.31532	0.5
72.46412	0.4
75.19814	0.5
85.02914	0.4
86.37294	0.4
98.20816	1.0
143.08421	0.5
171.08026	0.9
185.04132	0.5
203.05272	5.2
213.09332	0.7
213.11278	0.8
271.58224	0.6
317.02914	0.5
370.75052	0.5
377.10748	0.5
391.13629	4.1
443.12799	0.9
455.50156	0.5
461.13919	2.7
479.15259	100.0
480.15588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05504	0.9
59.52654	0.5
65.03944	0.8
67.05499	2.1
69.03436	1.4
70.03664	0.6
70.06583	2.4
71.04982	2.6
72.08154	1.7
79.05487	2.8
81.03417	1.7
81.07040	2.0
83.37064	0.5
84.08139	1.2
85.02902	2.0
85.06561	0.6
86.09711	3.3
87.00829	0.8
89.03912	7.6
91.05479	2.8
93.07059	2.8
95.04951	0.8
95.08605	2.1
97.02890	3.0
97.06509	0.8
98.21458	1.2
105.07030	1.3
107.04957	2.2
107.08585	1.4
109.10156	0.9
117.03389	8.0
117.06959	0.8
119.04942	0.8
120.08075	1.1
121.06463	0.7
123.04445	0.9
127.03865	1.3
128.06161	0.6
129.06970	0.7
129.10271	1.0
131.08591	1.8
133.10138	0.8
135.04422	21.2
135.08063	0.9
135.11708	2.8
137.05995	2.9
145.02840	13.0
147.04385	1.3
149.06033	1.0
151.07498	2.1
151.73109	0.6
153.01819	0.7
157.06485	0.8
159.08051	0.6
159.11691	2.4
161.05972	2.4
163.03906	100.0
164.04222	2.0
165.05449	5.2
167.07051	0.9
175.07521	0.9
177.12729	3.7
179.07042	2.0
181.04958	2.5
185.06049	0.8
189.05470	1.0
195.13779	5.3
203.07033	3.2
213.14854	2.8
217.08615	0.8
221.07999	1.3
229.66544	0.7
233.08101	1.7
245.08070	1.8
263.09097	2.3
265.06937	0.9
281.10321	1.3
287.05539	1.2
302.04318	6.7
317.03232	1.1
317.06583	9.8
325.09070	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
53.78861	0.3
55.01861	0.4
57.03428	0.7
58.81063	0.2
61.02934	1.4
65.03932	0.4
66.65549	0.2
69.03430	4.1
70.06590	0.5
71.00156	0.6
71.04990	0.4
73.02908	0.8
79.05488	0.2
81.03418	2.1
82.42780	0.2
85.02905	11.4
86.09733	0.4
87.04437	0.3
89.21243	0.2
90.06464	0.2
91.03947	0.5
92.02616	1.0
93.03407	1.0
97.02888	3.5
99.04442	0.7
101.02351	0.2
109.02885	1.5
117.06963	0.3
120.08104	0.2
121.02833	1.1
122.03600	0.2
123.04428	0.2
126.03125	0.6
127.03915	2.0
137.02365	0.3
137.05965	0.6
139.03883	1.2
145.04950	1.4
151.03888	0.9
151.07585	0.3
153.01825	8.8
161.05957	0.7
165.01807	0.7
167.06978	1.2
177.05539	0.3
183.02826	0.3
201.05463	0.9
203.03413	0.8
217.04947	1.2
218.05804	0.8
228.04248	1.7
229.04964	3.8
231.02911	0.3
245.04568	1.5
246.05286	2.0
256.03705	0.5
257.04474	2.8
260.03177	0.4
271.05908	0.2
273.03937	1.6
274.04745	4.3
283.09555	0.2
284.03290	0.3
285.03952	4.8
286.04858	0.3
300.09906	0.4
301.03375	0.2
302.04230	14.8
303.04721	0.4
303.11908	0.3
315.12234	0.3
317.06561	100.0
318.06873	1.2
375.14252	0.8
387.14389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1338
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
55.01852	0.4
55.05484	0.6
67.01843	0.7
67.05472	0.9
69.03419	0.4
69.07047	0.5
70.18748	1.6
79.05469	0.8
81.03370	0.3
81.07002	1.1
85.02863	0.4
90.74346	0.4
91.05429	1.1
93.07023	0.7
95.04986	0.4
95.08595	0.4
95.37540	0.3
98.97474	0.4
105.07008	0.5
107.04893	0.3
117.07043	0.4
123.04374	1.0
130.32146	0.3
131.08481	0.5
137.05978	1.6
147.04410	0.4
151.03854	0.7
153.01826	16.2
160.05165	0.4
166.53304	0.4
171.02837	0.5
189.06921	0.3
194.74724	0.3
195.08098	0.5
203.03268	0.6
205.06439	0.9
219.08121	0.4
223.07491	1.0
229.05000	0.4
233.05984	0.7
235.07503	0.6
240.48051	0.3
242.05798	1.0
247.07623	0.4
248.08180	0.6
250.06229	0.5
251.07045	1.4
255.06317	0.6
256.07040	0.5
263.07047	0.7
264.07748	0.5
265.04892	0.5
265.08597	0.3
268.07040	0.4
273.08966	0.3
276.07779	0.5
277.08560	1.0
279.06464	0.9
283.05893	0.7
284.06760	1.3
286.04712	0.5
293.08258	0.4
294.05322	0.5
294.08731	0.7
295.05914	0.8
297.03781	0.4
299.05490	1.8
300.06201	0.8
305.04559	0.4
309.11264	1.1
310.04742	0.9
311.05505	2.3
312.06143	0.5
313.06995	2.0
323.05484	0.4
324.06250	0.4
325.07047	3.8
329.08224	1.6
331.09952	0.4
332.06818	0.5
337.07043	0.6
341.07932	0.6
343.09561	1.0
345.07388	0.8
346.08365	1.2
347.09164	0.9
348.06348	0.5
351.08554	0.3
353.08237	0.5
355.09610	0.5
356.10352	0.6
357.07611	1.9
358.08371	1.6
359.09186	3.7
360.06122	0.4
361.06818	0.4
369.07562	1.1
371.09061	1.9
372.09967	3.3
373.06787	0.7
373.10898	0.6
374.07770	2.6
375.08566	4.3
382.08325	1.9
383.09140	0.9
385.07068	2.2
386.07809	1.2
387.08823	2.1
388.09476	0.5
389.10126	1.8
390.10931	0.8
391.08032	0.9
397.07089	0.7
399.08609	3.7
400.09372	6.3
401.06256	0.9
401.10767	1.8
402.07233	2.5
403.08090	5.1
404.08737	0.6
405.09473	0.8
410.07938	1.1
411.08624	2.4
412.09360	1.0
413.06558	1.3
414.07397	0.7
415.07755	1.6
416.08890	1.4
417.09680	9.8
418.06601	1.0
418.11032	1.0
419.07678	0.6
427.08163	1.3
428.08945	7.9
429.09668	5.1
430.06439	0.7
431.07593	13.0
433.09113	6.3
434.09937	5.1
445.09253	5.0
446.09979	45.5
447.10175	2.0
449.12283	16.4
450.12582	0.7
460.07602	0.5
461.12305	48.8
462.12732	2.0
479.13385	100.0
480.13672	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01793	0.6
55.01872	6.1
56.05030	1.2
57.03424	1.3
60.62769	0.7
61.02909	0.8
69.03421	2.0
70.06590	9.6
71.04991	0.7
71.59193	0.9
72.08147	2.8
73.02901	1.9
74.06057	0.8
79.05467	0.9
81.03400	1.4
84.04494	2.0
84.08129	2.8
85.02906	4.8
86.09702	6.0
89.07147	1.2
91.05530	3.2
92.02595	1.7
93.03374	1.2
93.07033	1.7
94.65254	0.6
95.04945	1.0
97.02876	1.8
102.05556	0.8
103.05443	1.6
104.05304	1.1
105.06996	0.8
107.04932	2.9
107.08606	0.8
109.02869	1.0
110.07153	1.0
111.04426	0.7
116.07080	1.0
116.98665	0.7
119.04948	1.1
120.08112	1.9
121.02818	1.5
121.06486	2.5
123.04448	1.3
126.05470	0.8
127.03911	1.3
129.05490	0.9
129.10236	1.4
130.46387	0.6
131.04951	1.9
132.05696	1.2
133.02835	0.7
133.06400	0.7
134.03627	1.1
134.99654	0.6
135.04425	1.7
135.08127	0.6
137.02319	0.8
137.05994	2.1
139.03902	1.4
145.04912	1.3
145.06543	0.8
147.04417	1.8
149.05981	6.3
151.03923	1.6
151.07535	1.5
153.01848	8.7
153.05409	0.9
154.66197	0.6
160.05267	0.7
161.05960	4.7
163.03912	1.7
165.05457	1.3
167.07033	7.8
168.07414	1.1
171.11737	0.8
173.06029	0.7
175.03896	1.2
177.05507	5.3
179.06989	2.7
180.07819	1.3
181.08492	0.8
182.09366	1.9
188.04626	0.9
191.07051	2.4
192.07823	2.2
201.05438	1.1
201.12378	0.8
203.03456	0.7
203.07053	4.4
209.08047	1.6
211.07541	0.7
213.11214	0.9
214.11615	0.9
217.05023	0.6
221.08142	1.8
223.07700	0.7
228.04155	1.9
229.04939	3.4
231.02745	1.7
233.08014	1.3
245.04526	1.9
246.05156	1.6
251.09175	1.7
257.04422	2.6
263.14041	0.8
266.11829	0.7
273.03928	1.6
274.04651	3.9
281.08386	0.9
283.11948	3.8
285.03867	4.9
302.04242	14.9
310.90268	0.7
317.06558	100.0
318.06790	1.5
341.20322	0.8
355.11649	0.9
357.13330	3.4
368.12314	0.8
369.13211	0.7
405.15488	2.2
435.08966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
53.01793	0.6
55.01872	6.1
56.05030	1.2
57.03424	1.3
60.62769	0.7
61.02909	0.8
69.03421	2.0
70.06590	9.6
71.04991	0.7
71.59193	0.9
72.08147	2.8
73.02901	1.9
74.06057	0.8
79.05467	0.9
81.03400	1.4
84.04494	2.0
84.08129	2.8
85.02906	4.8
86.09702	6.0
89.07147	1.2
91.05530	3.2
92.02595	1.7
93.03374	1.2
93.07033	1.7
94.65254	0.6
95.04945	1.0
97.02876	1.8
102.05556	0.8
103.05443	1.6
104.05304	1.1
105.06996	0.8
107.04932	2.9
107.08606	0.8
109.02869	1.0
110.07153	1.0
111.04426	0.7
116.07080	1.0
116.98665	0.7
119.04948	1.1
120.08112	1.9
121.02818	1.5
121.06486	2.5
123.04448	1.3
126.05470	0.8
127.03911	1.3
129.05490	0.9
129.10236	1.4
130.46387	0.6
131.04951	1.9
132.05696	1.2
133.02835	0.7
133.06400	0.7
134.03627	1.1
134.99654	0.6
135.04425	1.7
135.08127	0.6
137.02319	0.8
137.05994	2.1
139.03902	1.4
145.04912	1.3
145.06543	0.8
147.04417	1.8
149.05981	6.3
151.03923	1.6
151.07535	1.5
153.01848	8.7
153.05409	0.9
154.66197	0.6
160.05267	0.7
161.05960	4.7
163.03912	1.7
165.05457	1.3
167.07033	7.8
168.07414	1.1
171.11737	0.8
173.06029	0.7
175.03896	1.2
177.05507	5.3
179.06989	2.7
180.07819	1.3
181.08492	0.8
182.09366	1.9
188.04626	0.9
191.07051	2.4
192.07823	2.2
201.05438	1.1
201.12378	0.8
203.03456	0.7
203.07053	4.4
209.08047	1.6
211.07541	0.7
213.11214	0.9
214.11615	0.9
217.05023	0.6
221.08142	1.8
223.07700	0.7
228.04155	1.9
229.04939	3.4
231.02745	1.7
233.08014	1.3
245.04526	1.9
246.05156	1.6
251.09175	1.7
257.04422	2.6
263.14041	0.8
266.11829	0.7
273.03928	1.6
274.04651	3.9
281.08386	0.9
283.11948	3.8
285.03867	4.9
302.04242	14.9
310.90268	0.7
317.06558	100.0
318.06790	1.5
341.20322	0.8
355.11649	0.9
357.13330	3.4
368.12314	0.8
369.13211	0.7
405.15488	2.2
435.08966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01851	0.3
56.05025	0.2
56.96544	0.4
57.03428	0.3
61.02908	0.7
65.03931	0.4
67.05479	0.4
68.99799	0.3
69.03428	1.3
69.87170	1.1
70.06595	1.4
71.04993	0.3
72.08140	0.8
72.23661	0.2
73.02913	0.3
74.06097	0.2
77.35286	0.2
79.05479	0.2
81.03396	0.8
81.07040	0.3
84.04492	0.7
84.08134	0.7
85.02903	4.6
85.06532	0.3
86.09689	1.5
87.04487	0.3
91.05468	0.4
92.02624	1.0
93.03416	1.3
93.07051	0.5
97.02890	1.3
98.97567	0.5
99.04420	0.4
102.05547	0.3
105.07051	0.3
109.02869	0.6
110.07142	0.3
111.00773	0.3
116.07156	0.2
116.51705	0.2
116.98577	0.5
119.04973	0.3
120.08089	0.9
121.02877	1.3
126.03123	0.6
127.03918	1.5
136.07556	0.3
137.05943	0.5
139.03894	1.1
145.04962	0.6
145.06451	0.3
147.04414	0.3
149.13269	0.3
151.03900	1.1
153.01828	8.1
163.03908	0.2
165.01836	0.7
165.05469	0.3
166.02657	0.2
167.06958	0.2
177.00653	0.2
177.05537	0.2
183.02945	0.3
183.04376	0.2
185.15324	0.2
191.03635	0.2
200.04750	0.4
201.03661	0.3
201.05417	1.1
203.03372	0.6
217.04987	1.0
218.05698	0.8
219.02740	0.2
228.04179	1.7
229.04962	3.9
231.02943	0.5
231.08998	0.3
245.04475	1.6
246.05258	2.3
256.03625	0.4
257.04474	3.1
260.03232	0.3
261.07593	0.5
271.06433	0.2
273.03931	2.3
274.04712	4.9
274.07480	0.4
284.03156	0.4
285.03934	5.1
287.02301	0.3
287.05374	1.0
302.04205	14.3
317.06555	100.0
318.06894	1.4
359.07886	0.3
422.70276	0.2
435.13068	0.3
479.11444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.13379	0.2
53.03940	0.5
55.01864	0.7
57.03427	0.9
61.02926	1.4
65.03934	0.2
67.05476	0.3
69.03429	3.6
69.76912	0.4
69.77327	0.7
70.06578	0.5
71.04978	0.7
72.08163	0.2
73.02899	0.6
74.24956	0.1
81.03407	2.1
85.02902	10.8
86.09687	0.3
87.04452	0.5
88.97659	0.2
91.03952	0.6
91.05427	0.3
92.02636	0.9
93.02925	0.2
93.03411	1.4
95.05006	0.2
97.02887	3.2
99.04446	0.6
103.85498	0.2
107.04964	1.7
109.02866	1.3
109.06518	0.2
109.10145	0.2
115.03923	0.2
115.05457	0.2
119.04962	0.2
120.08098	0.6
121.02860	0.8
126.03124	0.3
127.03922	2.0
129.30060	0.2
129.64581	0.2
131.04968	1.1
133.02832	0.3
133.06419	0.2
135.04333	0.2
137.02306	0.4
137.05965	0.6
139.03888	0.9
145.04955	1.6
145.06099	0.3
147.04350	0.3
151.03902	0.8
151.07437	0.2
153.00565	0.3
153.01823	6.8
161.05971	0.6
162.20135	0.2
163.07074	0.2
165.01810	0.6
165.09186	0.2
166.02586	0.2
173.05989	0.8
177.05511	0.3
179.07005	0.2
200.04640	0.4
201.05446	0.5
203.03372	0.6
203.06923	0.3
217.04918	1.0
218.05739	0.6
219.02995	0.3
228.04166	1.5
229.04977	3.5
230.58385	0.2
231.02924	0.5
245.04559	1.1
246.05255	1.8
257.04483	2.3
260.03214	0.4
271.06021	0.3
273.03940	1.6
274.04697	4.3
284.03235	0.6
285.03943	4.4
287.01941	0.2
302.04205	13.4
303.04736	0.4
317.06552	100.0
318.06949	2.1
329.06619	0.3
359.07632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03937	0.4
53.78861	0.3
55.01861	0.4
57.03428	0.7
58.81063	0.2
61.02934	1.4
65.03932	0.4
66.65549	0.2
69.03430	4.1
70.06590	0.5
71.00156	0.6
71.04990	0.4
73.02908	0.8
79.05488	0.2
81.03418	2.1
82.42780	0.2
85.02905	11.4
86.09733	0.4
87.04437	0.3
89.21243	0.2
90.06464	0.2
91.03947	0.5
92.02616	1.0
93.03407	1.0
97.02888	3.5
99.04442	0.7
101.02351	0.2
109.02885	1.5
117.06963	0.3
120.08104	0.2
121.02833	1.1
122.03600	0.2
123.04428	0.2
126.03125	0.6
127.03915	2.0
137.02365	0.3
137.05965	0.6
139.03883	1.2
145.04950	1.4
151.03888	0.9
151.07585	0.3
153.01825	8.8
161.05957	0.7
165.01807	0.7
167.06978	1.2
177.05539	0.3
183.02826	0.3
201.05463	0.9
203.03413	0.8
217.04947	1.2
218.05804	0.8
228.04248	1.7
229.04964	3.8
231.02911	0.3
245.04568	1.5
246.05286	2.0
256.03705	0.5
257.04474	2.8
260.03177	0.4
271.05908	0.2
273.03937	1.6
274.04745	4.3
283.09555	0.2
284.03290	0.3
285.03952	4.8
286.04858	0.3
300.09906	0.4
301.03375	0.2
302.04230	14.8
303.04721	0.4
303.11908	0.3
315.12234	0.3
317.06561	100.0
318.06873	1.2
375.14252	0.8
387.14389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13379	0.2
53.03940	0.5
55.01864	0.7
57.03427	0.9
61.02926	1.4
65.03934	0.2
67.05476	0.3
69.03429	3.6
69.76912	0.4
69.77327	0.7
70.06578	0.5
71.04978	0.7
72.08163	0.2
73.02899	0.6
74.24956	0.1
81.03407	2.1
85.02902	10.8
86.09687	0.3
87.04452	0.5
88.97659	0.2
91.03952	0.6
91.05427	0.3
92.02636	0.9
93.02925	0.2
93.03411	1.4
95.05006	0.2
97.02887	3.2
99.04446	0.6
103.85498	0.2
107.04964	1.7
109.02866	1.3
109.06518	0.2
109.10145	0.2
115.03923	0.2
115.05457	0.2
119.04962	0.2
120.08098	0.6
121.02860	0.8
126.03124	0.3
127.03922	2.0
129.30060	0.2
129.64581	0.2
131.04968	1.1
133.02832	0.3
133.06419	0.2
135.04333	0.2
137.02306	0.4
137.05965	0.6
139.03888	0.9
145.04955	1.6
145.06099	0.3
147.04350	0.3
151.03902	0.8
151.07437	0.2
153.00565	0.3
153.01823	6.8
161.05971	0.6
162.20135	0.2
163.07074	0.2
165.01810	0.6
165.09186	0.2
166.02586	0.2
173.05989	0.8
177.05511	0.3
179.07005	0.2
200.04640	0.4
201.05446	0.5
203.03372	0.6
203.06923	0.3
217.04918	1.0
218.05739	0.6
219.02995	0.3
228.04166	1.5
229.04977	3.5
230.58385	0.2
231.02924	0.5
245.04559	1.1
246.05255	1.8
257.04483	2.3
260.03214	0.4
271.06021	0.3
273.03940	1.6
274.04697	4.3
284.03235	0.6
285.03943	4.4
287.01941	0.2
302.04205	13.4
303.04736	0.4
317.06552	100.0
318.06949	2.1
329.06619	0.3
359.07632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01864	1.0
55.05497	1.1
56.96543	1.0
57.03440	0.6
59.13221	0.4
61.02898	0.8
63.10641	0.4
67.05485	2.0
69.03423	4.8
69.03768	0.7
70.06599	0.6
70.95019	0.9
70.95349	0.5
71.04968	1.4
73.02934	0.4
79.05460	1.3
81.03413	8.0
81.07034	2.0
83.04967	1.6
83.08604	1.7
84.08135	0.7
85.02899	5.8
85.06528	0.5
86.09698	1.3
87.00816	0.8
91.05482	2.2
93.07016	1.0
95.04961	2.1
95.08570	1.3
97.02892	2.7
97.06535	1.2
98.97551	0.9
99.04435	0.9
100.37973	0.4
105.07014	1.6
107.04947	0.8
107.08602	1.0
109.02879	2.7
109.06486	0.7
109.10154	0.8
111.04418	0.5
111.08045	0.5
119.08575	1.4
120.08113	0.7
121.06527	0.6
121.10104	1.1
127.03901	7.1
129.06995	0.7
131.08546	1.0
133.02838	2.3
133.10107	0.6
135.04370	0.5
137.05939	1.7
143.08549	0.7
145.04910	1.0
145.10114	0.8
147.08034	0.5
150.03136	1.3
151.03879	0.7
153.01822	12.6
157.10104	1.3
159.11681	0.7
165.05504	5.1
171.02966	0.6
171.11751	0.7
173.13240	0.6
175.11162	1.2
179.03355	0.6
189.03928	0.5
193.12230	4.9
204.04271	0.5
205.04939	1.0
231.04900	0.7
232.03601	1.3
247.02707	0.7
267.15817	3.0
274.04590	2.6
285.03925	0.6
285.16864	3.0
291.05191	1.8
299.13828	0.6
302.04181	27.9
317.06537	100.0
318.06860	1.7
371.04767	0.6
393.24625	1.5
396.78586	0.5
461.09055	0.8
479.11560	1.1
479.18646	1.7
479.25909	0.9
497.51349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05501	1.9
67.05508	2.0
68.99789	0.4
69.07066	0.7
71.04996	0.6
71.60016	0.5
72.24580	0.4
73.08394	0.5
79.05489	2.3
81.03405	0.8
81.07052	2.0
82.07371	0.4
83.04979	0.6
83.08609	0.8
91.05474	2.0
93.07024	0.6
95.04973	1.1
95.08624	0.9
97.06519	0.6
97.10153	0.5
105.07025	1.4
107.04961	1.2
107.08594	0.7
109.06544	0.5
111.08106	0.4
117.07018	0.8
119.04932	0.4
119.08578	0.7
121.06507	1.2
121.10131	0.7
123.04447	0.5
125.09619	1.0
131.08548	0.6
133.06465	0.5
133.10109	0.8
135.04427	1.2
136.05206	4.3
137.05957	2.3
145.06537	0.7
146.06935	0.4
150.03174	0.5
150.06708	1.0
151.03928	0.4
153.01816	5.8
153.09137	0.4
155.08429	0.5
159.11690	0.5
165.09134	0.7
171.02904	0.6
201.05460	0.5
202.75113	0.4
203.03409	4.4
213.05502	0.8
229.04955	3.6
234.15672	0.6
241.04927	2.9
242.05727	11.6
253.04906	0.9
257.04443	45.5
258.05151	6.9
269.04446	1.9
270.05240	4.0
271.06000	4.0
285.03946	3.8
286.04718	16.5
287.05460	11.1
297.03934	20.4
308.06592	0.8
315.05017	1.6
334.08267	0.9
345.07648	1.4
361.07056	2.6
368.22833	0.6
369.23651	0.9
373.07095	4.6
374.07822	0.6
375.08536	1.3
386.24008	1.4
387.24515	0.9
389.06448	3.5
391.08124	3.2
391.68286	0.4
401.06503	1.0
403.08105	1.7
417.05795	0.7
418.06900	2.3
419.07629	1.1
420.08389	0.7
435.10742	26.7
436.11185	0.5
446.06308	5.9
451.10391	0.6
460.27176	0.5
461.08603	7.3
461.28314	0.7
479.09729	100.0
480.10037	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70662	5.8
51.94649	5.9
54.09811	7.0
55.00793	6.6
58.62531	6.1
69.61566	42.2
69.61987	16.1
78.82888	6.4
94.93013	27.0
98.22346	6.2
106.05231	7.5
112.89594	100.0
114.66734	5.8
114.89338	55.7
124.01120	7.0
136.94055	70.7
144.45848	7.2
147.27899	7.2
148.94029	25.7
166.95137	40.3
172.95236	8.9
196.95926	8.6
200.42731	6.2
202.89116	12.0
214.89439	49.6
214.96352	13.8
214.99930	7.1
248.89934	8.7
256.90509	59.5
256.97995	23.6
344.85895	8.5
381.07947	88.4
419.03534	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0971
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
55.05527	0.6
69.28387	1.9
69.28812	3.2
79.05499	0.6
81.07063	0.7
91.05456	0.6
95.04955	0.6
98.21445	1.0
107.04931	0.7
107.08568	0.8
123.04415	0.8
130.66264	0.5
133.02890	0.6
135.04417	0.6
136.05186	3.6
137.05965	1.0
150.06798	0.7
153.01820	4.1
171.03033	0.4
203.03355	7.0
213.05452	1.1
223.07690	0.5
229.04906	4.8
241.04974	1.7
242.05734	9.6
253.05042	0.7
253.90825	0.4
257.04437	52.6
258.05209	6.5
269.04468	1.9
270.05212	3.3
271.05966	4.3
285.03922	5.8
286.04700	12.1
287.05463	13.1
297.03922	15.7
298.04523	0.5
305.08438	0.6
308.06946	1.1
310.04761	0.6
315.04962	1.4
317.06403	0.5
318.09204	0.6
333.07455	0.6
334.08264	1.1
345.07706	1.4
361.07031	1.6
362.07950	0.7
373.07095	4.3
374.07794	0.6
375.08493	0.8
385.59637	0.6
389.06558	4.8
389.15759	0.8
390.07318	1.1
391.08176	2.2
403.08197	1.0
417.05951	0.7
418.06818	3.7
419.07709	1.3
420.08493	0.8
433.09320	0.9
435.10760	15.2
446.06256	6.6
448.53830	0.5
451.10742	0.8
461.08636	8.6
465.38483	0.6
479.09726	100.0
480.09833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.20163	0.9
55.05305	1.0
55.05509	10.9
57.03425	3.9
57.07087	2.0
62.05783	1.7
62.06087	30.7
67.05500	29.1
69.07062	12.9
70.12511	3.7
71.99837	0.8
79.05496	9.5
81.06573	1.5
81.07053	25.3
83.08607	5.1
91.05461	4.1
91.40452	0.9
93.07056	8.9
95.08605	20.8
97.06535	1.2
97.10157	2.3
98.06036	1.2
98.98444	8.1
105.07030	4.3
107.08589	5.1
109.10143	8.0
112.77748	1.0
119.08556	3.0
121.10143	3.5
123.11724	2.7
124.01645	1.5
133.10100	3.2
135.11713	2.6
142.02676	1.2
147.11659	1.6
149.13280	1.1
151.14755	1.1
155.01053	4.8
156.81155	0.9
161.13248	1.7
173.02014	1.9
198.05276	1.7
212.96120	1.1
216.06281	2.8
245.22691	2.2
263.23724	6.6
306.27832	9.9
319.26199	1.1
324.36325	1.2
328.79459	1.1
337.27362	100.0
338.27777	4.3
417.23526	1.6
460.27933	3.3
478.29312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.71184	0.5
53.03933	0.8
55.05513	9.9
55.65941	0.4
57.03174	0.7
57.03429	6.0
57.07051	1.7
62.06083	0.5
67.05503	21.3
67.05869	1.0
67.93755	0.5
69.06721	0.9
69.07070	13.9
70.77891	1.0
70.78226	0.6
71.04984	0.6
71.08598	0.9
78.81125	0.4
79.05492	5.3
81.06577	1.0
81.07056	20.5
83.08611	6.2
85.06535	0.6
91.05475	3.2
93.07036	5.6
94.99095	0.5
95.08604	16.0
97.06513	1.1
97.10146	3.0
105.07033	2.2
107.08599	3.3
109.10146	5.5
111.08086	0.6
111.11694	0.8
112.60529	0.5
118.94191	0.5
119.08579	1.8
119.54392	0.7
121.10126	2.2
123.11662	2.5
124.01597	0.9
133.10129	2.0
135.11667	1.5
137.13213	1.5
147.11697	1.2
149.13263	0.9
152.94701	0.6
161.13228	1.4
166.47202	0.5
177.18155	0.5
181.48441	0.6
216.06329	0.7
245.22620	0.7
263.23669	1.3
279.78204	0.6
306.27774	2.5
337.27359	100.0
338.27798	4.4
343.45810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01870	3.1
55.05499	2.9
57.03432	2.8
61.02928	1.8
67.05497	9.2
69.03426	9.4
69.07067	1.8
70.06605	1.4
70.72952	2.5
70.73342	1.8
71.04999	6.3
79.05490	16.2
79.05909	1.8
81.03420	7.9
81.07050	15.1
83.04974	2.6
85.02905	16.6
85.06535	3.2
87.00822	5.9
91.05479	10.1
93.07044	41.8
93.94441	1.1
95.04949	2.6
95.08606	12.1
97.02895	4.3
97.06545	4.9
99.04452	4.1
105.01864	3.8
105.07025	5.7
107.04951	2.1
107.08581	14.2
109.02889	6.3
109.06537	1.5
109.10170	1.5
111.08043	1.5
116.00218	1.1
117.06987	6.4
119.08583	3.9
121.06503	14.1
121.10132	3.1
123.08091	2.0
124.08399	1.0
127.03922	10.6
129.98322	1.3
131.08533	5.9
133.10129	13.8
135.08049	8.5
135.11691	51.1
139.07542	7.7
143.08603	1.0
145.04997	2.3
147.11612	1.3
149.13271	9.1
153.09145	7.2
159.02893	2.3
159.11694	13.9
163.03864	2.6
165.12740	2.8
173.13275	1.3
177.12747	40.3
183.13841	2.5
195.13808	100.0
213.14851	37.4
217.12305	1.1
231.05070	2.1
259.09683	1.3
266.15582	1.2
332.14728	1.3
435.19916	3.2
460.27408	1.3
479.18878	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	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01877	5.9
55.05507	4.3
55.52025	1.1
57.03426	4.8
61.02911	4.9
64.39398	1.3
67.05492	4.3
67.23425	1.1
68.99797	3.7
69.03430	28.5
69.07056	5.9
70.06567	3.0
70.73084	2.4
70.73408	1.8
71.04991	7.2
72.08149	1.8
73.02908	3.3
79.05476	9.2
81.03425	23.7
81.07063	20.0
83.08599	3.4
85.02905	61.7
85.06544	100.0
86.09700	2.1
87.00829	23.5
91.03967	1.3
91.04939	1.2
91.05454	6.6
93.07043	19.3
94.44051	1.3
95.04954	3.7
95.08632	6.7
97.02888	20.5
97.06534	26.4
97.10170	1.3
99.04459	8.5
105.01191	1.8
105.01866	17.9
105.07041	7.9
107.04950	2.6
107.08587	16.7
109.02876	19.6
109.06522	2.7
109.10139	2.7
111.08053	2.3
113.06094	1.3
117.01886	1.5
117.06989	2.1
119.04912	1.4
119.08550	8.4
121.06487	1.9
121.10143	42.4
123.08030	1.4
125.09589	2.1
127.03914	35.6
129.01849	2.6
131.04977	1.6
131.08548	5.2
133.10129	5.9
135.08179	1.7
135.11710	1.9
137.05997	2.9
137.09622	2.4
143.08524	1.9
145.04953	9.8
145.10139	4.2
147.02966	1.8
147.04430	3.2
147.11705	2.1
149.09680	1.7
149.13263	23.6
155.08574	1.8
157.10115	2.6
159.02905	9.3
159.11711	12.2
159.24115	1.2
161.05972	1.4
165.12704	1.6
167.14278	9.4
171.11723	1.9
173.09563	1.4
177.12756	25.8
189.12811	1.4
190.52362	1.3
195.13803	89.4
207.13831	3.7
213.14850	53.8
217.12331	1.5
223.13148	1.5
231.05026	6.5
235.13498	1.8
249.14838	2.0
249.58620	1.2
285.14951	1.9
301.62933	1.6
303.15973	5.2
321.17081	2.8
363.17938	2.5
389.16061	1.5
407.16837	4.9
425.18152	2.7
432.21829	1.4
460.21417	1.9
478.22992	4.0
479.18723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76586	0.6
51.89191	0.6
53.03950	3.5
55.01858	2.3
55.78884	0.5
57.03425	2.5
59.71158	0.6
60.04508	0.7
61.02907	1.5
63.68020	0.7
68.99767	1.3
69.03430	10.6
69.97171	1.3
69.97588	2.5
71.04974	2.7
72.20855	0.6
73.02901	3.4
73.74911	0.5
75.18161	0.5
79.05474	2.1
80.04971	0.9
81.03419	10.3
81.27447	0.6
82.17715	0.6
85.02904	29.0
87.00826	13.1
89.92804	0.5
91.03942	0.9
91.05479	1.4
95.04961	2.2
97.02300	0.7
97.02895	9.4
99.04444	5.5
103.05451	2.5
105.01871	7.4
105.07064	1.4
107.04953	23.9
108.04485	3.6
109.02879	9.8
111.04485	1.0
115.05485	0.9
117.01852	1.8
117.07041	1.2
120.05667	0.7
121.06461	0.7
123.04361	0.8
126.05504	1.7
127.03915	18.9
129.01836	1.5
131.04909	0.9
133.06519	0.7
135.08054	7.8
145.04970	8.2
145.06075	0.9
145.06497	0.6
147.02864	0.8
152.04572	0.6
154.06242	0.7
159.02888	6.7
161.05978	0.6
163.07541	22.8
167.07042	55.3
180.07779	1.1
181.08601	4.2
183.15701	0.7
187.07510	0.6
193.08604	0.9
194.09290	0.8
195.10162	18.9
205.08640	1.0
213.11215	100.0
223.09709	0.9
225.11174	0.7
230.06635	1.1
231.05006	3.2
237.11209	2.1
248.07637	2.3
255.12207	1.4
279.12228	3.0
285.11285	0.9
303.12350	3.5
321.13358	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	477.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05512	3.6
57.03453	1.0
57.07079	1.0
60.11174	0.5
65.58888	0.5
67.05505	8.5
69.03421	1.9
69.07072	2.8
71.59830	0.9
71.60223	0.7
79.05489	4.0
81.03432	3.9
81.07059	8.6
83.04996	1.1
83.08618	2.0
89.69548	0.5
91.05474	4.4
93.07039	3.7
95.04969	4.1
95.08608	12.8
96.08895	0.6
97.02972	0.6
97.06533	1.4
97.10168	1.0
97.52194	0.5
99.08114	0.6
105.07025	3.5
107.04940	2.6
107.08604	2.8
109.06544	1.1
109.10152	9.7
113.09598	0.8
117.07013	1.2
119.08568	2.9
121.06459	1.0
121.10176	1.4
123.08079	9.9
123.11723	5.5
125.09605	1.2
129.06981	1.4
131.08554	1.8
133.10144	1.9
135.08038	1.4
135.11702	0.8
137.09589	3.7
138.09930	0.6
139.07516	0.8
143.08562	0.7
145.10121	0.8
147.08073	1.2
147.11676	1.9
149.09604	0.7
149.13228	1.1
151.07544	100.0
152.07880	1.7
155.10608	1.2
157.10153	0.9
161.09619	2.4
163.11238	1.0
163.14748	0.6
165.09117	17.0
166.08231	0.6
166.09427	3.8
167.09724	1.0
173.11728	1.3
175.11136	3.5
177.09125	2.5
181.09856	0.6
187.11226	1.1
189.12749	1.4
191.10692	7.8
193.12341	1.4
199.11145	2.0
201.11185	0.9
201.12837	0.7
203.10666	1.7
205.12268	4.5
217.12355	0.7
227.12714	0.7
231.13737	0.7
233.15451	0.6
245.15356	0.7
287.20105	0.8
293.24762	1.2
303.19434	4.3
315.46432	0.6
329.20941	0.7
357.24176	0.8
367.22827	1.0
385.23709	2.3
395.29437	2.5
403.24786	1.0
413.30652	3.8
414.15771	0.6
431.31589	1.7
459.26718	1.4
460.45822	0.7
477.28333	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74667	3.7
55.01876	13.9
55.05511	68.6
57.03429	16.4
59.04987	4.5
67.05504	64.6
67.05837	7.5
69.03429	17.2
69.07065	28.0
69.93382	20.2
71.05001	19.8
79.05493	79.6
81.03423	62.7
81.07065	75.2
83.04985	21.4
83.08617	51.5
85.02913	15.6
85.06556	6.9
91.05480	60.3
93.07047	50.1
95.04973	38.0
95.08611	36.5
97.02904	6.0
97.06520	18.3
97.10168	57.6
99.08143	4.4
105.07026	50.0
107.04946	44.5
107.08595	47.8
108.09016	3.8
109.02793	4.7
109.06514	17.9
109.10145	21.2
111.04467	5.3
111.08086	11.4
113.79419	3.8
115.05479	6.5
117.07010	20.3
119.08585	41.4
121.06509	41.9
121.10158	17.8
123.04428	8.1
123.08066	19.4
123.11723	10.2
125.09638	36.9
127.03918	4.9
129.07008	25.5
131.04930	6.6
131.08563	32.9
133.06485	15.1
133.10141	21.8
135.08047	20.1
135.11710	6.5
137.09674	5.3
139.07571	4.4
141.07036	7.1
143.08559	13.8
145.06494	24.9
145.10136	17.7
147.04428	8.0
147.08081	13.7
147.11665	19.6
149.05963	5.3
149.09659	12.4
151.07568	12.9
153.09113	7.5
153.12758	6.5
153.92084	4.1
155.08614	12.3
157.06476	7.1
157.10161	20.5
159.08095	5.5
159.11729	7.9
161.06010	5.4
161.09616	4.9
163.11221	7.2
165.09137	7.2
165.12770	4.3
167.08598	4.4
169.10117	8.8
171.08044	4.4
171.10258	4.1
171.11696	7.4
173.09677	10.0
175.11211	14.9
183.11748	5.9
185.09691	5.9
185.13252	7.2
187.11333	5.7
189.09230	5.7
189.11237	23.5
189.12698	4.9
191.10776	5.9
193.12225	43.6
195.17470	13.2
197.13326	4.8
199.11189	6.7
211.13274	14.6
212.17427	4.7
215.14336	9.6
227.12648	21.5
231.13893	6.6
233.15361	22.1
237.12770	4.4
241.14351	7.1
249.14682	5.3
255.13922	5.4
267.15918	21.2
273.14893	15.1
275.16428	4.9
339.23279	12.3
349.21500	20.3
357.24268	14.1
367.22739	58.0
373.15271	4.5
385.23712	90.7
403.24860	28.7
405.24908	4.5
414.76639	4.4
433.25961	5.2
441.26331	12.0
459.27454	100.0
477.16559	6.7
477.23337	5.8
477.28638	64.9
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
55.01875	20.2
55.05260	4.4
55.05510	76.6
57.03421	13.4
65.03928	6.0
67.05165	4.9
67.05500	65.6
69.03427	9.1
69.07062	21.3
69.50265	21.5
69.50674	5.1
70.73266	3.0
71.04987	7.0
74.11835	3.3
79.05054	4.9
79.05489	67.8
79.05949	4.0
81.03413	44.0
81.07054	59.7
82.67067	3.1
83.04974	13.7
83.08618	36.3
85.02893	8.1
85.06503	2.8
90.87464	3.4
91.05468	53.8
93.07040	37.4
95.04961	37.9
95.08604	38.9
97.02869	4.2
97.06510	13.0
97.10166	57.1
98.20762	6.8
105.07033	41.3
107.04955	38.0
107.08585	36.8
109.06506	14.3
109.10175	18.1
111.08075	7.7
115.05476	6.4
117.06998	23.1
119.04939	3.2
119.08574	28.2
121.06492	37.1
121.10160	17.4
123.04487	4.8
123.08070	13.5
123.11683	4.3
125.09632	39.9
128.06216	5.5
129.06998	25.3
131.04916	7.7
131.08560	29.3
133.06468	10.9
133.10117	14.1
135.08017	14.7
135.11725	6.4
137.09631	3.9
141.07010	7.6
143.08549	10.3
145.06477	18.7
145.10106	11.1
147.04428	5.4
147.08040	14.6
147.11670	15.3
149.09578	8.7
151.07553	10.0
153.09103	12.0
155.08508	7.1
157.06523	7.2
157.10083	16.6
159.08066	9.8
159.11681	5.7
161.05992	3.7
161.09621	6.8
163.11197	6.7
167.08614	3.5
169.10118	8.9
171.08000	6.2
171.10315	5.0
171.11707	11.6
173.09612	9.5
175.11200	12.7
181.10063	6.1
183.08131	3.7
183.11752	4.3
185.09648	5.8
185.13261	6.2
189.11232	29.4
189.12729	5.6
193.12234	29.9
195.11777	5.3
197.13235	4.9
199.11163	6.2
205.12195	4.7
211.13203	6.4
213.12758	4.7
215.14337	10.9
217.12245	4.1
219.13870	4.8
223.13147	5.9
227.12677	27.2
231.13829	4.1
233.15379	25.1
235.13245	4.1
241.14328	5.5
245.15366	5.7
249.14862	6.6
255.13733	7.6
267.15790	16.7
273.14883	16.7
289.17883	4.1
299.16498	3.3
323.20212	3.9
339.23062	8.3
349.21585	15.0
357.24182	14.7
367.22629	51.3
368.23041	3.3
385.23651	97.8
403.24744	39.7
433.25644	8.9
441.26053	8.9
459.27328	100.0
460.27744	3.5
477.28415	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44829	0.7
55.01859	1.3
55.05514	5.2
57.03423	1.4
64.96529	0.7
67.05506	6.0
67.16148	0.7
69.07059	1.2
71.59388	1.2
79.05498	6.8
81.03411	1.5
81.07066	6.5
82.16122	0.6
83.04974	0.8
83.08604	3.0
85.02885	0.9
90.16460	0.7
91.05482	3.5
93.07044	4.5
95.04942	1.5
95.08585	3.0
97.06509	1.0
97.10175	4.4
102.91166	0.7
105.07022	3.9
107.04942	3.1
107.08586	4.2
109.06505	1.5
109.10133	1.8
117.06994	2.0
119.08557	2.2
121.06480	2.6
121.10160	1.5
125.09602	3.4
129.06926	1.1
131.08549	1.9
133.06494	1.6
133.10132	1.1
135.08012	1.4
135.11670	1.3
141.07008	1.0
143.08571	1.3
145.06454	2.0
145.10094	1.4
146.24896	0.7
147.08075	0.9
147.11646	1.0
149.09567	0.8
153.09041	1.2
157.10103	1.0
159.11668	1.3
161.06052	0.7
161.09528	0.8
163.11162	1.0
169.10068	0.8
173.09482	1.1
185.04224	2.0
189.11189	2.8
199.11002	0.8
227.12712	0.9
233.15297	1.5
248.25238	0.8
270.48685	0.7
273.14810	1.9
304.30823	0.7
305.26657	1.3
315.19299	46.6
333.19070	1.6
339.23132	1.5
349.21646	1.8
354.49490	1.1
357.24469	0.8
364.90347	0.8
367.22592	5.0
385.19434	0.8
385.23779	8.7
403.24713	2.1
441.26331	0.9
459.27640	6.1
477.24496	100.0
478.24857	1.7
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
52.97861	1.1
53.03931	1.6
53.14814	1.1
55.01863	2.0
55.05258	1.7
55.05508	17.9
56.96537	1.6
57.03428	2.2
57.07069	3.2
57.75991	1.0
59.04988	2.7
59.27769	1.1
61.02915	2.2
62.05156	1.1
67.05505	10.3
69.03426	19.6
69.07067	8.2
69.64984	7.2
71.04981	4.1
73.02910	1.9
79.05495	6.3
79.25362	1.1
81.03404	9.9
81.07050	11.4
83.04980	23.2
83.08620	14.5
85.02422	1.3
85.02905	16.1
85.06548	10.1
87.00818	5.8
87.04496	1.7
91.05476	3.6
93.07037	9.7
95.04984	5.4
95.08608	10.2
97.02905	6.5
97.03419	1.0
97.06531	2.9
97.10149	4.5
99.04456	5.2
99.08086	7.0
101.05994	2.0
105.01849	2.8
105.07026	4.2
107.05003	1.2
107.08595	11.8
108.20934	1.2
109.02880	6.7
109.06490	2.1
109.10156	38.6
111.08064	3.1
113.05979	2.2
117.01812	1.6
119.04931	1.9
119.08554	4.6
121.06522	1.9
121.10141	5.1
123.08049	2.3
123.11697	17.8
125.09621	10.3
127.03920	9.1
127.11190	15.5
129.07011	1.6
131.08524	1.7
133.10092	4.7
135.11697	11.3
137.09633	2.0
141.12715	1.5
145.05009	2.7
147.08060	1.0
147.11641	2.7
149.13284	6.5
149.77448	1.1
151.11160	4.6
151.14764	1.6
153.12753	2.3
159.02863	3.5
167.07071	1.2
167.14323	19.5
169.12234	31.6
175.14824	4.3
179.45677	1.1
185.15375	11.7
186.52879	1.2
193.15866	12.8
209.15324	1.3
211.16928	76.0
212.17244	2.7
220.64684	1.0
229.17987	100.0
230.18382	1.6
231.50589	1.3
237.97493	1.1
253.18085	2.7
298.41965	1.1
367.22461	1.5
385.23795	2.5
405.89105	1.2
459.21930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1028
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.05530	0.1
56.96558	0.1
60.04519	0.1
67.05519	0.2
69.07062	0.1
70.06591	0.7
71.04987	0.2
71.60374	0.1
79.05495	0.2
81.07064	0.3
85.02908	0.4
85.06551	0.1
86.09708	0.2
91.05479	0.1
93.07042	0.2
95.04972	0.2
95.08583	0.1
97.02904	0.1
97.06532	0.1
98.82335	0.1
99.04464	0.2
105.07048	0.2
105.99274	0.1
107.04971	0.1
107.08607	0.1
109.10139	0.2
119.08596	0.2
120.08105	0.2
121.10133	0.1
122.06821	0.1
123.08052	0.1
127.03953	0.1
133.10173	0.2
135.08070	0.1
137.05975	0.1
145.10149	0.1
147.28091	0.1
149.05946	0.1
153.01871	0.4
175.07462	0.1
209.50378	0.1
218.01088	0.1
229.04922	0.5
257.04517	0.2
258.05231	16.8
259.05612	0.3
286.04709	37.3
287.05078	0.6
301.07050	100.0
302.07391	1.7
315.48370	0.1
459.31540	0.1
476.32678	0.1
477.10138	3.1
477.22675	0.2
477.32599	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	477.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04280	1.9
53.03949	14.4
55.01863	6.5
55.05519	5.5
56.96556	2.3
57.03429	5.5
58.81343	2.0
61.02931	4.3
65.03944	2.9
66.96531	2.1
67.05502	16.8
68.99797	4.5
69.03431	30.2
69.07053	2.6
69.55022	18.4
70.06611	2.4
71.04993	5.4
79.05496	30.3
81.03415	62.7
81.07058	24.0
83.04978	3.8
83.08627	3.2
85.02902	34.2
86.09713	3.5
87.00819	13.3
91.05476	43.7
93.07040	26.4
95.04962	15.3
95.08594	7.3
97.02898	13.6
97.06530	2.3
99.04471	14.5
103.03976	2.4
103.05479	8.8
103.60855	2.3
105.01871	5.7
105.07027	36.3
105.07681	3.6
107.04951	14.3
107.08603	9.7
109.02885	45.0
109.06482	4.8
109.10161	3.3
111.04462	6.5
115.05445	11.2
117.07004	23.5
119.04916	3.5
119.08587	18.2
121.02853	2.2
121.06522	8.7
121.22965	2.3
123.04424	21.2
127.03913	95.6
128.06241	12.4
129.06999	33.9
130.07834	4.5
131.04945	4.8
131.08563	26.7
133.06496	8.4
133.10115	3.5
135.04427	7.3
135.08087	2.3
135.11714	2.3
137.06001	9.6
139.00070	2.1
141.06979	24.5
142.07791	17.1
143.08549	31.2
144.09387	4.0
145.04987	3.7
145.06480	12.0
145.10095	18.8
147.04466	2.9
147.08073	7.3
149.05980	11.4
149.09645	2.9
151.07553	7.1
153.05804	2.8
153.06990	21.5
153.54666	2.3
154.07739	6.9
155.08551	52.2
155.11732	2.3
156.09355	5.4
156.45413	2.3
157.06517	5.1
157.10135	37.0
159.04451	2.7
159.08066	13.4
159.11710	6.1
161.05986	9.4
163.07510	4.6
165.07018	13.1
166.07770	11.3
167.08536	14.3
168.09320	23.5
169.06468	5.1
169.10139	20.3
171.08035	5.7
171.11700	5.8
173.06029	6.7
173.09680	8.8
173.13287	6.5
175.07558	3.6
178.07813	9.3
179.08582	6.6
181.06490	2.4
181.10124	25.0
183.08078	6.7
183.11696	60.0
185.06039	2.4
185.09618	5.0
185.13307	3.7
187.06065	3.4
187.07570	8.8
187.11177	7.4
191.08630	4.2
192.09373	2.6
193.10143	22.4
195.08218	2.8
195.11693	8.0
196.08800	3.8
197.09616	7.1
197.13188	3.3
199.07516	2.4
199.11169	13.6
201.09077	27.4
201.12714	15.5
207.08176	3.4
207.11700	4.4
209.09631	7.4
211.11217	26.5
213.03883	27.4
213.05698	3.3
213.09160	3.9
215.10706	6.2
221.09755	2.9
223.11172	7.6
225.09125	3.7
225.12871	3.7
227.10698	18.2
229.12227	100.0
231.05046	10.0
237.12842	2.7
241.12299	6.3
253.12189	8.6
259.13492	3.3
265.12192	3.3
267.13660	2.4
269.11728	6.5
271.13422	5.0
295.13568	3.8
305.13980	3.2
309.14969	4.7
314.32932	2.7
319.13370	5.0
337.14252	10.8
355.15311	10.9
373.16437	3.5
385.23965	2.9
391.17673	5.5
433.18649	2.6
441.15427	4.0
459.16550	26.9
477.17151	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05507	9.9
57.03433	4.9
62.05780	2.2
62.06088	34.5
65.03929	1.7
67.05166	2.1
67.05505	26.3
69.07067	7.8
79.05494	16.1
79.11965	1.1
81.07055	26.4
83.04973	1.7
83.08610	3.5
91.05474	10.5
92.77262	1.2
93.07037	21.4
95.04968	2.2
95.08608	21.9
97.06509	1.5
97.10201	1.9
97.89104	1.1
98.06057	1.6
98.20753	2.0
98.98470	10.3
105.07024	7.7
107.08579	9.2
109.10178	8.0
117.06998	2.1
119.08601	6.3
121.10167	8.5
123.08051	1.2
123.11720	2.5
124.01627	2.0
129.07048	1.2
131.08557	3.0
132.97162	1.0
133.10121	3.8
135.11707	4.8
142.02687	2.8
145.10107	2.5
147.11664	3.0
149.13283	1.3
155.01062	3.6
159.11723	1.6
161.13322	2.5
163.14801	1.3
164.80823	1.0
173.02086	1.5
173.13373	1.4
177.12686	1.5
192.69200	1.1
198.05252	2.8
216.06354	4.7
229.64973	1.2
243.21097	2.7
261.21982	5.8
304.26309	9.4
317.24728	1.8
335.25793	100.0
384.74570	1.2
412.33521	1.2
458.26575	3.9
476.27591	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03759	0.5
55.05511	6.6
57.03438	6.4
57.07066	0.5
57.09472	0.5
65.03922	0.8
67.05503	25.7
69.07056	5.2
71.04982	0.7
71.30889	0.8
79.05490	13.1
81.07055	21.2
83.04959	0.6
83.08614	2.1
91.05476	5.9
93.07047	12.7
93.13512	0.6
95.04936	1.3
95.08607	18.8
97.06522	1.0
97.10184	0.8
98.98460	0.9
105.07034	3.7
107.08604	6.9
109.06482	0.6
109.10162	5.7
117.07001	1.5
119.08568	2.7
121.10138	5.7
123.11687	1.4
131.08586	1.5
133.10107	2.1
135.11697	3.3
139.19516	0.6
145.10104	1.1
147.11740	0.8
149.13243	1.3
159.11700	1.0
161.13336	1.1
161.96019	0.6
173.13237	1.1
192.81772	0.5
261.22195	0.6
281.53793	0.7
304.26212	1.4
314.28091	0.7
335.25797	100.0
336.26178	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05514	0.4
56.96564	1.2
59.05006	0.6
60.04524	0.9
66.45684	0.3
67.05513	0.7
69.03436	1.3
69.07056	0.6
69.88063	2.4
70.06588	3.0
71.04991	0.6
72.08159	1.4
73.06559	1.6
74.78250	0.4
78.89059	0.3
79.05502	0.4
81.03424	0.6
81.07059	1.2
84.04508	0.7
84.08144	0.9
85.02909	1.8
85.06496	0.4
86.06082	0.4
86.09706	2.0
87.04465	8.0
87.10024	0.5
89.06030	100.0
91.05490	1.4
91.07602	0.9
93.07036	1.1
95.04974	0.6
95.08608	1.3
97.02893	1.0
97.06538	0.5
97.32292	0.4
98.97569	1.0
105.07035	0.8
107.04944	0.5
107.07070	4.2
109.02835	0.5
109.10177	0.5
116.98637	0.9
117.09132	0.6
119.08549	0.8
123.04431	0.5
123.08038	0.4
127.03937	0.7
130.08615	0.9
131.04967	0.4
131.07031	2.0
131.08516	0.5
133.08600	58.5
134.08931	0.5
135.08076	0.7
136.07556	0.5
143.08482	0.4
145.10068	0.5
146.06015	0.8
147.11702	0.6
149.09586	0.5
151.09676	0.7
157.09801	0.5
169.01360	0.5
169.95061	0.4
170.25583	0.4
173.09621	0.5
175.09645	1.0
177.00700	0.4
177.11217	22.3
179.12749	0.4
182.99588	0.4
215.10649	0.6
221.13832	2.8
223.15535	0.4
239.14847	1.6
265.16583	0.4
271.06287	0.5
279.12366	0.5
283.17477	1.8
286.10678	0.6
289.07297	0.6
327.20056	1.5
357.08627	0.4
371.22678	1.4
415.25211	1.3
433.20270	1.5
458.31351	0.5
459.28024	10.1
476.25592	4.5
477.13638	1.3
477.19272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.01869	6.1
55.05510	14.1
55.36723	3.5
56.96569	7.7
59.13179	4.1
61.02942	2.9
67.05498	14.6
69.03425	10.3
69.07071	18.0
69.52538	27.0
71.04975	3.3
75.00851	3.6
79.05494	13.0
81.03429	14.7
81.07059	20.4
83.04992	7.2
83.08611	11.2
85.02907	18.2
86.09694	4.3
87.00831	5.0
89.75111	3.0
91.05483	14.0
93.07058	28.7
95.04974	9.2
95.08593	27.8
97.02888	7.7
97.06502	8.3
97.10191	5.0
98.97596	4.5
99.04427	4.6
105.01863	4.1
105.07026	19.7
107.04953	6.6
107.08602	36.0
109.02885	5.9
109.06501	5.4
109.10168	12.4
119.08593	12.7
121.06480	3.3
121.10169	23.0
123.04435	3.0
127.03925	10.3
131.08546	4.6
133.10136	13.7
135.11693	36.2
145.10127	4.1
147.11726	8.1
149.13268	4.1
159.02992	3.8
165.09143	3.3
175.14828	37.3
177.16393	100.0
193.15929	8.3
211.17014	5.4
229.18030	3.7
385.23792	5.3
476.27060	6.5
477.15567	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29342	1.8
51.73166	1.9
53.03928	2.3
57.74107	2.0
69.03420	5.7
69.07059	8.1
79.05470	2.4
81.03411	3.1
81.07047	4.1
85.02888	8.5
86.25057	2.0
87.00848	3.5
91.05469	4.8
95.08604	5.5
97.02920	2.6
98.20699	4.7
104.07124	2.8
105.01871	2.0
105.07014	7.6
107.08610	2.3
109.02837	2.9
119.08575	28.5
120.08063	2.2
121.10118	4.4
124.03944	2.2
127.03899	6.9
133.10112	27.7
137.24013	2.0
137.83690	2.3
145.10121	2.3
147.11751	2.6
168.31328	2.0
175.14815	100.0
177.16502	2.2
191.68167	2.3
193.15926	6.0
248.56711	2.1
252.79533	2.3
279.71005	2.3
319.11444	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01866	2.8
55.05503	5.0
57.03423	2.8
61.02924	1.5
67.05489	4.5
69.03429	8.0
69.07081	6.7
69.82219	1.1
70.12628	1.2
70.71730	2.4
70.72086	3.1
71.04984	5.3
73.02903	2.5
79.05489	4.7
81.03420	8.4
81.07051	9.9
83.04977	1.6
83.08607	6.4
85.02429	1.6
85.02907	21.1
85.06568	1.5
87.00827	6.9
91.05480	5.1
93.07046	8.2
95.04964	3.9
95.08608	8.5
97.02896	7.9
97.06535	10.3
97.10121	2.9
99.04440	2.5
99.08071	1.8
105.01880	8.1
105.07030	5.2
107.04925	1.8
107.08595	10.1
109.02876	5.8
109.06507	7.7
109.10159	6.9
111.08084	2.1
111.11717	2.0
112.31033	1.3
119.08601	11.5
120.44730	1.3
121.06491	1.7
121.10139	7.3
123.08067	5.0
123.11709	10.9
125.09595	3.0
127.03888	11.2
133.10143	22.6
135.08034	2.6
135.11696	15.5
136.00940	1.5
137.09610	4.5
141.06905	1.5
141.12732	1.4
145.04932	5.0
147.08099	1.4
147.11665	2.7
149.13249	12.8
159.02887	2.4
161.06013	1.6
165.12817	2.2
175.14824	32.3
193.15891	40.6
199.05183	1.3
209.15343	2.2
211.16928	100.0
212.17215	2.0
231.04990	2.2
295.63864	1.5
320.44708	1.4
349.21494	1.5
367.22964	1.7
385.23715	6.0
403.24496	1.9
459.27518	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.98250	1.1
55.01858	3.4
56.33896	0.9
57.03427	2.3
57.92390	0.9
61.02952	0.9
61.06920	1.0
63.75055	1.1
69.03437	6.7
70.06576	3.2
71.04297	2.6
73.02921	2.2
79.05489	4.1
81.03416	7.6
84.95785	0.9
85.02906	18.6
86.09703	3.3
87.00826	7.6
91.05476	1.9
92.72941	1.2
97.02892	6.0
99.04434	2.8
103.00093	1.0
103.05454	4.5
105.01863	5.8
105.07026	46.8
108.04485	3.5
109.02883	6.5
115.05479	9.1
118.04160	3.2
122.56395	1.0
126.05515	2.3
127.03943	10.0
129.01767	1.1
131.04939	2.3
133.06483	47.2
141.36641	1.1
143.06030	3.2
145.04953	5.2
145.05998	1.2
159.02873	3.4
161.05980	100.0
162.06339	1.7
193.08603	97.6
211.09744	1.4
211.70049	1.1
230.06770	1.3
231.05124	2.1
248.07710	2.5
368.17383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96168	0.5
51.03088	0.5
52.28928	0.4
53.03938	0.8
55.01870	0.6
55.05511	3.6
56.96566	0.5
57.03416	0.7
57.07069	0.5
65.03911	0.6
67.05501	7.5
69.03423	1.7
69.07071	3.2
69.49231	4.1
71.04978	1.2
79.05504	3.6
81.03413	1.4
81.07059	7.6
83.04976	1.1
83.08611	1.9
85.02891	1.7
86.06059	1.1
86.09692	0.7
91.05475	4.2
93.07070	3.8
95.04968	3.6
95.08620	7.3
97.02899	0.7
97.06535	3.0
97.10170	1.4
98.20774	0.9
99.04413	0.7
101.06057	1.1
103.27802	0.5
105.07030	3.4
107.04976	1.6
107.08597	3.8
108.08904	0.5
109.02869	1.0
109.06537	2.3
109.10165	8.6
111.04407	0.6
111.11716	0.6
116.98650	0.5
117.06999	0.6
119.08576	5.4
121.06493	1.1
121.10171	2.7
122.07292	1.8
122.10514	0.5
123.04411	0.9
123.08064	1.6
123.11707	2.0
125.09605	0.7
127.03907	1.2
129.05481	0.6
129.07018	0.7
131.08565	2.1
133.10155	3.3
134.10468	1.1
134.99641	0.6
135.08066	1.3
135.11697	1.1
137.09607	10.7
137.13257	0.6
139.11099	0.5
141.07068	0.7
143.08522	1.1
145.04903	0.7
145.06483	0.8
145.10147	1.8
147.08055	0.6
147.11671	1.0
149.09583	2.8
149.13254	1.7
151.07549	1.4
151.14780	1.1
154.09474	0.5
155.08546	1.0
157.10081	1.0
159.11723	1.0
161.06000	0.7
161.09592	1.1
161.13255	0.5
163.03972	0.6
163.11215	1.2
163.14827	1.0
165.09119	100.0
166.09491	1.0
169.10077	0.6
173.09605	1.0
173.13243	1.0
174.13808	0.6
177.09097	1.3
177.16464	0.7
179.10651	1.1
185.13203	0.5
187.14870	0.7
189.09082	0.9
191.10706	1.1
191.14294	1.6
192.14633	1.3
203.10760	0.8
205.12233	5.4
209.11630	0.6
209.15369	0.7
209.19023	0.6
210.15579	0.5
231.13838	0.5
237.02916	0.6
241.17455	0.5
267.12912	0.6
271.12540	0.7
285.14041	0.5
323.25842	0.9
325.77408	0.6
334.49716	0.5
365.20917	0.5
383.22125	2.4
401.23590	0.7
429.33707	0.7
457.25745	1.8
475.25922	7.3
475.33511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.39529	1.7
55.01872	3.6
55.05508	20.9
56.28396	1.7
57.03437	8.6
57.07072	3.9
65.03949	2.6
67.05499	52.1
69.07063	19.6
71.05008	2.4
71.31496	3.0
75.90324	1.5
76.95214	1.6
79.05489	36.6
81.03444	2.3
81.07053	59.3
81.07518	3.5
83.04989	4.8
83.08622	9.6
83.17415	1.9
85.02883	2.0
85.06554	3.1
91.05474	33.2
93.07039	39.9
95.04976	6.4
95.08602	47.8
95.92739	1.7
96.64046	1.5
97.06541	5.2
97.10176	5.6
103.05506	2.1
105.07018	40.6
105.07671	2.8
105.92576	1.9
107.08590	23.6
109.06489	2.5
109.10149	18.4
111.08108	4.3
117.07016	15.3
119.08582	33.0
119.09359	3.0
121.10139	16.6
123.08081	7.5
123.11679	5.2
125.09624	2.7
128.06248	2.5
129.06999	12.3
131.08568	30.1
133.10121	26.2
135.08070	4.5
135.11690	12.8
139.11205	1.9
141.07054	3.9
142.07732	2.6
143.08536	11.1
145.10120	29.7
147.11668	18.1
149.09657	4.7
149.13283	7.9
155.08600	6.9
157.10086	17.7
159.08017	2.0
159.11678	24.1
161.09636	2.8
161.13249	10.8
163.11163	3.2
163.14861	2.9
167.08595	3.1
169.10182	6.5
171.11679	15.2
173.13293	17.6
175.11171	3.0
175.14856	6.4
177.12813	4.3
183.11728	8.1
185.13231	14.1
187.14844	9.5
195.11673	2.1
197.11705	3.8
197.13310	7.2
199.13255	4.1
199.14874	8.8
201.16420	4.2
203.14291	3.6
207.11580	2.0
209.13295	2.3
211.14903	3.6
213.16422	5.7
215.18214	2.2
217.15854	2.9
221.13358	2.2
225.16388	3.7
227.17992	4.8
231.17470	3.3
239.17973	2.5
241.19571	3.7
243.17418	2.5
247.17017	1.9
257.19077	4.4
259.20615	4.3
267.33621	2.1
271.05997	4.4
271.17828	1.7
271.20581	2.8
285.22171	8.5
287.23587	2.2
299.23801	6.9
303.23193	3.6
317.24902	2.1
332.06415	1.6
335.25827	4.8
336.11261	1.9
349.23920	1.9
365.23929	3.0
365.28311	20.7
373.27350	2.1
377.26929	10.1
383.29416	48.3
383.34052	3.1
391.28531	7.8
391.62372	1.8
401.30753	5.7
419.31744	2.7
457.33051	36.2
461.41873	1.7
469.13766	1.8
475.34070	100.0
476.34204	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27996	0.3
53.03947	0.3
55.01865	0.6
55.05511	2.5
57.03421	0.4
65.03918	0.5
65.69372	0.3
67.05173	0.4
67.05505	5.5
67.48806	0.3
69.03426	0.5
69.07066	1.6
69.78856	0.3
70.73403	1.1
71.04982	0.9
79.05479	2.1
81.03415	1.5
81.07056	6.5
83.04981	1.3
83.08617	1.6
85.02905	0.3
85.06546	0.5
91.05471	2.8
93.07034	2.5
95.04982	0.8
95.08612	5.4
97.06521	0.6
97.10174	0.8
99.04477	0.6
100.11245	0.6
101.06012	0.6
103.05463	0.3
105.07006	1.7
107.04951	1.2
107.08569	2.1
108.13555	0.3
109.02863	0.6
109.06513	1.3
109.10161	6.5
111.11708	0.6
113.09614	0.4
117.07020	1.0
119.08570	4.0
121.06506	1.0
121.10160	1.6
122.07282	2.0
123.08063	0.6
123.11685	1.5
125.05897	0.4
125.09641	0.7
127.11192	0.4
129.06993	0.8
131.08563	0.6
133.10127	0.9
135.08081	0.6
135.11694	0.9
137.09607	11.2
137.13216	0.7
143.08592	0.4
145.06474	0.4
145.10132	0.9
147.08015	0.6
147.11722	0.4
149.09613	2.5
149.13252	0.7
151.07632	0.6
151.11169	0.4
151.14812	1.3
153.09073	0.4
161.06023	0.4
161.13289	0.4
163.11182	1.4
163.14862	0.5
165.09109	100.0
166.09438	0.9
169.10123	0.4
172.08859	0.3
173.13223	0.4
175.11086	0.5
177.05431	0.5
177.09103	1.2
179.10664	0.8
185.13268	0.4
187.11150	0.4
189.09073	0.5
190.09863	0.6
191.10657	0.9
192.14540	0.3
203.10652	0.5
205.12248	6.4
227.12735	0.7
231.13634	0.4
247.16766	0.4
277.25089	0.4
289.14462	0.4
296.99808	0.4
297.59497	0.4
323.25656	1.1
365.21124	0.5
383.22131	1.9
401.23398	1.0
429.33658	1.0
457.25998	1.6
457.32077	0.4
459.18704	0.4
475.26785	3.5
475.33932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
62.13150	1.1
67.05483	1.6
70.19377	2.2
70.19793	4.1
89.03924	7.6
89.69573	0.9
91.05496	1.1
96.47720	1.2
98.20828	1.5
117.03379	19.9
117.19117	1.2
134.03596	1.9
135.04379	2.6
145.02840	40.4
149.06009	7.0
177.05467	79.5
178.05870	1.5
186.05490	1.8
194.11523	100.0
251.04823	1.8
363.17349	1.9
475.32968	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90244	2.1
53.03931	2.7
55.05497	8.5
57.03435	16.4
57.07075	36.6
61.02640	3.9
61.02926	52.3
67.05499	19.8
69.03428	20.6
69.07074	13.1
70.47594	7.6
70.47984	4.7
71.04977	3.3
71.08633	28.0
73.02915	24.8
74.31378	2.3
78.53923	2.2
79.05491	6.7
79.10466	2.3
81.03420	13.1
81.07056	24.9
83.04983	3.0
83.08625	15.1
85.02900	52.0
85.10176	18.2
87.04453	4.3
91.03957	31.5
91.05495	4.9
93.07020	3.5
95.04981	2.7
95.08600	30.0
97.02884	39.6
97.10170	7.1
98.98444	2.8
99.04434	6.7
101.02350	12.8
103.03954	5.6
105.07033	5.9
107.08571	6.0
109.02877	9.4
109.10123	14.2
115.03910	4.8
117.05416	3.5
119.08627	3.2
121.10144	3.2
123.11697	9.5
127.03919	19.1
129.05510	5.9
131.08569	3.9
137.13268	4.0
145.04970	11.6
155.08469	2.3
159.11586	2.4
183.06529	6.7
201.07567	4.6
204.13219	2.4
239.23689	26.9
257.24677	4.5
295.65378	2.3
301.18173	2.6
313.27362	100.0
332.37277	2.4
341.26959	2.5
345.53876	2.6
421.75488	2.7
457.31137	5.0
475.32736	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	1.3
53.03942	4.6
55.01884	2.4
55.05505	9.0
57.03438	23.7
57.07077	56.7
58.83195	1.3
61.02925	53.8
65.03954	1.7
66.17783	1.3
67.05503	19.4
69.03432	25.3
69.07073	13.0
69.64370	10.2
71.01343	3.4
71.05002	2.0
71.08630	35.4
73.02915	25.1
75.04467	1.6
79.05487	3.3
81.03421	16.3
81.07053	20.9
83.04958	3.5
83.08614	19.3
85.02901	60.7
85.10187	19.9
87.04474	3.4
91.03954	36.1
93.07025	2.4
95.08605	35.9
97.02891	49.6
97.10160	8.1
98.21387	2.3
99.04454	11.9
99.11725	1.7
100.95160	1.3
101.02367	10.0
103.03929	8.1
107.08614	2.0
109.02861	11.6
109.06504	1.6
109.10163	14.3
111.11730	3.0
115.03932	5.3
117.05505	3.1
121.10136	1.9
123.11695	9.9
125.13272	1.8
127.03914	22.7
129.05490	3.4
131.08527	1.5
137.13261	3.4
141.15454	1.4
145.04939	8.2
155.49399	1.6
159.06569	3.1
159.11746	1.8
166.09351	1.5
183.06509	6.1
191.05879	1.5
201.07605	3.7
221.22641	2.2
239.23679	29.2
257.24768	4.4
275.25958	1.7
313.27359	100.0
314.27667	2.8
341.26868	3.8
355.28256	2.2
383.28168	1.8
408.30701	1.4
453.15018	1.5
457.31741	4.9
475.32776	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	475.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84632	3.6
53.03948	8.0
55.01864	8.0
55.05513	41.8
55.51328	3.9
56.96549	4.3
57.03432	8.5
58.66411	3.6
65.03947	4.6
67.05502	45.3
69.03417	4.8
69.07056	9.7
69.32586	3.7
70.75922	12.3
71.04993	7.0
79.05490	37.7
81.03407	23.5
81.07050	45.9
81.96019	3.9
83.04984	7.1
83.08613	17.7
85.01743	3.9
91.05486	27.2
93.07029	29.5
95.04960	23.1
95.08597	22.8
97.02888	4.1
97.06514	6.2
97.10150	25.9
105.07017	21.9
107.04962	16.3
107.08595	27.3
109.02874	12.2
109.06464	5.3
109.10159	15.3
117.07005	17.3
119.05021	6.1
119.08588	21.2
121.02831	5.3
121.06500	12.2
121.10123	11.4
123.08054	9.6
125.02379	9.2
125.09620	16.8
129.07025	11.2
131.04944	5.2
131.08537	16.6
133.06490	9.6
133.10114	8.3
135.08051	9.2
135.11705	6.7
137.05936	5.7
141.06999	6.8
142.07703	4.3
143.08568	13.6
145.06476	14.9
145.10121	14.1
147.04407	9.9
147.08028	9.4
147.11656	4.6
155.08565	10.8
157.06546	4.7
157.10155	7.8
159.08058	8.5
161.06007	40.2
161.09555	5.6
163.11208	14.7
167.08583	5.1
169.10124	4.9
171.08057	8.6
173.06020	9.6
173.09654	14.2
175.07591	5.7
177.09164	5.2
185.09639	5.8
187.07542	4.3
187.11124	4.7
189.09106	8.0
189.11189	7.6
193.12268	5.0
194.10643	4.9
199.11194	5.7
201.09163	4.8
205.12209	5.9
209.11638	5.4
209.93068	3.8
211.11118	5.2
217.48679	4.2
225.12718	4.9
227.12744	7.0
229.12363	5.3
231.13791	11.6
243.13702	4.8
263.26218	4.6
269.15320	7.1
271.13239	5.8
273.14893	11.7
289.14258	20.7
303.15985	4.5
355.22678	5.7
365.21075	20.9
383.22134	99.0
401.23154	39.4
403.23068	4.5
419.24316	5.1
421.23917	5.2
431.23996	5.7
439.24899	13.3
457.25836	64.2
475.26791	100.0
475.33243	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01863	2.1
55.05494	2.0
56.00625	0.8
56.96550	1.0
61.02905	1.0
64.44304	0.8
67.05502	1.6
68.99780	0.9
69.03426	5.0
69.48723	5.9
70.06588	2.6
71.04975	3.3
72.08146	1.2
79.05486	2.7
81.03421	5.6
81.07047	2.2
83.04959	0.9
83.08640	0.7
85.02902	7.6
85.06528	0.9
85.48622	0.7
86.09714	2.1
87.00828	3.9
91.05466	4.2
93.07036	4.1
95.04958	1.9
95.08604	1.8
97.02892	2.8
97.06537	1.0
99.04458	9.9
105.01855	1.6
105.07051	3.9
107.04961	1.2
107.08604	3.3
109.02881	3.7
109.06519	2.3
109.10156	1.7
113.09633	0.9
114.07570	0.9
115.05452	0.8
119.08560	1.2
119.25374	0.8
120.08120	1.0
121.06489	1.0
121.10152	5.7
122.06027	0.7
123.08068	1.1
123.11705	1.5
124.67281	0.8
125.09651	0.9
127.03921	7.2
129.06975	1.7
131.04947	0.9
131.08575	5.5
133.10101	3.5
135.11728	0.9
137.05984	2.9
137.09572	1.6
139.11195	0.7
141.06972	1.0
143.08566	1.6
145.04921	1.1
145.10153	1.7
145.81319	0.7
147.04419	1.3
147.08084	0.7
147.11694	1.2
149.09618	100.0
151.07520	1.4
151.11139	0.7
153.06978	1.2
155.08522	0.8
159.02917	1.3
165.06979	1.1
169.12259	1.5
171.11745	1.3
173.09608	0.9
173.13307	1.4
175.07510	1.3
181.10173	1.1
183.13785	2.3
191.14311	7.0
199.11137	1.0
203.07071	1.0
209.15385	12.6
227.10658	1.4
227.16400	8.9
229.15504	0.9
285.15665	0.8
377.19650	0.8
475.21439	1.0
475.32568	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01857	4.4
55.05507	4.7
56.96564	3.5
57.03426	4.7
61.02919	3.2
67.05495	4.8
68.99782	2.5
69.03078	1.6
69.03428	17.9
69.07061	5.7
70.06591	3.8
70.86292	2.7
71.04993	32.7
72.08143	4.7
73.02930	2.6
79.05495	5.8
81.03417	18.7
81.07037	7.1
83.01349	1.8
83.04987	3.5
83.08601	4.1
84.08125	1.6
85.02904	32.6
85.06544	8.4
85.50941	1.2
86.09695	10.7
87.00815	9.9
91.05478	9.6
93.07069	8.8
95.04957	2.1
95.08602	7.6
97.02893	12.4
97.06541	4.4
98.97595	1.7
99.04453	100.0
99.08097	5.6
103.05472	1.4
105.01864	7.9
105.02477	1.5
105.07034	10.0
107.04921	1.9
107.08585	23.0
109.02876	16.8
109.06508	5.5
109.10146	11.1
110.95756	1.5
111.08106	2.8
113.09657	4.4
116.98634	2.4
117.01891	2.0
119.08608	4.2
120.08104	5.5
121.06491	3.7
121.10149	12.3
123.04410	2.9
123.08046	18.4
123.11717	9.8
125.09615	6.9
127.03909	23.1
127.11216	2.5
129.01855	1.6
129.06648	1.3
131.04903	1.6
131.08560	4.5
133.10107	17.2
135.04416	4.4
135.08054	2.0
135.11691	2.7
137.05969	6.4
137.09619	2.2
139.07491	2.2
139.11176	4.9
145.04974	6.3
145.10156	3.3
147.11705	5.0
149.09628	8.4
149.13228	9.8
151.11206	6.8
153.09077	2.0
159.02895	7.6
163.03896	6.5
163.11177	3.8
163.14839	2.7
165.09084	1.7
165.12785	2.3
167.07152	1.9
167.10696	5.9
169.12245	7.9
173.13286	7.0
175.07504	1.8
183.13794	36.2
185.11765	1.9
191.10721	1.8
191.14304	9.1
209.11935	2.3
209.15349	43.7
213.03932	2.1
227.16414	91.6
231.04961	4.1
315.95309	1.5
350.75580	1.8
355.11246	2.9
357.22455	2.8
415.14847	1.7
440.41711	1.6
475.21326	6.5
475.32629	54.0
484.94711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71027	0.5
55.05488	1.1
55.51336	0.5
56.96564	19.4
67.05478	1.7
69.03417	0.7
69.07044	0.7
70.14929	2.1
71.95231	1.9
72.96037	0.9
79.05499	1.3
81.03417	1.1
81.07023	2.1
83.08570	0.7
84.96033	0.7
85.02880	1.4
85.06534	1.1
91.05462	0.7
93.07038	1.0
95.08598	2.9
97.02887	0.6
98.97572	2.7
105.06991	0.7
107.08541	0.9
109.02850	0.6
109.06482	0.8
109.10124	1.3
110.97556	0.7
116.98582	1.8
119.08607	0.9
121.10118	0.6
123.08076	0.7
127.03919	0.9
128.98640	0.6
131.08548	0.7
133.10112	0.7
134.99652	0.8
135.08038	1.7
136.08440	0.7
146.99657	1.0
151.07530	2.7
159.11638	0.6
161.02855	0.5
165.09035	1.7
167.03777	0.9
173.13208	0.5
191.10654	1.3
191.14343	1.4
192.14594	1.6
197.08342	0.8
200.02243	0.6
205.11963	0.7
223.10132	2.2
235.10095	2.7
237.02820	1.4
241.11095	21.8
245.10623	0.7
253.11102	49.8
254.11526	0.8
256.14502	0.8
257.14227	2.4
259.12173	43.0
260.12494	0.7
264.12708	1.4
267.12683	1.5
271.06055	16.3
271.12155	100.0
272.12500	2.2
273.12814	0.7
275.14487	1.3
276.12830	0.9
277.13562	0.6
282.13821	0.7
285.13617	1.6
289.13272	6.7
294.13724	5.7
295.12119	1.2
299.15039	0.8
313.13159	1.5
313.21237	1.2
328.24210	0.6
331.17194	0.6
397.15329	0.9
415.16348	19.1
457.25815	0.6
475.24124	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01850	7.7
55.05497	7.7
57.03410	3.0
67.05493	9.0
68.99781	7.3
69.03434	18.5
69.07065	3.0
70.85450	5.3
70.85796	4.7
71.04977	4.5
78.77451	2.1
79.05473	10.9
80.57718	2.1
81.03410	39.7
81.07066	15.0
83.04975	15.0
85.02902	11.5
87.00805	10.1
87.04463	3.3
91.05475	18.8
93.07037	9.6
93.98130	2.1
95.04957	14.2
95.08595	6.6
97.02892	76.4
99.04427	5.6
103.05460	2.7
105.01839	3.4
105.07028	23.5
107.04952	9.9
107.08585	4.7
109.02882	37.4
109.06529	6.8
111.04439	31.7
115.03936	13.8
115.05477	8.7
117.07010	12.9
119.04926	3.1
119.08562	8.0
121.02859	2.3
121.06495	10.1
123.04438	3.6
126.06917	2.1
127.03922	30.9
128.06198	14.1
128.44934	2.3
129.07007	31.2
130.07765	3.9
131.08554	18.9
133.06476	7.1
133.10144	4.5
135.08044	5.3
137.05962	2.9
137.09637	3.6
141.06979	22.6
142.07762	10.4
143.08548	59.9
145.06487	6.8
145.10091	16.5
147.08043	3.6
147.11655	2.9
149.05939	5.2
153.06975	13.4
154.07739	25.9
155.08537	26.4
156.09367	11.6
157.06464	5.2
157.10101	10.1
159.11682	2.3
161.05948	6.8
163.07568	6.8
165.06944	15.1
165.09076	14.9
166.07837	12.3
167.08528	34.5
168.09256	4.2
169.06516	3.1
169.10127	100.0
171.08028	8.0
171.11684	85.4
173.09596	4.5
173.13196	4.0
175.07520	3.3
175.14737	4.0
176.15199	4.5
178.07764	7.3
179.08536	21.2
181.06441	3.2
181.08670	5.1
181.10123	35.7
182.07268	3.6
183.08046	5.6
183.11708	7.8
184.08817	3.4
185.09595	4.7
187.11227	4.5
189.09273	2.5
189.12704	3.0
190.07753	3.8
191.08508	5.8
191.14308	2.6
192.09319	5.1
193.10123	12.7
195.08017	10.2
195.11671	6.5
197.09612	60.7
197.13336	3.0
199.07477	2.8
199.11168	42.0
201.09137	4.2
203.08554	5.1
203.10402	3.4
204.09302	3.9
205.10133	9.1
206.10747	2.5
207.08057	3.9
207.11729	10.2
208.08723	2.7
209.09630	8.8
209.13362	2.5
209.15321	2.7
211.11124	11.1
213.03918	8.2
213.09070	10.3
215.10652	48.5
217.10146	7.2
217.12207	47.3
218.10912	3.3
219.11662	8.7
221.09616	5.9
223.11174	6.1
225.09050	6.8
225.12769	3.0
227.10635	13.6
233.09558	5.9
235.11154	8.4
237.12743	4.0
239.10704	4.6
241.12096	2.9
243.09938	19.0
245.11676	17.4
247.11177	5.8
251.10687	7.0
251.14360	3.1
253.12233	6.0
255.10063	4.5
257.11731	3.9
261.11118	7.7
261.12964	9.3
265.12198	7.0
267.08719	4.4
269.11731	5.3
271.06125	11.4
279.10605	3.1
279.13690	12.6
281.11728	3.7
285.11166	3.6
289.12180	11.1
297.11130	3.2
307.13162	19.6
325.14377	14.0
335.12720	10.3
343.15390	2.9
353.13837	24.4
371.14868	19.8
389.15805	5.3
411.14212	3.3
429.15097	4.4
439.13837	3.9
457.14822	12.8
475.16116	20.0
475.26859	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	2.1
57.03429	1.2
57.07063	1.1
59.04982	1.2
67.05501	3.9
68.99803	0.9
69.03436	6.5
69.07042	1.2
70.93440	2.1
70.93788	1.4
71.04980	3.4
73.02913	1.2
74.72625	1.0
79.05478	2.0
79.39808	0.8
81.03410	5.5
81.07051	4.2
85.02904	12.5
85.06548	2.0
87.00828	5.4
91.05478	5.9
93.07061	4.6
94.77934	0.9
95.04959	3.6
95.08614	4.8
97.02885	4.9
97.06517	1.5
99.04430	1.7
105.01872	4.0
105.07018	11.6
107.08593	7.5
109.02882	5.2
109.06514	56.3
109.10154	13.5
115.05334	1.2
117.06983	1.5
119.08553	5.6
121.10106	4.5
123.08074	7.7
127.03932	8.0
129.07051	1.1
131.08566	21.0
133.10130	54.4
135.08051	22.7
139.11116	1.1
143.08522	1.7
145.04941	3.4
145.10135	3.7
147.11713	4.7
149.09642	2.1
149.13272	2.4
153.09081	3.1
158.10939	3.9
159.02902	1.6
173.13257	37.9
175.14856	2.2
191.14299	100.0
192.14671	1.1
209.15361	45.3
209.17365	2.3
245.18428	1.0
249.84459	1.0
357.60571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1237
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03939	1.1
54.89534	1.1
55.05520	5.1
61.02915	1.4
61.69487	1.0
67.05498	3.2
69.03428	54.5
69.51402	4.7
69.51843	3.7
71.01328	1.8
71.04989	5.8
79.05494	3.6
81.03410	2.2
81.07049	3.8
83.04987	13.1
85.02914	6.8
86.09748	1.3
87.04478	1.2
89.83910	1.0
91.05481	3.0
93.07039	1.5
95.04962	2.5
95.08601	3.0
97.02887	1.0
97.10181	1.3
102.85840	0.9
105.07017	2.3
107.04957	2.0
107.08585	1.0
109.10202	1.0
111.04442	13.4
119.04942	1.1
119.08570	1.8
121.02846	3.4
121.06499	1.3
129.05469	31.3
131.04976	1.2
131.08591	2.3
135.11621	1.2
137.05910	2.0
145.10149	1.4
147.04387	2.0
151.07559	1.7
153.01868	4.2
159.11723	1.3
161.05954	1.7
163.29758	1.2
165.01953	1.4
165.09125	3.8
189.07608	8.2
213.05489	1.4
241.05000	1.3
258.05350	1.7
283.70166	1.1
287.05502	100.0
288.05774	2.5
299.05594	1.5
329.06561	1.8
344.60272	1.2
379.07886	1.2
383.22238	1.4
397.08963	1.6
457.25769	1.5
475.26767	5.7
475.32825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44181	1.3
55.05502	2.3
67.05505	4.3
69.03419	2.9
69.07072	2.8
69.45173	6.7
69.45596	5.6
71.04989	15.0
79.05495	5.0
81.07054	5.2
83.08655	2.3
85.02906	5.5
85.06546	6.6
86.90281	1.3
87.00819	1.3
91.05491	6.7
93.07033	10.5
95.04984	2.7
95.08607	9.5
97.02911	2.2
97.06534	14.6
101.62006	1.5
105.01851	3.2
105.07014	12.3
107.08595	14.4
109.02948	2.3
109.06503	8.0
109.10186	3.4
111.08080	4.1
117.07034	3.3
119.08566	9.0
121.10146	24.2
123.08069	4.1
127.03912	3.4
128.98598	1.4
131.08551	6.9
133.10127	89.1
135.08055	13.6
143.08543	2.8
145.04958	2.4
145.10153	4.9
147.11685	16.0
149.09660	2.2
149.13275	15.0
157.10138	1.9
158.10840	3.1
163.11223	2.2
173.13252	24.5
187.01366	1.6
191.14304	100.0
209.15369	6.8
281.10266	2.6
457.13901	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57225	1.8
53.03949	1.8
53.43214	1.8
55.05508	4.7
57.07057	2.0
64.28658	2.0
67.05507	6.2
69.03423	4.8
69.07053	6.4
69.73606	11.8
71.04993	11.9
79.05499	6.5
81.03423	3.2
81.07063	14.9
83.08597	3.5
83.60802	2.0
85.02902	8.0
85.06532	8.2
86.09702	3.5
87.00902	2.4
91.05462	8.7
93.07043	14.0
95.04960	2.8
95.08625	15.0
97.02899	3.4
97.06544	16.5
98.20682	2.3
105.01853	3.3
105.07044	14.4
107.08591	20.1
109.02911	3.9
109.03593	2.1
109.06523	19.8
109.10204	10.4
111.08047	4.2
112.50339	2.0
117.55338	2.2
119.08569	10.4
121.10154	28.9
121.16861	2.0
123.08076	5.3
127.03901	3.8
131.08562	7.0
133.10133	84.0
134.09683	2.4
135.08038	25.0
145.10120	5.2
147.11707	16.8
149.09541	3.9
149.13266	16.6
162.12788	5.7
163.11201	3.0
165.09087	3.1
173.13268	25.8
180.13849	6.3
191.14304	100.0
209.15404	14.0
253.55426	2.3
255.14502	5.5
302.24707	9.3
306.83154	2.1
320.25729	2.9
334.14163	5.7
366.61050	2.2
371.71423	2.2
399.18747	2.7
474.26126	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	474.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81783	1.0
56.96556	2.2
60.65734	1.1
62.06083	1.2
69.03432	1.3
70.06583	1.5
70.21840	4.6
84.08141	1.4
85.02885	4.2
86.09704	100.0
87.10026	1.5
93.79916	1.0
97.02901	1.9
98.97566	1.3
107.92780	1.0
109.02827	1.1
114.79159	1.0
127.03946	1.6
132.10204	81.6
134.99600	1.6
145.04964	2.5
146.99628	1.1
152.05687	4.4
170.99770	1.2
215.54926	1.1
237.02757	1.5
268.15775	1.1
356.08154	1.5
497.66251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27077	1.4
55.01865	3.1
55.05508	5.9
56.96563	2.6
57.07076	2.6
67.05501	15.2
69.03436	7.8
69.07057	8.0
69.69862	11.7
69.84808	1.6
70.06553	1.8
71.04987	31.4
73.61250	1.5
79.05489	8.1
81.03415	5.9
81.07067	18.0
82.07390	2.7
83.08609	3.6
85.02907	14.2
85.06549	7.2
86.09701	3.4
87.00851	3.3
87.74261	1.8
89.28819	2.1
91.05470	7.9
93.07054	9.4
95.04960	7.5
95.08604	20.0
95.17899	1.6
96.08933	2.9
97.02887	5.0
97.06541	6.7
99.04465	2.9
99.08089	2.6
105.07029	14.2
107.04973	1.7
107.08603	16.6
107.48646	1.5
109.02882	2.0
109.06519	72.8
109.10155	30.2
109.52783	1.5
110.10476	2.5
111.08060	2.6
117.07044	4.5
119.08578	10.0
121.06550	2.6
121.10152	17.2
123.08068	90.4
123.11665	3.7
124.12083	2.1
127.03913	6.6
128.06232	2.0
131.08580	28.1
133.10132	18.3
135.08052	35.2
135.11711	2.2
143.08569	2.7
145.04959	3.7
145.10115	6.9
147.11671	4.7
149.09595	4.5
149.13240	4.1
153.09064	1.9
158.10863	4.9
163.14877	1.9
165.09094	8.5
166.09370	2.3
173.03113	2.1
173.13268	35.3
174.08226	1.7
175.14828	2.1
178.65096	1.9
191.14307	100.0
192.14738	1.7
209.15352	36.5
271.06061	23.7
320.25830	2.2
337.97528	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.64425	0.9
55.01876	1.2
55.05506	2.2
56.96563	4.5
57.03434	2.0
58.99581	7.6
61.02913	1.5
67.05507	1.6
67.05848	0.9
68.05010	1.0
69.03431	5.9
69.07059	1.0
69.35056	3.5
69.35478	5.5
70.06608	4.7
72.08170	5.1
73.06522	0.9
75.05679	0.9
76.02229	39.0
76.03993	1.6
76.15348	0.8
79.05502	13.3
79.17182	0.8
80.05009	1.6
81.03415	3.7
81.07053	6.0
84.04509	16.5
84.08141	2.0
84.96027	1.4
85.02900	6.9
86.06073	2.4
86.09719	7.7
86.99044	2.3
87.10052	1.5
88.02224	2.3
91.05479	9.0
93.07044	21.8
95.04956	2.3
95.08607	11.8
95.93890	0.9
97.02896	3.3
98.97574	1.6
99.04465	1.2
103.05453	1.0
105.07046	7.6
107.04951	14.9
107.08608	6.7
108.05278	2.2
109.02888	1.7
109.10161	2.2
114.05554	1.3
116.01670	13.1
116.06226	1.3
116.98661	1.3
119.04942	2.4
119.08589	3.8
121.06512	1.9
121.10133	14.6
127.03928	3.4
127.08599	1.0
129.07018	1.7
130.04997	7.6
131.04942	1.6
131.08563	10.1
133.10173	1.6
137.06006	2.5
137.09616	1.5
142.03238	8.8
142.04961	1.2
144.01166	4.3
147.04411	8.3
148.05951	1.0
148.11189	6.6
149.09622	100.0
150.09944	2.1
150.12735	5.1
161.01292	1.4
162.02193	18.8
163.03911	3.5
166.12238	1.8
167.10704	5.2
170.02783	2.0
171.11729	0.9
174.12840	1.3
179.04857	21.5
187.05464	1.3
199.07799	1.1
204.13884	6.1
206.10049	1.1
208.14178	2.0
218.11861	2.9
219.01817	1.5
223.02760	1.1
224.11102	1.8
226.15280	1.5
232.13382	3.6
233.05920	6.7
239.08824	1.4
245.03711	1.4
245.05753	5.3
246.18927	0.9
247.07498	3.3
250.14337	2.6
252.10638	1.4
260.12787	2.7
273.05487	1.2
278.13889	3.8
291.06421	6.8
308.09125	15.1
309.12616	5.2
311.61459	5.4
320.62091	3.7
321.12161	2.2
327.13605	1.3
332.12869	2.0
332.62521	1.2
363.13928	1.4
381.14572	1.5
392.59683	2.4
392.64047	2.0
393.14438	1.6
394.17972	1.2
438.16968	37.4
439.17139	1.2
456.17981	18.1
474.20041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.4
56.96561	14.6
57.07077	4.6
61.02906	5.3
64.28551	3.0
67.05499	21.5
69.03415	6.9
69.07052	19.4
70.78767	3.8
70.79115	10.0
79.05494	16.4
81.07049	30.4
83.04974	5.3
83.08615	15.5
91.03934	3.8
91.05473	14.4
93.07041	27.5
95.04964	4.8
95.08608	63.1
97.02887	3.8
97.10137	3.2
98.98501	4.5
100.60244	3.6
105.07021	23.0
107.08603	47.7
109.06489	5.3
109.10175	36.4
111.08065	4.3
119.08583	68.2
121.10146	41.8
123.08076	3.7
123.11697	14.1
129.24995	3.9
131.08569	10.4
133.10135	27.2
135.08064	7.0
135.11697	34.0
136.93034	4.4
137.13213	3.9
139.11090	3.9
142.31841	3.2
143.08464	3.8
145.10127	28.3
146.99631	3.7
147.11684	20.9
149.09622	5.8
149.13274	14.2
154.94154	19.1
155.01053	5.3
157.10107	4.7
159.11676	16.8
161.13324	16.3
163.07529	9.5
163.14836	21.3
171.11740	4.2
172.95239	100.0
173.13242	14.7
175.14839	8.8
177.16397	7.5
185.13365	5.6
187.14778	31.0
189.16403	18.8
190.96271	61.6
191.17957	69.5
195.96852	9.2
199.14825	4.3
201.16464	24.8
203.17928	29.9
205.15950	8.5
205.19498	6.8
210.96886	10.1
213.16267	3.5
215.14078	4.1
217.19542	11.5
219.17416	8.8
228.97873	28.8
229.19424	5.6
233.15402	12.5
246.99004	6.4
247.17026	16.8
265.18015	9.0
273.18567	4.1
291.37350	3.8
319.19443	13.3
319.95770	3.7
324.11572	3.9
337.20538	25.4
391.33511	8.6
409.34659	60.4
427.35785	13.9
437.34030	11.1
455.18607	13.9
455.35297	25.8
470.27835	3.8
473.19806	99.9
473.26517	10.0
473.35663	13.1
474.20111	14.1
496.21490	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	473.3628
Annotation	Hispidone
Peak:m/z	Relative Intensity
55.05516	19.6
57.03430	53.5
57.81775	15.6
58.80071	13.0
67.05493	64.0
69.07067	41.7
71.59687	27.9
77.78100	16.0
79.05500	52.1
81.07051	76.6
91.05481	37.4
91.68310	15.0
93.07052	60.2
95.04966	23.7
95.08598	100.0
96.84152	15.0
97.06544	18.5
98.98460	51.0
105.07035	46.3
107.08577	84.5
109.10167	52.0
119.08564	74.0
119.31796	16.3
121.10155	65.5
123.11709	22.7
131.08539	32.9
133.10121	74.2
135.11739	26.3
136.99983	30.9
140.42400	16.4
145.10149	50.1
147.11739	47.2
155.01053	61.6
159.11629	21.5
161.13271	18.5
163.14862	21.8
172.95172	22.3
175.14938	23.1
187.14821	67.0
189.16403	23.0
190.96288	25.3
191.17989	51.6
201.16475	39.7
203.17947	27.7
211.03674	20.6
228.97868	17.8
337.20483	18.3
337.27417	21.4
409.34650	46.6
455.35184	29.4
473.20105	34.5
473.26709	54.5
473.34714	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	473.3627
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
55.05506	18.8
56.98064	6.7
66.16602	5.5
67.05499	25.5
69.07056	19.1
69.46598	51.7
69.47012	9.3
79.05489	24.8
81.07056	72.9
83.08606	6.7
91.05468	33.6
93.07040	47.3
95.04971	9.8
95.08607	92.4
97.06534	27.9
98.40405	6.5
105.07018	83.5
107.08585	68.7
108.39629	5.8
109.06531	8.9
109.10144	49.9
111.08110	8.8
119.08588	100.0
121.10126	68.8
123.07990	8.0
123.11714	21.6
131.08571	39.4
133.10138	75.9
135.08028	7.5
135.11702	24.1
137.09631	10.3
143.08566	15.3
145.10123	52.9
147.04401	8.1
147.11652	51.6
149.02394	12.1
149.13260	41.3
151.11171	6.9
157.10124	27.0
159.11710	59.5
161.13257	71.5
163.14850	20.4
171.11678	25.2
173.13280	44.8
175.14850	42.6
177.16405	16.0
185.13295	17.0
187.14761	35.2
189.16386	46.8
193.12244	7.7
197.13289	7.1
199.14835	23.9
201.16440	29.3
203.14288	9.1
203.17941	15.2
205.15959	11.1
207.17485	49.7
213.16443	10.4
215.17935	18.5
217.19507	11.0
219.17422	13.5
221.15379	24.3
229.15981	9.6
231.17455	15.8
233.19032	12.4
249.18486	14.2
397.31064	17.7
419.33060	22.9
425.34262	31.6
437.34201	76.7
455.35315	68.3
473.36435	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
53.79277	5.5
55.05511	15.7
64.81138	5.3
67.05505	30.2
69.07080	28.0
70.33250	12.4
70.33643	10.6
79.05498	25.8
81.07055	58.1
83.08640	10.7
91.05482	24.6
93.07043	50.0
95.04980	7.7
95.08602	88.8
95.36958	5.7
97.06538	14.6
97.10216	8.1
105.07034	70.7
105.57814	5.2
107.08586	57.4
109.06548	9.2
109.10139	44.8
110.98088	7.4
111.08100	5.6
117.07083	6.7
119.08569	100.0
121.10134	56.9
123.08093	10.0
123.11736	19.0
125.09584	6.8
127.04137	5.3
131.08588	25.5
133.10120	67.5
135.08063	6.4
135.11681	28.2
136.41646	6.6
137.09698	6.1
143.08537	12.3
145.10103	50.4
147.11711	52.0
149.02362	11.6
149.09554	5.8
149.13261	31.4
157.10152	21.0
159.11694	54.4
161.09691	6.7
161.13255	63.8
163.14851	16.8
169.10234	7.5
171.11703	17.4
173.13237	40.0
175.14784	32.0
177.16422	14.2
183.11639	8.1
185.13261	16.3
187.14838	23.0
189.16411	40.7
191.17949	6.1
193.04939	11.7
193.12227	8.6
197.13336	6.4
199.14900	13.7
201.16405	21.1
203.17964	24.6
205.15887	19.6
205.19254	5.4
207.17461	24.5
210.07056	6.5
213.16304	6.1
215.17941	12.8
217.19547	10.7
219.17480	9.9
221.15257	28.8
231.17458	16.2
233.19061	13.4
247.17050	6.9
249.18512	12.4
397.31012	17.0
407.33240	7.1
419.32947	14.1
425.34116	30.9
437.34152	55.5
455.35242	49.7
473.36777	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	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05506	3.8
57.07082	2.2
67.05499	5.3
69.07056	6.3
70.68982	3.2
77.87673	1.2
79.05489	4.7
81.07058	12.5
83.08598	3.1
91.05466	3.7
91.25462	1.3
93.07049	12.3
94.91433	1.1
95.08605	20.0
97.06541	1.5
97.10179	1.4
105.07021	10.0
107.08583	15.5
109.06512	2.0
109.10162	12.0
111.08087	1.9
112.29890	1.0
117.07021	2.6
119.08582	19.1
121.10147	11.0
123.08078	3.2
123.11707	4.1
125.09602	1.3
131.08574	5.4
133.10121	15.8
135.11693	15.1
137.09659	1.6
137.13245	1.6
143.08545	1.5
145.10086	8.4
147.11699	13.7
149.13222	6.5
151.11198	2.0
157.10165	2.1
159.11671	6.7
161.13213	6.3
163.14815	5.2
171.11678	2.6
173.13257	5.1
175.14799	4.6
177.16310	2.7
179.14360	1.8
181.35214	1.6
185.13249	2.7
187.14803	7.9
189.16373	15.1
191.17903	1.8
199.14864	3.3
201.16377	16.9
203.17987	8.9
205.15822	5.6
207.17455	14.3
213.16386	2.6
215.17989	4.8
217.19495	1.3
219.17554	1.3
221.19107	1.7
227.18196	1.2
229.19554	3.4
233.19139	1.3
241.19563	2.5
243.21098	2.2
247.16931	7.3
255.21027	6.9
257.22705	1.9
269.22617	2.3
301.21600	2.7
303.23260	1.4
315.23248	2.5
331.26340	5.7
357.28000	5.4
391.33499	2.9
409.34793	5.7
427.35724	100.0
428.36130	4.0
436.42029	1.1
437.34253	7.7
455.35211	4.6
473.25507	1.3
473.35071	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	473.3624
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
50.23948	2.9
52.96600	2.6
54.65798	2.0
55.05500	7.0
56.96548	7.0
61.02917	6.0
65.46829	2.4
67.05508	19.3
67.50629	2.3
69.03422	4.4
69.07064	13.1
71.59719	3.3
73.02919	3.2
79.05492	15.4
81.03394	3.3
81.07057	28.3
83.08601	5.6
85.02889	7.5
86.81399	2.4
91.03912	3.5
91.05471	12.8
93.07041	26.3
95.04903	3.6
95.08608	48.5
97.02872	5.1
97.31773	2.5
105.07017	28.1
107.08600	45.3
109.10148	31.1
111.08113	4.2
119.08572	50.6
121.10141	37.2
123.11676	11.7
131.08566	14.1
133.10129	29.7
135.11702	30.9
137.13249	4.4
143.08560	4.3
145.10106	22.3
147.11688	24.9
149.13254	15.8
153.08992	2.7
157.10117	10.3
159.11671	24.8
160.12193	2.9
161.13275	19.4
163.14874	14.1
171.11737	7.3
172.95221	3.0
173.13309	13.5
175.14821	17.3
177.16373	10.5
185.13264	4.8
187.14842	19.8
189.16377	25.3
190.96190	3.2
191.17964	18.5
199.14807	10.9
200.20078	5.9
201.16302	17.3
203.17958	17.3
205.19482	15.7
213.16318	5.1
215.17921	10.3
217.19484	6.4
227.17943	3.5
229.15898	3.1
229.19487	13.8
233.15395	11.4
241.07417	3.6
241.19511	6.1
243.09055	3.7
245.15358	25.4
247.16888	14.0
255.20987	3.4
256.26321	6.0
257.22641	5.8
259.08585	9.7
259.17001	5.3
261.18469	4.4
267.09195	3.8
269.22461	3.4
273.18442	4.9
275.20074	6.4
285.10120	10.5
286.10376	5.4
287.19989	5.9
289.21680	4.2
301.21512	7.3
303.23270	4.3
308.11581	2.8
324.61606	3.6
327.23230	3.9
329.24277	3.4
336.26364	3.4
341.24460	5.1
349.65997	3.9
391.33429	6.2
409.34415	10.3
437.34161	100.0
438.34521	2.9
454.71994	3.7
455.35016	13.9
473.35880	10.4
481.89859	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30379	3.7
53.03942	7.4
55.01860	6.3
55.03962	3.2
55.05505	20.2
56.96555	5.0
57.03432	4.8
57.07063	13.2
58.20454	3.0
61.02921	5.8
67.05505	38.8
69.03430	26.6
69.07070	47.1
71.04993	19.3
71.08618	4.7
71.60401	5.3
79.05479	23.3
81.03397	15.8
81.07059	95.6
83.04970	7.4
83.08640	26.2
85.02911	43.9
85.06548	19.7
86.09694	4.4
87.00802	4.9
87.04494	3.5
91.05466	19.7
93.07036	29.4
95.04961	12.5
95.08604	100.0
97.02882	12.2
97.06525	10.3
97.10164	19.1
99.04429	4.9
99.08086	14.6
105.01846	5.3
105.07030	23.1
107.04936	4.5
107.08595	30.4
109.02889	12.8
109.06519	50.4
109.09473	4.5
109.10161	59.8
111.04414	4.3
111.08082	13.5
111.11720	12.2
113.09613	4.1
116.98650	4.7
117.07011	6.8
119.08564	17.8
119.46676	3.3
121.06534	6.6
121.10133	29.7
123.08068	42.9
123.11707	25.4
125.09650	4.6
125.13251	5.2
127.03899	13.0
129.05435	3.9
129.07004	5.7
131.08551	22.2
133.10130	18.5
134.99635	3.2
135.08026	21.2
135.11678	11.4
135.24181	3.8
136.88087	3.4
137.05989	4.7
137.09590	9.2
137.13258	14.4
143.08510	7.0
145.04939	8.1
145.10158	17.7
147.11679	13.5
149.09659	4.1
149.13254	7.9
151.07553	8.3
151.11221	5.7
151.14813	7.6
153.09140	4.7
157.10124	5.0
159.11644	10.8
161.09648	4.2
163.11150	5.6
163.14819	9.3
165.09122	45.9
171.11641	5.4
173.13298	18.2
175.14758	4.2
185.13063	4.0
187.14816	6.1
189.12766	7.6
191.14293	59.9
199.11259	3.7
205.12206	9.2
207.13753	9.4
209.15366	33.2
225.14865	7.9
243.11403	4.3
261.85870	3.5
271.12094	9.6
275.27271	4.1
293.28308	6.6
307.96631	3.5
311.29568	5.2
352.10434	3.8
377.30756	4.2
383.11191	5.6
401.30618	5.8
419.31241	3.8
437.32266	4.5
473.14163	4.3
473.23898	25.6
486.22583	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05514	14.6
56.96566	5.8
57.03436	55.4
57.07064	4.0
59.45780	1.1
61.02922	1.6
65.03933	3.1
67.05505	67.5
68.16872	1.2
69.06715	1.5
69.07072	14.2
69.48218	10.9
71.08621	2.0
71.24823	1.2
72.76113	1.2
79.05492	17.5
81.03401	1.5
81.06573	3.0
81.07057	61.7
82.56158	1.4
83.04971	2.0
83.08626	10.1
85.02909	1.7
91.05492	12.1
93.07049	18.5
95.04974	4.1
95.08610	49.2
97.06557	2.5
97.10179	3.1
98.98466	100.0
99.08086	1.5
105.07031	8.1
107.08596	9.0
109.10148	19.0
116.99493	5.4
119.08534	5.9
121.10126	6.9
123.11713	5.9
133.10159	6.3
135.11679	5.8
136.93120	3.5
136.99992	69.5
137.13266	4.1
145.10152	1.8
147.11668	4.2
149.13286	3.9
151.14799	2.4
154.94153	9.4
155.01042	99.3
161.13257	2.9
163.13371	1.4
163.14821	4.0
172.95235	49.9
172.96745	2.6
190.96275	33.8
193.02632	12.4
195.96870	3.7
203.17891	1.9
210.96841	4.9
211.03653	33.7
213.97906	1.7
228.97827	15.3
245.22739	6.6
246.98880	3.1
263.23694	8.7
319.19614	8.1
319.26300	2.8
337.20734	17.7
337.27332	45.0
338.27631	1.7
339.22086	4.9
357.23090	8.8
360.22250	3.9
375.50620	1.7
455.18692	7.7
473.19702	55.2
473.26651	68.8
474.20615	2.7
474.26587	1.5
496.21100	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39333	0.3
53.03930	0.6
55.01860	0.4
55.05267	0.6
55.05510	8.2
56.05829	0.7
56.96555	0.6
57.03421	0.8
67.05498	1.4
69.03432	1.7
69.07061	0.9
71.00962	0.6
71.04968	0.3
72.08159	0.3
73.02912	0.4
79.05497	1.4
81.03412	1.4
81.07045	2.4
82.06592	1.3
83.04968	0.8
83.06915	0.3
83.08611	2.7
84.08109	0.4
85.02901	2.3
85.06541	0.6
86.09697	0.5
87.00820	1.0
87.04444	0.4
89.06030	0.5
91.05472	2.0
93.07042	1.6
95.04972	0.6
95.08598	1.0
96.08127	0.3
97.02910	1.4
97.06497	0.4
98.09682	0.9
99.04446	0.6
100.07617	0.6
100.11249	7.2
100.11874	0.5
101.11559	1.1
105.01884	0.7
105.06370	0.5
105.07026	5.5
107.04973	1.7
107.08591	1.5
109.02871	1.6
109.06503	0.8
109.10154	0.9
110.06026	0.8
111.04442	1.1
111.08051	0.4
117.07008	0.4
119.08569	5.2
121.06493	0.6
121.10149	1.2
123.08042	1.6
123.11674	0.7
127.03893	2.2
127.08697	0.4
128.07097	0.7
131.08545	0.5
133.08528	0.4
133.10144	0.7
135.08038	1.5
135.11665	0.6
137.09604	0.9
138.51707	0.3
139.08665	0.6
145.04988	0.3
145.10139	0.6
147.11685	9.4
149.09607	1.0
151.07544	1.0
151.11195	0.5
159.02945	0.5
159.11790	0.4
161.01129	0.3
161.13284	0.5
163.11218	0.7
164.14388	0.3
165.09164	0.5
165.12740	10.3
166.13121	0.5
166.15906	0.9
170.58128	0.4
171.11658	0.3
177.11270	0.3
177.12762	0.6
179.14368	0.4
181.12245	0.3
182.15401	2.2
183.10954	0.3
183.15646	0.3
184.02808	1.6
187.09958	0.4
187.60199	0.4
189.12743	0.6
191.60484	0.4
199.11159	0.3
201.12167	0.3
202.03893	0.7
207.13776	9.4
209.16505	0.8
210.14969	1.4
211.15259	0.4
214.63283	0.5
215.64145	0.4
225.14853	0.8
226.19135	0.6
228.13834	1.0
228.64049	1.1
231.05080	0.4
237.14261	2.5
237.64517	1.9
238.14435	0.3
244.09676	0.4
246.14943	1.1
246.65051	1.7
247.15150	0.3
250.65410	0.4
259.14954	0.4
264.13812	0.8
265.12222	1.0
266.10529	0.4
269.68027	0.4
277.69211	0.3
278.18365	0.5
278.68332	0.7
279.18231	0.5
279.67432	0.4
283.13229	1.7
284.11484	0.4
287.18710	0.7
287.68921	0.4
291.67868	0.5
300.18427	0.5
300.68381	0.3
308.12717	0.8
308.69467	0.3
309.10965	0.4
320.22101	0.4
323.71561	0.4
326.13879	0.6
332.71866	0.4
341.22144	0.7
341.72394	1.4
350.72797	1.8
351.22699	0.3
355.18201	0.5
356.16571	0.5
357.16730	0.4
359.23843	0.3
359.73364	0.4
374.17694	1.0
387.49646	0.3
409.21802	0.4
409.28207	0.4
413.76785	0.3
414.27274	0.3
427.79379	0.5
436.79855	1.4
445.80212	4.1
446.30240	1.5
454.80789	7.2
455.31079	2.0
455.81058	0.4
463.81357	9.4
464.31433	3.2
464.81738	0.4
472.31760	3.1
472.81842	100.0
473.12430	0.7
473.19940	1.7
473.32010	31.6
473.82043	5.4
474.28775	0.4
491.29791	0.4
492.28906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	4.4
55.05504	7.7
56.96561	6.8
57.07071	5.8
67.05504	28.0
69.03417	15.4
69.25127	3.5
69.45560	33.5
70.06591	6.4
72.08151	8.6
79.05480	4.6
81.03402	10.1
81.07036	6.8
81.52100	3.4
85.02905	28.4
85.06524	11.6
86.09695	16.5
87.00832	10.6
87.04496	5.2
91.05467	7.6
93.07030	10.2
95.04933	6.2
95.08604	95.3
97.02888	10.4
98.97559	4.0
99.04452	5.0
105.01856	12.4
105.07020	15.1
107.08561	17.2
109.02860	8.6
109.06514	6.8
109.10187	3.1
111.08028	3.9
113.05988	16.1
119.08568	23.7
121.06441	5.5
121.10157	10.0
123.08076	33.0
123.11716	5.3
127.03937	17.5
129.10184	3.7
131.08566	4.6
133.10075	7.3
135.07974	3.8
135.11670	14.4
137.09570	7.4
145.04901	4.0
145.10135	4.4
147.11661	14.6
149.09618	43.0
151.07545	5.4
151.14795	4.5
161.13251	14.3
163.11172	10.3
165.09079	4.6
165.12758	10.5
179.14421	6.2
189.12762	32.3
197.04791	4.6
207.13794	100.0
209.08165	4.7
215.05835	7.7
225.14864	8.3
303.18765	4.0
311.14767	6.1
359.09805	3.9
387.43268	4.7
473.18839	13.0
473.24121	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38176	9.0
57.07101	8.5
62.22689	10.3
65.42954	8.6
67.05483	14.7
69.03427	13.8
69.38094	78.0
69.38499	22.1
70.06599	59.2
72.08125	11.3
81.03394	10.1
85.02893	53.4
86.09692	100.0
87.00809	15.2
90.64657	10.1
93.07076	14.8
95.04961	9.8
95.08603	91.5
98.97559	10.1
99.04443	12.0
105.01854	11.6
105.07042	23.3
107.08615	22.5
109.02877	14.6
109.06511	9.5
113.06017	14.9
119.08568	20.4
121.06476	10.5
121.10135	20.0
123.08117	63.5
127.03909	26.1
133.10124	19.4
135.11679	12.7
147.11684	20.7
149.09598	39.1
159.03029	9.7
163.11148	58.8
189.12778	30.7
195.96970	9.1
199.18089	22.8
207.13808	99.7
225.14963	17.7
229.15384	15.3
243.52757	12.5
458.16458	10.1
473.18887	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92514	3.6
53.03944	6.7
55.01874	9.1
55.05503	8.1
56.96558	15.0
57.03424	5.3
57.06532	3.5
59.05009	6.1
61.02904	4.2
66.17558	3.9
67.05492	6.1
69.03445	28.1
69.07041	7.5
69.89069	21.3
71.04989	14.8
79.05492	12.6
81.03417	21.7
81.07050	15.3
83.04973	5.8
83.08617	5.2
84.04501	8.0
84.96068	6.9
85.02914	45.7
86.09726	6.3
87.00828	11.3
87.04463	7.9
91.05482	10.9
93.07059	15.5
95.04974	22.4
95.08592	13.6
97.02892	18.5
97.06541	10.9
97.15133	3.8
99.04449	22.5
99.17836	4.1
105.01850	8.8
105.07013	21.4
107.04960	61.5
107.08598	59.4
109.02879	17.5
109.06519	81.4
113.09633	4.0
117.06915	4.4
119.08570	15.9
121.06508	5.1
121.10131	39.3
123.08070	72.4
123.11735	20.0
125.06018	8.7
125.09630	18.8
127.03929	30.4
131.08562	12.8
133.10136	6.2
135.11725	5.8
137.13264	5.6
139.11198	8.2
145.04935	5.2
145.10146	9.4
146.58784	3.8
147.08051	7.6
147.11691	41.1
149.09625	81.4
151.07561	11.7
161.13374	6.6
163.11237	7.6
165.09129	6.2
165.12784	20.3
167.10667	25.6
171.11687	9.9
179.14325	18.0
183.13747	5.0
189.12704	15.6
207.13803	100.0
211.02805	4.4
219.01797	5.6
225.14897	42.0
227.02118	4.7
231.04912	6.9
231.70708	4.6
245.03322	9.5
249.14818	8.0
251.02405	8.0
269.03311	5.7
335.04453	3.9
392.09351	26.6
392.59470	13.2
437.18710	5.5
473.20557	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.6
55.05485	3.2
64.45984	2.5
67.05505	6.7
69.03413	12.4
69.07041	4.7
70.06551	4.0
70.95717	4.1
70.96047	4.5
71.04977	12.2
72.08159	6.2
72.32439	2.8
79.05498	4.5
81.03397	10.5
81.07050	6.5
85.02905	24.7
86.09695	13.4
87.00822	7.2
91.05461	8.6
93.07032	11.5
95.04938	5.0
95.08588	5.7
97.02868	8.8
97.06525	4.3
99.04434	6.9
105.01869	6.2
105.07014	20.8
107.08551	7.2
109.02857	8.9
109.06537	4.6
109.10136	14.0
119.08572	12.5
121.10126	29.5
123.08100	4.4
123.11702	3.6
127.03925	15.5
131.08569	6.2
133.10091	6.6
135.08009	4.3
135.11713	7.9
137.09608	33.6
143.08545	3.2
145.04955	4.7
145.10114	4.2
147.08035	6.0
147.11653	14.7
149.09615	100.0
151.07565	3.1
159.02872	6.5
161.02814	2.6
161.13229	17.5
171.11760	6.2
189.12706	36.6
207.13812	45.6
225.14873	66.8
231.05025	3.1
269.12512	5.0
293.26553	6.0
311.14648	13.2
402.61655	3.2
455.31982	5.0
473.13495	5.1
473.19919	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1978
Annotation	Paleatin A
Peak:m/z	Relative Intensity
56.96561	8.5
67.05485	0.7
69.81055	0.6
69.81477	1.7
71.95260	1.0
79.85756	0.3
80.39778	0.3
81.07063	0.4
84.95998	0.4
85.96199	0.3
95.08581	0.5
102.60835	0.4
102.92616	2.6
107.08623	0.5
110.97630	0.5
118.92064	0.9
123.01215	0.4
128.98592	1.3
131.00130	0.5
136.93088	5.6
146.99635	1.0
154.94162	24.6
155.03801	0.5
155.45847	0.3
161.01297	0.7
165.00719	0.6
171.03120	0.4
172.95229	77.1
174.95732	0.5
177.95767	1.3
189.04314	0.4
190.96277	52.1
192.95715	0.8
195.96812	6.2
195.98447	0.6
198.96843	0.8
203.05905	0.6
208.97360	1.8
210.96799	9.1
212.98358	1.0
213.97873	3.8
214.96201	0.8
216.97794	0.8
218.13361	0.4
228.97841	28.7
229.86823	0.3
230.99362	1.1
233.98381	1.3
246.98901	7.7
251.99434	3.1
270.00446	0.4
317.17755	0.8
318.18143	0.3
319.19394	15.6
320.19812	0.6
335.19055	1.8
337.20480	35.8
338.20795	1.4
353.19910	0.5
355.21463	1.8
357.21152	0.6
360.22049	4.7
373.18179	0.5
375.21970	0.6
381.15408	0.6
399.16150	2.3
413.17636	1.0
417.17358	1.6
455.18631	16.7
473.19757	100.0
474.20105	4.3
491.21191	0.4
496.21335	8.5
497.21808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26702	0.4
59.44186	0.5
63.23597	0.4
67.41804	0.4
69.03369	0.5
69.18758	0.4
69.62522	1.5
69.62939	1.9
70.13811	0.5
70.91386	0.5
79.85574	0.4
84.04502	4.7
85.02901	2.1
85.04794	0.8
86.09681	1.1
89.60151	0.4
95.04904	0.5
107.04295	0.8
107.04953	10.5
108.05300	3.5
109.10164	0.5
126.05474	1.8
127.03899	0.4
149.09604	0.7
163.11079	0.7
207.13710	0.8
220.10120	0.5
237.07526	0.6
238.07771	0.6
249.14713	2.3
251.12505	1.4
260.09106	0.7
261.09543	1.4
293.13538	1.0
311.14642	100.0
312.14944	3.1
320.11349	0.6
349.13916	0.5
473.19965	43.2
474.20218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26204	0.9
53.91789	1.1
55.01866	1.3
55.38486	0.9
55.59531	0.9
56.96562	23.4
60.44689	1.0
67.05457	1.1
69.03430	5.3
70.06590	6.6
71.21418	1.2
71.21764	1.9
72.08146	2.1
81.03417	3.4
81.07053	1.1
82.06580	1.3
83.06110	1.2
84.08157	1.5
84.69485	1.2
84.96040	7.2
85.02893	8.1
86.09701	4.7
87.00810	1.8
91.05453	1.7
97.02901	3.7
98.96926	2.3
98.97575	33.3
101.07150	1.2
102.97052	1.4
105.07047	1.5
107.04994	1.3
109.02864	2.1
110.97547	10.6
111.04446	1.1
112.99101	1.3
116.98610	31.7
121.10131	2.5
123.08049	1.3
124.07603	2.6
127.03900	4.8
128.98598	32.2
129.10223	2.2
131.00171	5.0
132.08058	1.2
134.99661	25.3
136.07474	1.3
138.09155	1.5
143.00177	1.4
146.98471	2.1
146.99651	41.9
149.01248	4.5
151.07550	3.5
151.76540	1.2
153.00725	3.4
158.99654	3.5
160.07588	2.6
161.01247	5.0
161.07939	1.6
161.09579	1.0
162.99127	2.6
163.11191	5.0
165.00684	7.2
165.12842	1.3
167.06973	1.8
170.01274	1.9
170.99629	4.4
177.00719	5.6
179.08885	1.8
181.12126	1.4
189.00702	9.7
189.12715	1.8
191.00139	1.2
195.01714	1.7
197.01318	1.5
201.00751	4.3
207.13780	3.9
213.00735	3.3
213.11218	1.3
219.01752	25.7
223.02782	3.7
225.14891	3.1
227.02289	11.4
228.03043	6.1
228.13536	1.4
237.02812	92.0
241.03827	14.7
242.00972	2.7
242.03212	1.5
245.03325	5.4
254.04701	2.0
255.03815	9.6
256.19781	1.1
259.04904	3.1
260.04443	3.7
267.05359	14.5
269.06931	6.0
272.05679	16.5
276.12381	4.1
285.06448	4.4
287.08023	35.3
288.05276	1.6
290.06750	14.8
294.13248	2.1
305.03497	1.2
305.09073	4.4
310.09430	1.4
311.07965	5.0
311.16299	1.2
315.07526	2.2
323.07913	3.0
325.09485	1.2
329.09079	8.5
332.05682	1.2
335.08075	1.4
341.09106	4.6
347.08075	1.8
350.06744	7.9
353.09204	5.4
355.10849	2.4
365.09094	4.6
371.10123	2.0
383.10233	2.7
395.10034	1.9
398.08835	1.9
413.11160	100.0
414.11572	2.6
416.09952	5.3
431.12314	17.8
437.15778	1.6
454.13849	3.7
473.13113	28.5
473.19601	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	21.2
56.96567	18.3
57.03421	29.5
61.02917	25.6
67.05503	47.6
69.03422	12.6
69.07082	18.8
71.61488	8.6
73.02895	15.0
79.05473	18.1
81.03424	11.6
81.07040	34.7
85.02898	37.1
86.09702	100.0
91.03951	20.0
91.05483	11.6
93.07035	17.1
95.08601	38.8
96.08969	9.5
97.02847	18.0
98.98448	30.5
105.07021	9.4
107.08593	13.6
109.10145	20.5
119.08657	8.8
121.10103	9.0
123.04356	8.4
123.11673	10.0
127.03921	9.2
133.10117	16.4
136.99977	24.8
147.03058	8.8
151.10973	8.2
155.01012	23.9
157.09984	8.5
172.95255	15.2
174.98763	10.0
181.79842	7.9
186.14864	62.5
189.00558	15.7
205.11961	8.0
211.03639	8.2
214.14430	26.9
239.05930	17.1
257.06976	35.6
258.07367	10.9
275.08066	13.2
280.08530	8.9
314.19559	12.1
323.60950	9.9
335.25668	9.5
337.27390	12.9
364.79440	8.7
387.53143	8.2
399.28369	27.3
427.22681	10.3
472.34894	42.0
473.19730	17.8
473.26178	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	472.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99200	0.3
52.71611	0.4
53.03942	0.6
55.01858	0.5
55.05509	0.6
56.05029	2.9
56.96569	0.5
57.03429	0.8
60.04499	0.4
67.05493	1.0
69.03417	1.5
69.07063	1.1
70.06593	3.6
70.77854	0.8
70.78253	0.8
71.01347	0.4
71.04990	0.6
72.08148	2.0
73.02933	0.5
79.05495	2.1
81.03389	2.0
81.07047	2.0
83.06092	0.4
84.04503	44.8
84.08153	2.3
84.96006	0.5
85.02905	11.6
86.09698	7.3
88.02191	0.4
88.04008	0.6
88.04550	0.4
91.05473	2.5
93.07048	3.0
94.04205	0.4
95.04984	1.9
95.08607	2.5
96.04485	1.0
97.02903	2.0
97.06534	0.4
98.06070	1.0
98.97592	0.4
99.04451	1.1
100.07610	0.5
102.05544	0.5
103.03948	0.8
103.05473	0.4
105.07018	3.9
107.04952	100.0
107.08597	2.6
108.04513	0.8
108.05283	2.0
109.02880	1.2
109.10168	2.4
110.06046	0.8
111.04416	0.6
115.56549	0.3
116.98637	0.5
117.07011	0.9
119.04908	0.7
119.08604	2.4
120.08081	1.4
121.06516	1.7
121.10125	1.8
122.02707	0.6
122.06058	0.5
123.04448	0.4
123.08083	0.4
124.03919	0.6
126.05514	16.8
127.03886	1.8
129.07024	0.7
129.10220	1.1
131.08578	1.6
133.10121	1.6
135.02672	0.5
135.08054	1.2
135.11700	0.8
136.07587	0.7
137.09630	1.4
141.06949	0.5
143.08549	2.3
143.11769	0.5
145.04961	0.4
145.06493	0.6
145.10117	1.7
147.08003	0.6
147.11711	1.8
149.09676	0.7
150.05533	2.3
153.05527	0.4
155.08533	0.9
156.06555	0.5
156.09239	0.4
157.10118	1.6
159.07980	0.4
159.11661	1.9
160.04378	0.4
161.09608	1.2
161.13271	1.2
163.11270	0.5
167.08482	0.5
168.06526	3.3
169.06483	0.4
169.10124	1.3
171.08044	0.5
171.11636	2.0
173.13319	1.1
175.11234	0.4
177.00639	0.4
177.05634	0.4
177.12762	0.6
181.10153	0.7
182.11244	0.4
183.11549	0.6
185.09554	0.4
185.13240	1.4
186.07623	3.2
187.11040	0.7
189.12654	1.2
193.10104	0.4
195.06540	1.0
195.11681	1.0
196.31856	0.4
197.06099	0.9
197.13264	1.3
199.14821	0.9
199.18069	0.8
201.12535	0.5
204.08771	0.4
207.13795	2.8
209.13280	1.3
211.02682	0.5
211.14853	1.4
213.12846	0.4
213.16237	0.9
215.07008	0.6
219.01828	0.7
219.06503	1.9
223.14966	0.9
224.13649	0.7
225.16502	0.6
237.07587	8.3
239.17902	1.6
241.19579	3.2
245.03484	0.5
249.16307	0.6
251.17973	5.3
253.19507	1.8
260.09189	15.0
261.07465	2.7
267.17209	0.4
269.18985	8.0
271.15167	0.4
273.13187	0.7
273.16672	0.7
283.15097	1.2
284.19641	1.1
287.20071	0.9
297.18488	8.1
301.16174	3.6
302.10263	5.3
310.17230	0.5
315.19611	2.0
320.11273	6.8
325.07779	2.1
329.15695	1.7
338.12384	1.8
345.59180	0.4
347.16742	1.2
348.92499	0.4
365.18076	0.5
371.11087	0.6
373.18201	0.8
390.20990	3.3
401.17734	0.7
418.20395	5.5
419.18875	1.2
429.21280	0.5
436.21509	8.8
437.20288	0.8
454.22470	3.5
455.19040	0.9
472.16519	0.7
472.23090	1.4
473.19955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05508	36.9
57.03428	6.5
57.07064	5.9
61.50648	5.3
67.05511	47.4
69.07066	32.1
71.60175	10.0
73.38831	5.2
79.05493	20.1
81.07048	69.0
83.04967	5.7
83.08611	28.1
91.05475	27.7
93.07054	36.9
95.04964	7.8
95.08602	73.7
97.06518	8.2
105.07015	34.2
107.08595	56.1
109.06483	8.4
109.10154	44.7
111.08072	8.0
117.07017	11.8
119.08575	100.0
121.10128	49.9
123.11671	14.0
129.06956	6.6
131.08568	27.2
133.10149	51.2
134.98190	89.9
135.08057	9.5
135.11707	22.2
143.08469	6.4
145.10124	51.9
147.11722	31.0
149.13246	9.5
157.10091	13.2
159.11739	33.0
161.13188	28.3
163.07530	13.5
163.11217	24.7
163.14853	16.6
169.10062	8.5
171.11653	8.0
173.13269	36.1
175.14812	17.4
177.12790	9.5
177.16379	12.6
185.13246	11.5
187.14818	55.0
189.00111	8.1
189.16370	31.8
199.14919	8.1
201.16443	38.7
203.17914	17.8
205.15848	43.2
207.17433	13.7
210.13789	6.5
219.17476	32.6
233.15320	8.4
247.16991	14.4
250.39867	6.4
265.17776	8.5
275.27896	7.8
298.99911	6.6
337.27396	46.5
359.25433	13.8
407.33060	92.1
409.34567	8.0
425.34198	86.4
426.21890	7.6
426.34500	6.0
453.33493	22.2
471.24738	59.5
471.34924	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	471.347
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05511	2.0
56.42735	0.4
56.96554	0.7
57.07071	0.9
59.04990	0.3
61.02924	0.7
67.05509	3.9
69.03410	0.8
69.07066	3.1
69.92338	1.5
69.92742	0.7
73.02896	0.5
75.04502	0.5
79.05495	2.4
81.06584	0.4
81.07053	5.7
83.04981	3.3
83.08631	1.6
85.02934	0.8
86.37600	0.4
91.03962	0.4
91.05460	2.2
93.07042	6.0
95.04965	1.6
95.08603	8.9
97.02878	0.8
97.06558	1.0
97.10170	0.6
105.07032	7.5
107.08591	9.0
109.06528	1.2
109.10155	4.6
111.08092	0.9
117.07011	0.8
119.08587	9.7
121.06525	0.6
121.10143	6.8
121.11007	0.5
123.08059	0.9
123.11723	3.7
125.09619	0.7
129.07011	0.6
131.08586	2.4
133.10123	4.3
134.10539	0.3
135.08075	1.1
135.11703	5.9
137.13216	1.1
139.07524	0.4
141.06993	0.8
143.08540	2.2
145.10138	3.2
147.08029	0.9
147.11687	4.2
149.09624	1.5
149.13240	1.9
153.09166	1.0
155.08569	1.2
157.10152	2.1
159.08061	0.8
159.11693	2.6
161.09608	2.5
161.13202	2.5
163.11142	0.8
163.14844	1.3
165.12697	0.4
169.10173	0.8
171.11684	2.3
173.09645	0.7
173.13266	3.2
175.11237	1.1
175.14822	6.9
177.16431	1.6
179.14336	0.7
183.11725	1.7
185.13277	1.0
187.11206	1.2
187.14836	3.1
189.12724	0.7
189.16385	12.6
190.16844	0.5
190.96277	0.4
191.17903	1.7
193.15845	0.7
197.13281	1.6
199.14818	3.5
201.12784	0.8
201.16408	1.2
207.17517	1.4
211.14836	1.3
213.16432	1.0
215.14362	1.2
215.17989	0.7
217.15855	6.5
218.16116	0.4
223.14810	0.4
225.13176	0.3
225.16299	0.7
227.17943	1.2
229.15993	0.7
229.19548	0.9
231.17607	0.5
235.16922	5.7
239.17953	0.5
241.19562	0.6
243.09201	0.6
243.21100	0.8
253.19498	2.3
257.06924	0.6
257.19043	0.9
259.17014	0.5
267.20975	0.7
271.20596	4.7
283.08475	0.5
285.22095	0.8
299.20187	0.4
301.09586	0.5
317.21164	1.4
407.33041	1.5
425.34210	9.7
425.40021	0.5
426.34668	0.6
435.32785	0.5
453.33621	0.9
471.34720	100.0
472.35010	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80334	3.0
53.03928	4.3
55.05518	19.0
57.07059	3.5
67.05213	3.9
67.05506	36.6
69.03378	3.2
69.07063	18.7
69.96242	6.9
69.96654	14.1
70.06599	3.7
71.08611	3.6
79.05498	25.4
81.07055	58.8
83.08609	7.3
84.08118	7.5
85.06541	4.4
91.05463	22.5
93.07040	53.2
95.04964	9.7
95.08601	100.0
95.29204	3.4
97.06530	6.7
97.10179	5.2
105.07027	50.9
106.48801	3.4
107.08595	60.0
109.06516	9.0
109.10159	41.2
111.08071	26.8
113.06046	3.8
117.07004	9.9
119.07797	4.3
119.08577	58.7
121.10136	46.4
123.08036	13.1
123.11682	15.1
130.07729	4.4
131.08569	19.4
133.10124	50.7
135.08031	12.3
135.11700	30.4
137.05859	3.5
137.09619	6.5
139.07571	3.5
139.11176	5.9
141.06940	4.0
143.08560	8.0
145.10109	33.9
147.11690	30.0
149.09601	9.6
149.13242	39.3
151.07579	5.1
151.11185	6.4
152.68253	3.2
156.09308	4.8
157.10117	18.8
159.11699	32.1
161.09612	8.8
161.13248	30.0
163.11127	6.7
163.14786	12.4
171.11696	14.9
173.13234	22.2
174.10239	4.0
175.11206	5.9
175.14803	14.0
177.16418	10.5
179.14160	4.3
183.11717	7.3
185.13245	14.0
187.11121	5.0
187.14804	24.4
189.12740	6.3
189.16345	20.0
191.14270	4.8
191.17990	4.5
195.11839	4.5
199.14815	9.3
201.16365	13.3
203.14282	8.4
203.17963	13.4
205.15921	8.8
207.17419	12.5
209.13179	4.3
211.14897	4.3
213.16341	8.2
215.14236	5.4
217.15894	8.0
219.17451	12.4
221.19017	5.7
223.14651	4.1
225.16422	6.4
227.18027	4.0
229.15901	6.1
231.51704	3.5
233.18935	3.3
237.14661	4.0
241.15781	3.9
245.15480	4.6
247.16959	11.8
259.16943	8.3
277.17905	6.2
353.28558	3.9
355.23160	5.7
373.23438	18.3
395.29340	3.9
413.30402	4.8
423.32562	10.2
435.32437	12.9
441.33768	16.4
453.33734	29.3
471.20532	9.1
471.28650	4.6
471.34937	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.00348	9.6
55.05495	34.0
57.07051	15.0
58.94344	9.1
67.05502	51.3
69.07063	57.4
71.60287	15.0
74.02094	10.6
79.05475	23.5
81.07070	45.7
83.08617	34.9
91.05463	35.7
93.07041	45.7
95.08607	87.2
97.10162	14.7
105.07009	36.8
107.08584	87.5
109.10143	57.5
117.07082	13.3
119.08563	100.0
119.43471	8.8
121.10143	72.1
123.08144	11.7
123.11679	19.9
131.08533	37.7
133.10115	53.3
135.11684	25.0
137.09593	11.4
143.08493	20.8
145.10114	45.1
147.08133	10.0
147.11638	31.2
149.09555	10.0
149.13251	31.1
151.82574	9.9
153.09015	15.2
157.10094	17.2
159.11687	28.6
161.13246	15.7
163.14867	16.9
167.10719	19.4
171.11644	11.6
173.13263	25.6
175.11177	11.8
175.14743	32.1
177.16344	19.5
181.12210	12.8
185.13313	15.9
187.14783	89.5
189.16342	72.5
201.16467	50.2
203.17928	26.9
209.15419	9.6
213.16399	11.6
215.17935	18.1
229.19492	12.1
235.16893	30.7
237.18633	10.4
247.16765	16.6
249.18559	10.2
261.18402	9.9
283.24185	15.9
351.05527	11.1
355.26205	10.9
407.32889	37.1
420.89841	9.9
425.34140	82.8
435.32233	17.2
443.35251	24.8
453.33435	34.9
471.24426	10.4
471.34735	89.8
471.82962	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	471.3467
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
51.72805	2.3
52.72807	2.4
55.05487	6.5
57.07064	3.3
58.67524	2.3
67.05503	5.3
69.07059	8.7
69.21146	2.7
71.59497	2.5
71.59929	3.2
76.19139	2.4
79.05474	4.1
81.07066	13.7
91.05494	8.4
93.07042	10.3
95.08605	16.4
105.07037	12.8
107.08582	14.6
109.10146	10.9
119.08566	24.9
121.10114	15.1
123.08070	6.7
123.11720	4.9
131.08577	10.6
133.10095	15.9
133.32510	2.4
134.35938	2.4
135.08025	4.5
135.11667	4.1
140.56018	2.4
145.10138	19.3
147.11739	12.3
147.84822	2.4
149.09630	2.9
149.13289	4.1
157.10199	3.8
159.11690	8.5
161.13237	8.0
163.11153	9.2
163.14812	6.7
163.21069	3.2
171.11725	4.2
173.13272	9.7
175.14836	4.6
177.12772	3.3
177.16335	3.4
183.11719	3.1
185.13283	4.9
187.14803	13.5
189.16354	7.4
201.16444	19.2
203.17924	3.7
205.15872	17.8
213.16365	4.2
219.17407	7.1
247.16934	6.5
255.21114	5.5
308.64453	2.6
329.24692	7.8
355.26245	4.6
379.30157	3.4
384.21744	2.7
407.33093	12.5
425.34128	100.0
426.34229	4.4
453.33911	4.3
471.34470	19.2
485.70349	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Aceriphyllic acid I
Peak:m/z	Relative Intensity
51.19704	1.5
53.03937	3.3
55.05504	12.5
57.07074	2.5
67.05168	2.2
67.05507	31.5
69.03423	5.6
69.07069	15.0
69.54446	13.1
71.04997	1.7
73.34583	2.0
79.05492	19.3
81.03419	3.5
81.06577	3.3
81.07057	63.5
83.08615	6.5
84.42198	2.0
85.06525	2.7
91.05475	18.5
93.06459	4.0
93.07042	60.8
95.04980	4.8
95.08607	100.0
97.06513	2.7
97.10123	2.3
99.08080	2.4
105.07026	45.8
107.04953	4.2
107.08597	76.5
109.06522	5.1
109.10155	70.3
111.08074	31.1
115.05534	2.3
117.07001	6.8
119.08581	59.6
119.37985	1.9
121.06556	2.6
121.10144	52.5
123.08070	5.6
123.11715	24.2
125.09599	3.4
127.03909	2.5
128.08260	2.1
129.07010	3.1
131.08572	20.8
133.10124	47.3
135.08070	6.3
135.11694	32.2
137.05992	2.6
137.09624	4.3
137.13245	6.4
139.11183	5.7
141.06972	2.2
142.07803	3.7
143.08589	9.1
144.09297	3.8
145.10123	54.0
147.07985	3.1
147.11682	38.3
149.09651	2.2
149.13251	37.9
151.14830	2.0
155.08559	2.9
156.09384	3.8
157.10114	18.0
158.10818	3.6
159.11694	45.0
161.09596	4.3
161.13266	41.3
163.11208	4.2
163.14793	19.0
165.09088	2.8
165.12784	4.2
169.10120	4.3
170.10933	2.0
171.11687	21.4
172.12448	2.2
173.13255	42.2
175.11232	5.2
175.14821	30.7
177.16365	24.8
183.11642	8.9
185.13269	15.9
186.95436	2.1
187.14851	33.1
189.12767	6.2
189.16383	22.1
191.14294	4.5
191.17966	11.6
193.08543	1.8
193.12247	2.3
193.15775	1.8
195.17419	2.9
197.13277	4.8
199.14798	13.2
201.16362	34.0
203.14357	5.2
203.17946	29.6
205.12349	2.4
205.15901	7.7
207.10112	2.0
207.13864	2.5
207.17432	14.6
209.13304	2.2
211.14828	4.8
213.16399	8.6
215.14236	1.9
215.17897	11.4
217.12265	3.8
217.15953	5.7
217.19551	8.3
219.13902	8.9
219.17412	12.5
221.15575	2.7
221.19057	3.5
225.16331	3.7
227.17969	4.7
229.12280	1.9
229.15901	3.0
229.19696	2.8
231.13849	5.7
231.17365	3.5
233.15350	22.9
233.19096	5.5
235.13396	2.2
239.17920	3.8
241.19670	3.3
243.21069	2.7
245.15364	6.2
245.19093	2.6
247.16946	17.5
253.19534	2.5
257.15387	2.3
259.16953	6.0
263.16211	3.9
271.16956	2.7
277.17990	7.5
278.09250	2.8
283.20596	2.0
285.18585	3.2
287.20059	3.7
291.19427	3.0
303.19592	4.0
305.21194	3.1
317.21112	2.7
325.93463	1.7
331.22916	3.3
367.29733	1.9
382.29089	1.7
389.31946	2.8
395.29156	4.3
407.33209	11.5
413.30408	9.0
423.32416	5.3
425.34439	9.5
435.32495	15.3
441.33691	19.1
453.33688	55.6
454.33795	1.9
471.16049	2.4
471.22086	29.0
471.34698	30.5
472.21985	2.9
472.35483	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
55.05517	13.5
55.05737	2.9
56.96537	2.8
57.07060	2.7
62.83492	2.0
65.03949	3.0
67.05503	22.1
69.03412	5.8
69.07060	22.2
71.37733	2.8
71.38073	5.4
76.02207	2.9
79.05501	18.4
81.03413	3.4
81.07053	42.0
83.04967	3.0
83.08604	10.8
85.02897	11.1
85.06544	5.2
87.00798	2.6
91.05480	23.4
93.07041	39.2
95.04966	4.9
95.08602	59.9
97.02885	2.6
97.06541	6.9
98.97546	3.8
99.08073	4.1
103.05386	2.8
105.01839	2.8
105.06375	4.2
105.07024	47.2
107.08591	60.7
109.02858	4.0
109.06499	6.1
109.10151	41.7
111.08086	8.5
112.32534	2.7
117.06996	9.1
119.08570	74.1
121.06485	2.5
121.10136	41.3
123.08045	5.2
123.11709	13.5
125.09593	13.3
127.03915	6.3
129.07028	4.5
130.07771	2.7
131.08578	24.7
133.10130	46.5
135.08005	2.5
135.11702	22.6
137.09618	4.0
137.13239	3.6
142.07837	2.8
143.08521	11.0
145.10103	48.0
147.11682	26.5
149.09616	4.8
149.13272	14.0
153.09154	3.2
156.09254	2.9
157.10100	12.0
158.10878	2.8
159.11691	42.9
161.13261	25.0
163.11179	4.9
163.14821	16.6
171.11703	8.8
173.13242	25.4
175.14813	26.8
176.46243	2.4
177.16331	13.2
179.14301	3.7
183.11687	3.5
185.13239	5.3
186.14040	3.0
187.14796	41.5
189.12831	3.0
189.16385	50.6
191.14302	5.6
191.17923	12.7
193.15903	8.3
197.13242	2.6
199.14827	14.9
201.16380	100.0
202.67975	2.3
203.17964	17.6
205.15889	6.7
207.17366	4.5
213.16422	18.7
215.17921	18.3
217.15863	7.6
219.17419	45.0
221.15352	5.2
227.17921	7.5
229.19496	10.5
231.17484	14.2
233.15147	3.6
235.16867	7.8
241.19421	4.3
247.17001	13.9
255.20918	2.5
259.20389	3.2
261.18439	7.8
269.22171	2.8
275.20032	9.4
279.03998	3.0
281.22598	5.8
295.23843	2.7
326.47604	2.9
327.23123	11.3
329.24850	3.7
341.24582	4.7
377.31808	3.4
389.31845	9.7
407.33105	38.9
409.34525	4.4
423.32568	5.3
425.34210	12.6
435.32550	25.0
453.33838	19.1
471.34451	10.8
489.70700	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93945	0.4
51.12309	0.4
56.96548	0.7
59.96182	0.4
60.95850	23.9
63.93023	0.4
65.79699	0.4
67.05486	0.8
69.03416	0.5
69.07032	0.8
70.06093	2.4
75.94550	2.4
76.95317	1.4
78.96922	0.6
79.05479	0.7
81.07060	1.1
85.02887	0.9
88.95310	0.7
91.05476	0.8
93.07015	0.7
95.04932	0.5
95.08601	1.2
95.22989	0.4
96.97936	0.6
97.02888	0.7
105.01839	0.7
105.07034	0.8
107.08592	0.8
109.10089	0.7
119.08589	0.6
121.10117	0.7
127.00443	0.6
127.03876	0.5
132.97885	0.7
133.10091	0.7
135.11574	0.4
141.02014	0.6
150.98909	0.7
157.14032	0.5
159.03087	0.9
173.04657	1.1
183.11699	0.6
201.07809	1.1
203.05823	0.5
227.09335	1.9
239.09373	1.6
245.10399	21.5
255.11600	0.5
256.10962	0.6
257.10391	44.4
258.10803	0.9
263.11450	40.5
264.11746	1.0
268.11966	1.3
271.12265	0.6
272.12476	0.7
273.12439	1.0
274.12262	1.7
275.11438	100.0
276.11703	2.5
280.11920	1.1
286.13095	1.4
293.12482	7.3
298.13028	10.6
373.06000	0.6
403.16965	0.4
438.13184	0.5
465.52484	0.5
471.26111	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.9
53.49333	3.4
55.05510	22.2
56.96550	4.9
57.07062	6.6
60.42817	3.1
67.05506	32.5
69.03420	9.2
69.07052	21.6
70.50797	12.1
74.68153	3.1
76.02235	9.5
78.54052	3.1
79.05495	23.8
81.03425	5.3
81.07056	46.8
81.18606	3.3
83.08624	9.7
85.02914	9.3
85.06549	6.0
91.05480	30.3
93.07048	50.6
95.04958	10.0
95.08604	72.2
95.09240	5.3
95.32847	3.5
97.02912	5.8
97.06516	11.4
97.10155	8.8
98.21542	3.2
99.08090	3.9
105.07024	50.9
107.08595	72.5
109.02850	5.8
109.06503	7.9
109.09435	7.2
109.10138	53.0
111.08088	9.7
113.22647	3.3
117.07047	10.8
119.08588	80.6
121.06452	4.1
121.10143	50.6
123.08051	6.0
123.11692	14.5
125.09645	13.9
127.03911	5.4
129.07019	8.7
131.08553	33.8
133.10121	63.5
135.08049	6.1
135.11714	25.4
137.05971	4.7
137.09692	4.2
143.08549	12.3
144.09309	4.4
145.10112	69.2
147.11697	30.6
149.09615	10.9
149.13271	12.2
153.09056	5.0
157.10112	19.4
159.11691	48.8
161.09711	4.8
161.13239	35.3
162.02248	4.2
163.11206	7.4
163.14803	19.5
165.09137	13.4
169.10129	5.7
171.11667	8.9
173.13252	27.3
175.14784	34.0
177.12775	5.5
177.16417	19.1
179.04900	9.5
183.11685	4.8
185.13229	9.4
187.11266	4.6
187.14851	51.1
189.16356	53.0
191.14430	5.0
191.17961	15.2
193.15898	5.0
197.13216	5.0
199.14825	14.8
201.16373	100.0
203.17949	26.3
205.15930	8.5
211.14943	5.3
213.16426	23.3
215.17950	23.8
217.15900	14.5
217.19429	4.6
219.17461	44.1
221.15247	6.0
223.16939	4.5
227.17862	8.8
229.19589	17.6
231.17415	11.0
233.19022	6.1
235.16927	9.3
241.19482	6.7
247.16853	16.5
249.44823	3.9
255.21275	3.6
261.18488	9.0
269.22791	3.5
275.20126	9.7
281.22620	6.2
283.24484	4.3
327.23190	17.2
341.25061	5.7
389.32123	8.0
407.33060	30.4
423.32739	7.1
425.34167	12.1
435.32605	36.5
453.33844	23.7
471.25723	10.3
471.35446	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	471.2205
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
51.15387	0.4
53.03942	0.4
55.01862	0.4
56.46479	0.4
56.96568	0.6
67.05489	0.7
68.99758	0.4
69.03421	1.1
69.07082	0.9
79.05496	1.2
81.03419	1.4
81.07038	1.8
83.05003	0.5
85.02907	1.5
91.05491	0.7
93.07058	1.3
95.04967	0.6
95.08624	1.1
97.02884	0.6
97.06527	0.7
99.04447	0.5
105.01935	0.5
105.07030	0.9
107.08591	1.6
109.02884	0.7
109.06474	0.5
109.10170	1.0
117.07050	0.5
119.08584	1.1
121.10170	1.3
123.08090	0.6
123.11686	0.5
125.87730	0.4
127.03947	1.2
131.08548	0.6
133.10121	0.7
135.11702	0.5
137.09593	0.7
143.08623	0.5
145.04990	0.5
145.10123	0.9
147.11752	0.6
151.04445	0.4
157.10229	0.4
159.11670	0.5
163.14871	0.4
165.09125	0.6
173.13245	0.4
190.07095	0.4
205.15837	0.5
223.16879	2.1
224.03362	0.4
271.13809	0.7
309.16724	1.4
430.39670	0.4
471.22012	100.0
472.22571	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.7
55.01876	10.0
55.05510	5.5
57.03440	8.2
61.02915	6.0
67.05511	8.3
68.99781	5.8
69.03426	50.6
69.07063	6.8
69.39120	14.6
70.06584	2.1
70.75314	1.5
71.04987	15.4
73.02914	10.3
79.05495	16.2
81.03419	45.2
81.07044	17.2
83.04999	2.1
83.08607	2.9
84.78503	1.4
85.02905	74.9
85.06541	100.0
87.00829	28.4
91.03944	2.0
91.05486	13.5
93.07049	34.0
95.04962	6.5
95.08605	16.7
96.28098	1.5
97.02879	23.6
97.06514	6.7
98.21458	3.5
99.04456	14.3
99.08092	6.1
100.11246	3.1
103.03938	2.7
105.01866	20.6
105.07031	19.7
107.08599	18.2
109.02876	38.8
109.06544	4.2
109.10178	8.3
111.08072	38.5
115.03928	2.5
116.06221	2.0
116.98688	2.2
117.01831	6.4
117.07040	5.0
119.08572	17.8
121.06522	2.7
121.10134	20.8
123.08099	4.4
123.11701	1.9
125.05979	2.3
125.09639	3.3
127.03913	61.4
128.04243	2.1
129.01836	5.7
129.06984	4.1
131.08560	9.7
133.10126	11.3
135.04422	1.6
135.07996	2.6
135.11707	5.1
137.05934	3.5
137.09595	8.5
139.07571	2.0
143.08556	4.5
144.09308	2.1
145.04962	15.4
145.10106	15.9
147.02876	5.3
147.11702	5.7
149.09645	3.0
149.13292	1.9
155.08606	2.6
157.10085	3.3
159.02890	23.2
159.11667	8.9
161.09630	2.0
161.13257	7.4
163.03920	2.3
163.11169	11.8
163.14854	2.4
167.07018	8.8
171.11685	3.8
173.09731	1.5
173.13286	2.1
177.03940	1.7
177.12747	2.0
179.14212	1.6
185.13234	1.7
187.11160	2.1
187.14793	7.5
189.04013	2.1
189.16394	4.8
191.10651	3.8
201.12662	1.7
203.14302	2.0
205.12210	7.3
205.15872	17.8
207.17435	5.1
213.03993	1.9
217.15799	2.3
223.13393	11.1
223.16882	23.4
224.14076	1.9
229.15877	1.8
231.04999	10.7
235.16982	1.9
247.13567	1.9
292.00827	1.8
313.18002	2.4
427.19489	2.6
471.17551	9.3
471.26450	7.1
471.35623	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	471.1821
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
56.96561	14.9
59.24057	0.8
59.26691	0.9
61.02951	0.9
67.05489	1.0
67.31674	0.9
69.07075	1.1
70.12435	4.6
71.95260	2.3
81.07037	3.3
85.02881	1.4
87.57497	0.8
93.07052	2.5
95.04951	1.2
95.08582	1.9
102.09197	1.0
102.92599	1.7
107.08582	2.6
109.10161	1.2
119.08551	1.6
121.10144	1.4
123.54675	0.9
128.06221	0.9
128.98611	2.4
133.10147	1.3
136.93103	4.4
146.99655	4.4
154.94145	24.7
172.95230	95.3
173.13342	1.3
177.95789	1.5
190.96281	73.9
192.95749	1.5
195.96837	7.8
203.10698	0.9
208.97343	2.7
210.96773	9.5
212.23431	0.9
213.97917	4.3
221.15465	1.2
228.97858	31.3
229.00113	1.8
230.99484	1.5
233.98509	1.5
246.98837	6.6
251.99495	3.9
264.43716	0.9
277.21381	0.9
294.34137	1.0
317.17868	55.6
318.18405	1.1
331.71417	0.9
333.17352	3.9
335.18915	30.8
351.19025	1.0
353.19623	1.0
358.20410	6.0
373.20407	1.6
397.14609	4.5
407.66574	0.9
417.86761	1.0
453.17148	41.1
471.18222	100.0
472.18744	2.4
494.19870	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78053	2.1
56.96540	3.0
57.03440	3.6
58.06592	4.2
61.02931	2.6
67.05494	3.6
69.03419	19.4
69.26412	13.2
69.26844	10.5
70.06579	7.5
71.04987	2.4
72.08168	3.4
73.02913	3.8
81.03402	3.8
84.08152	3.9
85.02907	20.1
85.06479	3.0
86.09689	6.3
93.07028	2.2
95.04920	4.0
97.02883	9.5
99.04427	2.9
105.07043	2.9
107.04946	4.0
109.02828	4.2
111.04493	2.4
116.98614	3.0
121.06510	2.6
122.06019	3.4
124.07574	4.4
127.03909	7.7
137.02333	4.3
138.09137	28.4
140.07043	4.1
146.39447	2.2
154.04997	8.4
154.08556	3.4
155.03403	5.8
163.03885	4.5
163.07448	2.3
164.07008	3.2
167.07011	4.7
200.10696	5.0
216.10170	5.1
218.11745	2.7
227.08217	4.8
228.10207	16.8
231.11276	5.8
237.02831	3.7
242.10503	4.2
243.11244	5.7
245.12851	8.0
246.11214	6.0
247.61748	2.5
255.11226	3.7
256.09579	2.7
261.12299	3.1
262.10693	6.2
268.69159	2.1
273.12311	11.7
274.10693	10.2
277.08749	5.9
291.13385	100.0
292.11676	31.8
309.14178	6.8
309.18768	3.8
388.20541	2.5
453.18124	3.5
454.17062	19.9
471.14682	3.8
471.23663	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	471.1819
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
54.63961	0.8
55.05513	2.0
56.75257	0.8
56.96560	12.5
57.03433	6.2
60.04538	1.3
67.05506	6.5
69.07052	1.2
71.59334	0.8
71.59765	1.3
71.95266	1.3
79.05492	5.4
81.07062	4.6
83.08621	1.3
84.96032	1.0
86.09716	1.0
91.05480	3.3
93.07043	6.5
95.08617	5.3
98.98465	12.9
102.92582	2.2
105.07034	3.5
107.08602	3.5
109.10162	1.8
117.07070	1.1
119.00971	0.8
119.08607	2.8
121.10155	2.4
128.98631	2.4
131.08583	2.6
133.10147	2.2
134.98233	1.2
135.11711	3.4
136.93127	4.8
136.93968	2.0
136.99982	10.7
145.10143	1.6
146.99649	2.7
147.11674	1.6
149.13269	1.2
154.94157	24.4
155.01053	11.6
155.03766	1.1
159.11705	1.7
163.14856	1.0
166.20708	1.0
172.95227	84.8
177.95811	1.3
184.07413	1.4
189.04414	1.3
190.96275	67.1
192.95839	1.3
193.02704	2.0
195.96803	7.6
198.96805	1.2
208.97319	1.9
210.96761	11.1
211.03731	3.5
212.98434	1.1
213.97842	5.3
218.98389	1.1
228.97847	30.9
230.99370	1.2
232.97250	0.9
233.98427	1.0
243.08946	1.0
243.21004	1.8
245.10661	1.4
246.98865	6.8
251.99417	3.1
255.10527	1.0
257.10648	1.1
261.22168	2.6
279.12769	1.0
317.17859	55.3
318.18475	1.3
333.17307	1.1
335.18951	30.2
335.25369	5.1
349.20355	1.0
358.20605	8.3
373.20425	1.5
397.14682	5.5
411.16272	1.5
446.05908	0.9
453.17108	43.6
471.18262	100.0
471.24911	9.8
472.18732	4.0
494.19827	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	471.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35424	0.7
52.40023	0.6
53.03934	1.6
55.01880	1.0
55.05500	0.9
56.96547	0.7
57.03434	3.7
58.36717	0.6
59.77290	0.6
67.05482	1.0
68.99371	0.5
69.03423	4.8
70.06592	3.1
70.11582	0.6
71.01360	0.7
71.04995	21.2
71.43021	1.3
72.08134	0.7
73.02901	1.3
73.90625	0.5
75.04474	1.3
79.05490	1.7
81.03425	3.6
81.07059	1.8
83.04984	2.7
85.02906	34.4
85.06564	0.6
86.09692	2.3
87.00828	1.1
87.04461	1.0
89.03915	5.0
91.05470	2.1
93.07027	2.0
95.04977	1.9
95.08622	0.9
97.02893	5.6
97.06546	0.7
99.04434	2.3
101.06062	0.7
105.07023	1.7
107.04963	2.4
107.08598	2.0
108.22743	0.6
109.02868	2.4
111.04455	1.9
117.03365	6.1
119.08619	1.5
120.08089	0.8
121.10140	2.4
123.04469	1.5
123.08099	0.6
127.03951	5.0
129.05479	6.5
131.08554	1.0
133.10109	0.9
135.04427	16.1
135.05449	0.6
136.07549	0.6
137.05922	0.9
137.09621	1.8
143.08595	0.6
145.02846	11.5
145.10155	1.4
147.08109	1.0
159.02888	0.8
159.11664	1.1
160.90831	0.6
161.09636	1.1
163.03914	100.0
163.11189	1.5
164.04271	1.8
165.05473	1.4
167.06984	0.6
169.10109	0.7
179.10677	1.3
181.05037	1.1
205.12260	5.8
223.13295	9.8
227.80588	0.7
229.15535	0.7
273.07690	0.9
282.07535	0.7
292.96097	0.6
307.07971	1.3
309.09723	1.0
310.07013	1.2
325.09183	3.8
345.04645	1.7
363.05447	1.2
471.18103	5.2
471.25488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
54.82278	3.0
55.01874	14.9
55.05504	11.7
56.96552	7.2
57.03426	6.6
58.99578	22.5
61.01149	6.3
61.02919	10.3
62.99072	24.2
64.44790	2.8
65.03940	3.8
65.36346	3.2
67.05506	30.1
68.99776	11.3
69.03423	17.4
69.07056	10.8
70.06584	4.4
71.04990	6.9
71.39564	4.9
73.02904	10.4
79.05490	38.4
81.03432	15.2
81.07051	85.4
83.04977	10.6
83.08642	3.7
85.02900	29.4
85.06537	16.7
86.09692	6.8
86.99051	27.4
87.00817	15.3
89.00605	11.8
90.98535	5.7
91.05477	68.7
93.07040	48.9
95.04985	15.9
95.08611	27.5
97.01088	4.4
97.02901	11.0
97.06524	13.2
98.97575	5.9
99.04425	6.1
101.00583	9.4
103.05483	7.9
104.10738	5.5
105.01834	4.3
105.07023	80.1
107.04939	12.4
107.08588	35.8
109.02871	11.2
109.06490	15.3
109.10130	18.1
109.92773	2.8
111.02692	5.0
111.04449	3.0
111.08067	7.0
115.05452	13.7
116.98642	5.8
117.00091	25.9
117.07014	42.6
118.98029	3.1
119.04955	4.0
119.08571	39.2
121.06510	10.2
121.10152	14.3
123.02600	4.0
123.04453	4.4
123.08037	5.6
123.11700	7.2
123.81816	2.8
127.03936	15.1
128.06219	24.6
129.01830	14.6
129.07002	46.6
130.07806	8.8
131.03476	7.1
131.08553	63.1
133.01315	13.6
133.06464	7.0
133.10109	24.0
135.08081	7.3
135.11667	5.5
137.06050	4.3
137.09584	4.6
141.06998	26.3
142.07771	27.0
143.08566	66.3
144.09393	7.2
144.99542	12.0
145.04990	3.0
145.06447	8.2
145.10112	57.8
147.02693	12.0
147.08073	7.3
147.11714	25.0
149.04155	3.5
149.09622	8.4
149.13268	19.8
151.03874	4.2
153.06992	3.7
154.07785	17.5
155.08519	23.5
156.09344	18.0
157.06508	5.4
157.10117	52.8
159.03053	3.5
159.04457	3.7
159.08047	10.2
159.11700	72.7
161.04175	9.8
161.06007	4.4
161.09621	9.5
161.13240	5.8
163.03909	13.8
163.11163	4.6
165.07056	15.3
165.09079	6.7
166.07768	22.7
167.08569	9.3
168.09285	5.6
169.10115	44.3
170.10771	3.7
171.08087	11.7
171.11674	72.7
172.12297	3.6
173.09637	11.2
173.13255	10.0
174.10136	3.5
175.02386	63.7
175.05832	4.1
175.11147	20.3
175.14685	3.5
177.00725	3.7
177.12750	14.4
179.08525	8.4
181.10106	40.9
182.10655	5.0
183.11627	10.7
184.07353	6.2
185.09587	12.3
187.05948	4.5
187.11182	20.6
189.07355	5.8
189.09019	4.3
189.12766	11.8
191.00072	31.2
197.09615	9.6
198.04977	7.2
199.11166	83.3
200.11894	11.0
201.12759	13.1
203.08875	15.5
203.10590	6.1
205.12230	4.7
205.15773	5.4
209.09714	3.6
213.07309	6.3
215.10689	7.9
217.12213	44.9
218.12923	6.9
221.09952	12.7
221.18814	3.2
223.13335	4.2
223.16922	7.6
227.10692	19.0
229.12288	4.2
231.08365	20.1
239.11099	5.4
245.11705	23.3
249.09454	54.5
249.11852	4.8
259.07886	7.6
267.10553	100.0
277.08859	25.4
285.10089	7.6
293.12112	4.1
295.09933	54.4
301.83307	3.1
303.10330	3.5
309.13596	3.7
317.12689	9.0
321.11545	9.6
339.12704	5.3
367.12097	39.9
385.12946	6.8
471.12814	17.4
471.18939	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.0
55.01876	7.2
55.05500	2.5
56.96563	1.5
57.03418	3.5
58.99594	7.2
61.01153	3.3
61.02905	1.4
63.71651	1.1
65.03937	2.0
67.05496	5.0
69.03421	6.0
70.06593	13.4
71.04990	2.3
71.55009	1.5
71.55344	1.8
72.08160	2.3
73.02905	2.3
79.05485	9.3
79.18508	1.2
81.03397	4.5
81.07064	8.3
83.04991	4.9
84.04500	2.1
84.08142	3.4
85.01117	1.9
85.02895	4.7
85.20832	1.2
86.09718	10.5
86.99057	6.6
87.00835	2.9
89.00584	1.9
91.05484	21.5
91.77954	1.3
93.07047	10.6
95.04986	8.0
95.08598	2.8
97.01115	3.3
97.02901	1.5
97.06528	6.0
98.97588	2.6
99.02669	1.5
102.05515	1.9
103.05480	3.6
105.01847	1.4
105.07031	30.5
107.04984	2.8
107.08601	5.6
109.02885	3.5
109.06501	4.0
109.10166	1.5
111.02657	2.2
111.04420	1.2
115.05456	6.2
116.06262	1.5
116.07076	2.8
116.98653	1.5
117.00060	4.4
117.07022	29.0
119.04967	2.4
119.08578	17.9
120.08045	1.5
121.06508	6.0
121.10157	2.2
123.02586	1.8
123.04424	1.4
123.08051	2.8
127.03910	2.7
128.06218	17.6
129.01852	2.5
129.07016	23.8
129.10234	3.2
130.07788	6.7
131.04927	3.2
131.08577	18.2
132.05698	1.3
133.01328	2.3
133.06483	6.4
133.10129	5.8
135.02649	3.6
135.08041	4.2
135.11665	2.2
137.04213	3.0
137.05933	3.2
137.09596	1.6
141.07013	10.4
142.07784	11.1
143.08568	38.2
144.09406	3.2
145.06477	14.0
145.10127	63.5
146.07283	3.1
147.02658	4.8
147.04433	3.0
147.08046	10.8
147.11682	2.4
149.04216	4.9
149.09639	2.8
151.05769	2.4
151.07581	2.1
153.06999	5.3
154.07726	6.5
155.05983	1.6
155.08557	21.6
156.09360	6.4
157.06517	5.0
157.10130	18.2
158.07271	4.2
159.08080	8.1
159.11708	8.7
161.04179	7.3
161.09651	7.9
161.13225	1.8
163.05797	3.5
163.07562	3.2
163.11200	11.0
165.07021	4.4
165.09108	3.0
165.84943	1.5
166.07747	6.1
167.08583	2.0
169.10136	16.7
170.10936	2.0
171.08069	26.7
171.11682	17.7
172.08820	3.3
172.12213	1.8
173.04208	2.5
173.09624	64.7
173.13188	1.9
174.10204	4.0
175.02353	14.5
175.05795	4.3
175.07547	2.5
175.11185	8.5
177.03810	3.5
177.07298	3.4
179.08611	3.8
180.09303	2.9
181.10072	8.6
182.07286	1.6
183.08112	2.6
184.03339	1.7
184.08859	2.6
185.04201	3.8
185.09627	7.2
186.53009	1.5
187.05826	3.3
187.11226	9.9
188.06638	1.7
189.03799	2.5
189.09036	3.3
189.12738	4.1
191.10622	12.0
193.10518	1.5
197.09657	9.6
198.04976	5.5
199.11159	17.0
201.07530	1.6
201.09161	2.6
201.12698	5.4
203.05254	2.0
203.08871	12.8
203.10698	5.1
205.06754	3.8
205.12260	2.2
209.09618	3.2
213.07388	9.2
215.10657	7.7
217.12254	11.2
221.09940	4.4
223.13263	5.8
227.10637	9.5
229.15440	2.2
231.08376	15.9
231.10381	1.4
233.09764	2.3
243.10252	1.7
243.13347	2.6
245.11771	12.3
249.09465	18.4
259.07922	7.0
277.08929	100.0
278.09286	3.4
289.05286	1.7
292.11710	1.6
295.09988	77.5
296.10489	2.3
309.10974	2.5
321.11465	6.2
330.82217	1.3
339.12506	3.5
339.16907	1.3
367.12204	12.0
385.12982	2.8
427.19556	2.1
453.12137	6.2
471.12646	2.1
471.18237	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13118	1.4
53.03951	2.0
55.01874	3.6
55.05505	2.9
57.03416	1.4
59.17412	1.3
65.03964	1.8
67.05501	7.4
68.99789	2.5
70.89127	1.7
70.89454	2.8
73.02920	3.4
79.05496	14.0
81.07055	38.5
85.02921	1.7
85.61669	1.3
87.00794	2.4
91.05482	33.0
93.07051	16.1
95.04973	5.1
95.08605	5.6
95.32459	1.4
97.06541	4.6
100.19423	1.4
102.92398	1.3
103.05457	7.4
105.07033	38.1
107.04941	3.5
107.08604	7.9
109.06525	5.7
115.05435	10.3
117.07016	27.7
119.04963	4.7
119.08591	11.8
121.06499	5.1
128.06239	13.2
129.01814	1.9
129.07010	21.6
131.04942	3.8
131.08572	40.7
133.01321	1.5
133.06525	2.5
133.10168	5.7
135.04442	3.1
135.08080	1.4
137.05983	4.4
139.07643	1.6
141.06990	28.3
142.07796	20.2
143.08557	38.9
144.09323	2.3
145.06482	9.2
145.10124	25.6
147.08029	2.4
147.11682	8.7
149.05971	4.7
153.06993	11.0
154.07805	4.9
155.07257	2.0
155.08546	40.8
156.09329	2.7
157.06532	1.6
157.10129	26.5
158.07281	1.9
159.04474	2.9
159.08070	9.8
159.11691	10.0
161.05992	3.4
163.07542	2.1
165.07013	2.0
166.07857	1.8
167.07246	2.0
167.08624	5.5
168.09338	29.2
169.06471	2.2
169.10089	7.5
171.08093	3.1
171.11687	22.8
173.09642	7.3
173.13258	34.2
173.14668	2.3
175.02417	5.3
175.11205	5.4
177.09157	1.6
178.07771	3.1
181.06479	3.4
181.10098	9.2
182.10736	1.5
183.08133	2.9
183.11696	100.0
184.12119	1.5
185.09612	4.7
185.13275	3.3
187.07562	5.0
187.11188	4.6
189.09180	4.1
191.10730	1.8
193.10141	11.6
193.17738	1.5
196.08902	4.1
199.11185	8.9
201.09058	3.3
201.12729	53.8
203.10680	1.5
211.11169	22.9
217.12263	4.1
219.13745	9.8
229.12228	80.2
230.12680	2.6
247.13332	32.3
279.10669	2.0
297.11594	2.2
305.15762	1.5
307.42950	1.6
471.12964	3.2
483.80002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72119	0.3
58.06571	1.3
58.65033	0.3
63.02378	0.4
69.90731	1.4
70.06573	1.4
70.32096	0.3
72.08156	10.7
75.09215	1.3
79.05460	0.9
84.08123	1.3
86.09659	0.4
89.03912	4.4
94.93208	0.4
100.11252	0.4
105.77070	0.4
107.04939	1.4
112.11240	3.9
117.03381	6.2
129.13884	2.5
134.06000	0.5
135.04414	14.2
145.02843	12.8
146.16505	1.4
147.21361	0.3
155.11775	0.8
162.05481	0.6
163.03902	100.0
164.04231	2.2
212.42435	0.3
219.11275	0.7
220.09682	49.9
221.10085	0.9
234.11255	5.0
237.12366	0.8
263.81024	0.3
290.18625	0.5
291.17023	4.6
297.66785	0.4
299.66083	0.4
308.19681	14.9
334.86597	0.4
452.21655	1.1
453.20142	1.0
470.22870	64.5
471.23645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	15.8
70.06584	4.6
71.60489	1.4
72.08141	1.1
79.05491	1.8
81.03397	1.2
84.04482	1.5
84.08130	1.5
84.96034	6.4
85.02876	2.8
86.09711	2.1
91.05480	1.4
95.04960	1.1
97.02880	1.4
98.97585	32.6
100.72134	1.0
102.97089	1.6
103.05437	1.7
105.07027	21.1
107.04913	1.6
109.02861	1.4
110.97536	8.4
115.05445	4.3
116.98624	32.5
118.04140	1.8
127.03891	1.2
128.97670	1.6
128.98607	26.6
129.10222	1.3
131.00197	3.4
133.05479	1.3
133.06485	25.0
133.52655	1.0
134.99666	25.3
137.05969	1.3
141.43214	1.0
143.06087	1.5
145.10132	1.0
146.99654	37.4
149.01219	5.5
153.00722	2.8
158.01186	1.1
158.99623	2.4
161.01279	5.4
161.05983	48.2
162.99147	2.4
165.00710	9.2
167.02394	1.1
167.07106	1.7
170.01183	1.2
170.99686	3.7
177.00706	5.7
177.05594	1.1
189.00679	8.7
193.08603	19.8
193.10287	1.9
195.01883	1.3
201.00800	3.9
213.00719	4.2
219.01746	31.6
221.01262	2.7
222.01959	8.9
223.02788	1.3
231.02000	1.1
237.02805	100.0
239.02394	2.4
240.03026	4.9
242.03365	1.4
251.02371	1.1
252.03047	17.4
255.01622	1.8
255.03880	11.7
260.04440	3.6
261.02774	4.0
263.02344	1.7
267.05457	3.0
270.04080	19.2
275.04694	1.1
278.04630	1.1
279.03699	4.8
281.03345	3.5
285.06354	2.9
288.05136	7.2
291.05380	1.4
294.72644	1.1
299.04330	2.2
309.06372	4.8
309.14502	1.3
321.06598	2.5
327.07486	7.3
330.04053	2.3
333.06503	1.1
339.07535	2.4
339.44861	1.1
341.09152	1.0
348.05261	8.7
351.07431	3.7
363.07495	8.2
366.06305	1.5
369.08591	2.3
378.06119	4.0
381.08444	3.1
393.08752	8.1
396.07208	5.3
411.09610	41.2
414.08319	3.4
429.10657	40.4
452.12292	4.3
471.11716	42.0
471.18289	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02372	1.7
53.03943	3.9
55.01856	2.8
55.05511	26.3
56.96560	3.0
57.07071	3.3
65.53960	1.9
67.05503	25.5
69.03421	7.4
69.07069	15.5
70.06590	3.6
70.82182	2.7
70.82510	2.8
71.04988	2.2
73.34170	1.9
76.09074	1.9
79.05486	17.2
81.03416	3.6
81.07056	52.6
83.04990	3.4
83.08618	7.5
84.08144	2.0
85.02910	7.5
86.09731	2.9
87.00819	2.2
91.05473	20.8
93.07047	49.0
95.04955	5.9
95.08610	100.0
97.02895	3.7
97.06547	10.9
97.10184	2.3
99.04496	2.2
100.11282	2.9
100.82558	1.5
105.07034	41.7
105.07750	2.6
107.08598	57.0
109.06518	4.3
109.09447	3.3
109.10159	49.1
111.04486	2.2
111.08077	21.0
115.05450	2.2
116.98598	1.8
117.07027	8.4
119.08585	64.6
121.06523	3.1
121.10145	36.9
123.08060	12.4
123.11711	15.3
125.09646	2.7
128.06256	2.9
129.07025	3.5
130.07800	2.0
131.08578	24.3
133.06483	1.8
133.10130	39.0
135.08051	5.1
135.11681	39.2
137.05989	4.8
137.09630	3.2
137.13257	2.8
139.11182	3.2
142.07703	4.0
143.08548	15.7
144.09363	3.5
145.06494	1.8
145.10124	51.6
147.08047	4.2
147.11688	41.8
149.09622	37.0
149.13261	28.6
151.07509	2.0
151.11197	3.0
153.12724	2.7
155.08566	4.1
156.09355	5.9
157.10126	31.3
158.10876	3.1
159.08089	2.8
159.11705	56.6
161.02386	2.8
161.09653	4.5
161.13257	34.5
163.03900	8.0
163.11183	2.3
163.14841	9.4
165.09131	2.5
165.12695	2.5
167.08540	2.8
168.09340	2.8
169.08670	3.7
169.10138	8.8
170.10901	7.8
171.11687	19.7
173.02322	5.5
173.09669	3.3
173.13257	24.8
175.11218	3.7
175.14835	21.2
177.12747	5.4
177.16368	13.4
181.10120	2.7
182.11018	2.1
183.11664	13.0
185.13264	34.2
187.11197	3.8
187.14803	30.7
189.12740	4.3
189.16368	20.3
191.10677	1.8
191.14351	3.6
191.17979	4.5
193.10158	2.0
193.15927	3.6
195.11655	4.4
196.12418	2.0
197.11717	2.0
197.13208	10.4
199.11095	3.8
199.14844	21.0
201.16374	31.7
203.14342	10.6
203.17903	6.5
205.12273	2.9
205.15886	20.6
207.13840	4.2
207.17438	7.8
209.13315	4.7
211.14801	10.1
213.12769	2.1
213.16330	8.6
215.07054	7.3
215.14339	2.7
215.17841	8.7
217.12297	3.4
217.15878	13.3
219.13864	2.6
219.17426	7.9
221.11662	2.4
223.14882	6.2
225.12724	1.9
225.16382	4.7
227.17970	6.0
229.15869	8.4
229.19482	2.5
231.13791	12.3
233.15417	10.8
237.16437	4.3
239.17899	3.3
241.15889	2.4
241.19501	3.0
243.13823	4.2
243.17407	4.0
245.15326	8.6
245.19095	2.0
247.17021	7.3
249.14580	2.1
253.19559	2.2
257.15399	7.4
257.19043	2.5
259.09683	13.2
259.16959	4.4
259.20834	2.2
265.19470	2.6
269.19070	2.0
271.12076	2.3
271.16956	3.5
275.16342	10.7
277.10620	8.1
281.22650	5.5
283.16934	3.7
285.18661	3.4
285.22021	2.9
287.16486	2.1
289.18018	2.3
297.18460	3.0
301.18027	3.0
303.19641	5.8
311.19986	4.0
315.19489	4.8
321.25903	2.5
323.27460	3.3
329.21017	5.1
339.26843	5.2
349.25638	2.4
367.26358	6.4
387.30209	2.7
393.27698	6.8
405.31512	11.9
407.33109	2.9
411.29102	4.8
421.30899	6.2
423.27359	3.1
423.32571	33.9
424.32980	1.9
433.31094	11.2
439.32077	8.0
451.32129	38.5
469.20477	38.3
469.33215	37.4
470.21140	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05497	11.8
57.80869	2.6
59.59178	2.8
67.05505	24.5
69.03391	3.8
69.07054	10.2
70.85444	3.8
70.85801	8.9
71.18095	2.8
78.01917	2.8
79.05499	27.1
79.05937	4.0
81.07053	55.4
81.99059	2.8
83.04994	4.1
83.08628	6.7
85.02851	2.9
91.05487	32.0
93.06477	3.4
93.07046	57.8
95.04971	7.5
95.08611	100.0
97.06559	3.3
97.10186	3.8
105.07031	63.9
107.08596	60.3
109.06500	6.5
109.10160	42.6
111.08073	18.3
117.06992	11.8
119.08588	56.4
121.10143	34.7
123.11686	11.9
125.06000	3.7
128.06358	3.5
129.06976	9.9
131.08565	32.4
133.10144	37.9
135.04387	3.9
135.08128	3.0
135.11676	28.4
137.13232	6.8
139.11176	6.8
141.66934	3.2
142.07779	6.6
143.08546	24.6
144.09386	5.8
145.10126	49.2
147.11694	40.3
149.05972	8.2
149.13258	39.5
151.11197	4.4
152.40761	3.0
155.08525	6.5
156.09377	5.9
157.10127	31.8
159.11702	48.1
161.09639	5.7
161.13274	33.6
163.07603	3.0
163.14818	10.9
165.12686	7.7
169.10107	10.6
170.10873	4.7
171.11682	20.9
173.13214	20.1
175.14833	17.0
177.09070	3.4
177.16354	18.5
181.10175	5.4
183.11665	8.6
185.13269	26.5
187.11166	3.2
187.14807	21.2
189.12738	6.8
189.16345	23.7
191.10643	4.8
195.11731	6.0
197.13242	9.5
199.14792	21.6
201.16422	24.8
203.10747	4.0
203.14351	5.8
203.17876	7.7
205.12215	5.5
205.15891	12.7
207.17474	7.7
209.13280	4.8
211.14854	9.0
213.16374	6.2
215.17921	5.7
217.12190	7.7
217.15892	12.7
219.13914	5.8
219.17331	9.9
227.14339	3.7
227.18073	4.2
231.13808	6.3
231.17389	5.5
233.15323	6.0
235.13371	5.9
243.17451	4.0
245.15331	12.9
249.14827	7.0
257.15402	4.5
263.16385	8.8
267.21194	4.3
275.16382	18.2
285.21964	4.5
289.17902	6.3
301.17941	5.3
303.19464	13.0
315.19516	7.2
329.21149	8.4
355.22473	3.8
393.27158	4.0
405.31509	14.7
411.28989	9.0
423.32333	10.1
433.30991	6.3
439.31970	13.3
451.32138	42.5
469.33215	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.44357	1.6
53.03923	4.0
55.05507	9.0
56.96563	2.3
57.07078	2.6
67.05502	14.1
69.03429	3.4
69.07072	14.0
69.79426	9.8
79.05489	18.1
81.07056	33.3
83.08607	9.7
91.05478	16.4
93.07041	37.2
95.04974	5.7
95.08605	50.0
97.06514	4.1
97.10199	2.3
98.21451	2.1
103.05443	1.8
104.46558	1.7
105.07030	42.5
107.04924	2.3
107.08591	51.3
109.06510	8.9
109.10157	26.4
111.08076	3.8
117.07008	7.8
119.08576	77.1
121.06512	8.6
121.10136	35.5
123.08105	4.4
123.11713	6.9
129.06909	2.8
131.08563	20.4
133.10118	43.9
135.08073	5.6
135.11668	13.9
137.09618	6.5
142.07780	4.5
143.08560	13.4
144.09363	2.3
145.10129	37.1
147.08026	6.2
147.11684	28.7
149.09627	17.5
149.13263	13.9
153.09087	2.2
155.08534	3.5
156.09334	4.1
157.10117	17.7
158.10980	3.2
159.08073	3.8
159.11696	29.9
161.09671	11.6
161.13264	26.9
163.11156	4.5
163.14822	10.7
165.09180	1.9
167.10611	2.9
169.10124	8.1
170.10970	2.5
171.11685	13.8
173.09729	3.3
173.13266	23.3
175.11188	7.8
175.14844	18.2
177.12793	4.1
177.16420	11.9
181.10205	2.6
181.12241	2.1
183.11688	5.0
185.13193	10.0
187.11191	2.4
187.14822	32.7
189.12738	9.9
189.16389	31.1
191.14340	6.8
191.17993	6.5
195.11646	2.9
197.13310	5.3
199.11082	3.4
199.14836	16.4
201.12698	4.0
201.16380	13.3
203.14325	12.3
203.16060	1.8
203.16368	1.9
203.17926	13.5
205.15805	4.0
207.13809	7.7
207.17534	2.4
209.13254	2.3
211.14798	3.4
213.16394	9.3
215.14316	7.8
215.17931	15.8
217.15919	8.9
217.19420	2.5
219.13966	2.5
219.17462	2.8
221.15390	6.9
227.17957	2.4
229.15880	5.9
229.19585	5.5
231.17397	5.6
233.15446	5.2
235.16968	6.9
239.18047	2.1
241.19620	4.3
243.21068	3.0
243.66312	1.8
245.15378	2.4
247.16971	7.3
261.18625	4.4
265.19705	2.4
267.20966	3.2
269.19104	2.2
269.22659	5.3
275.20126	2.1
309.22150	3.9
311.90186	2.1
327.23126	7.3
335.23672	2.0
387.30331	4.0
393.31613	20.2
405.31500	13.8
421.31067	6.3
423.32550	42.9
433.31134	4.9
437.99265	1.8
439.32181	14.0
451.32288	14.5
469.33176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05502	21.3
57.07099	5.6
67.05499	28.0
69.03416	8.7
69.07063	20.7
70.77809	15.2
74.23685	5.1
79.05499	19.8
81.03412	9.3
81.07056	63.3
83.08639	6.3
91.05469	35.6
93.07052	58.3
95.04960	11.2
95.08607	100.0
97.06532	6.7
105.07031	66.9
107.08603	59.4
109.06502	11.7
109.10156	45.6
111.08073	31.4
117.07014	5.6
119.08582	73.8
121.10143	49.5
123.08073	22.5
123.11703	17.7
129.07043	9.4
131.08553	30.8
133.10121	56.5
135.08064	8.8
135.11667	34.8
137.13266	5.7
141.06984	6.0
142.07764	10.0
143.08562	20.0
145.10135	47.1
147.11697	44.3
149.09633	6.9
149.13246	48.4
151.07530	6.3
151.11166	6.6
155.08554	10.2
156.09320	8.4
157.10161	32.8
159.11714	65.5
161.09630	12.2
161.13234	40.1
163.11256	7.2
163.14841	21.6
169.10158	9.8
170.10840	9.3
171.11687	41.0
173.09607	6.9
173.13283	38.5
175.11163	9.4
175.14848	22.9
177.16417	16.9
183.11703	15.0
185.13274	25.6
187.11131	6.8
187.14755	26.2
189.12738	12.1
189.16405	23.7
195.11777	6.3
197.13292	14.8
199.14835	19.4
201.12706	7.0
201.16365	22.8
203.14391	24.6
203.17979	13.2
205.15863	8.6
207.17293	8.0
209.13214	7.3
211.14816	13.4
213.16319	10.7
215.14380	9.9
215.17972	12.9
217.12318	6.2
217.15817	14.2
219.17369	7.1
231.13832	11.4
233.18991	9.6
235.13158	7.9
243.13779	9.2
245.15367	10.0
249.14868	6.6
257.15170	9.0
275.16443	16.2
279.10550	20.0
303.19397	8.8
314.81213	5.2
338.82660	5.3
389.27005	7.3
411.28821	14.9
421.30960	8.7
423.32477	16.1
433.31461	11.1
439.32047	19.1
451.32159	51.9
464.25052	5.3
469.33170	56.6
474.74872	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05507	14.9
55.12466	5.4
56.96571	13.3
61.60717	5.6
67.05506	19.9
69.07059	16.0
69.78447	8.1
69.78856	30.3
72.58702	6.4
79.05484	12.6
81.07045	39.5
83.05000	10.2
83.08615	14.2
91.05462	28.5
93.07037	40.1
95.04978	8.9
95.08607	39.4
105.07033	48.3
107.08589	47.2
109.06502	6.3
109.10123	17.1
117.07052	7.0
119.08581	75.9
121.10121	32.4
123.11658	11.1
131.08557	38.7
133.10109	44.4
135.11714	10.9
143.08571	8.8
145.10095	64.3
147.04431	7.9
147.11687	20.7
149.13274	11.4
157.10135	15.8
159.11722	45.5
161.13261	22.1
163.14857	11.7
169.10133	6.0
171.11720	15.9
173.13242	35.1
175.14879	42.5
177.16365	16.5
183.11667	6.3
185.13312	16.8
185.81659	6.5
187.14828	100.0
189.16408	23.7
199.14861	19.4
201.16359	91.2
203.14374	8.7
203.17937	14.5
205.15872	85.2
209.37041	7.4
211.14934	7.7
213.16266	11.2
215.17943	9.7
219.17424	11.0
231.17377	9.8
247.16983	6.4
331.15765	8.0
349.16901	10.6
373.54416	7.2
387.30469	7.2
405.31622	35.7
407.33093	8.7
423.32651	13.4
433.31018	14.1
451.32202	33.4
469.32797	19.1
484.09729	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.7
67.05506	30.1
69.07066	16.8
70.06575	4.4
71.11348	4.7
71.11665	6.9
73.64091	4.0
77.31351	4.1
79.05495	19.4
81.07055	56.0
83.05021	4.5
83.08620	3.7
91.05463	22.9
93.07047	51.7
95.04981	6.9
95.08608	100.0
95.09142	3.4
97.06502	6.6
105.07034	57.4
107.08595	57.1
109.06509	4.5
109.10162	35.3
111.08092	26.8
119.08581	70.2
121.10131	53.5
123.08079	12.9
123.11705	16.1
125.09612	6.3
129.07047	6.3
131.08560	17.9
133.10133	51.2
135.08069	9.3
135.11707	25.0
137.05951	4.7
139.11140	4.0
143.08572	4.8
145.10124	41.6
147.08090	4.9
147.11685	33.2
149.09642	5.3
149.13272	38.2
155.08498	6.5
156.09323	6.1
157.10117	24.7
159.11682	51.9
161.09642	11.4
161.13229	37.1
163.11168	4.2
163.14859	10.7
169.10161	8.5
170.10948	8.5
171.08128	5.2
171.11697	30.9
173.09738	5.6
173.13286	23.2
175.11169	7.2
175.14803	28.9
177.12668	4.7
177.16397	25.1
182.10971	4.4
183.11732	8.9
185.13271	29.5
187.11397	5.8
187.14844	22.0
189.09106	4.5
189.12720	8.2
189.16412	21.0
193.08614	5.2
197.13313	7.9
199.14784	20.7
201.12901	3.7
201.16367	18.0
203.14343	15.8
203.17938	14.4
205.15952	7.0
207.17480	8.5
211.14807	9.2
213.16367	8.4
215.14224	4.3
215.17955	11.0
217.12222	5.0
217.15913	11.2
219.17476	5.9
221.19142	4.9
225.16333	6.4
229.16211	4.8
229.19569	4.8
231.13809	6.1
233.15379	7.5
233.19023	7.9
235.13416	6.2
242.28018	4.2
243.13850	7.7
245.15393	14.9
249.14696	4.1
257.15286	5.2
261.14902	4.1
261.88336	3.8
263.16223	5.6
275.16464	10.4
303.19571	5.3
305.14731	3.7
329.21039	7.6
337.04953	4.5
405.31485	9.1
411.29056	11.9
421.30771	5.1
433.31033	11.2
439.31952	15.0
451.32214	50.4
469.10880	42.0
469.16556	5.4
469.33221	45.6
470.11133	7.3
487.08594	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	469.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
55.05764	0.7
55.80147	0.7
56.96568	17.6
67.05498	1.2
69.07043	1.0
71.60289	1.0
71.60706	0.8
71.95242	2.2
72.95975	0.7
74.97592	0.9
79.05476	1.6
81.07021	2.1
84.96001	1.7
92.98609	1.0
93.07040	1.4
94.33585	0.7
95.08597	0.9
105.07005	1.0
110.97616	1.2
116.98606	1.4
119.08566	2.1
123.01149	1.0
128.98608	3.9
129.06963	0.7
131.08531	0.8
135.11662	0.9
141.02226	1.3
145.10191	0.8
146.99646	9.3
147.11682	1.3
155.03812	1.3
161.01190	1.7
161.04832	0.9
161.13297	0.8
165.00703	2.5
184.02443	0.7
185.04852	0.9
189.04346	1.5
203.05838	1.4
210.99892	0.7
223.08487	0.8
263.09570	1.9
277.11099	2.2
291.12540	1.0
316.05008	0.8
317.17841	25.2
317.21344	1.4
333.17447	3.0
335.18912	100.0
336.19159	2.5
349.20313	1.0
351.18427	1.0
353.19989	43.4
354.20157	1.0
358.16473	1.3
358.20517	13.7
371.21268	1.8
376.21536	5.1
379.21729	1.3
391.21539	3.1
409.22583	11.9
427.23361	1.0
447.51364	0.8
469.33130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.8
53.81713	5.0
55.01874	17.7
55.05523	24.4
55.71818	5.4
56.04768	4.7
57.03434	21.0
57.92095	4.7
59.05020	4.8
61.02930	7.5
63.78401	5.4
64.49622	4.7
67.05508	36.0
67.47108	4.7
68.99789	14.5
69.03425	54.6
69.07071	29.6
69.47006	36.1
69.47430	12.2
71.05003	50.4
73.02914	6.2
79.05483	39.4
81.03424	43.5
81.07057	83.6
83.04991	12.4
83.08614	13.7
85.02904	65.8
85.06561	8.3
87.00819	38.7
87.16453	5.2
91.05487	47.0
93.07038	60.3
95.04985	34.3
95.08609	70.0
97.02893	34.8
97.06528	20.8
97.10183	6.2
99.04449	5.8
103.03954	11.0
103.05473	4.7
105.01865	19.3
105.07033	100.0
107.04946	13.8
107.08595	82.2
109.02876	23.5
109.06516	16.5
109.10155	63.5
111.04466	12.8
111.08054	9.4
115.03935	14.7
117.07010	20.7
119.08589	80.9
121.06525	20.2
121.10127	65.6
123.04443	18.5
123.08061	13.8
123.11698	21.5
125.09611	6.7
127.03914	17.5
127.11223	26.0
128.06244	9.5
129.01839	14.8
129.06989	19.1
131.08549	45.9
133.06520	7.0
133.10127	58.9
134.33401	5.2
135.04427	7.3
135.08029	8.1
135.11700	50.5
137.05951	8.4
137.09613	8.1
137.13383	6.2
142.07877	9.9
143.08560	21.3
145.06573	7.4
145.10139	48.7
147.02870	8.3
147.08064	12.6
147.11694	45.3
149.09656	13.1
149.13301	17.1
153.12698	6.1
155.08609	7.8
157.10126	34.8
159.02855	10.1
159.08028	7.9
159.11716	64.5
161.09641	8.4
161.13280	33.3
163.03908	10.3
163.07579	7.7
163.14842	7.1
169.10112	12.9
171.08092	10.9
171.11693	30.6
173.09648	13.0
173.13255	23.5
175.11063	11.9
175.14775	8.5
177.12787	9.9
177.16312	5.6
181.10115	8.7
183.11700	16.5
185.13264	14.7
187.11214	10.3
187.14798	14.1
189.04004	10.4
189.09192	7.7
189.12820	8.4
189.16386	30.7
191.14412	6.1
193.15915	8.7
195.17392	7.6
197.13235	15.5
199.11206	5.9
201.03909	11.2
201.12775	13.0
201.16435	29.6
203.17966	20.6
207.11789	12.1
207.17606	6.7
215.07002	12.3
219.17412	9.3
221.19055	6.3
223.14822	12.2
225.12831	19.8
227.18033	10.0
229.19540	5.6
231.17416	8.2
233.19040	11.3
241.15793	8.3
243.13974	6.8
243.17484	8.2
245.19012	16.3
257.18930	6.2
259.09695	14.4
263.20135	9.3
274.35504	5.9
277.10611	11.2
287.20035	6.1
288.48206	5.4
293.18924	7.5
305.21240	6.4
311.20157	24.5
329.21112	12.5
347.15201	6.2
347.22003	5.9
358.71173	4.5
406.24930	5.2
433.22147	9.5
451.23157	18.3
456.57230	6.2
469.24139	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	469.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22697	1.3
53.03949	7.7
55.01873	3.6
55.05502	3.6
56.05024	2.3
56.96552	5.4
57.03429	2.8
61.02919	4.3
65.03935	2.7
66.71897	1.6
67.05502	9.1
69.03419	5.1
69.42306	12.6
70.06304	1.4
70.06596	16.2
71.04987	6.9
72.08136	4.4
73.02895	2.2
79.05489	5.8
81.03413	3.4
81.07051	8.3
84.04493	3.5
84.08135	5.7
85.02908	7.4
85.06553	3.7
86.09698	5.4
87.05591	1.7
88.03986	1.8
91.05507	7.1
93.07027	5.3
95.04974	73.2
95.08598	5.7
97.02880	4.3
97.06540	4.3
98.20784	2.8
98.97590	3.7
99.08096	2.7
103.05443	2.5
104.05296	1.6
105.03384	2.2
105.04512	3.0
105.07014	4.0
105.73215	1.6
107.04954	3.0
107.08617	3.3
109.02893	2.7
109.06515	3.3
109.10141	3.7
110.07159	1.8
111.04412	2.8
115.17176	1.7
116.07040	1.4
116.98635	4.2
119.04895	2.0
119.08592	4.5
120.08112	2.2
121.06554	3.2
121.10133	2.3
123.04434	71.8
125.02321	2.7
127.03951	2.4
129.07106	1.4
129.10240	2.5
131.04936	4.6
133.02856	3.5
133.06458	2.3
133.10158	3.0
134.99678	3.1
135.07953	1.5
135.11707	3.0
137.05963	9.1
140.04678	24.7
143.08534	2.5
145.10152	3.1
147.04417	1.9
147.11606	2.8
149.05980	2.8
151.03845	2.7
151.07564	3.0
153.05431	3.1
155.07040	40.5
159.11681	1.6
160.88185	1.6
161.06012	2.2
163.03906	2.4
165.05460	6.0
166.06174	1.7
167.07048	18.2
169.09816	3.4
171.06482	1.9
171.22542	1.5
177.00717	1.5
177.05463	6.4
179.07007	2.0
180.07727	4.0
181.04933	25.5
183.06540	100.0
184.07129	1.9
185.05721	2.3
191.14378	1.9
193.05035	3.6
195.06500	5.1
197.08092	2.0
202.08508	2.4
207.06566	2.3
208.07280	8.6
209.08061	5.0
217.19531	1.8
219.01675	2.1
225.07605	18.2
226.08328	4.6
227.09114	2.0
235.20476	2.1
237.02936	2.5
253.21565	4.8
257.83551	1.5
265.07553	1.6
268.10754	3.3
271.22635	2.7
274.59393	1.5
289.12796	2.9
289.23669	2.5
381.18677	5.5
419.14557	2.6
469.12320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.113
Annotation	Cadensin G
Peak:m/z	Relative Intensity
50.91761	0.4
51.59963	0.4
53.03905	0.4
55.01827	0.5
55.05485	0.4
63.68718	0.4
67.05483	1.7
68.99396	0.4
68.99785	1.2
69.07040	1.0
71.20440	0.9
71.20817	0.7
79.05482	1.0
81.03417	2.2
81.07058	2.3
83.04980	0.5
91.05463	1.5
93.07025	1.4
95.01277	0.6
95.04968	1.0
95.08611	2.3
97.02895	0.5
97.06535	0.5
97.10172	0.6
98.03632	0.4
98.98418	0.5
105.07013	1.4
107.08586	1.0
109.02193	0.8
109.02876	7.3
109.10145	1.1
110.03609	0.7
111.00795	0.8
111.04410	1.1
119.04954	0.5
119.08575	1.5
121.10129	1.6
122.97697	0.4
123.04389	0.7
125.02369	3.1
125.05987	2.7
126.03134	3.8
127.03944	0.8
129.06973	0.5
131.08528	0.8
133.10133	1.0
135.11644	0.9
139.03911	0.9
140.04605	0.7
141.05458	24.2
145.10118	0.9
147.04413	4.3
147.11678	0.6
149.13213	0.6
151.05083	0.5
153.01823	5.6
153.05458	4.9
154.06226	1.6
155.07031	0.8
159.11615	0.9
168.04195	5.8
169.04959	99.0
170.05580	1.8
171.11734	0.5
173.13202	0.6
175.11142	0.6
183.06546	7.0
184.07304	68.3
185.08092	4.9
187.14859	0.9
187.22377	0.5
201.16444	0.5
203.03389	4.0
203.17886	0.7
229.04968	6.2
245.15326	0.5
257.00409	0.7
257.04443	33.8
258.05234	35.9
262.87497	0.5
285.04007	1.6
285.10364	0.6
286.04712	40.6
287.05121	1.2
327.04980	2.1
353.26831	0.6
371.27890	1.3
469.11304	100.0
470.11676	1.6
471.44080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05521	0.4
56.05020	1.0
57.03434	0.7
57.07077	2.8
58.06575	2.1
59.17271	0.4
60.08163	16.4
67.05489	1.2
69.07055	1.2
69.23994	0.3
69.26702	2.0
69.27130	2.2
71.07375	5.6
71.08633	2.2
81.07036	0.9
83.08633	0.7
85.10165	1.2
85.29170	0.4
86.09703	45.9
87.10030	0.5
89.37096	0.4
93.07026	0.4
95.08591	1.8
97.10157	0.5
98.20773	0.9
98.98454	3.9
104.10739	100.0
105.11061	0.6
109.10154	0.4
125.00003	26.8
163.01476	0.9
177.46004	0.4
184.07333	96.3
185.07614	0.8
258.11072	1.2
279.13150	0.4
285.24319	2.3
391.22424	0.5
450.29861	9.2
468.30856	24.0
469.31262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01848	2.1
55.05504	4.5
57.03405	2.5
57.07050	2.0
62.06079	2.7
67.05499	6.7
69.03432	6.4
69.07052	7.1
69.56408	15.1
71.04990	3.2
73.02528	1.6
73.02937	2.5
79.05490	9.8
81.03403	4.0
81.07064	23.7
83.04992	9.3
83.08614	3.7
85.02903	10.0
85.06532	4.1
86.09712	4.9
86.20066	1.9
89.98125	1.8
91.05463	5.7
93.07049	28.9
95.04987	8.9
95.08615	25.3
97.02847	2.3
97.06524	16.9
98.97580	2.4
99.04450	15.8
104.10712	4.6
105.07031	16.4
107.04965	7.0
107.08580	13.6
109.02883	2.0
109.06528	15.0
109.10164	3.0
111.08103	11.5
114.09167	2.1
117.07064	2.3
119.08588	9.7
121.06516	48.1
121.10130	5.6
123.04417	2.5
123.08041	2.0
123.11691	4.5
124.99998	1.9
125.05989	8.6
127.07529	4.6
131.08583	5.3
133.10156	12.2
135.04436	2.7
135.08038	7.1
137.05995	2.4
139.07545	13.0
143.07028	8.3
143.08606	3.4
145.10143	4.6
147.08078	2.6
147.11708	25.7
149.13208	2.4
151.11203	3.8
153.09085	1.8
155.06947	2.0
157.08630	7.8
157.10016	9.2
159.06526	7.8
161.13234	8.6
165.12738	8.1
169.12294	10.8
171.11714	9.7
173.09485	2.2
175.11182	22.5
181.04959	1.9
181.10138	2.4
184.07368	5.9
189.12738	13.4
193.12231	16.6
199.11198	16.3
207.13834	8.5
211.13316	15.0
217.12253	56.2
229.14288	11.4
235.13298	76.1
253.14369	100.0
271.15323	15.1
289.16467	12.8
355.63391	1.9
389.22812	2.0
468.23477	3.9
468.33060	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
53.15646	0.4
55.01851	0.8
55.05497	1.2
56.05044	2.6
57.03414	0.8
58.06595	2.9
61.02922	0.5
67.05502	1.3
68.05012	1.3
69.03439	3.0
69.07040	0.6
70.06586	2.4
71.59787	0.6
73.02902	1.1
74.84878	0.4
79.05509	2.0
81.03414	1.3
81.07044	2.5
82.06561	0.7
84.08153	0.6
85.02908	5.7
88.03954	1.0
91.05479	4.5
93.07047	4.5
94.06592	1.0
95.04943	0.9
95.08591	1.2
96.03952	0.6
96.04490	5.6
96.08093	0.4
97.02872	1.9
98.06046	1.5
99.04453	0.5
103.05415	0.5
105.07024	7.7
105.71095	0.5
106.06570	1.1
107.07317	1.5
107.08577	2.1
108.08108	2.4
109.02874	0.7
109.06446	0.5
110.06050	0.4
114.05528	11.8
115.05449	0.9
116.07073	3.3
117.07030	5.4
119.08571	4.8
120.08086	1.5
121.08842	0.7
121.10130	2.0
122.09621	1.7
124.07594	0.7
127.03973	0.6
128.06195	1.5
129.07008	3.8
130.07753	0.6
131.08562	6.5
133.06497	0.5
133.10097	1.2
135.08035	0.7
140.07053	0.6
142.07761	1.4
143.08554	9.9
145.06412	0.6
145.10115	11.2
146.09572	0.9
147.08022	0.6
147.11649	5.4
148.11227	0.6
149.06050	0.8
150.12767	2.2
152.07045	1.4
155.08528	1.9
156.09291	1.0
157.06499	0.5
157.10130	5.3
158.09596	0.5
159.08014	0.8
159.11679	3.5
160.11116	0.7
161.13249	0.5
162.12753	1.2
163.07480	0.8
165.06982	0.5
167.08569	0.7
168.09286	0.5
169.10077	1.3
171.07997	1.0
171.11665	8.4
172.11206	1.5
173.09598	1.1
173.13271	6.0
174.12769	2.5
175.07547	0.7
175.11195	1.5
175.14842	0.7
181.10098	0.9
182.10915	0.5
183.07980	0.5
183.11571	0.4
185.09627	2.8
187.11208	0.7
190.12228	0.5
191.10674	0.9
197.13280	2.4
199.11230	2.3
199.14871	1.4
200.10687	0.9
201.12729	1.7
203.10733	2.2
204.10133	0.5
206.11697	0.9
214.15877	2.4
216.17453	3.4
217.12177	3.1
218.11708	2.6
220.13292	3.2
222.10970	0.4
231.10223	0.9
232.17087	0.5
234.14754	0.5
242.15343	3.8
243.13846	1.4
245.11754	0.6
248.12723	1.2
248.67935	0.4
260.16443	15.8
262.18039	5.5
263.12869	0.7
264.12341	1.5
270.14880	0.6
278.17413	0.8
288.15924	5.2
304.15363	0.7
305.15915	0.8
306.16980	100.0
307.17355	2.7
468.22266	17.1
469.22641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59763	0.4
67.05499	0.9
69.03432	1.2
69.56726	0.4
70.06586	2.0
70.42566	1.5
71.04993	75.6
72.05346	0.5
72.08150	0.8
83.04985	2.1
83.06086	0.4
84.08143	0.9
85.02914	1.1
86.06052	0.6
86.09711	0.6
91.05511	0.6
93.03407	0.7
96.51456	0.5
97.02876	0.5
110.07148	0.7
111.04470	1.7
116.98643	0.5
121.30452	0.6
128.63672	0.5
129.10275	0.8
132.04497	0.6
135.04437	0.6
139.03929	0.6
139.08502	0.5
147.04402	0.6
163.03909	3.0
163.05078	0.5
164.04271	1.1
167.07037	1.1
173.02440	0.8
192.01175	0.6
196.00636	12.9
196.02347	0.8
206.08200	1.3
207.08937	0.5
208.09697	0.9
216.06590	0.6
217.07336	0.8
220.04262	0.7
220.06073	0.7
224.00108	24.0
225.00578	0.6
230.65312	0.4
233.06723	0.4
234.07590	0.8
235.08414	1.5
238.01784	0.7
248.03865	2.3
248.09222	0.5
254.64240	0.5
258.05823	0.5
266.04849	0.8
276.03247	1.6
294.04297	51.1
294.09708	2.2
295.04794	1.0
322.02365	0.5
365.05569	1.1
398.05649	0.9
422.09152	14.4
422.14566	1.4
423.09332	0.6
450.08627	2.4
468.09555	100.0
468.15048	7.7
469.09958	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86995	1.3
55.05512	12.7
57.07077	35.7
59.04998	2.2
59.30035	1.3
65.03950	1.7
65.13312	1.4
67.05502	100.0
69.07063	9.6
70.04845	6.9
71.08633	26.1
79.05481	2.4
81.07056	27.2
83.08616	14.2
84.78880	1.2
85.06548	2.9
85.10181	13.1
91.05480	4.7
92.27964	1.4
93.07056	3.9
95.08606	25.9
97.10165	4.6
107.08604	1.7
109.10152	73.6
111.08076	2.9
119.08587	4.9
123.11700	6.3
137.09596	3.1
137.13268	2.8
147.45662	1.4
151.14783	1.6
155.10672	4.1
165.26602	1.3
173.11729	26.6
202.67978	1.3
239.23618	9.1
327.86224	1.6
463.26321	1.7
467.37332	79.2
468.37674	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	467.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01866	3.9
55.05265	1.7
55.05513	27.0
56.96552	2.6
57.03432	10.0
57.07073	1.8
65.03942	2.6
67.05505	55.9
69.06715	2.1
69.07066	26.7
69.54730	9.4
71.04984	5.5
74.96019	1.0
79.05060	1.8
79.05495	32.1
81.07056	96.1
83.04974	7.4
83.08618	16.3
85.06526	5.6
87.02672	1.5
91.05476	32.1
93.07050	26.7
95.04958	5.3
95.08607	100.0
97.06532	15.6
97.10167	3.0
99.02657	1.8
99.08096	6.9
101.06009	1.2
105.06380	2.1
105.07031	27.8
107.08617	8.3
109.06493	5.5
109.10147	12.3
111.08083	4.4
113.09655	3.4
113.29971	1.2
117.07002	2.4
119.08577	35.4
121.10146	9.7
123.08083	6.0
125.09618	1.4
131.08565	2.2
133.10136	25.7
135.07977	1.4
135.11705	10.9
137.09633	3.1
137.13258	8.0
145.10043	1.3
147.11697	1.8
151.14807	1.3
151.61452	1.1
161.13254	62.7
169.10037	1.4
171.11722	1.3
179.14308	38.0
237.07494	1.6
238.07869	1.7
253.10939	2.5
253.17947	20.2
256.26364	1.7
271.19086	5.0
276.54935	1.5
315.16281	2.2
329.09677	1.6
333.17361	7.3
351.18387	3.9
374.20105	1.3
411.07785	3.3
425.46042	1.2
449.32535	4.9
467.26797	2.6
467.33322	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	467.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35919	1.1
53.03938	3.1
55.01866	3.3
55.05511	27.9
57.03436	11.7
57.07068	2.8
62.44241	1.1
65.03938	3.6
65.39132	1.4
67.05505	51.9
69.07068	26.7
69.89182	1.3
70.07416	1.3
71.04995	7.5
71.08608	1.1
71.59794	1.7
77.03886	1.2
79.05498	30.9
81.07057	93.5
81.30070	1.1
83.04977	6.8
83.08617	17.0
85.06549	5.5
91.05477	29.9
93.07042	26.4
93.07621	1.6
95.04977	4.4
95.08605	100.0
97.06538	13.9
97.10174	6.0
98.98461	3.3
99.08097	9.8
100.44378	1.1
100.98892	1.7
101.06031	1.2
104.10766	2.9
105.07027	24.1
107.08591	10.3
109.06510	2.6
109.10164	12.1
111.08089	5.4
113.09639	2.1
117.07059	2.1
119.08589	30.8
121.10136	8.2
123.08057	5.3
131.08554	1.7
133.10139	23.4
135.11702	11.2
137.09648	4.2
137.13268	7.9
143.08583	1.5
148.79895	1.4
149.13290	2.3
151.14818	1.6
155.01068	3.0
161.13252	54.6
162.13625	1.8
171.86189	1.4
179.14311	32.7
179.15793	1.9
197.15387	2.4
212.15872	1.4
246.74559	1.3
253.17986	21.5
271.19016	4.8
301.37967	1.4
311.25775	3.3
312.26208	2.2
313.26416	6.8
357.27618	2.0
375.28964	1.8
449.32492	5.5
467.33206	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	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.05287	3.5
51.21951	3.8
53.03936	6.6
55.05502	13.9
57.07072	6.1
63.86874	3.0
65.03946	3.0
67.05503	33.7
69.03430	8.9
69.07066	22.9
70.06613	3.5
70.20872	5.5
70.21270	8.7
74.53723	3.5
79.05491	35.1
81.07061	79.4
83.04972	3.8
83.08620	7.2
85.02901	10.3
85.06509	4.9
91.05480	41.1
93.07054	61.7
95.04950	7.2
95.08607	100.0
97.06473	3.6
97.10150	4.5
103.05460	4.4
105.07037	92.9
106.98258	3.3
107.04968	5.2
107.08595	73.6
109.06503	15.4
109.09463	4.4
109.10163	55.4
111.08085	48.2
115.05507	3.3
116.98580	3.5
117.06995	16.8
118.92522	3.6
119.07784	5.8
119.08577	74.5
121.06505	8.0
121.10143	45.5
123.08099	6.7
123.11713	17.6
125.09612	5.7
127.03909	5.4
128.06152	5.5
129.07011	12.4
131.08569	56.6
133.06488	6.2
133.10132	62.6
135.08049	4.7
135.11711	28.9
137.06046	5.0
137.09579	6.6
139.11179	3.5
141.06956	5.0
142.07758	6.4
143.08580	32.2
144.09332	4.2
145.06514	5.0
145.10120	63.8
147.08012	5.4
147.11688	43.8
149.05922	3.9
149.09686	5.2
149.13274	36.8
151.11188	4.5
153.06813	3.2
155.08533	11.3
156.09293	6.0
157.10129	36.6
158.10893	4.9
159.11694	73.5
161.09576	15.1
161.13255	40.0
163.14792	11.9
165.12691	6.1
167.08658	3.4
169.10152	16.7
171.11671	28.4
173.09584	6.7
173.13264	45.4
175.11176	11.2
175.14810	27.6
177.12747	7.0
177.16389	14.7
181.10085	6.0
182.11015	3.5
183.11674	20.8
185.13268	20.8
187.11229	6.1
187.14832	33.4
189.09077	4.2
189.12756	14.5
189.16396	30.3
191.14323	6.4
191.18021	5.7
192.31935	3.1
195.11751	6.8
197.13298	17.9
199.14822	23.2
201.12767	13.3
201.16373	36.6
203.10666	5.3
203.14270	18.6
203.18019	10.6
205.15918	15.6
207.10182	7.4
207.17400	16.0
209.13234	5.3
211.14861	5.9
213.12773	6.0
213.16441	13.4
215.14291	18.8
215.17982	6.6
217.15926	16.9
219.13884	7.9
219.17464	16.7
223.14896	3.6
225.16371	6.4
226.87073	3.7
227.14398	3.9
227.17949	6.4
229.12247	8.6
229.15878	7.3
229.19510	5.7
231.13968	5.3
231.17438	8.8
233.11627	5.9
233.15416	6.5
233.18968	5.1
237.16338	3.6
241.15807	3.6
241.19554	5.6
243.13803	9.8
247.13266	6.9
249.14816	4.5
255.17375	6.8
259.09415	4.0
261.14841	15.8
263.16379	5.3
269.18967	5.8
283.20654	6.5
287.16415	6.1
299.16550	5.6
313.17963	6.5
327.19318	6.5
331.23569	4.3
352.91946	3.4
365.28268	4.9
393.31741	5.5
397.36563	3.9
403.29968	14.4
405.31543	29.8
405.36517	4.7
409.27328	8.5
421.30847	14.5
423.32541	37.2
431.29382	10.1
435.24631	4.1
437.30502	10.1
449.30551	48.7
467.31671	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03933	3.0
54.33648	2.1
55.05501	6.4
56.54469	2.0
56.85950	2.1
59.42492	2.4
60.36174	2.2
60.40466	2.1
67.05495	12.1
69.03427	3.5
69.07059	10.1
79.05138	1.8
79.05492	15.5
81.07057	29.5
83.04983	3.3
83.08602	5.4
89.86661	2.1
91.05487	18.0
93.07042	23.7
94.28591	2.3
95.04941	5.2
95.08607	31.9
97.06538	5.0
98.87000	2.1
105.07027	39.7
107.04916	2.7
107.08602	42.2
109.06520	11.2
109.10142	14.5
111.08097	4.0
117.07019	12.1
119.08573	69.1
121.06492	10.4
121.10143	27.8
123.08036	6.6
123.11718	4.0
127.07520	3.3
129.06967	7.4
130.07779	2.3
131.08568	29.8
133.10139	34.4
135.08057	4.0
135.11688	11.8
137.09637	5.4
142.07794	5.2
143.08562	19.6
144.09332	3.3
145.10123	50.2
147.08081	5.1
147.11685	28.8
149.09610	11.4
149.13283	6.7
151.11168	3.4
154.53113	2.4
155.08534	8.0
156.09383	4.9
157.10136	25.4
158.10918	4.2
159.08060	4.1
159.11690	33.8
161.09650	7.3
161.13240	27.1
163.11177	3.6
163.14841	6.1
165.09082	2.6
169.10138	10.3
170.10875	4.9
171.11676	20.7
173.09650	6.0
173.13248	27.5
175.11221	8.8
175.14821	24.5
177.12723	5.4
177.16431	8.1
181.10185	3.3
182.10867	3.7
183.11696	12.1
185.13248	23.8
187.11203	3.1
187.14806	36.5
189.12767	8.3
189.16443	12.0
191.14336	5.5
193.12241	2.8
195.11685	5.1
197.13257	12.8
199.14792	19.9
201.16362	32.5
203.14330	17.6
203.18068	3.8
205.15942	3.9
207.13777	9.5
209.13295	3.6
211.14787	8.9
213.16328	16.5
215.14348	4.8
215.17845	3.4
217.15909	6.8
219.13756	6.0
221.15396	6.4
223.14761	3.8
224.15512	2.7
225.16522	2.8
227.14359	3.6
227.18015	8.2
231.17427	3.2
233.15366	6.9
239.17914	7.3
241.19415	4.4
244.20419	2.6
245.15324	7.4
247.08501	3.1
247.16972	9.3
251.17842	4.1
253.19608	4.3
257.18930	2.9
259.16953	4.1
267.21024	4.3
369.19595	2.9
387.20541	5.0
391.29800	11.6
393.31329	2.8
403.29996	15.6
419.29434	5.1
421.25876	5.0
421.31061	47.9
422.32077	3.1
423.32813	7.5
427.48135	2.5
431.29648	9.7
437.30557	10.1
449.30331	15.6
467.08813	6.3
467.31567	100.0
468.08990	2.4
468.31946	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.3
57.03441	9.1
57.07077	34.8
67.05503	11.0
69.07076	7.0
69.47820	8.4
69.48242	2.0
69.83716	1.0
71.08630	21.6
81.07063	12.3
83.08625	7.5
85.10187	12.9
89.06020	1.1
95.08606	18.1
96.88387	1.2
97.10163	5.2
98.98468	43.0
107.78388	1.1
109.10155	7.6
123.11715	3.8
136.99968	5.0
138.28592	1.2
155.01033	49.7
169.02667	1.4
173.75426	1.2
202.59587	1.3
229.04710	2.3
239.23660	5.3
257.24725	1.3
313.27356	100.0
314.27676	2.2
366.45697	1.2
393.24045	2.1
449.26596	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.0
57.03440	9.2
57.06822	2.4
57.07075	34.5
61.90884	1.6
67.05500	16.4
69.07062	8.3
71.08274	2.6
71.08627	19.6
71.60099	1.6
75.11689	1.4
78.91457	1.4
81.07059	11.2
83.08624	9.9
85.10177	14.9
93.07029	1.6
95.08608	18.7
97.10155	4.3
98.98463	40.1
105.07014	1.9
109.10162	12.3
116.99531	2.4
121.10212	1.9
123.11712	3.0
133.10168	1.7
136.99992	2.3
155.01038	54.1
168.96199	1.6
229.04668	1.9
239.23650	5.3
313.27353	100.0
314.27780	1.8
393.23904	3.2
397.63062	1.4
449.26526	14.9
467.21326	3.3
467.31442	3.0
467.37320	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	467.268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	19.6
67.05463	0.6
70.05428	1.0
71.95261	1.6
72.96040	1.6
74.97591	0.6
81.03371	0.3
81.07022	0.2
83.08599	0.3
84.96000	0.4
92.98608	0.3
93.07006	0.3
97.96818	0.5
105.06931	0.3
107.08592	0.3
109.10068	0.3
110.97594	0.6
123.01170	0.8
128.98576	0.6
137.02708	0.7
139.70427	0.2
141.02191	0.4
145.10167	0.2
146.99629	0.6
155.03807	1.0
158.73936	0.2
159.11685	0.2
161.13327	0.3
163.04088	0.2
164.15643	0.2
169.05333	0.8
179.07397	0.4
183.06902	0.3
185.04749	0.3
187.02713	0.2
190.96413	0.2
195.06874	0.5
196.63766	0.2
197.08475	0.8
201.16426	0.3
210.62970	0.2
213.07983	0.5
217.07413	0.5
221.08372	0.3
223.09903	2.7
225.11563	0.4
229.07425	0.9
230.08194	0.3
231.08929	0.4
235.09996	2.2
240.92723	0.3
241.11105	23.0
243.09045	0.3
243.11594	0.2
247.08553	0.5
251.09483	0.3
253.11098	46.6
254.11449	0.7
259.12173	42.5
260.12411	0.5
264.12692	1.6
269.10577	1.0
271.12152	100.0
272.12564	1.3
276.12656	1.2
277.13181	0.4
282.13739	1.9
287.11606	0.3
289.13202	6.6
294.13779	7.5
295.13873	0.4
312.14838	0.4
329.62738	0.3
333.17139	0.4
351.18564	0.4
369.19406	2.0
387.20413	0.7
467.26788	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	467.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01877	5.3
55.05515	5.2
57.03433	6.4
58.88545	2.5
67.05502	15.1
68.99774	4.5
69.03426	36.5
69.07041	4.8
69.55267	24.8
70.05461	2.8
71.01341	2.4
71.04971	4.0
73.02928	4.3
79.05492	13.4
81.03423	30.9
81.07053	23.8
85.02909	39.7
87.00829	19.2
91.05470	17.5
93.07037	30.1
95.04958	4.2
95.08609	28.7
97.02886	13.8
99.04461	10.5
101.94259	3.4
105.01862	8.8
105.07023	63.3
106.07290	3.0
107.08588	32.1
109.02887	21.2
109.06493	5.4
109.10159	12.3
111.04443	5.1
111.08086	3.9
117.07042	8.8
119.08587	31.7
121.10162	14.4
123.11716	3.2
127.03915	39.4
129.07016	7.2
131.08571	38.1
133.10110	14.9
135.11673	8.1
142.07724	3.4
143.08580	12.9
145.04953	7.2
145.10121	55.5
147.08095	3.1
147.11644	18.0
155.08516	3.9
156.09332	3.8
157.10150	12.8
159.02917	7.1
159.11685	38.8
161.13313	19.7
163.11221	3.8
169.10141	6.6
171.11707	10.0
173.13184	15.6
181.10100	5.1
183.11670	5.6
185.13292	6.9
187.14848	10.3
189.16483	5.5
191.17792	3.4
197.13139	3.8
199.10974	3.2
199.14819	25.9
201.16383	100.0
201.18254	6.6
202.16640	2.9
203.18021	10.5
205.16077	3.8
211.14787	4.4
213.03752	3.8
213.16417	6.9
217.15854	7.4
219.17447	24.8
221.91223	3.1
231.04919	6.5
231.17447	10.2
243.17360	8.3
247.16983	4.6
259.17023	12.8
283.19492	3.4
285.77170	3.3
287.16315	3.1
297.18457	3.7
309.18500	10.1
327.19415	14.3
345.20734	5.8
363.21707	4.5
367.31668	3.3
387.21484	7.7
413.19571	26.6
431.20438	11.2
449.21735	9.1
467.22269	6.2
467.31921	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01013	0.4
53.01044	0.4
53.03943	0.9
54.21201	0.4
55.01868	2.1
55.05497	1.2
57.03438	4.1
57.07067	2.1
57.57500	0.4
61.02923	2.8
67.05504	5.0
69.03431	10.2
69.07069	3.4
70.73136	0.8
70.73452	0.7
71.01358	0.8
73.02500	0.6
73.02916	16.4
79.05492	8.6
81.03426	2.5
81.07056	100.0
82.07427	0.6
84.32221	0.5
84.52515	0.5
85.02904	20.9
87.04469	1.4
91.00666	0.5
91.03954	1.3
91.05451	0.7
93.07044	1.1
95.08606	18.5
97.02892	15.0
97.03513	0.8
98.74440	0.5
99.04488	1.0
103.03946	1.3
105.07055	1.0
107.04958	0.8
107.08592	0.8
109.02879	1.9
109.10150	2.0
111.04542	0.5
115.03931	9.7
115.04726	0.6
119.88741	0.5
127.03910	8.8
133.04970	12.8
137.13252	22.9
145.04953	11.9
145.06119	0.6
147.04445	2.3
150.07622	1.1
153.01836	0.8
157.05009	0.8
163.06000	4.5
184.71411	0.5
199.06027	0.8
203.03268	0.7
209.55052	0.5
217.07004	0.6
223.06004	2.4
241.07111	2.6
243.06247	0.5
257.04407	2.8
257.89206	0.6
258.05042	7.1
259.05612	1.0
259.08157	5.4
277.09323	0.8
286.04620	5.3
287.05441	0.9
288.05908	0.9
295.10303	2.2
301.07098	9.0
422.09708	1.3
448.07529	1.4
466.08463	8.7
466.14517	0.8
466.28482	0.5
467.13705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.05008	1.2
56.96554	2.1
57.03414	1.1
61.02922	3.1
67.05497	1.3
69.03422	7.5
70.06593	8.2
70.06927	1.4
70.76468	3.3
71.04966	1.7
72.08148	4.3
79.05508	2.2
81.03413	4.9
81.07050	3.5
84.08138	2.0
85.02893	15.1
85.06558	1.5
86.09702	4.2
87.04446	1.0
91.05480	2.6
93.07030	2.2
94.06557	1.4
94.07800	1.2
95.04977	2.3
95.08626	2.0
96.08143	3.8
97.02901	5.0
97.06505	5.6
97.76807	1.1
98.97562	2.6
99.04491	2.2
99.11459	1.1
100.11246	2.1
105.07021	2.3
106.06603	1.4
107.04929	1.1
107.08596	2.1
109.02866	3.1
109.06506	1.9
111.04464	1.4
116.98620	2.4
119.08582	2.0
120.08121	5.6
120.08831	1.1
121.10143	1.5
121.12926	1.1
122.06052	1.5
124.07622	1.5
127.03924	3.2
131.08565	2.1
132.95920	1.2
133.02835	3.7
133.10130	2.6
134.03566	2.0
134.06018	3.0
134.99657	1.3
136.07591	1.8
145.04933	3.1
145.06056	1.0
145.10101	2.6
147.11711	2.4
162.05524	1.8
163.03912	5.9
166.08612	1.4
167.07024	1.1
182.15462	1.8
183.09146	1.4
184.10049	1.9
185.07054	3.5
186.09245	1.5
190.08664	4.0
191.08955	2.2
191.14377	1.6
195.09146	5.1
199.08722	3.1
203.05270	1.4
208.09966	1.7
210.14911	3.8
211.08635	9.6
212.09419	31.5
213.10242	16.4
219.01637	1.6
223.12273	10.0
225.10135	6.7
226.11009	8.5
237.02682	1.4
239.11818	1.8
240.09065	5.6
240.12514	8.8
241.09755	2.3
241.13353	18.8
255.11313	2.0
256.11938	5.7
269.12836	100.0
270.13260	1.9
271.14328	1.3
287.13882	66.9
288.14532	2.1
289.15643	1.4
305.14893	4.6
354.23752	2.5
365.63712	1.3
383.21619	1.4
416.84720	1.2
439.20386	3.2
449.31067	4.4
467.18912	6.5
467.32257	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	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35024	7.1
55.05530	11.1
56.96542	14.8
57.03435	22.4
60.33834	8.8
67.05493	28.9
69.03419	42.7
69.07066	8.5
70.06587	42.0
70.54089	8.9
71.34638	8.0
71.59307	11.5
72.08156	40.6
73.02911	10.4
79.05501	12.3
81.03404	23.4
81.07038	28.6
84.08127	25.2
84.42339	8.5
85.02898	68.3
85.06543	71.8
86.09695	36.0
87.00820	15.5
91.05469	13.3
93.07035	29.0
95.04965	12.9
95.08602	14.0
97.02886	29.5
98.97595	17.0
105.01871	8.8
105.07013	13.7
107.04964	22.2
107.08562	17.9
109.02888	15.0
109.10175	12.9
111.08094	100.0
116.98587	13.9
119.08579	12.9
120.08096	19.2
121.10138	9.7
123.08022	14.1
125.09626	11.3
127.03896	38.2
129.10199	9.7
133.02837	17.2
133.10121	9.1
134.05971	9.2
134.99724	12.7
145.05003	14.3
147.11703	19.8
149.01193	14.5
165.12749	25.7
177.00735	16.3
183.13788	51.9
190.08591	17.7
213.16678	7.9
241.09842	10.1
242.10487	25.6
243.11322	12.9
245.12842	11.5
259.10675	10.8
271.14548	15.1
287.13928	31.3
303.04846	17.4
304.05243	46.3
305.14893	68.7
323.11621	13.1
365.12335	11.1
425.14874	11.3
466.19919	25.4
467.15158	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77358	3.1
55.05503	10.5
57.07075	4.5
66.62664	3.0
67.05505	21.7
69.03420	7.9
69.07066	9.3
70.95711	8.5
70.96049	3.8
79.05486	13.1
81.03399	5.3
81.07059	38.8
83.04969	7.1
83.08612	13.3
84.04502	10.8
85.02901	11.0
85.06561	4.6
86.09678	4.2
91.05470	8.7
93.07058	22.1
95.04945	7.8
95.08593	14.4
97.02887	7.8
97.06520	11.5
99.08088	4.2
100.07634	5.2
100.11239	11.3
107.04971	8.8
107.08602	13.1
109.10172	7.5
111.04459	3.7
116.98602	4.0
117.07012	5.1
119.08588	6.3
121.10133	10.7
123.11691	5.3
127.03909	5.3
131.08499	5.3
133.10127	5.1
140.10681	4.4
143.08546	4.1
145.10081	7.4
149.13216	13.5
159.11589	8.1
168.10280	3.7
168.13779	7.1
171.11679	4.9
177.12749	7.0
181.02588	5.1
182.15404	5.0
195.13753	6.0
196.13367	6.7
201.16452	5.2
209.16406	5.6
210.14876	6.5
269.17459	100.0
291.39856	4.1
411.09662	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	466.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03952	1.2
55.05527	1.8
63.86523	0.8
69.61723	1.7
69.62131	4.7
70.06586	18.5
72.08150	13.8
77.03933	7.0
79.05502	2.1
80.05025	0.8
83.52080	0.9
84.08142	7.6
85.02908	1.7
85.07671	1.2
86.09703	1.5
91.77284	0.8
92.98765	0.8
93.07056	1.2
95.04984	3.0
95.08613	1.8
98.06081	2.2
98.09730	1.5
98.21577	1.0
101.07170	1.0
105.03390	16.4
106.06580	5.1
107.04951	5.3
108.04486	0.9
110.09686	4.7
112.11247	4.1
113.07151	1.3
119.96810	0.8
123.04401	4.2
127.12320	1.1
133.02846	100.0
134.06007	38.3
135.04442	2.8
136.07632	2.6
144.16643	0.9
145.02892	2.4
149.09782	1.0
151.03911	1.7
153.10266	1.2
155.11841	2.6
161.02370	1.5
161.88361	0.8
162.05492	23.2
162.09178	1.2
163.03885	17.1
164.07164	1.1
178.05013	1.2
180.61108	0.8
181.06499	1.5
183.10173	1.0
190.05069	2.4
190.08626	96.3
191.09109	1.9
200.07140	1.1
204.10208	11.5
204.11801	1.1
209.06024	4.4
218.08101	9.4
220.09741	2.4
230.08229	1.4
232.09816	2.3
234.11301	2.1
237.05547	3.0
241.01518	0.8
259.14532	1.2
261.16077	3.4
266.08051	1.0
266.11920	1.9
275.13916	1.0
278.18695	1.9
286.11337	1.1
287.13910	5.2
288.17194	2.1
289.15649	1.7
293.12918	1.7
294.11420	2.9
303.12204	1.6
304.05582	1.5
304.12549	5.8
304.16702	3.3
306.18182	1.7
307.14267	1.0
318.18021	4.6
324.12646	1.0
338.91574	0.9
361.32074	1.0
365.18643	5.5
379.16299	1.0
382.21231	28.9
410.20654	4.0
418.46350	1.0
418.76511	1.1
421.17889	2.1
438.20218	53.3
439.20911	1.4
466.19693	48.4
467.19910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
56.96547	0.6
59.51942	0.5
63.25217	0.4
67.01851	0.7
67.05508	0.6
69.03419	4.0
69.07062	0.5
70.06583	1.1
71.04980	1.3
71.59982	0.5
72.30498	0.5
79.05490	1.4
81.03407	6.2
81.07053	0.9
83.51958	0.4
84.08163	0.5
85.02903	4.5
85.06566	0.8
86.09686	2.3
87.04440	0.6
91.05443	1.0
93.07027	0.7
95.04983	1.5
95.08646	0.6
97.02881	6.0
99.04437	2.2
105.01860	0.5
105.07047	0.7
107.04951	100.0
107.08598	1.7
108.04636	0.4
108.05288	2.3
109.02875	3.7
116.98659	0.7
119.86287	0.4
120.08097	1.0
121.09293	0.4
121.10149	1.8
123.08044	0.9
123.11731	1.2
125.09603	0.7
127.03908	11.3
131.08572	0.5
137.09679	0.5
145.04977	1.7
147.11688	0.8
153.05437	1.4
165.12756	2.2
179.03508	0.5
183.13808	3.3
184.07397	0.8
198.52563	0.5
201.14847	1.7
208.97052	0.5
215.07048	0.9
233.08095	1.3
237.02783	0.6
244.12415	0.5
261.07730	1.1
279.08640	10.4
279.11664	0.7
287.13947	0.7
305.15033	1.1
413.12463	1.4
425.14838	1.0
431.13141	1.0
448.26678	0.5
467.14954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
56.96547	0.6
59.51942	0.5
63.25217	0.4
67.01851	0.7
67.05508	0.6
69.03419	4.0
69.07062	0.5
70.06583	1.1
71.04980	1.3
71.59982	0.5
72.30498	0.5
79.05490	1.4
81.03407	6.2
81.07053	0.9
83.51958	0.4
84.08163	0.5
85.02903	4.5
85.06566	0.8
86.09686	2.3
87.04440	0.6
91.05443	1.0
93.07027	0.7
95.04983	1.5
95.08646	0.6
97.02881	6.0
99.04437	2.2
105.01860	0.5
105.07047	0.7
107.04951	100.0
107.08598	1.7
108.04636	0.4
108.05288	2.3
109.02875	3.7
116.98659	0.7
119.86287	0.4
120.08097	1.0
121.09293	0.4
121.10149	1.8
123.08044	0.9
123.11731	1.2
125.09603	0.7
127.03908	11.3
131.08572	0.5
137.09679	0.5
145.04977	1.7
147.11688	0.8
153.05437	1.4
165.12756	2.2
179.03508	0.5
183.13808	3.3
184.07397	0.8
198.52563	0.5
201.14847	1.7
208.97052	0.5
215.07048	0.9
233.08095	1.3
237.02783	0.6
244.12415	0.5
261.07730	1.1
279.08640	10.4
279.11664	0.7
287.13947	0.7
305.15033	1.1
413.12463	1.4
425.14838	1.0
431.13141	1.0
448.26678	0.5
467.14954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49937	1.1
55.01877	12.5
55.05261	1.8
55.05511	24.8
57.03435	10.0
57.07072	8.4
59.03278	0.9
60.12868	1.0
62.17466	0.9
67.05504	8.6
69.07068	23.7
71.08640	5.2
71.49476	2.1
72.65776	1.0
73.02920	6.9
79.05491	2.9
81.07059	10.0
82.24389	1.0
83.08619	22.2
85.10162	2.2
93.07047	4.5
95.08622	6.9
97.06504	3.2
97.10175	12.4
98.98464	50.9
98.99122	2.4
107.08602	2.4
109.10154	3.1
111.08088	1.9
111.11718	3.4
119.56852	0.9
121.10119	5.6
123.11726	2.2
129.05495	1.7
135.11699	4.3
137.00011	3.4
149.13223	1.2
155.01045	41.2
198.86575	1.1
219.21066	2.4
229.04701	3.2
237.22160	7.8
251.07373	1.6
269.08264	7.0
287.09451	2.2
311.25800	100.0
312.26065	4.5
447.19412	0.7
447.25110	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	466.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
62.42689	0.2
67.01859	0.3
69.03422	2.6
69.50245	1.3
69.50660	0.7
71.04999	0.5
79.05502	0.6
81.03410	4.4
81.07087	0.3
85.02906	1.0
95.04963	0.9
97.02883	4.2
99.04455	1.3
107.04952	100.0
108.04508	0.6
108.05278	1.3
109.02886	2.5
119.04947	0.3
127.03916	10.7
144.05702	0.7
147.04410	1.2
153.05473	1.3
169.06656	0.3
173.05954	0.3
179.03404	0.5
189.05432	1.6
215.07092	1.2
233.08162	0.7
243.06660	0.3
261.07599	1.2
274.47253	0.3
279.08630	13.6
280.09055	0.4
297.09763	0.3
315.08746	0.6
330.88885	0.3
413.12122	1.2
431.13281	1.9
467.13263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.05497	15.9
56.96568	7.3
57.03432	7.6
57.07081	17.9
58.97817	3.3
61.02913	4.8
67.05495	8.5
69.03413	17.5
69.07062	76.4
71.04992	6.3
71.08625	17.4
71.60436	5.8
73.02879	4.4
73.06545	15.1
73.15089	3.9
75.14389	3.6
79.05485	10.4
81.03408	15.8
81.07037	11.5
83.08606	5.0
85.02895	40.4
85.10172	5.2
87.00803	18.5
89.06022	30.2
91.05476	6.8
93.07042	6.3
95.04926	6.5
95.08610	5.2
97.02885	25.0
99.04473	5.4
103.64659	3.8
103.87893	3.8
105.01865	28.8
105.07023	11.4
107.08625	7.2
109.02869	7.7
109.06490	5.2
111.11712	100.0
111.12431	7.4
119.08603	6.2
121.10120	6.7
127.03914	36.5
129.11839	6.8
129.12758	86.4
133.10080	7.5
135.11678	3.8
145.04916	6.7
145.10092	7.8
177.12772	4.0
182.99365	3.7
197.55913	4.2
199.16988	9.0
224.21844	4.4
231.04926	7.4
244.32639	3.9
259.56787	3.6
260.77591	3.8
277.70004	3.8
367.18323	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.05497	15.9
56.96568	7.3
57.03432	7.6
57.07081	17.9
58.97817	3.3
61.02913	4.8
67.05495	8.5
69.03413	17.5
69.07062	76.4
71.04992	6.3
71.08625	17.4
71.60436	5.8
73.02879	4.4
73.06545	15.1
73.15089	3.9
75.14389	3.6
79.05485	10.4
81.03408	15.8
81.07037	11.5
83.08606	5.0
85.02895	40.4
85.10172	5.2
87.00803	18.5
89.06022	30.2
91.05476	6.8
93.07042	6.3
95.04926	6.5
95.08610	5.2
97.02885	25.0
99.04473	5.4
103.64659	3.8
103.87893	3.8
105.01865	28.8
105.07023	11.4
107.08625	7.2
109.02869	7.7
109.06490	5.2
111.11712	100.0
111.12431	7.4
119.08603	6.2
121.10120	6.7
127.03914	36.5
129.11839	6.8
129.12758	86.4
133.10080	7.5
135.11678	3.8
145.04916	6.7
145.10092	7.8
177.12772	4.0
182.99365	3.7
197.55913	4.2
199.16988	9.0
224.21844	4.4
231.04926	7.4
244.32639	3.9
259.56787	3.6
260.77591	3.8
277.70004	3.8
367.18323	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	465.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24301	0.8
53.03937	1.7
55.01870	5.6
55.05511	2.3
56.05036	1.9
56.96570	2.3
57.03436	2.4
60.04519	1.5
61.02919	4.3
69.03430	11.8
70.06600	2.5
70.83868	2.1
70.84235	2.0
71.04993	29.9
73.02906	2.8
81.03419	4.3
85.02911	15.5
87.04469	2.8
97.02894	8.4
98.06058	45.3
98.97592	4.3
99.04457	25.5
109.02886	2.1
110.06049	3.0
110.97526	1.1
112.07607	1.2
112.99190	1.2
115.08711	2.1
116.07092	21.0
116.98626	3.0
119.01921	3.0
120.08128	1.1
124.07637	1.5
127.03931	3.5
128.98607	1.2
131.00186	3.3
131.97800	0.9
133.03467	1.8
136.07494	1.5
138.05511	5.1
140.07077	3.9
142.08629	3.3
143.01956	2.4
144.08224	1.0
145.01776	1.1
145.03468	1.2
145.04961	1.4
148.07597	3.0
149.01210	1.6
149.02856	1.0
152.07021	5.5
153.05486	1.0
154.08742	1.2
155.01921	1.2
157.03539	2.3
157.09755	2.4
158.99741	1.7
160.07719	0.9
161.01575	1.2
161.02991	5.7
162.05482	1.9
162.09204	1.3
164.07094	1.2
166.08519	0.8
170.08092	1.3
170.48007	1.0
172.07603	1.4
173.02988	2.2
175.02853	1.3
175.04520	1.6
176.07076	13.8
177.00835	1.0
177.04214	1.7
178.04892	7.5
178.08632	3.6
179.02278	1.1
186.11159	1.7
187.04439	1.3
188.09160	8.1
189.02345	1.0
190.08672	5.3
192.10202	1.7
193.03908	2.1
194.08080	1.1
199.04518	1.6
200.07098	1.8
203.04071	1.6
203.13943	1.1
206.08211	1.3
208.09729	2.1
211.04752	1.6
218.08128	9.5
219.01772	3.5
219.08923	1.0
220.09712	1.8
221.05127	2.9
235.08601	1.4
235.10770	22.8
236.07237	1.6
237.02869	4.4
238.10791	3.7
245.05191	2.8
250.10744	10.5
259.06723	4.4
267.13370	1.9
268.11862	1.2
280.08157	3.3
285.14328	5.2
286.12863	1.9
301.07892	1.2
303.15515	100.0
304.13965	3.4
307.08612	2.3
308.09308	2.4
317.09860	13.9
317.60202	3.1
318.10727	3.8
319.08813	2.5
321.10394	1.4
337.08133	2.5
355.09201	2.2
447.20303	1.3
465.20850	86.9
466.20853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.5
61.78272	0.9
69.03419	3.9
70.06604	1.1
71.60056	1.1
81.03408	1.6
85.02911	7.1
97.02876	3.0
118.76756	1.0
132.31070	0.9
140.62744	0.9
159.94356	1.0
170.06062	0.9
181.08813	1.1
182.09700	2.4
184.11253	1.6
194.09676	2.3
196.09920	8.8
197.10786	3.8
199.08618	0.9
206.08391	23.6
209.07149	1.8
209.10823	1.0
210.11559	1.5
211.12312	11.4
213.10217	1.4
213.61317	1.0
220.09950	3.8
221.10722	12.1
223.08649	6.3
224.09468	8.3
225.10149	1.1
225.36438	0.9
227.08159	3.7
237.10152	4.8
238.10974	6.8
239.08025	2.9
239.11786	26.6
241.09680	2.8
252.08890	2.2
254.10564	1.2
255.11191	1.4
257.12845	2.7
267.11285	67.1
268.11551	1.4
272.11572	6.7
281.23959	1.1
285.12335	73.0
286.12659	2.1
303.13379	100.0
304.13718	2.0
435.85059	0.9
464.21365	1.0
465.18961	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1737
Annotation	Icariside A5
Peak:m/z	Relative Intensity
52.56226	0.6
69.03436	1.4
69.07053	0.7
69.09044	0.6
69.63205	0.6
70.06595	2.2
70.84500	0.8
70.84850	1.5
71.04993	0.6
72.08185	1.1
73.44504	0.5
76.23620	0.6
80.17346	0.6
83.45498	0.6
84.08163	0.7
85.02910	5.4
86.03268	0.7
86.09707	5.4
91.05503	0.7
95.08611	1.1
97.02886	1.1
102.05579	0.6
119.01949	1.1
119.08495	0.6
120.08104	0.8
127.03927	1.6
128.04251	0.6
136.07576	2.8
137.05934	0.7
145.04997	1.3
146.05408	0.6
149.09674	0.8
180.79770	0.6
185.04263	3.0
199.18092	1.2
223.64915	0.6
239.10292	1.4
243.08774	1.5
249.13374	1.1
257.04514	1.3
275.11374	1.1
277.12827	0.8
285.10931	9.7
293.12360	1.1
295.13953	0.8
299.11188	0.7
303.05029	10.7
303.12033	56.5
304.05292	1.1
304.12344	0.9
321.12152	0.8
337.91595	0.7
342.60153	0.6
345.11887	2.4
363.13052	3.7
378.15588	1.3
465.17346	100.0
466.17676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1181
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.22842	0.4
68.69531	0.4
68.99765	0.6
70.85686	0.6
70.86004	0.6
91.05473	1.9
102.04655	1.2
102.74080	0.4
105.07005	0.7
110.03617	0.7
118.04102	0.7
119.04917	1.5
122.42279	0.4
130.04095	1.9
131.04884	0.5
131.70531	0.4
135.04437	0.7
136.05138	1.3
137.05978	0.7
146.03662	3.6
147.04433	2.7
148.05212	4.1
153.01845	4.9
161.05974	3.0
162.06732	1.0
163.03867	1.3
179.62810	0.4
203.03378	5.3
213.05518	0.4
229.04932	5.7
241.04988	1.2
242.05733	14.7
253.04997	3.9
255.06645	0.4
257.04443	50.9
258.05215	20.4
259.05606	0.5
269.04504	2.2
270.05191	3.0
271.05923	1.3
283.06009	1.1
285.03976	6.4
286.04712	35.1
287.05457	16.7
295.06000	0.5
297.03943	6.1
299.05502	1.8
327.05084	2.0
341.06497	1.2
373.07141	0.8
375.08459	0.8
387.08539	0.8
389.06589	0.5
403.08197	1.6
415.07910	0.5
419.07599	0.7
432.08487	2.7
435.10822	4.6
447.10718	15.7
448.11310	0.4
465.11826	100.0
466.12131	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	465.1182
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
63.10878	0.9
68.39826	0.8
71.05025	1.7
107.04980	0.9
110.06809	0.8
113.39799	0.7
136.06203	8.1
137.05830	1.8
147.04364	1.0
151.89818	0.7
153.01828	16.3
153.02988	1.3
179.03334	1.1
221.06068	0.9
234.06821	1.3
257.04541	1.7
258.05225	4.5
264.07813	0.8
265.05212	1.0
267.06580	0.9
271.06046	1.9
280.07251	1.0
286.04794	5.4
287.05234	0.8
298.04706	1.2
299.05499	2.5
300.06210	1.1
301.03616	1.2
311.05496	16.5
323.05750	0.9
329.08081	2.0
341.19788	1.0
347.09210	1.9
349.07083	1.1
357.07501	2.5
358.08362	2.3
359.09222	7.0
361.07123	5.6
369.07574	1.9
375.08691	8.7
376.09314	5.1
385.07059	2.7
386.07858	6.6
387.08609	7.9
391.08102	2.3
397.07227	1.9
403.04034	0.5
403.08124	27.9
404.08728	4.4
414.07379	3.5
415.08130	10.4
416.08871	2.4
419.07578	19.1
420.08466	10.8
431.07523	8.9
432.08398	70.7
433.08798	3.0
435.10742	46.5
447.10757	97.0
448.11243	3.4
465.11856	100.0
466.12012	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1182
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
68.99778	0.2
69.26589	0.5
69.27012	1.3
71.95852	0.1
79.05444	0.2
83.94899	0.2
91.05456	1.0
98.20689	0.3
102.04635	0.4
103.05447	0.2
105.06989	0.2
108.98252	0.2
110.03636	0.5
117.03398	0.2
119.04946	0.8
123.04427	1.5
124.05174	0.2
130.04123	0.3
131.04892	0.5
135.04404	0.8
136.05173	1.1
137.02293	0.3
137.05916	0.5
138.06737	0.6
146.03593	0.6
147.04416	0.9
148.05217	0.8
150.06737	0.4
153.01839	2.9
161.02242	0.2
161.05956	0.6
163.03874	0.5
166.06250	0.6
179.06915	0.2
201.05504	0.2
203.03375	8.9
213.05437	0.4
229.04947	7.8
230.05391	0.2
241.05031	1.2
242.05740	3.4
253.04918	0.7
257.04431	99.8
258.05054	6.5
269.04327	0.9
270.05197	0.7
271.05899	0.6
285.03931	5.4
286.04703	9.3
287.05481	9.9
288.05811	0.3
295.06033	0.5
297.03918	7.6
298.04547	0.2
299.05466	0.4
300.06323	0.2
311.05579	0.3
327.04953	0.4
359.09015	0.2
363.08478	0.2
373.07117	0.3
375.08633	1.4
387.08746	0.3
391.08066	1.3
392.08350	0.2
403.08047	2.4
404.08630	0.3
419.07584	0.6
432.08572	1.0
433.08963	0.2
435.10757	5.4
436.11206	0.2
447.10712	2.7
450.09363	0.6
465.11798	100.0
466.12140	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	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.9
55.01860	1.0
56.96553	0.8
57.03429	0.9
61.02918	1.3
62.92241	0.3
65.03937	0.3
67.05502	0.4
68.99786	0.7
69.03123	0.3
69.03432	3.5
69.07070	0.5
70.06593	2.3
71.04976	0.7
71.59380	0.5
72.08160	2.1
73.02910	0.7
74.06064	0.4
79.05499	0.6
81.03416	2.2
81.07057	0.8
84.04507	0.9
84.08131	0.9
85.02901	10.2
85.06543	0.3
86.09712	5.3
87.04473	0.7
87.68024	0.3
89.67935	0.3
91.03941	0.4
91.05486	2.3
93.07056	0.7
93.46358	0.3
95.04948	0.8
95.08598	0.4
95.16962	0.3
97.02885	3.7
98.97586	0.6
99.04453	0.6
102.05510	0.4
105.06998	0.6
106.71189	0.3
107.08594	0.4
109.02915	1.9
111.00797	1.0
116.07076	0.5
116.98595	0.7
117.07031	0.5
119.04912	0.6
120.08105	4.8
121.02872	1.0
123.04395	0.5
123.08049	0.4
127.03915	2.5
129.10233	0.4
130.06479	0.4
131.08591	0.5
135.04413	0.3
136.07574	0.7
137.02344	4.0
137.05986	0.8
137.09831	0.3
145.04970	1.5
145.06499	0.6
145.10065	0.4
146.99669	0.5
147.04398	0.4
149.02301	0.4
153.01826	4.6
161.06084	0.7
161.13223	0.3
163.03923	1.1
165.01822	3.1
173.05960	0.7
175.05560	0.3
183.02936	1.2
187.03983	0.5
195.02896	0.5
201.05449	2.7
203.13956	0.4
211.03972	0.4
215.13953	0.6
219.06592	0.6
223.10808	0.6
227.50291	0.3
228.04111	0.4
229.04973	5.4
235.10684	0.7
235.14432	0.6
237.02779	0.4
243.13432	0.4
247.06058	0.6
257.04453	3.4
263.10178	0.4
274.04791	0.9
285.03986	1.8
303.04990	100.0
304.05301	1.0
313.07407	0.4
345.05994	0.4
362.62653	0.3
378.83051	0.4
470.71136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05479	0.3
56.96560	0.4
64.14236	0.2
67.05489	0.5
68.99792	0.4
69.03411	0.7
70.06577	0.7
71.04984	0.5
71.60465	0.4
73.02914	0.4
79.05491	1.1
81.03404	0.8
81.07053	0.5
83.23870	0.2
83.32640	0.3
84.08157	0.4
85.02901	0.9
85.06555	0.4
86.09705	1.9
89.03922	0.4
91.05478	0.8
93.07047	0.6
94.88733	0.2
95.01376	0.3
95.04956	0.6
95.08594	0.4
97.02868	0.6
97.06535	0.4
105.07020	0.6
107.04942	1.0
107.08577	0.4
109.02857	0.6
109.10143	0.3
117.06988	0.4
119.08565	0.4
120.08102	1.3
121.02805	0.4
121.06534	0.3
123.00797	2.1
126.64854	0.2
127.03901	0.6
131.08583	0.5
135.04411	2.3
135.08131	0.3
136.07568	1.0
137.02328	1.0
141.01794	0.6
141.36490	0.2
143.08516	0.3
145.10072	0.4
151.03923	0.7
153.01822	9.8
157.06511	0.3
157.10048	0.3
159.11633	0.4
161.09613	0.3
163.03909	0.6
169.01346	1.6
171.11612	0.4
173.05992	0.4
175.14662	0.3
183.04465	0.3
189.41389	0.2
199.14874	0.5
201.05511	1.7
201.16417	0.3
203.03380	0.8
205.04915	0.5
210.01590	0.3
212.81839	0.2
213.05484	0.3
214.08394	0.2
229.04968	8.9
231.06532	1.8
239.11739	0.3
245.04436	2.0
247.05949	0.7
247.63812	0.2
249.15897	0.5
250.75586	0.2
253.14154	0.3
257.04462	11.0
257.12762	0.3
259.06030	13.8
267.11145	0.4
274.04556	0.3
275.05472	6.9
277.15540	0.3
285.03943	8.9
285.12427	0.8
287.05435	1.1
289.57370	0.3
302.03894	0.3
303.04984	100.0
304.05237	1.0
318.03729	2.4
333.05984	4.5
465.10529	0.4
465.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
53.03943	0.2
55.01855	0.2
56.96547	0.2
57.03429	0.2
59.04993	0.1
61.02935	0.3
62.82887	0.1
67.01878	0.2
67.05486	0.2
68.99784	0.5
69.03423	1.2
69.07047	0.1
69.49294	0.3
69.49702	0.8
70.06512	0.1
71.04954	0.1
73.02904	0.3
78.77789	0.1
79.05479	0.3
81.03395	0.8
81.07072	0.2
83.04972	0.2
85.02897	2.1
86.09690	0.5
87.04440	0.3
91.03930	0.3
91.05475	0.2
93.07054	0.2
95.04966	0.2
95.08648	0.1
97.02870	1.0
98.97552	0.2
99.04442	0.3
105.03376	0.2
105.06977	0.2
106.14539	0.1
107.04957	0.8
107.08558	0.2
109.02880	0.8
109.03489	0.1
109.06512	0.2
120.08115	0.2
123.04418	2.9
123.35303	0.1
127.03905	0.8
131.08562	0.2
133.02847	2.4
137.05960	0.2
145.04959	0.5
145.10132	0.2
151.03900	7.0
153.01820	35.2
154.02124	0.2
159.11624	0.2
166.02667	0.1
205.04904	0.3
229.04964	0.2
257.04346	0.2
259.05939	0.3
275.05524	0.2
285.04031	0.3
285.12082	0.2
303.04977	100.0
304.05295	1.2
313.03323	0.3
318.03622	1.0
333.06024	2.5
465.10141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95785	0.1
55.05499	0.5
56.37590	0.1
56.96564	0.3
57.07051	0.1
67.05510	0.9
69.03417	0.3
69.07060	0.4
71.04987	0.1
71.20908	0.3
73.94175	0.1
79.05487	0.5
81.03429	0.2
81.07052	1.2
83.08634	0.1
85.02903	0.2
91.05486	0.4
93.07030	0.4
94.04034	0.2
95.04961	0.2
95.08611	1.2
97.02905	0.7
97.06528	0.4
105.07053	0.5
107.04929	0.2
107.08646	0.2
109.10141	0.2
111.97681	0.1
119.03548	0.8
119.08561	0.4
121.10129	0.3
133.10147	0.2
136.06181	100.0
137.04630	1.1
137.06616	0.9
161.13315	0.2
178.07320	0.3
186.82248	0.2
257.04456	0.2
268.10486	0.4
327.23514	0.1
336.33212	0.1
464.25098	2.8
465.12134	0.2
465.24973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30492	0.1
55.05514	1.2
56.96559	0.2
57.03433	0.3
65.03935	0.1
67.02993	0.1
67.05508	1.7
69.03072	0.2
69.03427	3.2
69.07069	1.2
71.04981	0.4
71.10828	0.4
73.02904	0.1
79.05505	1.2
81.07053	3.7
83.04976	0.2
83.08621	0.7
84.95998	0.1
85.02902	0.9
85.06537	0.4
91.05469	1.2
93.07042	1.0
94.04047	0.2
95.04961	0.2
95.08603	3.5
97.02898	2.0
97.06544	0.9
97.10192	0.3
99.08123	0.2
105.07024	1.2
107.04986	0.1
107.08596	0.6
109.06501	0.3
109.10150	0.5
114.41945	0.1
115.03922	0.7
119.03548	0.9
119.08572	1.4
121.10153	0.3
123.08108	0.3
129.06955	0.1
133.10059	0.7
135.11696	0.3
136.06181	100.0
137.04620	0.9
137.06647	0.7
137.09608	0.2
137.13286	0.3
159.11674	0.2
161.13243	1.5
179.14265	1.2
197.15363	0.3
212.23894	0.1
265.18051	0.1
275.16418	0.3
293.17438	0.4
311.18509	1.3
329.19522	1.5
464.25052	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	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
54.29089	0.2
55.01868	0.4
55.05509	2.0
56.96553	0.2
57.03424	0.7
57.07068	0.2
67.05501	3.4
69.03431	2.2
69.07065	1.9
70.64543	0.8
71.04979	0.8
73.02915	0.2
79.05489	2.1
81.03420	0.5
81.06577	0.4
81.07053	7.3
83.04961	0.8
83.08610	1.5
85.02901	5.6
85.06532	1.2
86.09675	0.3
91.05483	2.7
93.07045	2.8
94.04057	0.3
95.04958	0.4
95.08607	7.7
97.02892	4.0
97.06527	1.5
97.10164	0.6
99.04446	0.8
99.08089	0.9
105.07027	2.3
107.08595	1.3
109.06493	0.5
109.10151	1.1
111.04440	0.5
111.08086	0.5
113.09605	0.3
115.03944	2.0
119.03540	0.7
119.07770	0.4
119.08582	2.9
121.06550	0.3
121.10168	0.7
123.08073	0.8
127.03925	0.4
129.06990	0.3
131.08562	0.6
133.04945	0.2
133.10133	2.3
135.11688	1.4
136.06183	100.0
137.04582	0.6
137.05873	0.7
137.06683	0.3
137.09613	0.3
137.13232	1.2
143.08578	0.3
147.11652	0.2
155.08537	0.2
159.11696	0.5
161.13240	4.9
163.07594	0.2
179.14299	3.3
180.14769	0.2
181.12181	1.1
195.13905	0.4
197.15379	1.4
250.62032	0.3
257.15393	0.4
275.16513	1.4
293.17514	0.8
311.18469	3.4
329.19595	2.9
464.24942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41993	2.8
51.10649	2.6
53.03946	8.6
54.79418	3.5
55.01873	9.6
55.05505	19.9
57.03440	6.7
61.02894	4.5
63.35300	3.3
67.05502	36.0
68.99796	4.5
69.03427	35.0
69.07070	23.4
70.79141	4.7
70.79460	4.8
71.04982	9.6
79.05486	21.9
81.03417	34.8
81.07052	63.2
83.04968	15.7
83.08603	18.1
85.02901	46.2
85.06542	9.7
87.00819	24.7
88.26188	3.3
91.05470	33.6
93.07047	25.7
95.04962	11.6
95.08604	77.8
97.02882	21.0
97.06537	19.1
97.10172	10.0
99.04461	9.4
99.08094	9.0
105.01861	11.9
105.07033	39.8
107.04962	4.1
107.08589	16.5
109.02879	23.7
109.06513	6.2
109.10154	10.4
111.08100	3.1
117.06963	5.6
119.08582	39.7
121.06558	6.3
121.10136	13.3
121.28177	3.3
123.08066	7.9
127.03930	42.7
129.06992	4.3
131.08542	4.1
133.10107	33.8
135.11679	18.6
136.06166	28.6
137.09605	6.2
137.13220	16.4
143.08600	5.0
145.04926	4.0
145.10121	9.2
147.11725	4.5
151.07506	18.4
157.10098	4.8
159.08061	4.0
159.11707	5.5
161.13246	76.8
171.08202	4.1
173.09616	4.0
173.11768	6.8
175.11198	4.6
179.14313	100.0
197.15355	28.5
207.13696	3.6
215.16309	4.4
273.40167	3.1
287.16412	10.0
305.17520	11.1
323.18478	4.6
344.09186	3.5
365.19836	4.4
409.18350	22.8
468.54987	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	463.1232
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
56.96545	0.4
57.29152	0.1
59.20646	0.1
70.06561	0.2
70.74326	0.3
77.27657	0.1
81.03443	0.1
86.09688	0.1
95.04976	0.1
100.07615	0.1
100.11222	0.3
120.42983	0.1
126.65832	0.1
126.76070	0.1
133.01675	0.1
137.05997	0.2
149.05975	0.1
153.01817	0.4
162.09341	0.1
182.15498	0.1
198.57516	0.1
210.14842	0.2
210.91176	0.1
220.46738	0.1
229.04898	0.3
235.02698	0.1
253.03932	0.1
257.04523	0.1
258.05231	16.2
259.05618	0.4
272.20975	0.1
273.07785	0.1
286.04712	36.3
287.05161	0.8
301.07050	100.0
302.07416	2.8
302.10873	0.1
355.03616	0.2
373.04535	0.6
435.05145	0.1
463.12213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18915	6.2
51.86596	5.9
52.69057	5.5
56.96556	9.4
59.36130	5.6
68.61427	5.6
70.95148	13.0
87.31290	6.9
99.76004	7.0
125.43085	6.6
301.10706	15.0
432.68597	6.8
463.13614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1573
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
55.05490	0.8
56.96546	0.9
61.02895	0.5
67.05491	1.6
69.03420	0.9
69.07060	0.7
70.06590	2.8
71.21141	0.8
71.21461	0.5
72.08125	0.9
79.05485	1.5
81.03411	1.6
81.07046	1.6
84.04510	0.6
84.08118	1.0
85.02888	2.6
86.09683	3.1
91.05466	1.0
93.07027	1.2
95.08652	0.9
97.02895	0.8
97.06538	0.7
98.06053	0.6
98.97551	0.6
99.04487	0.6
102.99921	0.4
105.74714	0.4
107.04956	0.6
107.08592	0.6
109.02907	0.5
109.10153	0.9
111.08115	0.5
116.71217	0.5
116.98600	0.6
117.07045	1.3
119.08618	0.4
120.08112	0.8
121.10129	0.8
124.07625	0.5
127.03943	0.8
129.06863	0.5
129.10268	1.0
145.10146	0.7
173.09596	0.7
177.00813	0.5
195.07748	0.5
203.05264	6.8
229.14262	0.6
242.10480	1.0
255.11288	0.6
269.12897	0.6
273.03894	1.2
283.10287	0.6
287.05417	0.8
301.03458	1.0
301.11838	1.9
373.11862	0.6
375.14047	4.4
401.15982	0.8
417.15195	0.8
445.14816	1.8
445.20352	0.7
463.15741	100.0
464.15866	1.0
489.02942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0871
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
65.03927	0.5
68.99780	1.3
69.03437	0.7
70.06570	1.1
70.59533	0.7
70.59927	0.6
72.08129	0.6
74.06054	0.4
84.04491	0.4
85.02879	1.0
86.09707	1.7
89.07153	6.6
93.03398	0.4
97.02834	0.3
98.97557	0.4
104.05296	0.3
107.04969	0.4
110.07106	0.3
120.08086	0.6
121.02882	1.7
136.07564	0.7
137.02336	1.3
147.04398	0.6
150.03104	0.4
153.00731	0.2
153.01826	5.5
165.01884	0.4
167.06946	0.4
171.04373	0.8
175.03928	0.6
177.05469	2.2
189.01849	1.1
189.05373	0.7
199.03931	1.7
203.03389	10.3
204.03966	0.6
207.02933	0.7
217.04953	3.6
219.02798	0.4
221.04440	1.3
227.03503	0.5
229.04944	1.0
231.02858	3.7
244.03819	0.4
245.04462	19.3
261.10074	0.4
273.03931	90.1
274.04291	2.1
301.03424	100.0
302.03909	2.9
302.88370	0.3
303.05017	0.7
463.15842	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	462.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05511	12.9
57.03439	8.5
57.07072	1.7
65.03917	1.6
67.05502	28.0
69.07068	15.7
69.89938	3.1
69.90348	1.9
79.05492	7.0
81.07056	28.7
83.05008	1.0
83.08613	5.4
83.20695	0.8
85.06547	1.5
91.05464	5.0
93.07030	6.1
95.04940	1.3
95.08604	19.7
95.09159	1.7
97.06531	2.4
97.10181	3.6
105.07030	3.9
107.08579	5.9
109.00543	2.8
109.06490	0.9
109.10166	9.0
109.92345	0.9
111.08110	1.0
119.08581	3.8
121.10148	3.3
123.11695	2.9
126.03199	5.3
133.10124	3.6
135.11720	2.4
138.69691	0.8
147.11642	1.4
160.62033	0.8
164.04742	1.5
165.03127	1.8
172.95212	1.5
182.05798	11.8
190.96317	2.6
263.23511	1.1
314.80737	0.9
337.27353	100.0
338.27783	3.2
365.37338	1.0
406.16473	1.4
444.28848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54937	0.5
57.03421	0.5
65.00905	0.5
69.03424	1.2
70.06571	1.0
70.16133	1.0
70.16521	1.4
72.08136	1.2
74.06071	1.1
74.36532	0.5
84.04498	1.0
85.02879	1.0
86.09705	2.9
97.02879	1.4
117.02193	0.5
119.01941	2.9
120.06565	1.0
120.95367	0.6
127.03875	0.7
130.08630	0.7
131.01903	1.4
137.02982	0.7
143.01892	1.7
145.03493	0.9
147.01443	0.5
155.01875	1.7
156.97479	5.6
157.03453	1.1
161.02931	2.8
166.05351	0.5
167.01889	0.6
173.02960	4.2
174.98538	10.4
180.97449	6.6
182.98886	0.6
185.02980	5.7
187.21036	0.6
194.99054	0.6
197.03000	1.6
198.98538	100.0
199.98647	2.7
203.03929	1.6
210.98505	3.9
213.00139	2.3
215.04060	0.9
216.99594	45.2
217.99765	0.9
221.04787	0.8
222.00117	2.2
222.98534	1.4
223.19009	0.5
225.00081	1.4
227.04054	1.6
228.99612	10.3
234.98503	4.5
240.01262	0.8
240.99582	15.2
243.01175	1.1
245.05072	7.6
247.00681	2.4
252.99651	2.9
257.05084	0.8
259.00641	16.7
263.06192	1.8
264.99115	0.8
271.00671	1.4
271.07147	1.9
275.06171	1.4
277.01682	4.8
282.02176	0.7
283.00583	8.4
284.01074	0.7
301.01691	29.8
305.06931	0.8
319.02713	8.5
342.04172	0.9
343.02863	2.3
353.40515	0.6
365.09259	0.9
373.03998	1.1
445.12537	1.3
463.06799	5.9
463.12534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
55.05510	5.8
56.96562	1.9
67.05506	12.5
69.03416	8.9
69.06356	1.5
69.07063	5.6
70.06595	1.8
71.04980	1.7
71.59791	1.7
73.29951	1.3
74.68717	1.5
79.05488	6.2
80.34576	1.4
81.03427	8.7
81.07063	15.0
83.01363	2.0
83.04972	4.1
83.08631	5.0
84.08180	1.6
85.02911	12.2
91.05484	6.3
93.07047	5.4
95.04968	2.3
95.08607	18.3
97.02898	3.0
97.06537	6.4
97.10181	2.6
98.97531	1.9
99.04446	3.3
100.11266	3.6
105.07040	7.6
107.04964	3.6
107.08604	4.9
108.05698	1.6
108.08157	1.4
109.02874	8.5
109.06495	2.4
109.10130	9.4
111.04442	8.1
111.11544	1.4
116.98664	2.0
117.07045	2.4
119.08572	7.1
121.06503	2.8
121.10148	4.9
122.07313	1.8
123.08070	12.3
123.11739	2.6
127.03909	11.0
129.07010	2.1
131.08589	5.2
133.06422	1.8
133.10133	4.7
134.99644	1.6
135.08041	9.9
135.11734	2.1
135.97520	1.7
136.06242	1.8
137.09604	11.6
137.13246	1.7
141.11456	1.5
143.08560	3.6
145.06583	1.7
145.10141	8.7
147.08022	1.7
147.11711	2.5
149.09636	7.4
149.13222	2.3
150.09160	2.3
151.07538	83.4
155.08565	1.7
157.10127	4.3
159.08083	5.5
159.11708	3.3
162.06754	2.1
163.07576	1.9
163.11201	6.9
163.14771	1.5
165.09113	100.0
172.08829	1.9
173.09639	7.0
175.07602	3.5
176.08318	7.6
177.00711	1.6
177.09102	53.7
177.12685	2.0
182.15381	1.8
187.11211	2.7
190.09915	4.4
191.10666	90.5
203.10677	1.8
204.06644	1.7
205.12231	64.1
209.16507	1.9
210.14928	2.8
219.13737	3.6
277.18134	1.5
285.10205	2.0
338.40829	1.6
415.32089	4.2
461.14465	7.7
461.33240	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01876	9.9
55.05516	21.9
56.96558	9.5
57.03438	8.1
57.07062	5.0
59.04980	4.1
60.04518	2.7
61.02917	6.2
63.30594	1.7
67.05499	13.1
68.99775	4.5
69.03428	61.6
69.07067	41.6
70.06576	5.6
71.01327	1.8
71.04993	13.8
71.60143	2.2
73.02919	9.3
76.60583	1.6
79.05492	9.5
81.03418	40.5
81.07059	31.0
82.07430	1.7
83.04971	12.3
83.08596	7.2
85.02907	100.0
85.06544	18.5
86.09687	6.3
87.00832	32.0
87.04513	2.3
91.03958	2.3
91.05477	5.3
93.07037	13.1
95.04982	1.9
95.08607	38.0
95.96051	1.5
97.02899	30.0
97.06528	10.5
97.10183	11.1
98.97608	1.9
99.04456	14.2
99.08091	24.8
101.02347	1.8
103.03967	2.4
105.01869	24.5
105.07041	5.3
107.08587	26.2
109.02877	43.1
109.06539	2.4
109.10169	14.6
111.08095	2.8
111.11727	10.6
113.09664	11.2
117.01827	4.8
117.06981	2.2
119.08585	3.2
121.06487	1.9
121.10130	26.6
122.78811	1.9
123.08096	3.6
123.11701	9.3
125.09634	8.5
127.03917	78.4
127.11199	2.0
129.01802	4.6
133.10115	5.9
135.08119	2.3
135.11696	17.2
137.09595	3.5
137.13255	15.0
139.11191	7.4
145.04961	27.8
145.10196	1.8
147.02879	2.9
149.13249	5.7
151.07538	2.5
151.14821	5.3
153.12749	17.8
157.12195	1.5
159.02878	24.0
159.04077	1.9
159.11650	1.9
163.11142	2.5
167.07050	4.2
171.11696	2.1
175.14856	2.0
177.09206	1.7
177.12892	1.9
177.16388	62.6
189.03952	2.3
191.14349	1.7
195.13857	2.1
195.17450	65.5
199.11212	3.1
209.68263	1.5
212.97313	2.4
213.03896	3.9
213.18518	44.9
231.05000	16.8
232.60956	1.5
233.04758	2.4
235.02859	1.9
249.05971	1.8
251.05891	3.2
271.06088	4.5
273.08096	2.0
280.27597	1.6
282.13864	1.9
353.03720	5.0
371.04617	6.0
372.05478	1.6
415.03601	3.0
415.16324	4.2
417.20203	1.8
425.30609	2.0
461.24011	10.1
461.30997	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58321	1.4
53.03938	7.5
55.01861	7.5
55.05506	20.7
56.73959	1.6
57.03435	12.3
57.07055	3.4
59.04995	1.5
65.03942	4.1
67.05502	52.0
69.03423	14.4
69.07069	21.2
69.67728	8.0
71.04994	3.7
79.05058	2.4
79.05490	36.1
81.03423	22.3
81.07057	54.6
83.04987	8.4
83.08628	9.8
85.02906	4.7
85.06542	2.1
91.05482	37.3
93.07044	41.6
95.01318	11.7
95.04971	20.8
95.08609	33.8
96.88689	1.8
97.02905	19.5
97.06535	5.5
97.10155	4.9
98.73345	1.7
99.04475	4.9
99.08095	1.6
103.03914	4.2
103.05464	3.3
105.07029	43.1
107.04942	6.5
107.08586	23.3
109.00530	2.2
109.02875	8.4
109.06519	8.5
109.10167	15.3
111.04456	5.7
111.08098	2.1
115.03936	2.0
115.05497	3.1
117.07020	22.8
119.04911	2.4
119.08585	25.7
121.06505	6.5
121.10133	16.5
123.04432	7.4
123.08060	3.2
123.11723	4.4
125.09594	2.5
127.03880	4.0
128.06215	8.7
129.06987	22.9
131.04915	4.0
131.08578	32.9
133.06483	9.5
133.10139	18.2
135.04402	3.1
135.08054	4.5
135.11696	10.4
137.06053	3.3
141.06990	8.6
142.07780	6.6
143.08556	19.3
145.06451	10.3
145.10117	21.8
146.07306	1.9
147.08051	7.4
147.11684	14.0
149.05956	3.3
149.09605	5.0
149.13271	4.8
151.07532	2.3
153.06935	1.8
154.07779	2.8
155.08557	11.6
157.06482	9.4
157.10118	17.6
159.08052	9.2
159.11690	14.1
161.06032	6.0
161.08437	1.8
161.09641	6.9
161.13283	8.3
163.14719	2.4
165.07066	2.7
165.09102	2.4
167.08575	7.0
169.10068	9.4
171.06720	2.8
171.08002	8.8
171.11723	14.2
173.09650	5.0
173.13252	11.3
175.07539	8.1
175.11186	4.5
177.09163	1.8
177.12831	1.9
179.08615	2.4
181.10031	4.0
182.05774	3.9
182.10933	2.2
183.06570	3.3
183.08060	3.6
183.11693	9.6
184.08812	2.3
185.09587	8.9
185.13252	13.0
187.07585	3.7
187.11174	6.0
187.14851	5.4
189.09114	3.2
189.12804	4.6
191.10648	2.7
193.10089	1.8
195.11713	4.9
197.09637	3.4
197.13235	7.8
199.11200	5.1
199.14867	6.7
201.09093	3.6
201.12784	3.1
203.10684	4.9
203.14252	2.2
207.11830	1.8
209.13248	5.9
211.11159	3.7
211.14824	3.4
213.12749	7.5
213.16302	4.3
215.14322	2.4
217.12268	2.8
221.13351	2.2
223.14938	2.3
225.12746	4.7
225.16353	2.3
227.14319	3.3
229.12228	2.1
239.14453	2.6
241.15756	2.4
241.19513	3.0
253.15933	2.1
253.19539	2.3
259.20599	5.7
261.22168	2.3
267.17517	2.5
271.20630	2.9
289.21771	2.3
297.22116	3.8
301.18289	1.8
301.21674	4.2
303.23303	2.5
309.22079	3.0
311.23892	1.9
315.23260	4.4
323.23801	4.5
327.23230	8.9
333.21967	2.3
335.25851	10.4
341.24869	11.9
345.24277	2.9
351.23010	17.5
359.26132	2.3
369.24216	45.5
387.25497	10.8
401.26910	1.9
413.27258	1.8
425.26898	6.0
433.29584	2.5
441.55225	2.1
441.61148	1.9
443.27939	53.2
444.28848	3.3
461.28995	100.0
462.29312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01881	5.9
55.05507	9.9
56.53510	2.1
56.96554	4.1
57.03429	4.9
61.02906	3.4
65.03947	2.2
65.15057	2.1
67.05493	10.1
69.03432	21.8
69.07059	15.6
70.06573	3.9
71.01595	6.1
71.04986	7.4
73.02925	3.0
79.05484	15.6
81.03413	15.6
81.07058	32.2
83.04979	4.2
83.08614	7.7
83.85639	2.2
85.02911	32.5
85.06541	100.0
87.00343	2.1
87.00821	13.2
87.04483	2.6
91.05453	15.2
93.07046	25.9
95.04960	3.7
95.08594	18.0
97.02898	14.2
97.06524	30.6
99.04436	7.9
99.08090	2.5
101.30440	2.1
105.01861	9.3
105.07022	15.2
107.08594	19.9
109.02892	11.5
109.06529	5.6
109.10156	9.5
111.08099	3.6
113.05985	2.7
115.03927	4.3
116.98587	2.7
117.06996	4.0
119.08589	19.6
121.10150	51.9
123.08029	3.9
123.11729	3.2
127.03912	17.9
129.06969	3.5
131.08557	8.3
133.06429	2.9
133.10136	7.2
135.08076	4.7
135.11693	4.5
137.09602	3.6
143.08588	3.6
145.04971	5.7
145.06560	2.7
145.10153	4.3
147.08089	2.2
147.11708	3.7
149.13274	28.1
151.07565	5.2
157.10173	5.0
159.02835	4.0
159.11699	9.9
161.13217	5.2
163.03984	3.3
165.09154	4.0
165.12688	3.7
167.14288	5.8
169.10158	3.5
171.11714	6.0
175.14941	2.5
177.12733	28.6
179.14279	5.6
189.03873	2.4
189.12849	4.7
195.10107	2.5
195.13808	61.3
207.13794	4.2
207.87077	2.7
213.14865	27.2
213.18503	3.4
231.13835	2.6
249.14925	3.4
271.06021	6.2
303.15811	4.0
363.18246	3.1
375.19925	4.8
407.17099	6.4
417.21027	7.4
461.19699	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01876	9.9
55.05516	21.9
56.96558	9.5
57.03438	8.1
57.07062	5.0
59.04980	4.1
60.04518	2.7
61.02917	6.2
63.30594	1.7
67.05499	13.1
68.99775	4.5
69.03428	61.6
69.07067	41.6
70.06576	5.6
71.01327	1.8
71.04993	13.8
71.60143	2.2
73.02919	9.3
76.60583	1.6
79.05492	9.5
81.03418	40.5
81.07059	31.0
82.07430	1.7
83.04971	12.3
83.08596	7.2
85.02907	100.0
85.06544	18.5
86.09687	6.3
87.00832	32.0
87.04513	2.3
91.03958	2.3
91.05477	5.3
93.07037	13.1
95.04982	1.9
95.08607	38.0
95.96051	1.5
97.02899	30.0
97.06528	10.5
97.10183	11.1
98.97608	1.9
99.04456	14.2
99.08091	24.8
101.02347	1.8
103.03967	2.4
105.01869	24.5
105.07041	5.3
107.08587	26.2
109.02877	43.1
109.06539	2.4
109.10169	14.6
111.08095	2.8
111.11727	10.6
113.09664	11.2
117.01827	4.8
117.06981	2.2
119.08585	3.2
121.06487	1.9
121.10130	26.6
122.78811	1.9
123.08096	3.6
123.11701	9.3
125.09634	8.5
127.03917	78.4
127.11199	2.0
129.01802	4.6
133.10115	5.9
135.08119	2.3
135.11696	17.2
137.09595	3.5
137.13255	15.0
139.11191	7.4
145.04961	27.8
145.10196	1.8
147.02879	2.9
149.13249	5.7
151.07538	2.5
151.14821	5.3
153.12749	17.8
157.12195	1.5
159.02878	24.0
159.04077	1.9
159.11650	1.9
163.11142	2.5
167.07050	4.2
171.11696	2.1
175.14856	2.0
177.09206	1.7
177.12892	1.9
177.16388	62.6
189.03952	2.3
191.14349	1.7
195.13857	2.1
195.17450	65.5
199.11212	3.1
209.68263	1.5
212.97313	2.4
213.03896	3.9
213.18518	44.9
231.05000	16.8
232.60956	1.5
233.04758	2.4
235.02859	1.9
249.05971	1.8
251.05891	3.2
271.06088	4.5
273.08096	2.0
280.27597	1.6
282.13864	1.9
353.03720	5.0
371.04617	6.0
372.05478	1.6
415.03601	3.0
415.16324	4.2
417.20203	1.8
425.30609	2.0
461.24011	10.1
461.30997	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.6
53.45959	3.8
55.01880	11.3
55.05503	11.2
56.96571	39.1
57.03436	5.2
57.07059	5.6
57.46795	4.1
61.02923	9.6
67.05509	25.1
69.03436	58.6
69.07072	21.8
69.71732	19.9
69.72143	11.1
70.01989	4.3
70.06571	11.0
71.01357	4.4
71.05002	26.8
73.02918	6.1
79.05492	15.4
79.29611	4.1
81.03416	57.4
81.07051	40.7
83.04974	6.6
83.08609	8.7
85.02899	100.0
85.06546	6.2
86.09698	20.1
87.00833	39.3
87.04411	5.0
91.05482	19.3
93.07064	24.1
93.07539	4.5
95.04971	15.2
95.08611	20.1
97.02895	39.9
97.06519	24.1
97.10171	9.2
98.97636	7.2
99.04457	20.3
99.08076	5.3
105.01852	20.7
105.07024	24.8
106.07352	5.2
107.04941	9.6
107.08569	24.2
109.02879	38.4
109.06537	9.9
109.10159	46.9
115.00666	5.3
116.98664	5.5
117.07061	5.4
119.08592	10.5
121.06507	5.0
121.10137	20.2
123.11720	6.6
125.09615	9.6
127.03914	74.9
129.01865	6.0
129.49057	4.6
131.08574	15.8
132.08946	8.6
133.01753	7.7
133.10127	18.6
134.99709	5.4
135.11662	6.3
137.09653	7.5
143.08521	12.4
144.08873	9.7
145.04942	31.9
145.10112	10.5
147.11688	18.8
148.12039	16.5
149.09575	7.4
149.13232	6.8
153.12675	5.0
159.02893	37.1
159.11626	7.1
171.11720	9.1
172.12039	12.4
173.13255	5.2
175.07726	4.0
175.11273	7.8
176.11493	4.9
177.16418	13.2
190.12941	6.1
193.12370	7.7
194.12630	10.8
195.13808	11.6
195.17410	33.0
199.11224	7.1
200.11526	22.1
213.14891	55.9
213.18460	32.4
217.12215	10.1
218.12529	11.1
219.03471	4.9
219.13896	4.7
230.48126	4.2
231.05052	10.0
231.09019	5.6
233.04851	26.6
234.82616	4.8
235.02759	14.7
235.13275	8.4
236.13835	7.2
237.04556	5.3
237.14925	33.6
245.11726	8.3
246.12032	21.1
251.05959	26.1
253.03886	12.1
255.15961	6.9
264.13205	5.9
271.06149	11.7
273.07935	15.3
279.15891	4.7
285.15350	4.7
289.07520	12.1
291.09009	15.2
303.16089	9.8
307.08408	9.1
313.00424	8.9
317.07062	6.9
335.08124	6.4
371.04794	8.7
375.19955	6.8
388.83987	4.7
415.03680	45.1
417.20856	18.6
433.04718	36.4
438.05173	7.3
439.24118	5.2
443.18777	5.4
456.06363	6.0
461.19839	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	461.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.96549	2.2
58.54846	1.1
59.32119	1.3
60.81670	1.1
66.00747	1.2
67.05494	1.8
69.03397	4.7
69.07052	2.1
70.06583	7.7
70.73592	2.6
70.73943	3.5
71.04945	1.5
72.08116	4.2
79.05481	1.8
81.03381	4.6
81.07024	2.5
84.04462	3.9
84.08128	3.5
85.02879	5.1
85.06541	1.6
86.09728	7.6
89.06037	11.2
90.06332	4.1
91.05477	3.1
91.06447	1.5
93.07024	3.2
95.04956	1.5
95.08591	2.6
97.02874	2.9
97.06496	1.2
98.97538	2.0
102.06376	1.1
105.07014	3.3
107.04934	1.9
107.08566	1.3
110.07140	3.0
110.67127	1.2
116.98605	1.9
117.06999	2.1
119.08528	1.4
120.08073	3.1
127.03908	3.0
127.16519	1.2
130.25787	1.3
131.08493	2.7
133.08592	4.6
134.08914	1.5
135.08063	1.5
135.11702	1.9
137.09549	1.9
145.04881	1.2
147.11693	1.5
161.13086	1.3
162.92708	1.6
163.07497	1.5
167.06941	2.0
185.04179	17.2
195.13841	2.1
203.05299	15.8
251.06956	1.4
273.09702	1.7
299.11014	68.7
300.11227	2.0
311.24210	1.3
317.11700	1.3
320.61813	1.4
340.13910	1.5
417.20532	2.6
461.16006	100.0
462.16208	2.3
486.98273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01859	0.7
55.05509	8.0
57.03434	8.8
57.07077	0.9
60.15066	0.6
65.03926	0.8
67.05501	29.1
69.03421	1.4
69.07061	8.6
70.93204	1.3
70.93567	1.3
78.94058	0.6
79.05054	1.1
79.05494	17.2
80.60538	0.6
81.03409	1.5
81.07053	26.7
83.04972	1.2
83.08611	2.4
85.06548	0.7
91.05479	8.6
93.07042	17.9
95.04974	3.3
95.08604	21.6
97.06527	1.5
97.10134	1.2
100.29115	0.7
105.07030	5.6
107.08585	7.3
108.02154	0.8
109.00504	3.8
109.10160	7.9
111.08086	0.9
116.18872	0.6
117.07009	1.3
119.08553	4.8
121.10145	6.8
123.08075	1.1
123.11703	2.3
126.03150	4.8
131.08557	3.5
133.10100	2.5
135.11684	2.7
137.00041	0.8
142.66449	0.7
145.10132	2.3
145.91203	0.7
147.11601	1.0
147.75600	0.7
149.13260	1.8
153.03905	0.6
159.11694	1.6
161.13235	0.7
163.14865	0.9
164.04684	1.7
165.03117	2.0
182.05774	13.0
261.22168	0.8
335.25781	100.0
336.26245	3.8
351.22861	0.9
351.86722	0.7
397.64435	0.9
442.27005	0.9
443.27829	1.2
461.28751	1.5
469.49460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33055	1.9
58.87315	2.0
69.03434	2.0
70.06580	3.1
70.31226	7.0
72.08172	2.4
74.09724	3.4
79.05475	4.9
81.07062	5.9
84.08141	8.4
85.02911	4.7
86.09713	7.8
91.05481	5.5
93.07054	4.0
95.08677	2.5
105.07036	14.8
106.86329	1.9
117.07019	7.9
119.08568	2.7
120.08091	3.4
127.03942	3.4
128.06194	4.7
129.07011	12.4
131.08540	11.6
133.06465	2.2
137.06015	2.6
141.06976	3.2
142.07809	3.0
143.08559	40.9
145.10132	14.8
146.21849	1.9
155.08530	3.1
156.09346	8.6
157.06514	2.1
157.10135	2.7
161.06032	3.9
165.07019	2.7
166.07747	4.6
171.11684	92.6
173.13258	4.3
175.07553	3.1
181.10056	12.5
189.12672	2.6
199.11169	42.1
210.29742	1.9
217.12244	100.0
218.12611	2.8
227.10739	6.7
245.11736	28.9
245.73184	1.9
263.12811	7.5
337.00882	2.2
389.76514	2.0
460.18240	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	460.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75140	0.6
55.05515	8.8
57.05812	1.0
69.03429	0.8
69.68068	0.6
70.03342	0.7
70.44646	1.5
70.45024	1.7
72.08159	100.0
85.02914	2.7
85.18257	0.6
97.02922	1.1
97.38497	0.6
116.23675	0.8
118.08660	73.5
127.03940	2.0
145.04988	1.9
170.05591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69740	2.4
53.03933	4.8
55.01880	5.2
55.05518	4.1
56.96568	82.2
57.03429	2.7
61.46012	2.4
61.98736	2.2
67.05492	5.0
69.03413	6.8
69.07064	4.7
69.41860	20.1
69.42274	5.4
70.06582	9.7
70.76931	2.7
71.04958	2.8
72.08145	4.2
74.97616	2.2
75.90128	2.2
79.05511	4.3
81.03411	3.2
81.07043	9.9
84.04498	4.2
84.08156	3.7
85.02900	10.9
85.53780	2.4
86.09702	12.6
87.00795	2.2
87.10001	2.5
88.03991	2.7
88.65427	2.7
91.05486	20.2
93.07042	6.0
93.70299	2.3
95.04935	2.4
95.08575	2.4
97.06519	4.5
98.21539	3.9
103.05427	2.4
105.01813	3.2
105.07023	36.3
107.04955	6.6
107.08544	3.7
109.02875	3.8
115.00685	8.1
116.98590	3.6
117.06996	4.0
119.04942	3.0
119.08589	14.8
120.08108	3.6
121.06451	3.3
127.03938	4.7
128.06230	5.5
129.06989	9.6
131.00117	5.6
131.08572	26.2
133.01753	24.5
133.10092	3.7
137.05965	4.8
142.07764	3.6
143.08563	51.1
145.06529	2.7
145.10118	28.1
147.04466	4.1
147.11688	73.9
149.01170	6.9
151.02762	10.1
153.01871	2.9
155.08569	4.6
156.09335	9.2
157.10088	9.3
158.26997	2.3
159.08054	2.7
161.09621	2.4
166.07744	3.3
167.02271	3.6
169.28288	2.4
171.11699	43.1
173.13264	5.4
175.11163	17.4
177.00623	3.0
181.10139	16.1
184.08807	5.1
189.12775	12.1
190.35635	2.5
193.12263	28.3
199.11180	45.5
201.12476	2.9
204.06923	2.5
207.03355	5.9
212.97418	22.3
213.14885	3.1
215.03839	3.9
217.12224	43.5
225.04243	5.1
230.98383	6.9
233.04845	47.6
235.02776	26.5
235.13290	31.8
235.99261	3.0
239.05769	2.6
245.11725	63.8
247.02875	3.4
251.05887	46.2
253.03830	19.6
255.07033	7.1
263.12784	22.4
265.03888	4.8
265.07602	4.9
273.07977	56.6
287.05472	13.0
289.07446	9.0
291.09094	41.1
293.62949	2.5
299.05600	5.1
305.07068	3.2
307.08478	4.2
323.51190	2.7
335.02475	5.8
353.03629	52.1
365.06476	3.2
371.04736	100.0
376.04996	5.8
389.05820	3.7
394.06042	6.9
415.03671	34.3
433.04840	30.4
438.05255	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	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03949	8.8
54.67455	0.9
55.01875	9.9
55.05503	1.5
57.03433	6.3
60.04505	2.1
61.02926	6.1
65.62416	0.9
67.05496	1.7
68.99792	4.7
69.03427	33.6
69.36320	7.4
69.36732	1.5
71.01388	0.9
71.04971	4.8
72.33989	0.9
73.02921	9.2
79.05490	3.3
81.03416	31.9
81.07059	2.3
83.01334	1.2
83.08636	1.1
85.02904	79.6
87.00828	32.5
87.04453	1.5
91.03960	3.0
91.05452	1.9
93.07059	1.4
95.04953	1.1
95.08593	1.5
97.02891	29.4
97.06499	1.1
98.06054	1.4
98.20673	1.8
98.97581	1.4
99.04454	14.8
103.05466	6.7
105.01868	27.1
105.07019	4.9
106.85533	0.9
107.04949	7.5
107.08611	1.2
108.04476	10.0
109.02878	33.3
111.04386	1.0
115.03882	1.3
117.01853	4.5
120.05672	1.0
126.05550	4.6
127.03915	54.1
129.01814	3.3
131.04893	2.4
133.10112	0.9
135.08032	8.2
139.03876	3.8
143.08485	0.9
145.04958	24.1
147.02962	1.9
152.61295	0.9
153.05531	0.8
154.06248	33.7
159.02884	18.5
159.11530	0.9
163.07541	27.6
167.07030	3.4
180.07848	1.6
185.43147	0.9
189.03957	1.1
195.10165	100.0
207.10292	1.2
213.03943	2.5
219.10258	1.1
230.06575	1.7
231.05009	11.0
243.10072	1.2
248.07608	6.6
249.05907	1.4
263.12686	1.6
266.08630	1.4
271.07928	0.8
281.13901	2.8
303.12177	1.8
442.31464	1.7
460.22116	1.5
460.32794	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05504	1.2
56.96553	1.3
59.05006	0.6
67.05497	1.2
69.03427	3.3
69.07072	1.9
69.89079	2.2
69.89491	0.8
70.06586	3.2
71.04974	1.0
72.08150	7.4
73.02917	0.8
73.06553	1.4
79.05489	1.4
81.03429	0.8
81.07056	1.6
83.04964	0.7
84.04501	0.9
84.08122	1.1
85.02895	3.7
85.06534	0.8
86.09706	9.4
87.00850	0.7
87.04468	7.4
89.06031	100.0
91.05482	2.2
91.07616	0.9
93.07045	1.8
95.04972	1.0
95.08607	1.0
97.02891	1.9
97.06528	1.2
98.97582	1.5
99.04477	0.5
103.05479	1.6
105.07030	2.1
106.57466	0.4
107.04961	9.0
107.07064	6.0
107.08617	1.6
109.02898	0.6
109.06545	0.6
109.10162	0.6
111.08072	0.6
115.03933	0.5
115.05482	0.5
116.98615	1.4
117.07059	0.8
117.09132	0.7
119.08598	1.7
120.08128	0.5
121.10163	1.0
123.04443	0.7
123.08055	0.9
125.02330	0.7
127.03941	1.5
130.08678	1.6
131.04942	0.8
131.07043	2.2
131.08571	1.0
132.10179	0.4
133.08601	54.2
134.99670	1.2
135.08070	3.6
135.11671	0.7
135.63380	0.4
137.05971	1.5
137.09610	2.6
145.04993	0.8
145.10175	1.2
146.99590	0.8
147.11723	1.0
158.99644	1.0
161.13293	0.4
163.07535	8.8
163.11122	0.5
167.07065	7.2
169.01361	0.9
169.11993	0.5
171.11633	0.6
171.14922	1.0
173.09671	0.7
175.09680	0.6
177.00664	0.9
177.11221	12.0
185.16534	1.8
193.12212	0.9
195.10204	6.4
199.18134	0.7
211.13303	2.2
213.04346	0.7
213.11160	0.9
213.16052	1.9
217.12193	0.6
219.01755	0.7
221.13895	1.0
227.05872	0.5
237.02823	0.7
243.13503	1.3
247.12978	1.9
261.02841	0.5
261.14658	1.0
291.07986	0.6
297.16852	0.5
335.08353	0.6
337.30136	0.5
373.18295	1.3
397.18445	0.5
415.19409	3.2
441.17166	2.5
459.18036	7.9
459.27405	0.6
475.69116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
55.05505	3.4
57.21838	0.9
58.04238	0.9
58.89132	0.9
62.76459	0.9
67.05500	6.9
69.03414	2.5
69.07056	4.3
69.42235	9.4
79.05495	8.6
81.07054	25.3
83.04968	4.9
83.08607	2.2
89.06068	1.2
91.05486	5.9
93.07040	12.6
95.04955	1.2
95.08602	13.4
97.06514	1.6
97.10165	1.4
98.21518	1.7
105.07028	11.9
107.04954	2.9
107.08592	13.5
109.06529	2.0
109.10155	8.0
111.08080	5.2
117.06990	4.9
119.08582	10.9
121.06519	1.6
121.10147	8.4
123.08146	1.2
123.11704	3.9
129.07019	2.0
131.08553	7.4
133.10112	10.4
135.08069	9.6
135.11681	12.5
137.09570	1.7
139.45084	1.0
141.11223	1.1
142.07829	1.2
143.08566	4.3
145.10153	11.8
147.08055	2.0
147.11668	8.6
149.09630	2.3
149.13260	3.4
155.08577	1.8
157.10144	9.7
159.08047	4.8
159.11671	9.4
161.09579	7.4
161.13281	3.2
163.11166	3.4
163.14867	1.6
171.11700	3.9
173.09572	3.1
173.13313	4.0
174.10385	1.6
175.11186	8.9
175.14813	4.1
177.12689	1.5
183.11714	1.7
185.13269	5.2
187.11182	2.5
187.14810	5.7
189.12775	2.8
191.10657	2.4
191.14113	1.0
192.11493	2.5
197.13251	2.4
199.14822	4.4
201.12730	1.7
201.16324	2.9
205.12335	1.1
205.17650	1.1
207.13846	1.2
209.13284	1.2
211.14859	3.5
213.16362	1.9
215.14310	1.3
225.16463	2.0
227.14374	1.1
227.17955	1.6
229.15894	1.4
237.16327	1.4
239.17911	1.3
269.19043	2.1
285.18576	1.7
287.20117	1.3
293.22641	1.6
311.23730	3.8
331.10577	1.1
339.22980	1.1
344.27127	2.1
345.25760	1.8
363.26874	4.2
377.06595	1.2
381.27786	6.3
399.28934	100.0
400.29355	4.3
403.20743	1.4
459.34656	91.0
460.35181	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01880	9.3
55.05509	32.6
55.66467	1.8
56.96565	3.1
57.03423	8.7
57.07065	1.9
59.04987	3.4
60.95103	2.0
65.03931	2.0
67.05507	31.1
69.03433	14.0
69.07065	16.6
69.48681	16.8
69.78579	2.0
71.04984	7.9
72.80120	2.1
76.16917	1.8
79.05492	38.4
81.03416	56.5
81.07056	36.2
83.04972	10.9
83.08614	23.2
85.02908	26.2
85.06557	2.4
87.00814	9.3
91.05485	33.9
91.06017	3.7
93.07037	30.3
93.92702	1.9
95.04964	29.5
95.08604	27.8
96.33013	1.9
97.02882	7.9
97.06534	16.9
97.10165	17.8
98.20792	4.6
98.97591	4.2
99.04449	4.0
99.08088	3.1
105.01858	5.6
105.07029	31.8
107.04947	13.3
107.08591	24.3
109.02879	10.7
109.06498	15.7
109.10136	15.9
111.04417	2.6
111.08064	8.3
111.11773	2.2
115.03935	2.1
115.05460	3.8
116.98612	2.9
117.07011	13.4
119.04964	4.3
119.08569	28.4
121.06496	12.9
121.10133	13.6
123.04396	3.1
123.08063	14.4
123.11710	13.7
125.05963	2.9
125.09618	14.9
127.03925	13.7
128.06218	4.8
129.07001	17.2
131.04956	3.8
131.08548	17.6
133.06497	9.2
133.10129	28.9
135.08049	6.7
135.11694	18.7
137.06007	6.1
137.09625	8.2
141.07014	2.9
143.08537	6.0
145.04979	5.6
145.06485	27.3
145.10138	9.3
147.04341	1.9
147.08063	9.4
147.11650	11.4
149.09621	7.7
149.13235	15.9
151.07526	2.9
151.11113	2.1
153.09145	2.5
155.08551	6.9
157.06506	7.3
157.10118	9.9
159.02991	2.3
159.08034	6.8
159.11702	4.8
161.05998	5.4
161.09637	3.0
163.11177	4.2
165.07011	2.7
165.08958	2.9
165.12743	3.6
166.07668	2.1
167.08618	2.6
169.06548	3.6
169.10155	4.3
171.08067	6.8
171.11679	7.3
173.09647	6.1
175.07539	2.9
175.11197	7.8
175.14813	27.2
177.05521	2.5
177.12920	2.0
179.07048	2.8
183.11723	3.0
185.09669	4.1
185.13329	2.9
189.09042	2.3
189.11208	8.1
189.12749	3.9
191.14323	2.4
193.12233	26.9
193.15871	41.2
195.11693	6.2
197.09665	3.3
197.13295	4.6
199.11220	4.7
209.13362	2.3
211.11295	2.7
211.13127	2.4
211.16922	43.6
211.18985	2.3
213.12740	2.5
215.14291	6.0
217.12192	2.3
221.15428	2.5
225.12843	2.8
227.14253	4.3
231.13788	3.2
233.15344	3.9
235.11110	2.1
237.12729	3.6
255.13861	8.9
271.16840	3.1
273.14871	20.0
275.16635	2.8
281.15427	2.0
287.16238	2.8
301.09235	2.1
301.18201	2.5
311.16440	2.4
339.23138	7.2
339.27908	1.8
349.21542	17.4
356.79459	2.1
357.24149	4.3
367.22647	41.4
373.15323	9.0
385.23746	41.8
403.24792	5.4
405.24359	3.3
415.17160	2.6
441.26218	7.4
459.27365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01878	9.4
55.05512	25.9
56.96552	11.9
57.03434	15.4
59.94982	6.0
67.05505	39.2
69.03439	37.2
69.07079	32.6
70.85458	8.2
70.85810	15.7
71.05006	9.2
79.05495	29.4
81.03411	39.1
81.07049	65.6
83.04977	12.6
83.08629	18.3
85.02895	59.8
85.06547	10.0
87.00843	20.3
91.05477	32.9
93.07030	51.9
95.04971	38.8
95.08614	50.1
97.02905	20.8
97.06512	45.5
97.10159	14.7
99.04449	9.3
105.01890	26.0
105.07040	37.9
107.04954	12.7
107.08585	45.4
109.02890	26.0
109.06508	22.5
109.10166	26.5
115.05466	10.1
117.07050	8.5
119.08588	34.5
121.06537	11.1
121.10164	24.0
123.08080	16.9
123.11706	49.1
127.03904	31.8
129.06956	9.9
131.08633	16.6
133.10095	51.6
135.08092	11.5
135.11646	35.4
137.06042	12.0
137.09576	14.9
143.08533	14.2
145.04915	13.0
145.06468	12.0
145.10127	10.7
147.08086	6.7
147.11690	7.5
149.13284	22.6
151.07539	23.2
151.11171	7.1
157.10156	12.2
159.11736	10.0
161.06013	9.2
165.09117	13.3
169.10141	8.9
175.11157	11.1
175.14862	29.1
191.10587	7.7
193.15958	43.9
193.25293	7.9
211.16948	100.0
231.05135	9.3
313.96759	7.6
317.69354	7.8
367.22513	13.4
385.23819	14.5
434.48380	7.2
459.21674	11.3
459.27347	32.6
459.33838	9.1
477.53583	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.8
53.03929	1.7
55.05506	6.8
57.03444	1.7
57.07066	2.4
59.04998	2.0
60.31703	0.9
67.05164	1.2
67.05501	15.0
67.79464	1.2
69.03430	9.4
69.07066	9.5
70.84874	2.0
70.85223	1.0
71.04985	3.4
71.08598	1.1
79.05505	2.8
81.03412	2.7
81.07053	15.3
83.04968	8.2
83.08625	6.9
85.02902	9.1
85.06547	3.5
87.00824	3.0
91.05479	2.5
93.07046	6.5
95.08605	31.4
97.02872	2.2
97.06493	1.3
97.10169	2.2
99.08096	3.1
105.01864	3.1
105.07019	5.6
106.17182	1.0
107.08587	20.0
107.40697	0.9
109.02860	2.7
109.06510	7.5
109.10151	100.0
110.10513	1.8
111.08079	2.1
113.09666	1.0
117.06915	0.9
119.08581	38.4
121.10130	11.9
123.08057	11.1
123.11705	7.7
125.09608	1.5
127.03901	4.1
133.08585	1.3
133.10118	20.9
135.11687	94.4
136.12045	2.2
137.09598	13.3
139.11179	2.4
147.11681	1.9
148.86972	0.9
149.13254	7.0
151.11200	8.1
151.14806	9.2
153.12735	2.0
165.16379	2.1
175.14818	42.0
176.15233	0.9
183.98415	0.9
193.15875	71.2
194.16196	1.5
211.16917	62.0
212.17310	1.1
405.55670	0.9
437.14908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01878	9.4
55.05512	25.9
56.96552	11.9
57.03434	15.4
59.94982	6.0
67.05505	39.2
69.03439	37.2
69.07079	32.6
70.85458	8.2
70.85810	15.7
71.05006	9.2
79.05495	29.4
81.03411	39.1
81.07049	65.6
83.04977	12.6
83.08629	18.3
85.02895	59.8
85.06547	10.0
87.00843	20.3
91.05477	32.9
93.07030	51.9
95.04971	38.8
95.08614	50.1
97.02905	20.8
97.06512	45.5
97.10159	14.7
99.04449	9.3
105.01890	26.0
105.07040	37.9
107.04954	12.7
107.08585	45.4
109.02890	26.0
109.06508	22.5
109.10166	26.5
115.05466	10.1
117.07050	8.5
119.08588	34.5
121.06537	11.1
121.10164	24.0
123.08080	16.9
123.11706	49.1
127.03904	31.8
129.06956	9.9
131.08633	16.6
133.10095	51.6
135.08092	11.5
135.11646	35.4
137.06042	12.0
137.09576	14.9
143.08533	14.2
145.04915	13.0
145.06468	12.0
145.10127	10.7
147.08086	6.7
147.11690	7.5
149.13284	22.6
151.07539	23.2
151.11171	7.1
157.10156	12.2
159.11736	10.0
161.06013	9.2
165.09117	13.3
169.10141	8.9
175.11157	11.1
175.14862	29.1
191.10587	7.7
193.15958	43.9
193.25293	7.9
211.16948	100.0
231.05135	9.3
313.96759	7.6
317.69354	7.8
367.22513	13.4
385.23819	14.5
434.48380	7.2
459.21674	11.3
459.27347	32.6
459.33838	9.1
477.53583	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.6
64.25859	4.0
67.05496	20.1
69.03413	10.3
69.07060	10.5
69.32246	26.6
69.32669	21.1
71.93596	4.9
79.05489	6.4
81.03429	13.7
81.07052	29.8
83.04980	11.4
83.08630	8.7
85.02897	16.5
87.00809	7.8
91.05459	5.5
93.07056	15.4
95.04970	7.2
95.08611	36.8
97.06551	5.7
105.01865	4.7
105.07030	5.9
107.04943	33.8
107.08601	28.8
107.10460	4.2
109.06512	10.4
109.10159	100.0
111.08063	7.4
119.08570	37.4
121.10150	15.9
123.08055	16.7
123.11687	7.6
127.03927	13.0
131.82422	4.6
133.10107	26.5
135.11696	72.8
137.09631	19.3
147.11635	9.5
149.13257	11.7
151.11182	5.6
151.14822	9.0
159.90321	5.0
161.09726	4.8
175.14853	37.8
191.14296	9.7
192.14587	8.0
193.15941	42.6
196.30925	5.5
211.16908	86.5
265.70544	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	459.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97883	0.5
53.03936	0.6
55.01876	1.4
55.05513	3.1
56.96557	1.3
57.03444	0.9
57.07057	0.7
58.99585	2.5
61.43073	0.5
63.63071	0.6
67.05508	4.5
68.05010	1.2
69.03423	2.2
69.07066	2.7
69.38844	2.6
69.39276	3.0
70.06592	0.7
71.04985	0.8
72.08160	0.8
73.02890	0.8
75.33330	0.6
79.05501	3.4
80.05020	13.1
81.03434	2.9
81.07058	8.0
83.04943	0.7
83.08630	2.2
84.04500	2.3
84.08164	1.1
85.02907	2.7
85.06543	1.5
86.06069	1.4
86.09681	1.2
86.99047	1.7
91.05503	3.0
93.07043	3.8
95.04977	1.6
95.08614	7.9
96.04492	1.9
97.01133	0.7
97.02903	1.0
97.06533	4.8
97.10178	1.9
98.20741	1.3
98.97589	0.8
99.04449	0.9
100.11238	0.7
105.07033	5.1
107.04943	1.8
107.08582	3.3
108.04488	2.2
109.02866	1.2
109.06522	1.1
109.10142	2.9
111.08089	0.8
114.03762	12.4
116.01679	7.8
116.98608	0.7
117.07012	1.0
119.08589	4.3
121.06519	1.2
121.10152	2.0
123.08106	1.0
123.11670	1.1
124.02205	0.7
127.03957	1.0
131.08592	1.2
133.06526	0.8
133.10130	2.8
134.99646	0.6
135.08028	0.6
135.11731	2.9
136.03932	2.4
137.13272	0.8
138.05513	0.6
141.06926	0.7
142.03224	100.0
143.03537	1.2
143.08594	1.0
144.01158	2.2
145.06503	1.3
145.10146	1.4
147.11714	0.9
149.13284	0.8
155.08501	0.7
157.10083	0.9
159.11693	0.8
161.13286	4.9
162.02197	6.0
165.09082	1.4
169.10187	0.7
170.02718	32.9
173.09676	0.8
179.08606	0.7
179.14281	3.4
185.13412	0.9
187.14345	0.7
193.06129	1.2
193.12180	1.2
193.15894	0.8
197.15379	1.7
199.05348	4.2
211.07155	1.2
211.11337	0.8
211.13275	0.7
213.13029	0.8
213.14891	0.6
227.04858	5.6
245.05928	29.2
255.14198	1.8
269.15991	1.6
273.15182	2.4
279.14508	1.0
338.17908	3.7
349.21503	0.8
356.19025	0.9
366.17157	0.9
367.22681	1.7
385.23779	1.5
399.24298	1.2
441.20233	1.2
459.21631	2.6
459.27341	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	459.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.6
55.05503	2.9
56.96558	1.7
57.03426	1.4
57.07064	0.5
58.99581	4.4
61.02915	0.7
67.05502	5.8
68.05024	1.3
69.03413	1.6
69.07079	3.5
69.34757	5.2
71.05009	1.0
76.03996	1.0
79.05497	3.3
80.05013	13.2
81.03413	2.7
81.07052	8.0
83.04975	2.6
83.08611	2.6
84.04507	2.7
85.02891	1.6
85.06062	0.5
85.06542	2.2
86.06053	1.6
86.99043	1.5
88.02234	0.9
91.05484	4.1
93.07053	3.7
95.04973	1.9
95.08603	9.9
96.04484	1.9
97.01105	0.8
97.02837	0.7
97.06534	3.9
97.10155	1.1
98.20759	0.8
98.97541	0.6
99.02665	0.9
99.08112	0.5
101.06028	0.5
105.07034	3.6
107.04961	5.4
107.08589	2.2
108.04482	3.3
108.05125	0.7
109.02880	1.2
109.06522	1.0
109.10160	3.2
111.02699	1.0
111.08089	1.3
114.03751	15.2
116.01688	9.2
116.98571	0.9
117.06986	0.9
119.08582	4.3
119.11756	0.6
121.06509	0.9
121.10167	2.0
123.08021	0.8
125.09653	0.7
127.03902	1.5
129.07019	1.3
131.08548	1.4
133.10133	2.7
135.11664	1.1
136.03957	3.3
137.09616	1.2
137.13312	0.6
142.03218	100.0
143.03514	1.2
143.08534	0.6
144.01122	3.0
144.04803	0.5
145.10077	1.6
147.11707	0.8
149.01454	0.6
149.13312	0.6
151.07608	0.8
155.08473	0.8
157.10139	1.5
159.08017	0.7
159.11693	1.3
161.13225	5.8
162.02197	6.3
162.13605	0.6
163.03934	0.7
165.09097	2.9
167.07066	1.0
170.02710	34.1
172.58737	0.5
173.09654	0.7
175.14819	0.6
179.14305	4.2
193.06114	1.4
193.12157	0.7
193.15892	0.6
197.15347	2.8
199.05333	5.4
199.11208	0.6
207.08310	0.7
211.07259	2.0
211.16972	0.8
219.01801	0.7
227.04822	6.2
245.05907	34.2
255.14229	2.0
273.15195	4.2
297.15771	0.5
338.17789	4.7
355.15326	0.7
356.19098	1.6
366.17346	1.3
367.22586	0.8
385.23688	0.9
400.25763	0.6
423.19244	1.0
431.22000	0.7
441.20859	1.2
459.11929	0.6
459.21729	2.5
459.27536	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
58.99568	2.6
64.11777	0.4
67.05508	3.6
68.05010	1.0
69.03426	0.7
69.07058	1.8
71.05011	1.4
71.05457	0.8
74.41861	0.4
76.03996	0.7
79.05476	2.1
80.04559	0.8
80.05016	13.8
81.03413	1.5
81.07054	6.2
83.04991	0.6
83.08605	1.6
84.04488	2.2
85.02913	1.3
85.06539	1.2
86.06073	1.3
86.99033	2.2
87.02675	0.7
88.02189	0.5
91.05489	3.0
93.07042	2.1
95.04979	0.8
95.08609	6.8
96.04491	2.3
97.01107	0.9
97.06512	1.7
97.10138	0.5
98.99052	0.4
105.07026	2.7
107.04941	1.4
107.08593	1.6
108.04494	3.0
109.02892	0.9
109.10181	1.0
110.05990	0.4
111.02654	0.5
114.03757	13.8
116.01690	6.3
117.07005	0.6
119.08605	3.0
119.57200	0.4
121.10119	1.2
123.08024	0.6
127.03915	1.6
129.07007	0.6
131.08566	0.4
133.10150	2.4
135.11687	1.1
136.03952	2.9
137.09673	0.5
137.13277	0.9
142.03221	100.0
143.03560	1.1
143.08572	0.7
144.01141	2.0
145.10114	0.7
147.11667	0.6
149.49875	0.4
155.08585	0.8
157.10103	0.7
161.13277	5.0
162.02199	6.6
170.02718	33.9
179.14301	3.2
183.11719	0.9
193.06058	1.8
197.15257	2.2
199.05365	4.1
211.07118	1.2
227.04860	7.2
229.12401	0.4
245.05920	34.0
255.14163	1.1
273.15234	2.1
320.16821	1.1
338.17926	4.0
356.18671	0.5
366.17352	0.6
415.16507	0.6
423.19638	0.7
441.20554	0.7
459.21594	0.9
459.27371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.96559	1.1
67.05486	2.1
68.98451	0.7
69.03406	2.1
69.07074	1.2
69.75672	2.2
69.76094	2.9
70.06576	2.3
71.04974	1.0
72.08149	9.3
79.05464	2.2
81.03410	2.4
81.07052	2.7
83.04961	1.0
84.04476	1.0
84.08125	1.6
85.02915	4.0
85.06532	1.3
86.09702	5.6
89.06007	1.6
91.05492	5.4
93.07034	3.0
95.04967	1.4
95.08599	2.0
97.02876	2.6
98.21462	1.5
99.04464	0.7
102.05553	1.3
105.07009	2.1
107.04938	4.0
107.08592	2.0
109.02859	1.5
109.06535	2.0
109.10157	1.0
115.05527	0.8
119.08549	3.4
121.10132	2.8
127.03910	1.4
129.10222	0.9
133.10104	0.9
134.99675	0.8
135.07994	1.6
137.09645	1.0
145.10109	0.9
147.11646	1.4
149.13242	0.9
157.10074	1.1
159.11682	1.0
163.07515	3.6
163.11111	0.9
167.07039	4.2
175.08713	1.2
175.11182	0.9
177.12781	0.8
177.32787	0.7
178.96564	0.9
185.16408	1.1
191.51265	0.7
193.12204	1.5
195.10161	3.7
201.12384	1.6
211.13057	6.7
229.11848	1.9
239.12636	1.4
243.32158	0.9
297.14377	2.4
369.08411	0.9
373.18335	9.9
415.19400	35.7
416.19849	1.2
441.17203	0.9
459.18295	100.0
460.18481	2.2
470.92767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.96551	0.9
60.10472	0.5
67.05482	1.6
69.03426	1.9
69.07069	1.4
70.06581	2.1
70.20637	1.3
70.21021	1.7
72.08150	6.8
79.05483	1.9
81.03400	2.1
81.07037	1.9
84.04514	0.7
84.08141	0.7
85.02904	2.8
85.06534	0.9
86.09689	4.1
87.00809	0.9
89.06020	0.9
91.05466	5.2
93.07027	2.1
95.04985	1.4
97.02878	1.8
97.06505	1.2
98.20669	0.7
98.97589	0.8
99.04463	0.8
101.07155	0.8
102.05526	0.7
105.07006	3.1
107.04964	3.5
107.08599	1.1
109.02879	0.7
115.05370	0.5
116.98593	0.6
117.07055	0.9
119.08564	2.4
121.10153	1.8
127.03899	1.5
131.08501	0.6
133.08604	0.7
133.10110	0.7
135.08055	1.4
137.09619	1.4
147.11728	0.9
163.07611	2.9
167.07045	3.0
171.33980	0.5
175.08728	0.9
193.12202	1.2
195.10153	2.4
197.11736	0.8
201.12271	1.2
211.13069	7.0
229.11855	2.2
231.17065	1.6
239.12605	1.5
355.17142	0.9
373.18304	10.6
415.19376	35.0
441.17456	1.2
459.18304	100.0
460.19312	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Swinniol
Peak:m/z	Relative Intensity
52.03540	1.6
53.03932	2.9
55.05512	10.3
56.96546	2.3
57.03431	1.6
57.07066	3.7
59.04994	2.5
64.70845	1.6
65.03943	2.7
67.05172	2.0
67.05508	25.9
69.03442	2.7
69.07071	23.4
79.05487	15.2
81.03392	2.3
81.07057	48.8
83.04983	4.8
83.08636	7.2
91.05466	14.8
93.07048	36.4
95.04952	3.4
95.08608	100.0
97.06511	2.8
97.10155	3.8
99.08058	1.8
100.11196	1.6
105.07030	29.3
107.08594	53.2
109.02895	4.4
109.06510	5.4
109.10155	46.1
111.08080	19.7
117.07014	3.4
119.08578	35.1
121.06489	1.7
121.10141	38.8
123.08096	2.4
123.11704	23.1
125.09637	4.6
128.06152	1.7
129.07019	2.7
131.08556	13.6
133.10139	29.8
135.08055	2.6
135.11691	35.8
137.09615	3.0
137.13301	7.3
139.11186	7.4
143.08553	5.0
145.10120	18.4
147.11687	20.9
149.09671	2.8
149.13258	24.0
151.11160	2.4
153.12781	2.3
155.08551	2.4
157.10109	8.9
158.10950	1.9
159.11742	15.3
161.13275	23.5
163.11174	2.4
163.14813	13.1
165.09149	1.7
165.12733	3.8
169.10191	2.4
171.11708	7.0
173.13281	13.7
175.11208	1.5
175.14825	13.9
177.12737	2.4
177.16341	10.3
183.11665	3.0
185.13217	7.6
187.14857	9.5
189.16396	19.7
191.00060	1.7
191.14307	3.4
191.17990	7.9
193.15863	5.3
195.17422	8.3
197.13255	3.3
199.14821	5.1
201.16400	13.1
203.14272	3.2
203.17950	12.1
205.15918	4.1
205.19649	1.9
207.17468	4.5
211.14786	3.2
213.16374	5.3
215.17957	8.9
217.15880	1.7
217.19537	2.9
219.17445	13.3
221.18953	2.4
225.16403	2.0
227.17943	8.2
229.19493	3.7
229.66035	1.7
231.17532	5.0
231.21030	2.4
233.19055	4.6
243.21091	2.6
245.19035	8.4
249.18457	2.9
255.21007	3.3
257.22681	3.2
261.22256	2.1
263.20111	6.0
267.21063	2.2
269.22772	1.7
271.20499	1.8
273.22208	3.8
283.20782	1.5
285.10214	2.0
285.22058	4.1
287.23657	1.6
291.23224	2.9
294.14114	5.0
296.63376	1.4
303.23273	3.5
311.05365	1.8
317.24799	2.9
367.18146	1.7
369.30988	2.0
385.18875	2.1
393.45078	1.8
409.34750	3.9
411.36371	8.6
417.88397	1.5
421.34665	14.8
427.36301	3.1
439.30780	1.8
439.35834	20.0
457.36734	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Swinniol
Peak:m/z	Relative Intensity
55.05510	9.9
57.07076	2.8
59.17655	2.3
63.80925	2.3
67.05502	27.9
68.07368	2.1
69.03410	2.8
69.07067	22.3
71.04966	2.5
71.59492	3.2
71.59871	2.7
78.45884	2.4
79.05485	15.8
81.07058	48.9
82.85534	2.5
83.04995	4.3
83.08598	6.0
85.06557	3.6
91.05472	20.7
93.07043	42.1
95.04961	8.9
95.08608	100.0
97.06537	6.9
97.10178	4.2
99.08125	3.8
105.07021	33.6
107.08607	62.2
109.02888	3.9
109.06532	4.1
109.10161	55.1
111.08089	20.8
117.07044	6.1
119.08588	46.2
121.10147	44.0
123.08054	3.6
123.11693	22.7
125.09605	6.2
127.03944	3.3
131.08595	14.9
133.10133	36.8
135.11705	30.6
137.13281	5.0
139.11212	8.3
143.08521	5.5
145.10110	22.2
147.11696	23.6
149.13260	32.2
153.01796	3.5
153.12750	2.8
155.08482	3.3
157.10114	10.6
159.11681	23.1
161.13242	32.0
163.14835	17.8
165.09174	4.0
165.12732	4.0
171.11723	6.8
173.13284	17.7
175.14824	19.1
177.12784	5.5
177.16376	10.5
183.11609	2.5
185.13255	4.7
187.11137	2.4
187.14842	13.0
189.16389	18.8
191.14264	3.6
191.17984	7.9
193.12279	3.1
193.15855	6.8
195.17451	5.3
199.14816	7.2
201.16452	13.6
203.14333	2.4
203.17958	13.3
205.15813	5.7
205.19463	3.3
207.17464	9.3
209.19098	2.3
213.16309	4.4
215.17876	13.1
217.19519	5.8
219.17430	7.3
220.45773	2.3
221.15341	4.8
221.18877	2.6
227.17943	9.1
231.17433	7.8
233.19012	8.0
241.19504	3.2
245.18976	5.5
249.01776	2.6
255.67436	2.6
263.19971	4.9
273.22195	3.6
275.19904	3.6
285.22198	4.2
299.23547	4.0
381.31714	4.9
409.34570	4.0
411.35901	3.4
421.13065	5.1
421.34729	18.4
427.35565	3.0
439.35812	32.9
457.24365	3.4
457.36810	22.6
476.35013	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.0
56.96573	2.7
67.05502	30.5
69.07073	19.0
69.83231	2.5
70.08629	4.8
70.09019	6.3
71.46228	2.5
73.75172	2.6
79.05499	17.0
81.07056	44.6
83.04973	2.9
83.08625	9.2
85.06551	4.2
89.59589	2.5
91.05470	16.1
93.07050	42.7
95.04984	3.7
95.08608	100.0
97.10182	4.1
105.07022	27.8
107.08597	57.2
109.06521	5.1
109.10162	44.8
111.08099	23.7
119.08588	40.2
121.10139	35.3
123.11712	14.6
125.09632	4.9
130.02330	2.6
131.08580	11.8
133.10126	31.5
135.11673	30.8
137.09592	3.7
137.13281	8.4
139.11185	7.1
143.08534	4.1
144.09343	3.5
145.10103	20.8
147.11690	17.5
149.13258	21.8
153.12723	3.6
155.08556	2.8
157.10117	8.8
159.11700	21.8
160.11964	2.4
161.13223	17.1
163.14824	14.3
165.12790	3.2
169.10083	3.8
171.11736	6.5
173.13222	18.6
175.14844	14.4
177.16434	7.5
184.48157	2.7
185.13281	6.8
187.14806	9.3
189.16446	7.8
191.17972	6.8
193.15982	4.4
195.17491	3.3
197.13264	2.6
199.14859	6.7
201.16408	11.2
203.17950	10.2
205.15891	5.1
207.17410	6.8
213.16412	5.5
215.18004	7.1
217.15915	4.4
219.17490	11.5
221.18825	3.4
227.17981	8.4
245.18970	3.5
263.20074	9.8
271.20612	2.8
289.21606	3.8
297.90845	2.7
399.32541	3.2
421.34558	9.9
439.36069	16.4
457.25772	16.8
457.37082	25.6
458.25266	3.2
458.36301	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	457.3678
Annotation	Swinniol
Peak:m/z	Relative Intensity
50.98085	2.1
53.03926	2.1
55.01881	2.0
55.05510	11.0
57.07079	4.4
65.03932	2.7
67.05506	25.0
69.07063	16.0
79.05502	19.7
81.07056	50.8
83.08608	6.9
85.06525	2.4
91.05473	17.6
93.07043	41.3
95.04961	3.4
95.08604	100.0
97.06561	4.5
99.08062	2.7
105.06367	4.0
105.07024	42.7
105.47437	1.8
106.07286	2.0
107.08590	59.3
109.06496	4.8
109.10156	44.6
110.10498	2.2
111.08080	40.9
111.11733	2.9
117.07006	5.5
119.08574	45.9
121.06501	2.1
121.10152	42.4
122.10490	2.0
123.08064	7.4
123.11707	20.0
125.09628	4.8
129.07001	2.5
131.08554	17.9
133.10132	38.6
135.08061	5.1
135.11685	34.9
137.09639	4.3
137.13268	5.7
139.11157	3.9
143.08562	6.2
145.10114	25.2
145.77991	2.0
146.70744	1.9
147.11696	26.9
149.09630	3.9
149.13261	26.4
151.11177	3.3
153.12775	2.8
156.09377	5.5
157.10138	7.7
159.11700	28.1
161.13225	23.6
163.14821	22.3
165.12762	2.1
169.10120	3.5
171.11665	16.3
173.13237	12.9
175.14838	17.5
177.12697	3.6
177.16330	15.6
185.13297	3.8
187.14845	11.6
189.12723	5.7
189.16351	14.5
191.18018	9.9
195.17371	3.5
199.14862	3.4
201.16435	15.4
203.14316	3.8
203.17940	13.9
205.15912	4.2
207.17532	4.4
213.16389	7.8
215.17952	7.3
217.15945	4.4
217.19476	4.8
219.17436	15.9
221.19058	4.3
223.17010	2.6
225.16370	2.4
227.17976	6.1
229.15976	2.1
229.19527	2.3
231.17511	4.3
233.18936	6.9
245.19043	5.0
250.89903	2.2
255.21088	3.0
263.20111	7.9
273.22122	4.7
285.22037	2.7
381.31439	3.2
395.39264	2.2
403.33731	3.6
409.34418	11.0
421.34760	16.1
427.35648	9.2
439.35715	29.0
457.37338	24.2
464.87119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Swinniol
Peak:m/z	Relative Intensity
55.05509	17.2
67.05508	30.3
69.07068	19.2
70.94726	10.8
79.05487	23.1
81.07058	64.6
83.08617	9.7
91.05470	21.2
91.10382	3.9
91.16391	4.9
93.07042	64.6
95.08604	100.0
97.06519	21.9
105.07022	59.1
107.08604	73.5
107.72768	4.2
109.06557	5.9
109.10157	56.1
111.08077	26.3
117.07075	5.7
119.08578	66.9
121.10136	49.6
121.10911	4.9
123.11697	17.2
125.09654	4.7
131.08534	21.4
133.10139	55.4
135.08006	6.2
135.11691	34.0
137.09621	5.7
143.08615	6.4
145.10107	47.5
147.11696	40.1
149.13274	59.7
151.11324	4.4
153.12776	4.9
155.08537	5.2
157.10139	16.8
159.11703	42.5
161.13261	37.4
163.14832	16.4
165.12779	5.3
171.11690	15.2
173.13274	25.1
175.14854	33.0
177.16397	19.5
179.14325	4.6
183.11659	4.4
185.13257	15.0
187.14832	23.3
189.16360	33.4
191.14287	4.8
191.17995	11.5
193.15926	10.2
195.17305	4.8
197.13231	6.7
199.14815	14.8
201.16455	19.8
203.17964	22.5
205.15846	26.7
207.17378	29.3
213.16435	8.8
215.17909	13.9
217.19453	8.0
219.17424	14.7
221.18938	9.0
227.17899	13.4
229.19424	5.5
231.17374	8.4
233.19043	15.5
241.19571	7.8
245.19080	18.4
257.18887	4.1
285.22028	7.1
351.69156	4.1
381.31592	11.3
409.34683	14.9
421.34811	28.1
427.35910	4.9
439.35803	38.0
457.25912	6.9
457.36755	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	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.02365	2.6
55.05514	12.4
56.96550	3.3
57.07064	4.0
63.90974	2.1
65.03942	2.3
67.05503	34.6
69.07063	18.0
69.57068	4.0
69.57480	12.3
79.05489	19.3
81.07053	66.3
83.04983	2.3
83.08615	9.6
91.05476	19.0
93.07042	49.9
95.04949	5.5
95.08603	100.0
96.08910	2.7
97.06536	13.2
97.10160	6.0
99.04449	2.2
105.07027	43.4
107.08592	59.6
109.06513	2.4
109.10152	79.8
111.08079	26.3
117.06984	5.9
119.08579	55.3
121.10135	49.6
123.08047	4.3
123.11707	18.1
125.09626	4.1
129.06992	3.8
131.08546	15.8
133.10126	43.4
135.08025	3.4
135.11678	35.9
137.09630	3.0
137.13255	6.9
139.11214	3.3
143.08551	8.4
145.10124	28.8
147.04451	3.8
147.11696	28.7
149.13263	26.7
151.11198	3.8
153.01819	7.2
157.10123	8.8
159.11679	28.5
161.13258	44.8
162.13577	2.3
163.11200	2.1
163.14830	25.6
165.12779	5.6
169.10155	3.2
171.11671	8.0
173.13269	23.2
175.14825	26.0
177.12715	2.7
177.16408	16.8
185.13258	9.0
187.14807	13.9
189.16376	18.8
191.14246	2.5
191.17909	9.1
193.12204	6.1
193.15871	5.3
195.17422	5.0
197.13289	4.2
199.14772	8.3
201.16374	12.0
203.14314	4.4
203.17973	16.5
205.15871	8.6
205.19470	3.5
207.17487	6.6
213.16386	6.2
215.17969	7.0
217.15846	4.7
217.19490	7.5
219.17415	13.4
221.15341	14.1
221.18974	4.8
223.16862	3.1
227.17970	5.0
229.19530	3.7
231.17458	5.8
231.20998	2.4
233.18993	8.6
235.16899	3.6
240.70383	2.0
245.19014	5.0
247.17029	2.6
247.20705	2.4
255.21339	2.3
257.18921	2.3
261.22318	2.6
263.20056	5.3
285.25778	2.7
296.25220	2.0
297.03934	5.6
298.04645	8.3
299.05353	5.0
311.05469	46.4
312.05731	3.1
337.06860	2.6
381.13321	43.1
381.31229	2.9
382.13806	5.4
397.24539	9.1
399.32458	4.6
409.34470	4.4
421.34546	15.1
425.15869	10.9
427.35510	8.7
439.35770	45.6
457.18372	6.4
457.26807	2.5
457.36853	25.0
458.25827	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
54.10191	0.7
54.99212	0.6
55.05508	3.8
57.07063	2.3
67.05508	5.8
69.07064	5.8
69.30112	1.2
69.30453	8.2
70.18034	0.6
79.05492	3.3
81.06586	0.8
81.07054	11.2
83.04977	3.0
83.08608	2.2
91.05478	3.1
93.04669	0.6
93.07042	8.0
95.04950	1.7
95.08611	18.1
97.06551	1.2
97.10143	1.3
105.07035	7.0
107.08596	12.9
109.06541	1.3
109.10159	8.6
111.08075	1.0
111.11714	1.2
119.08578	9.9
120.96677	1.8
121.06517	1.3
121.10149	9.1
123.08089	1.4
123.11678	4.2
125.09626	2.2
131.08560	2.3
133.06491	0.8
133.10129	7.4
135.08049	1.4
135.11702	8.9
137.09663	1.0
139.07578	0.9
143.08549	1.7
145.10132	3.7
147.08031	1.6
147.11661	5.2
149.02327	1.5
149.09630	3.9
149.13274	2.2
151.11000	0.9
157.10120	1.5
159.11702	3.1
161.09596	2.5
161.13242	3.5
162.03133	2.0
163.14760	1.7
169.10078	0.8
171.11618	1.8
173.13275	2.5
174.98575	1.0
175.11189	2.5
175.14796	4.4
177.16454	3.4
179.94296	0.7
185.13332	1.3
187.14824	2.3
189.12715	1.2
189.16408	4.7
191.17885	1.4
193.04971	1.3
201.16360	1.6
203.14279	1.4
203.17911	4.3
213.16246	0.9
215.18011	1.0
217.15924	1.7
219.17448	0.8
221.18884	1.9
231.17493	0.9
235.16902	2.0
243.85831	0.7
245.18906	0.8
256.26367	0.8
275.62720	0.7
285.22028	1.5
292.69183	0.7
337.27451	2.9
421.34811	1.5
426.79715	0.8
439.35767	4.0
457.23218	2.1
457.31464	4.5
457.36795	100.0
457.81421	2.4
458.37137	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
53.37562	3.6
55.05504	16.0
56.96569	8.3
57.07068	5.1
62.92431	3.3
65.03933	4.8
66.25684	3.1
67.05500	33.2
69.03383	4.2
69.07048	19.8
70.06643	3.6
70.73281	12.9
74.80222	2.9
76.94524	3.5
79.05491	24.8
81.03426	10.7
81.07057	72.7
83.04992	4.1
83.08608	9.9
84.04452	3.9
85.02909	3.7
91.05475	24.5
93.07047	46.4
93.49328	3.1
95.04961	7.5
95.08607	100.0
96.86790	3.1
97.06529	32.3
97.10166	5.4
99.04418	4.3
103.05490	3.7
105.07030	56.3
107.04956	10.0
107.08591	59.5
109.02880	11.6
109.06538	9.5
109.10145	41.3
111.08047	23.3
116.98653	3.4
117.07004	5.5
119.08580	55.5
120.69741	3.5
121.06502	4.3
121.10143	40.4
123.08080	5.9
123.11716	15.5
125.09630	4.6
127.03899	4.7
129.06978	5.0
131.08568	19.4
133.10129	44.5
135.11688	35.1
139.11169	7.7
142.03220	3.6
143.08533	9.9
144.09285	3.7
145.10107	33.4
147.04376	4.8
147.11674	28.9
149.09584	4.1
149.13260	63.2
151.11195	6.7
157.10173	10.5
159.11685	25.5
161.13240	30.1
162.13664	3.7
163.14842	11.2
165.09166	3.9
165.12791	5.6
169.10193	5.3
171.11696	11.1
173.13295	24.5
175.11140	4.3
175.14780	18.0
177.16374	11.5
183.11783	5.8
185.13243	6.5
187.14836	11.4
189.16377	25.7
191.14256	7.2
191.18008	5.0
193.15924	9.0
197.13208	5.3
199.14833	15.8
201.16411	12.4
203.17912	12.1
207.17421	23.1
211.14726	3.7
213.16444	6.9
215.17934	12.1
217.15855	5.7
217.19548	5.9
219.17464	8.0
227.06467	3.9
229.19313	5.1
231.17548	7.6
233.18967	9.4
245.19073	16.7
253.11105	9.6
271.12067	6.3
273.22168	7.1
277.21646	8.2
285.22223	7.2
343.20624	3.9
381.31497	9.5
381.84479	3.4
385.19818	3.7
398.79984	3.8
409.34616	4.1
420.82324	4.0
421.34705	19.2
427.35501	4.4
439.35776	32.9
457.16318	16.8
457.36911	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	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.81984	1.7
55.05509	7.5
55.45022	1.9
67.05508	12.6
69.07064	8.9
69.92146	12.2
69.92493	2.6
79.05506	6.4
81.07056	28.2
83.08617	4.7
85.06524	2.1
91.05487	5.8
93.07054	22.3
95.08617	58.7
97.10142	2.3
98.20811	2.7
105.07021	16.6
107.08598	47.7
109.10165	34.5
111.08088	4.0
119.08595	22.0
121.10150	30.1
121.44782	1.8
123.11695	10.0
131.08551	3.3
133.10149	17.6
135.11702	23.0
137.13275	3.3
145.10138	5.1
147.11685	13.4
149.09706	2.3
149.13281	15.1
152.91347	1.9
159.11708	4.7
161.13271	11.0
163.14828	38.6
163.16106	3.6
173.13283	4.6
175.14830	11.7
177.16405	11.4
179.14371	3.8
187.14832	7.7
189.16351	15.8
191.17938	16.0
201.16367	2.6
203.17976	31.2
205.19504	7.6
207.17401	4.2
213.16261	2.3
215.17899	4.5
217.19522	4.7
221.18997	6.5
229.19556	2.3
231.21042	10.1
233.19011	2.8
233.77791	1.8
235.16826	2.5
249.18596	2.8
265.65445	2.1
297.25775	10.7
315.26682	4.6
393.35089	10.1
411.36218	100.0
412.36472	5.9
439.35538	5.6
457.36136	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	457.3677
Annotation	Swinniol
Peak:m/z	Relative Intensity
50.86311	1.2
53.03934	3.8
55.01876	1.3
55.05506	11.6
57.07067	3.2
65.03927	1.8
67.05501	26.4
69.03416	2.4
69.07071	17.6
69.62876	9.8
70.06587	2.4
71.04972	1.6
72.08143	1.8
77.03965	1.2
79.05490	19.2
81.03435	2.6
81.07054	60.8
82.07417	1.8
83.04978	2.1
83.08598	8.1
84.04500	2.2
85.06518	1.4
86.09709	3.8
91.05468	22.9
93.07037	47.3
95.04967	4.5
95.08603	100.0
97.06525	32.7
97.10174	4.1
99.08113	1.4
103.05479	1.5
104.92812	1.2
105.07027	55.9
107.04964	3.6
107.08592	66.9
109.02889	1.7
109.05857	1.5
109.06522	7.2
109.10152	50.7
111.08083	22.9
111.11707	2.4
115.05405	2.0
117.07002	7.4
119.08579	57.8
120.08922	1.4
120.91357	1.3
121.06530	1.6
121.10142	43.5
122.10471	1.4
123.08041	2.1
123.11704	18.9
125.09624	2.5
128.06190	3.3
129.06984	4.5
131.08556	20.4
133.10127	41.2
135.08069	2.4
135.11685	32.7
137.06004	2.5
137.09637	2.7
137.13274	4.0
139.11191	6.0
141.07027	3.3
142.07750	4.7
143.08563	11.0
144.09193	1.5
145.10114	41.0
147.07924	2.0
147.10521	1.8
147.11684	37.5
149.09601	2.8
149.13255	68.2
151.11197	5.1
153.06903	1.5
153.12798	1.7
155.08585	5.4
156.09364	1.7
157.10135	18.8
158.10632	2.8
159.11697	35.1
161.13261	26.6
163.11142	2.0
163.14827	16.3
165.12799	4.3
167.10719	1.8
169.10132	4.8
170.10921	1.9
171.11690	11.0
173.13298	17.5
175.11194	3.2
175.14816	21.6
177.16417	11.9
179.14345	2.9
181.04947	1.6
181.10147	1.9
183.11667	7.3
185.13264	11.8
187.14778	11.6
189.16374	33.3
191.14333	4.3
191.17972	7.2
193.15828	8.5
195.17494	5.5
197.13297	3.8
199.14798	11.3
201.12770	2.0
201.16380	17.1
203.14386	2.8
203.17970	13.4
205.15900	6.0
207.17455	29.1
209.13206	2.0
211.14842	3.8
213.16403	12.0
215.17941	13.4
217.15895	6.0
217.19576	6.8
219.17511	10.4
221.15514	1.6
221.18988	3.7
225.16447	3.4
227.17955	7.7
229.15877	1.9
229.19576	3.7
231.17427	8.1
233.18994	8.5
239.18059	1.5
241.19543	4.0
243.17448	4.5
245.18965	16.8
247.16878	1.7
247.20518	1.8
249.18546	3.3
253.19432	1.8
255.21063	2.8
257.19028	1.9
259.20700	3.4
261.22028	1.4
263.19995	2.8
267.21115	2.0
269.22641	1.8
271.20590	4.3
273.21979	7.5
279.10648	1.6
280.10898	2.2
281.10361	4.1
281.22522	2.0
285.22156	5.4
289.21661	2.0
295.24103	1.9
299.23743	4.1
313.25330	2.5
317.24918	1.7
381.31503	13.4
382.31747	2.2
403.33365	3.1
409.34702	11.0
421.34631	22.4
427.35834	3.8
439.35709	41.0
442.05566	1.6
457.15793	2.9
457.37027	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	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.28631	7.2
55.05513	11.3
55.85069	6.2
60.04503	6.5
67.05492	22.6
69.07066	20.8
70.80566	14.6
70.80905	6.4
76.14014	6.7
79.05482	9.8
81.07053	52.5
83.04977	7.4
83.08640	14.9
91.05488	11.7
93.07040	43.2
95.04960	7.3
95.08593	84.7
95.88817	6.1
97.10150	7.1
105.07034	28.7
107.08589	76.2
109.10156	47.0
117.58333	6.2
119.08588	42.5
121.10146	56.7
123.08083	6.3
123.11692	19.6
131.08502	8.5
133.10133	32.5
135.11687	22.4
147.11664	27.3
149.13258	33.0
156.10234	6.3
159.11623	10.4
161.13272	24.3
163.14825	51.6
173.13232	6.4
175.14813	20.5
177.16367	42.8
187.14784	19.8
189.16405	48.7
191.17905	37.3
199.14990	6.4
201.16336	17.1
203.17955	53.5
207.17531	13.1
217.19420	16.8
219.17549	6.6
221.18954	13.4
231.21074	14.5
233.19122	7.3
302.38428	6.9
329.34689	7.7
393.34952	17.7
411.36215	100.0
439.36029	35.6
457.36841	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	457.3675
Annotation	Swinniol
Peak:m/z	Relative Intensity
50.21778	3.0
55.05503	9.8
57.07065	3.5
60.09324	3.0
67.05495	23.7
69.07062	20.9
69.57478	27.4
74.69810	3.1
79.05492	16.0
81.07056	36.9
83.08601	6.2
91.05474	17.2
93.07049	38.7
95.08604	100.0
97.06560	4.3
97.10153	4.6
105.07023	24.9
107.08585	59.8
109.10158	46.2
111.08074	20.1
113.09692	4.9
117.07045	4.1
119.08571	32.0
119.09372	4.4
121.10134	42.0
123.11707	20.1
125.09559	4.5
131.08568	7.2
133.10133	33.8
135.11700	39.5
137.09567	3.2
137.13286	4.3
139.11200	9.7
139.66415	3.4
143.08572	3.6
145.10114	18.5
147.11720	22.6
149.13251	24.5
151.11252	5.5
157.10069	4.9
159.11681	16.7
161.13293	16.9
163.14845	9.4
165.12766	5.2
171.11652	6.4
173.13220	17.6
175.14838	15.2
177.16411	11.0
187.14886	8.0
189.16417	12.5
195.17461	9.4
199.14806	4.1
201.16425	14.5
203.18002	12.5
205.15860	7.6
207.17384	6.3
211.14970	3.4
213.16403	3.5
215.17946	7.4
219.17456	11.5
225.16035	3.6
227.17992	5.1
231.17450	4.4
233.18977	4.9
234.30736	3.5
245.19101	6.0
255.75494	3.7
261.22174	4.8
263.20068	5.7
267.21143	5.2
271.20462	4.0
273.22061	7.6
331.45718	3.8
403.33707	3.8
421.34607	16.7
439.35843	18.0
457.36984	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.87491	3.5
55.05494	12.5
57.07063	4.9
58.71536	3.8
62.02431	3.6
67.05499	20.4
69.07059	17.9
70.03763	21.6
79.05487	11.4
81.07058	41.0
83.08607	8.7
91.05468	12.4
93.07053	41.9
95.08041	7.0
95.08607	81.8
97.06512	4.8
97.10185	5.8
98.21445	5.0
105.07026	29.8
107.08600	65.2
108.33669	3.6
109.10149	56.0
119.08570	67.8
121.10144	55.4
123.11730	23.3
131.08551	7.7
133.10143	45.5
134.04500	3.4
135.11691	48.7
137.13290	5.9
139.23293	3.5
145.10115	8.2
147.11668	39.2
149.13260	29.5
153.09076	12.3
159.11681	12.1
161.13228	26.2
163.14835	34.1
173.13210	6.6
175.14836	18.8
177.16350	11.8
185.20346	4.1
187.14824	13.0
189.16376	100.0
191.17944	82.4
201.16385	15.3
203.17969	96.8
205.15897	4.0
205.19545	16.6
207.17497	9.5
215.17970	10.3
217.19533	20.3
219.20932	3.9
221.18953	6.2
229.19543	5.2
231.21092	16.9
235.16922	22.2
247.16890	5.8
249.18484	33.2
257.22641	5.4
393.35394	8.6
411.36182	59.1
439.35812	35.5
457.36801	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10191	0.7
54.99212	0.6
55.05508	3.8
57.07063	2.3
67.05508	5.8
69.07064	5.8
69.30112	1.2
69.30453	8.2
70.18034	0.6
79.05492	3.3
81.06586	0.8
81.07054	11.2
83.04977	3.0
83.08608	2.2
91.05478	3.1
93.04669	0.6
93.07042	8.0
95.04950	1.7
95.08611	18.1
97.06551	1.2
97.10143	1.3
105.07035	7.0
107.08596	12.9
109.06541	1.3
109.10159	8.6
111.08075	1.0
111.11714	1.2
119.08578	9.9
120.96677	1.8
121.06517	1.3
121.10149	9.1
123.08089	1.4
123.11678	4.2
125.09626	2.2
131.08560	2.3
133.06491	0.8
133.10129	7.4
135.08049	1.4
135.11702	8.9
137.09663	1.0
139.07578	0.9
143.08549	1.7
145.10132	3.7
147.08031	1.6
147.11661	5.2
149.02327	1.5
149.09630	3.9
149.13274	2.2
151.11000	0.9
157.10120	1.5
159.11702	3.1
161.09596	2.5
161.13242	3.5
162.03133	2.0
163.14760	1.7
169.10078	0.8
171.11618	1.8
173.13275	2.5
174.98575	1.0
175.11189	2.5
175.14796	4.4
177.16454	3.4
179.94296	0.7
185.13332	1.3
187.14824	2.3
189.12715	1.2
189.16408	4.7
191.17885	1.4
193.04971	1.3
201.16360	1.6
203.14279	1.4
203.17911	4.3
213.16246	0.9
215.18011	1.0
217.15924	1.7
219.17448	0.8
221.18884	1.9
231.17493	0.9
235.16902	2.0
243.85831	0.7
245.18906	0.8
256.26367	0.8
275.62720	0.7
285.22028	1.5
292.69183	0.7
337.27451	2.9
421.34811	1.5
426.79715	0.8
439.35767	4.0
457.23218	2.1
457.31464	4.5
457.36795	100.0
457.81421	2.4
458.37137	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	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.20358	0.4
56.96565	0.8
67.05502	0.4
69.03426	1.5
69.07068	0.5
70.06586	1.0
71.04969	0.4
71.59901	0.6
72.08155	0.6
79.05469	0.8
81.03386	0.4
81.07037	1.0
85.02913	0.8
86.09721	0.9
87.04478	0.5
91.05461	0.6
93.07051	1.2
95.04980	0.5
95.08611	0.7
97.02895	0.7
97.06518	0.4
98.97566	2.2
99.04457	0.5
105.07016	1.1
107.08597	1.2
109.10164	1.2
116.98628	1.4
119.08611	0.6
120.08101	0.9
121.10143	0.4
123.08113	0.4
127.03941	0.5
133.10138	1.2
134.99628	0.6
135.08072	0.7
135.11668	0.7
137.09615	0.9
161.01239	0.5
175.14804	0.5
177.00702	0.9
185.03954	0.4
189.00769	0.6
191.14349	0.8
193.15854	0.8
203.05293	3.6
209.15480	0.5
212.17613	0.4
219.01761	0.5
237.02766	0.5
240.74573	0.3
249.02817	0.8
259.17081	0.4
269.10666	0.4
272.10898	5.7
272.13602	0.5
272.61133	0.6
277.17734	5.1
285.13846	0.5
295.18817	1.5
309.13693	0.7
311.11856	0.5
331.16837	0.5
369.18842	1.3
371.16934	1.0
411.17355	0.5
439.23212	1.7
457.24124	100.0
458.24414	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18500	2.1
53.03945	5.4
55.05501	9.4
56.89243	2.3
56.96572	3.5
57.07058	2.6
65.03967	2.7
67.05508	21.3
69.03426	6.6
69.07066	14.9
69.90295	10.6
70.06580	3.1
71.04990	7.0
79.05496	15.5
81.03419	8.1
81.07056	36.5
83.04955	3.9
83.08614	6.3
85.02906	11.3
87.00819	4.5
91.05492	13.9
93.07045	40.2
95.04975	12.5
95.08609	51.9
97.02875	5.8
97.06519	10.2
97.10168	3.4
98.97612	2.4
99.04431	3.6
99.08091	2.8
105.01857	3.1
105.07033	41.4
107.04980	3.4
107.08595	42.8
109.02879	17.9
109.06527	17.3
109.09468	3.0
109.10162	45.5
111.08072	11.6
114.05860	2.3
116.06278	2.3
116.98595	2.6
117.06983	4.3
119.08584	40.4
121.10136	33.0
123.08074	5.4
123.11698	15.2
125.09606	3.2
127.03894	8.8
131.08583	19.1
133.06436	3.2
133.10124	31.3
134.10454	2.3
135.08076	6.8
135.11693	16.4
137.05940	3.9
137.13338	2.5
139.11180	4.6
143.08572	5.3
145.10136	20.0
147.04436	4.1
147.11708	25.4
149.09601	9.9
149.13246	25.1
151.11200	24.7
157.10170	8.1
158.10899	3.3
159.11687	20.4
161.13260	36.7
163.11205	3.0
163.14812	15.6
169.10065	3.1
171.11702	4.3
173.13252	23.9
175.14864	11.3
177.16376	4.9
179.14331	14.2
183.11848	2.5
187.14844	7.9
189.16331	8.0
191.14310	57.1
191.17961	5.5
199.14806	3.3
201.16428	5.3
203.14357	2.6
203.17982	5.9
205.15945	4.6
207.17319	4.0
209.15366	100.0
211.14986	2.4
213.16255	3.0
215.18027	5.3
217.19496	3.7
219.17490	5.0
221.15421	3.3
231.17418	3.6
233.19032	5.5
253.11250	3.7
259.12137	6.8
271.12189	10.2
277.21558	3.7
291.10138	2.6
301.08533	5.1
303.79483	3.1
333.11185	3.5
381.31116	2.7
409.34280	2.5
421.34598	6.2
427.35822	2.9
439.35800	27.1
457.16147	3.4
457.36627	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01858	1.9
55.05502	3.3
57.03408	2.1
57.07054	2.3
61.02918	2.7
67.05515	3.0
69.03432	9.4
69.07056	4.8
69.64718	4.7
69.65139	3.7
70.06590	2.3
73.02896	1.8
79.05497	21.7
81.03420	7.0
81.07054	56.0
83.04980	4.1
83.08607	2.9
84.08134	3.1
85.02903	12.1
86.09687	2.3
87.00813	4.8
91.05461	4.6
93.07040	9.0
95.04956	4.9
95.08599	4.5
97.02898	6.4
97.06519	5.7
99.04442	3.7
102.18317	1.2
105.01849	2.7
105.07026	5.7
107.04935	1.6
107.08595	6.8
108.59239	1.2
109.02883	7.1
109.06511	100.0
109.10152	5.2
111.08053	3.6
117.07052	1.5
119.08574	3.7
121.06458	1.9
121.10136	7.4
123.08031	3.5
123.11726	4.3
127.03929	11.4
131.08574	3.9
133.10115	11.1
135.08040	6.0
138.05736	1.3
145.10118	2.7
147.11665	2.3
149.13271	6.2
151.11177	1.9
153.09087	5.4
159.02849	1.9
159.54323	1.5
163.07779	1.3
163.11119	1.6
163.14793	1.4
165.09129	1.2
167.14278	5.5
173.13239	8.8
189.05878	1.4
191.07155	1.5
191.14290	26.3
203.05275	1.2
209.08031	1.5
209.15329	13.1
231.05014	2.0
326.25006	1.4
399.14029	1.7
442.17957	1.6
457.16574	3.4
457.24380	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
56.96550	3.4
57.03424	1.7
67.05505	4.2
69.03436	7.4
69.07056	4.2
70.70321	5.9
73.14504	1.6
79.05495	5.2
81.03440	2.7
81.07046	9.1
83.04974	2.5
83.08649	2.4
83.83383	1.5
85.02909	3.7
86.09719	1.7
91.05480	5.9
93.07027	5.6
95.08604	2.9
97.02897	2.9
100.11225	1.8
102.77242	1.6
105.07016	8.5
107.04972	4.4
107.08582	17.7
109.02963	2.5
109.06546	3.5
109.10158	9.1
116.98580	1.9
119.08555	5.3
121.06544	2.0
121.10141	16.0
122.07290	5.3
123.08028	2.1
127.03950	3.9
131.00099	2.3
131.08592	3.5
133.10129	100.0
135.07111	2.0
135.08005	11.0
137.09621	58.8
149.09575	1.7
149.13252	9.9
151.11154	2.0
158.10928	2.2
165.03877	1.9
173.13266	5.9
175.13847	2.0
182.15453	3.4
191.14305	52.5
196.67769	1.8
209.15419	4.0
253.11113	7.9
271.12238	7.2
278.42767	2.1
321.35876	1.9
389.14838	2.1
457.17410	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
53.82244	1.1
55.01856	4.5
55.05483	1.1
57.03422	4.1
57.43168	1.0
61.02913	1.8
67.05517	2.3
68.99796	0.9
69.03429	13.2
69.07053	2.7
69.63957	7.2
70.06590	9.7
71.04977	4.4
72.08142	3.4
73.02909	2.6
79.05494	3.9
81.03413	13.1
81.07049	3.2
83.04972	2.1
84.04464	0.9
85.02415	1.8
85.02907	27.1
85.06529	3.9
86.09702	4.1
87.00822	9.4
87.04436	1.4
91.03931	1.2
91.05483	10.1
93.07034	8.2
94.14112	1.0
95.04959	2.7
95.08602	4.3
95.75196	0.9
97.02889	9.6
97.06533	3.4
98.97579	1.2
99.04459	7.4
99.08106	1.0
105.01873	5.9
105.07021	20.4
107.08582	11.7
109.02880	9.8
109.06522	10.8
109.10157	4.0
110.33041	1.0
115.05405	1.4
116.06280	1.3
116.98536	1.1
117.01836	1.5
117.07014	2.7
119.08558	7.4
121.06502	1.3
121.10136	4.7
123.08053	3.5
125.05903	0.9
127.03917	16.3
129.06961	1.7
129.10300	1.1
131.08566	23.7
133.10126	100.0
135.08040	9.5
135.11652	1.2
137.05946	1.4
137.09581	1.3
143.08563	3.8
145.04942	6.7
145.10136	7.6
147.02913	1.6
147.11646	6.1
149.02316	1.0
149.09615	9.1
149.13255	4.7
153.09145	1.0
158.10910	5.9
159.02893	6.5
163.04079	1.1
163.14865	1.5
171.11668	1.2
173.13257	45.5
175.11183	1.2
177.00722	1.1
183.01186	1.1
191.14297	47.8
194.02155	1.9
209.04459	14.3
209.15323	5.8
223.62727	1.1
229.15477	2.0
231.05013	2.4
233.36865	1.1
242.18706	1.1
287.03546	1.4
295.11829	2.1
295.14954	2.0
306.59161	1.0
355.13806	1.6
399.12723	2.7
413.17752	2.7
457.16315	7.3
457.21722	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01865	3.2
55.05507	2.6
57.03437	2.2
57.07074	2.2
61.02905	2.0
65.03937	1.2
67.05498	7.8
69.03429	12.3
69.07053	4.5
70.74033	4.4
71.04991	6.3
73.02921	1.8
79.05498	6.5
81.03432	9.2
81.07042	7.6
85.02912	22.4
85.06549	3.6
87.00829	9.0
91.05479	9.0
93.07037	7.9
95.04965	5.2
95.08589	5.6
97.02885	7.7
97.06519	4.7
99.04453	4.0
105.01869	7.9
105.07031	21.6
107.04967	2.4
107.08607	13.5
109.02882	9.1
109.06516	91.1
109.10161	21.8
111.08105	3.5
117.07020	4.1
119.08594	7.5
121.06538	2.2
121.10122	9.4
123.08051	14.7
127.03908	13.8
129.06993	1.5
131.08575	24.4
133.06491	2.3
133.10127	71.8
135.08051	41.1
135.11665	1.2
136.08330	1.6
137.09595	1.6
139.51981	1.2
143.08569	2.7
144.09294	1.3
145.04950	5.3
145.10110	6.6
146.06790	1.5
147.08051	2.1
147.11719	6.9
149.09531	6.3
149.13231	4.0
153.09125	5.6
156.09302	1.5
157.10123	1.5
158.10956	8.2
159.02913	5.6
159.11688	1.5
161.09621	1.8
163.11209	1.4
165.09122	4.0
171.11650	1.4
173.13263	43.7
175.11160	17.3
176.11505	16.9
191.14307	100.0
194.12608	1.7
209.15356	33.7
210.17628	1.2
231.04912	2.8
328.19217	1.5
442.17978	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64640	1.2
53.03948	10.4
54.40777	1.2
55.01867	7.2
55.05501	3.2
57.03442	7.1
57.25086	0.9
61.02919	5.6
61.59733	1.5
67.05490	3.3
68.99786	3.1
69.03427	40.6
69.07069	11.2
71.04581	1.1
71.04987	5.9
73.02920	8.9
73.40958	1.2
79.05489	3.9
81.03418	40.8
81.07064	5.9
83.01344	2.0
83.04970	1.3
83.08607	2.9
85.02903	67.7
87.00822	22.5
91.03961	3.3
91.05460	4.2
93.07040	6.4
93.66269	1.4
95.04960	8.5
95.08605	8.5
96.59880	1.2
97.02892	25.1
97.06504	3.6
98.21472	2.0
99.04444	16.4
103.03922	1.4
105.01267	1.7
105.01865	18.5
105.07023	7.1
107.04897	1.7
107.08599	6.9
109.02877	45.0
109.06507	6.6
109.10148	3.8
114.25631	1.2
115.03898	1.5
117.01869	5.7
117.07072	1.3
119.08574	7.1
121.06539	6.0
121.10138	4.3
122.07269	4.2
123.08081	22.2
123.11655	2.5
127.03918	75.8
129.01845	4.7
129.06926	1.9
131.08534	2.8
133.10101	7.3
135.08049	37.3
135.11674	4.5
145.04950	33.0
145.10071	3.0
147.02898	3.3
147.11665	4.3
148.08771	1.8
149.09602	3.6
159.02893	30.6
161.13197	1.3
163.14804	2.3
165.09042	1.5
165.12747	24.6
173.13269	1.9
175.14900	2.2
176.11946	3.4
177.04012	2.2
177.12810	1.9
189.04024	2.0
191.14297	100.0
192.14806	1.3
193.15863	6.8
203.18024	1.5
207.13835	7.1
209.15353	16.3
213.03902	4.1
231.05025	17.5
249.06079	1.9
251.16454	1.3
292.12473	2.9
377.15811	2.7
395.16885	2.3
413.18124	5.0
444.20770	1.3
457.20670	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05511	2.6
56.96571	1.7
57.03436	2.6
58.17417	1.7
61.02933	1.8
67.05508	5.7
69.03430	18.6
69.55389	10.1
69.55801	3.2
71.04995	2.5
73.02943	2.0
74.78526	1.7
79.05494	6.4
81.03423	14.0
81.07056	8.9
81.66258	1.7
83.04999	2.8
83.08604	2.2
84.08136	1.9
85.02906	15.1
86.09704	5.0
87.00835	6.8
91.05492	6.0
93.07047	6.1
94.24940	1.8
95.04984	3.7
95.08624	5.4
97.02889	7.8
98.21535	3.6
99.04456	3.5
105.01870	5.3
105.07026	10.4
107.04964	4.0
107.08599	21.1
107.44055	1.8
109.02902	7.8
109.06534	10.1
109.10148	9.6
116.98617	2.4
117.07048	2.7
119.08594	4.8
121.01679	1.6
121.06531	4.2
121.10152	17.5
122.07322	6.2
123.08090	4.7
127.03925	12.3
131.08554	4.0
133.10138	96.1
134.10550	1.8
135.08052	9.0
135.11734	2.0
137.09628	59.8
145.04961	4.3
145.10104	2.5
147.11713	3.7
149.09639	8.4
149.13266	14.8
151.11185	36.8
151.12329	2.4
155.74776	1.8
155.76740	1.8
159.02896	3.1
163.14798	3.6
165.12773	31.0
173.13277	8.1
191.14314	49.5
192.50891	1.8
192.86180	1.7
193.15933	5.8
196.60017	1.8
209.15379	100.0
231.04987	2.1
292.97168	1.9
330.81561	1.7
353.38458	1.8
413.17758	3.1
444.57288	1.8
457.16342	8.3
457.24118	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56178	4.0
67.05493	6.8
69.03410	14.6
69.07062	7.5
70.93961	8.4
70.94335	9.2
71.04979	5.5
78.32707	4.2
79.05486	5.5
81.03396	10.7
81.07034	5.7
83.04973	11.4
83.08621	3.9
85.02882	15.8
87.00809	11.7
91.05490	9.5
93.07069	8.5
95.04939	4.9
95.08616	16.6
97.02876	5.4
97.06488	4.7
99.04383	4.0
105.07040	7.6
107.08587	28.3
109.02877	7.8
109.06512	64.4
109.10144	19.2
121.06465	5.1
121.10115	26.7
123.08063	13.1
125.09615	8.4
127.03903	6.6
131.08582	11.3
133.10124	12.0
135.08029	36.2
135.11714	5.8
137.09619	8.9
147.11693	6.3
149.09680	8.6
149.13240	12.5
151.11177	62.8
163.14813	9.1
166.62482	4.1
173.13264	17.0
191.14301	100.0
209.15378	73.1
283.95749	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01860	4.4
69.07064	19.6
79.05449	3.0
79.33208	2.4
81.03399	3.7
85.02866	6.5
87.00831	2.7
91.05486	3.4
92.45474	2.0
93.07049	18.2
95.08555	3.8
97.02901	3.1
97.06549	3.7
105.07029	3.5
107.07960	2.3
107.08564	12.4
119.08586	4.7
121.06496	19.9
121.10128	9.4
123.08057	3.2
127.03956	3.5
131.08565	6.2
132.79138	2.0
133.10106	10.8
135.08028	8.4
135.11700	3.0
143.80563	2.1
145.10049	2.2
146.77872	2.1
147.11684	41.0
149.09631	4.6
149.13232	7.0
161.09612	7.0
163.14832	3.5
173.13266	7.4
191.14310	100.0
198.63310	2.4
231.62331	2.0
321.57101	2.4
379.34586	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01873	1.9
55.05499	1.6
56.96544	0.8
57.03421	1.5
57.07062	0.5
59.04997	0.6
59.06112	0.3
61.02912	1.6
64.90376	0.3
67.05507	2.4
68.99782	0.9
69.03076	0.8
69.03431	12.2
69.07059	1.5
69.57510	2.8
70.06583	1.0
71.04993	1.9
72.08149	0.8
73.02917	1.2
79.05502	2.8
81.03422	10.9
81.07056	3.2
83.04978	2.0
83.08598	0.6
84.08144	0.8
85.02906	14.3
85.06511	0.5
85.07677	1.8
86.09727	2.0
87.00830	5.3
91.03981	0.5
91.05483	2.1
93.07050	2.5
95.04974	2.8
95.08608	4.3
97.02888	5.3
97.06494	0.7
98.21432	0.7
98.97581	0.8
99.04469	2.9
99.08094	1.2
102.06313	0.4
105.01873	4.0
105.07032	4.0
107.04944	1.0
107.08601	7.6
109.02876	7.3
109.06518	5.9
109.10155	3.4
111.04453	0.6
111.08047	0.5
115.03934	0.7
116.98621	0.7
117.01841	1.0
117.07017	0.3
119.08595	3.3
121.06528	1.0
121.10149	13.8
121.11018	0.8
122.07333	1.8
123.08091	4.4
123.11708	2.4
127.03928	10.7
129.01808	0.7
129.07005	0.7
131.04842	0.3
131.08556	1.6
133.06557	0.4
133.10138	7.2
135.08040	1.9
135.11688	0.9
137.05988	0.6
137.09622	16.6
137.13243	0.9
143.08528	0.7
145.04973	3.1
145.10088	1.0
147.02882	0.5
147.04385	0.4
147.11615	1.9
149.09625	6.8
149.13271	6.2
151.11188	19.4
152.11470	0.4
158.10909	0.5
159.02921	2.8
163.14813	0.8
165.12759	34.3
166.13109	0.8
173.01163	0.4
173.13280	2.6
175.11093	0.4
189.12613	0.4
191.14308	9.3
193.15897	3.0
209.15373	100.0
210.15701	1.7
213.04010	0.6
227.11186	0.5
231.05008	1.6
281.75580	0.4
394.05948	0.5
457.17551	0.8
457.24142	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
55.01867	4.2
57.03434	3.9
61.02918	3.1
67.05487	6.3
69.03430	16.5
69.07058	5.8
69.57052	8.5
69.57477	8.1
71.04987	8.7
73.02909	3.4
79.05489	7.4
81.03417	14.9
81.07047	8.3
83.08627	3.9
85.02908	24.4
85.06506	4.4
87.00831	5.9
91.05457	8.3
93.07028	7.6
95.04964	7.3
95.08590	9.1
97.02891	10.5
97.06533	5.9
99.04457	7.6
105.01846	7.1
105.07016	14.7
107.08607	18.9
109.02863	12.5
109.06517	99.0
109.10149	25.5
117.07056	3.5
119.08575	6.9
121.10132	7.5
122.47314	2.5
123.08069	15.9
127.03918	20.4
129.07007	2.8
131.08559	22.9
133.10129	48.4
135.08040	49.1
135.11719	3.4
143.08517	3.0
143.70493	2.7
145.04947	6.3
145.10138	7.0
147.11649	7.6
149.09641	4.1
149.13234	5.3
153.09088	5.2
158.10904	6.1
159.02901	9.6
163.14720	3.4
165.12801	3.2
173.13254	40.7
176.11496	2.7
189.12756	2.6
191.14296	100.0
209.15382	39.4
231.04970	3.4
253.11093	6.4
264.13290	2.5
271.12177	2.4
447.41235	2.5
457.21686	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	457.1914
Annotation	(LRha)3
Peak:m/z	Relative Intensity
51.62253	3.8
51.90320	3.5
55.81207	3.5
56.96566	7.2
57.03437	6.2
59.05000	32.4
67.05514	8.6
69.07063	5.6
70.06583	15.1
71.04993	71.2
71.58884	6.0
73.02929	4.5
83.04987	11.6
84.04479	5.0
84.08167	4.0
85.02908	39.7
86.09726	6.5
95.05001	4.5
97.02919	4.5
100.68958	3.9
101.06012	31.9
106.39455	3.7
111.04495	5.5
113.06007	100.0
129.05460	10.5
131.07043	46.7
147.06532	7.2
149.08084	79.2
219.82938	3.6
236.50543	3.8
239.14133	3.6
277.03903	4.2
313.52994	4.0
315.19302	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	457.1854
Annotation	Kushenol G
Peak:m/z	Relative Intensity
55.05481	1.0
60.24319	0.5
62.92092	0.5
64.55019	0.5
67.01818	0.9
67.05444	0.7
68.99784	1.2
69.07023	1.5
70.01749	3.4
74.08435	0.6
75.25503	0.7
79.05441	0.8
81.06998	1.8
82.45988	0.6
91.05458	1.0
93.06990	1.1
95.08566	1.5
109.10102	0.8
132.47025	0.7
137.40459	0.6
139.03851	2.0
147.04390	1.2
153.01825	23.8
161.05841	0.7
171.02827	0.8
173.05893	1.7
173.13243	0.7
173.91901	0.6
175.07446	0.7
189.01707	0.7
196.03923	0.6
197.05960	0.6
203.03285	1.8
207.02846	2.2
213.05522	1.2
225.05362	0.7
237.05426	2.4
241.04735	0.8
242.05692	2.2
243.06458	1.7
252.04124	2.1
253.04941	2.6
255.06505	1.3
265.05051	3.8
269.04385	1.4
273.14819	1.0
279.06415	1.1
280.03729	1.2
281.04449	1.6
282.05008	0.7
283.06012	1.9
287.05518	2.5
293.04474	1.2
295.06052	1.0
297.03952	23.2
297.07281	0.8
298.04715	24.2
299.05469	9.7
310.04605	1.9
311.05487	100.0
312.05832	2.8
313.07217	0.8
323.05530	6.2
324.06320	3.4
325.07050	2.8
337.07001	2.3
381.13327	91.9
382.13651	3.1
383.14771	1.1
407.14783	3.0
413.16220	0.8
425.15933	40.2
426.16248	1.7
452.48071	0.7
457.18600	23.0
458.18924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13672	4.7
55.01867	5.3
65.55836	4.2
69.03422	22.1
69.98531	24.4
70.03792	4.3
70.06601	27.2
72.00654	4.1
81.03421	8.8
84.04501	5.9
84.08138	8.2
85.02916	38.8
86.09673	7.0
90.66296	5.1
91.05502	5.8
97.02895	12.8
98.20869	6.0
105.07065	5.9
109.02881	7.5
110.07204	5.7
110.50381	4.4
110.98326	4.7
123.92294	4.7
127.03923	7.5
129.07011	9.0
129.10225	6.9
131.04839	4.2
134.99619	5.0
143.08492	6.8
145.04897	5.4
145.10127	7.3
147.08067	11.0
157.06549	5.6
157.10181	5.8
159.08047	26.8
162.10429	17.5
163.03955	8.7
171.08099	12.9
172.08842	46.5
173.09607	20.9
175.07648	8.7
181.37328	4.4
185.09598	24.8
190.09897	9.8
197.09625	5.5
198.06688	9.6
213.09088	24.6
215.10782	5.5
231.10207	5.3
237.02806	5.4
241.08662	29.5
259.09692	15.4
277.10776	58.9
295.11798	100.0
333.05109	5.5
379.36121	5.3
426.68884	5.0
449.57059	6.1
457.12634	36.1
457.22589	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	457.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48174	1.4
53.03934	5.0
55.01859	3.5
56.96555	2.3
57.03424	4.6
61.02935	9.0
63.39046	1.5
64.59571	1.7
69.03423	26.5
69.48951	14.1
70.06580	3.5
71.04985	5.9
72.08146	1.8
73.02900	4.5
76.41354	1.3
79.05481	2.9
81.03426	8.9
82.94189	1.5
85.02901	69.0
86.09718	2.4
87.04437	3.8
88.74137	1.3
91.03938	1.6
91.05486	6.4
93.07059	1.9
97.02888	22.7
99.04456	5.0
105.07027	12.5
107.04967	3.0
109.02869	6.0
109.06498	2.5
115.05461	4.1
116.07051	1.5
116.12472	1.3
116.98595	2.1
117.06996	5.2
119.08548	5.4
122.07184	1.5
123.04403	3.0
125.05968	2.1
127.03928	13.7
128.06219	6.7
129.06993	8.8
131.08607	8.1
133.06474	6.5
133.10126	3.8
135.08018	1.6
137.09607	7.9
141.07005	3.4
141.60596	1.5
142.07773	6.2
143.08525	11.8
144.05742	2.0
145.04941	7.8
145.06468	3.7
145.10117	7.5
147.04384	2.6
147.08032	8.3
155.08542	1.7
157.06438	4.0
157.10133	3.3
158.07288	3.3
159.08046	14.1
161.06021	6.8
161.09610	12.0
162.10333	1.7
165.09174	1.6
167.08540	4.2
169.06451	3.1
170.07269	4.3
171.04425	2.2
171.08058	14.1
172.08800	8.9
173.09613	19.7
175.07433	4.1
175.11072	2.2
183.08035	2.1
185.05972	2.0
185.09584	14.3
187.07562	4.9
189.09097	31.1
191.10664	1.7
193.08614	3.5
195.08058	2.6
201.09070	2.9
203.10637	5.9
213.09114	22.6
231.10152	14.5
237.02858	3.6
241.08644	6.7
249.11238	8.8
259.09637	12.9
263.76730	1.9
277.10706	85.9
277.46585	1.8
278.11069	3.8
281.79874	1.6
295.11740	100.0
296.12146	3.7
428.17899	1.5
457.17630	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.112
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03931	4.9
55.01865	2.2
55.05511	1.8
56.96569	1.4
57.03444	7.6
59.04998	3.7
59.06106	1.6
64.72384	1.4
66.52195	1.2
69.03430	19.5
69.43079	9.2
69.43484	2.6
70.06592	8.0
71.04990	9.2
72.08139	3.8
73.02902	5.4
79.05505	1.3
81.03418	26.6
83.06090	3.9
84.08132	3.1
85.02901	6.8
86.09689	4.9
91.05505	1.7
97.02891	4.0
98.97802	1.8
98.98459	15.4
99.04460	11.4
103.05479	2.1
105.07025	3.5
107.04972	4.5
107.15807	1.2
109.02855	2.8
116.07170	1.4
117.05513	9.9
119.01917	9.1
121.06516	1.4
124.04036	1.3
127.03946	2.1
131.01913	1.9
135.08028	3.0
137.02963	3.7
140.99474	2.1
143.00276	1.4
143.01913	1.9
145.03474	1.7
145.07607	2.1
147.04344	1.5
147.09192	2.8
155.01920	2.9
157.07666	1.8
159.09132	6.8
161.02965	10.5
163.07533	4.3
167.07097	6.7
170.07182	2.0
171.09161	1.6
172.08705	32.0
173.03035	3.3
173.07104	3.9
175.08691	3.6
179.03424	2.5
184.08626	1.6
185.02959	4.4
185.10844	1.4
186.10194	1.6
194.08426	1.5
195.10121	1.6
197.02937	10.9
198.06633	7.9
198.10255	3.0
199.12379	1.9
200.08206	4.9
210.10162	1.5
211.04507	3.4
213.11183	2.6
214.09723	3.1
215.03946	2.7
216.07701	21.7
218.09293	4.5
219.07660	3.0
221.03026	2.0
221.04958	2.4
222.03709	1.3
224.11795	2.9
225.06107	3.0
226.06659	1.9
229.05672	2.0
229.08461	2.9
236.05164	1.3
237.06172	1.7
238.07013	1.8
239.04070	4.3
241.08852	1.5
243.08780	54.0
245.05093	25.4
245.13046	1.3
247.04666	2.0
249.06081	1.5
250.89598	1.2
252.05011	1.4
253.05643	4.6
254.06355	6.1
256.07965	1.9
257.04871	1.4
257.10297	1.9
263.06036	7.7
265.05521	2.7
267.07153	2.6
272.07410	2.2
274.09085	2.4
280.07928	4.1
285.09744	1.9
289.05637	2.2
295.10330	5.0
295.16443	2.8
298.08994	7.2
307.10217	3.2
313.11298	34.7
316.13162	1.7
323.11337	3.3
325.11395	5.9
334.09125	5.9
336.12708	1.7
341.12534	10.3
352.09833	1.9
355.12231	1.5
359.13510	46.1
377.14630	5.1
382.11066	6.6
396.09641	9.0
397.08115	3.1
397.13333	15.2
414.10742	10.2
415.14563	3.9
421.09027	6.2
439.10156	100.0
440.10330	3.8
457.10974	33.4
457.16446	5.2
457.21756	2.1
470.33359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01860	0.5
55.05499	0.2
56.96564	0.4
57.03425	0.5
61.02916	0.4
65.03922	0.4
67.05486	0.5
68.99805	0.2
69.03430	2.2
69.07050	0.5
69.79016	0.1
70.06593	1.8
71.04969	0.4
71.59294	0.2
72.08143	0.5
73.02908	0.5
79.05495	1.0
81.03413	2.3
81.07063	1.2
83.04963	0.4
84.08115	0.4
85.02428	0.2
85.02907	3.6
85.06551	0.2
86.09718	1.3
87.00823	1.2
91.05457	1.0
93.07047	1.3
93.62789	0.1
95.04974	0.9
95.08620	0.7
96.08875	0.1
97.02888	1.5
97.06504	0.6
98.97578	0.3
99.04465	1.0
105.01863	1.0
105.03413	0.2
105.07040	1.3
107.04955	2.2
107.08575	0.5
109.02863	2.4
109.06503	0.8
109.10111	0.2
110.03646	0.3
111.08115	0.8
116.98648	0.3
117.01809	0.2
117.07007	0.3
119.04962	0.2
119.08544	0.6
121.02878	0.8
121.06501	0.7
121.10145	1.6
123.00792	1.4
123.08065	0.4
123.11700	0.5
125.02344	0.3
125.05972	0.3
125.09615	0.2
127.03918	3.1
129.07011	0.2
131.08517	0.4
133.02818	0.2
133.06111	0.3
133.10112	0.5
135.04422	1.9
135.08064	0.3
135.11665	0.2
136.07556	0.2
137.05960	0.6
138.03088	0.8
139.07568	0.3
141.01822	0.9
145.04945	0.9
145.06087	0.1
145.10069	0.2
147.08047	0.2
147.11673	0.5
149.02339	7.9
149.09610	5.3
150.03139	0.7
151.07495	0.2
151.11189	0.4
153.05461	4.5
157.10135	0.2
159.02855	0.7
161.06064	0.2
161.13315	0.1
163.03911	3.9
163.11238	0.2
165.05493	1.7
165.12746	0.2
166.02608	0.8
169.01329	2.2
169.12238	0.9
170.83890	0.1
173.13226	0.2
175.07442	0.2
175.11230	0.4
177.01918	0.3
177.05585	0.2
181.04958	1.3
187.07295	0.2
188.79990	0.1
189.12761	0.2
191.10684	0.2
191.14278	0.8
192.00075	0.1
193.12236	0.4
194.02107	8.4
195.02437	0.3
195.04460	0.1
197.82121	0.1
199.11032	0.2
207.13733	0.3
209.04442	100.0
209.15430	0.4
210.04771	2.3
211.13249	0.9
217.12286	0.6
229.14267	0.4
231.05035	0.5
235.13225	0.3
237.02853	0.2
253.14468	0.3
277.14066	0.3
291.22910	0.2
295.14893	0.7
413.17722	0.3
457.20746	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81218	2.3
53.03931	2.8
55.01862	7.7
55.05502	6.3
56.96545	3.4
57.03431	8.3
59.72175	2.0
61.02905	6.7
61.33990	1.9
67.05515	5.2
69.03425	56.1
69.07065	90.6
69.87462	13.8
70.06589	24.5
71.04975	8.2
71.06895	2.8
72.08161	15.4
73.02920	3.4
76.19370	2.0
79.05480	3.9
81.03410	30.1
81.07055	10.1
83.04963	4.0
84.04483	3.0
84.08128	19.7
85.02903	100.0
85.06516	3.9
86.09700	44.4
87.00830	3.0
87.10049	3.5
91.05475	5.4
93.07054	7.7
95.04974	6.2
95.08613	10.4
96.08945	2.1
97.02887	31.0
97.06542	12.5
98.97588	4.0
99.04438	13.7
101.02384	2.8
103.04010	2.7
103.05495	2.6
105.01826	2.9
105.07027	5.9
107.04950	5.9
107.08589	7.4
109.02879	22.4
109.06543	3.7
110.07184	2.3
111.08104	3.1
113.05998	3.3
115.07585	21.8
116.07076	3.8
116.98672	3.2
119.04984	2.6
119.08578	6.8
120.08089	9.8
121.06537	6.6
121.10181	3.0
123.00764	12.6
123.11697	3.5
125.02338	2.3
127.03909	68.5
127.04775	2.6
129.01955	2.1
129.10236	9.4
131.08595	4.8
133.10141	5.7
134.99661	2.9
135.04442	2.8
141.01823	9.2
145.04958	31.1
147.11667	4.5
148.04819	2.3
149.01224	2.3
149.09604	10.9
150.09996	2.8
151.03877	2.9
153.05418	3.7
155.08199	3.5
163.03929	5.3
163.05989	3.9
167.08528	4.6
169.01247	16.7
169.12250	5.5
175.11002	4.3
177.00711	3.6
180.08687	3.0
185.16444	4.2
189.12698	4.0
190.13167	6.1
193.12192	4.3
207.13707	4.4
208.14098	4.2
209.04424	34.9
209.11678	2.6
211.13271	5.6
223.09599	4.6
229.14410	3.4
235.13165	4.1
241.10707	40.6
253.14301	4.1
259.11758	81.9
260.12250	3.2
295.16473	9.0
316.16315	3.6
345.77777	2.6
434.31851	2.5
451.00375	2.7
456.23358	8.0
456.29166	2.9
457.16782	8.3
482.29538	4.0
483.29965	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50351	2.0
55.05503	9.0
57.07076	3.4
63.30715	1.7
67.05489	12.2
69.07063	17.9
79.05499	11.5
79.56670	2.0
81.07052	24.1
81.09583	2.0
83.08618	7.3
91.05476	14.5
93.07045	26.6
95.04990	3.0
95.08602	44.2
97.06523	1.9
97.10159	3.1
98.21517	4.3
105.07024	32.3
107.08591	39.3
109.06504	2.4
109.10146	24.5
111.08121	2.0
117.07019	4.1
119.08578	91.9
121.10143	33.9
123.11710	9.9
131.08571	14.1
133.10132	34.2
135.11682	31.4
137.13297	5.6
143.08566	3.8
144.09332	2.8
145.10126	26.2
147.11685	19.8
149.13235	14.2
157.10110	5.2
159.11702	20.6
161.13274	20.9
163.07594	2.3
163.14810	7.3
171.11787	2.4
173.09589	3.0
173.13266	10.0
175.14839	14.1
177.16360	8.5
179.10748	3.8
185.13232	2.3
187.14821	20.5
189.16371	27.3
191.17950	100.0
192.18402	2.6
199.14696	2.7
201.16382	54.9
203.17958	50.0
204.18468	2.0
205.19519	6.2
213.16423	4.8
215.17970	7.5
217.19504	4.5
219.17520	6.0
222.44504	1.9
227.17947	2.1
229.15915	5.5
229.19589	4.4
233.15398	5.3
241.19499	2.3
247.16980	30.2
255.21133	4.1
261.18515	3.6
269.22736	2.7
275.19901	2.2
301.21762	2.9
311.05524	2.6
315.23105	1.9
391.33575	5.0
409.34622	5.5
431.80624	2.0
437.34253	22.4
455.35275	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	455.3521
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
51.02345	2.8
52.41032	2.8
53.03952	2.9
55.05505	15.0
57.07069	3.0
67.05499	31.3
69.07067	22.0
70.22239	11.3
71.04983	3.1
77.03919	3.4
79.05494	23.1
80.86105	2.3
81.07056	60.8
81.67699	3.2
83.08618	9.0
85.06548	3.1
85.25951	2.6
91.05479	23.8
93.07036	55.4
95.04964	6.7
95.08605	100.0
97.06513	13.8
97.10186	4.5
97.26160	3.0
99.08119	2.8
103.05495	4.4
105.06374	5.8
105.07027	63.1
107.08591	74.9
109.06494	5.9
109.10155	57.9
111.08087	40.5
117.07010	8.1
119.08581	88.6
121.10146	56.2
123.08038	6.5
123.11710	24.4
125.09660	5.5
129.06934	2.9
131.04939	12.5
131.08582	24.2
133.10129	69.4
133.11092	5.7
135.11697	26.0
137.09636	3.4
137.13223	6.5
139.11203	4.0
142.07768	4.6
143.08557	10.6
145.10146	39.3
147.11688	42.2
149.09677	4.3
149.13257	46.8
151.11142	4.5
156.09312	5.2
157.10132	24.4
158.11029	3.8
159.11697	49.2
159.12875	5.4
161.05986	4.8
161.13254	59.1
163.07526	6.2
163.14842	21.5
165.12770	3.5
169.10126	6.5
171.11667	24.4
172.11856	2.5
173.13274	30.4
175.11163	4.0
175.14818	45.2
177.12729	5.4
177.16362	12.7
179.10687	4.6
183.11615	4.3
185.13220	14.5
187.14813	26.5
189.16403	32.6
191.14302	5.9
191.18031	5.0
193.12256	10.5
193.15889	4.8
197.13287	5.1
199.14838	11.9
201.16341	21.5
203.14314	8.9
203.17999	16.1
205.15900	10.4
207.13818	4.8
207.17424	12.5
211.14972	3.6
213.16489	10.3
215.17897	15.4
217.15820	6.3
217.19464	6.5
219.17545	10.2
221.15390	29.5
221.19003	4.5
229.15970	4.0
229.19511	2.9
231.17404	13.0
233.19016	9.5
235.16914	4.8
239.17955	3.5
243.17442	4.1
247.16910	7.1
249.18527	9.4
251.17851	3.0
255.21123	4.4
257.15250	3.4
261.18509	10.3
269.19028	2.9
285.30020	2.8
303.23343	3.2
313.25076	4.8
336.59146	3.1
395.33646	3.5
397.31024	17.7
407.33023	4.1
419.33044	13.6
425.34219	18.7
437.34229	51.1
455.22098	3.1
455.35226	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.2
67.05508	22.0
69.03394	1.9
69.07069	13.1
69.54678	11.6
69.55087	3.9
73.37347	2.0
79.05492	16.6
81.07058	33.5
83.04967	2.6
83.08627	5.7
84.22817	2.0
91.05476	17.4
93.07044	39.5
95.04994	2.5
95.08611	100.0
97.06527	9.3
97.10171	3.4
98.21477	3.9
105.07027	34.1
107.08604	48.2
109.06541	3.6
109.10157	37.2
111.08086	7.1
117.07013	9.2
119.08581	45.0
120.81705	2.0
121.10151	31.0
123.11691	13.9
129.07030	5.2
131.08594	15.5
132.85335	2.1
133.10121	26.7
135.08064	2.5
135.11678	24.6
137.13284	4.7
139.11221	3.9
143.08575	7.7
145.10127	26.2
147.04521	1.9
147.11699	20.1
149.13255	12.8
153.12700	4.0
155.08502	3.4
157.10112	10.5
158.10947	2.6
159.11690	26.0
161.13235	16.8
163.11194	2.5
163.14816	5.8
164.69174	1.8
165.09122	2.2
165.12694	3.0
169.10201	3.5
171.11646	9.9
173.13261	12.4
175.14842	14.3
177.12770	3.5
177.16391	8.5
179.14284	2.6
183.11693	4.1
185.13261	8.1
187.14844	13.6
189.16399	12.7
191.14301	2.5
191.17947	15.3
193.15869	4.2
195.11676	2.0
195.17476	4.2
197.13359	4.6
199.14790	10.0
201.16365	14.5
203.14369	2.6
203.17989	12.3
205.15930	5.9
207.17422	4.1
213.16443	5.5
215.17967	9.3
217.15884	1.8
217.19421	4.5
219.17456	9.2
225.16377	3.5
227.17999	5.6
231.17505	2.8
241.19579	3.2
243.17448	6.0
243.21004	2.7
245.19063	3.4
247.16913	4.4
253.19716	2.5
257.19223	2.2
261.18469	16.6
271.20578	5.2
273.22128	3.4
283.20703	2.6
285.22061	3.2
287.20108	4.6
289.21680	10.3
301.21576	8.2
315.23242	3.2
379.29803	3.3
411.19962	5.1
419.33017	6.8
437.34235	22.6
455.18790	8.7
455.35321	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	455.3535
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03943	3.1
55.01878	3.2
55.05508	14.6
56.96571	5.1
57.03434	2.8
57.07075	4.2
62.06052	2.0
63.50903	2.2
67.05506	29.8
68.83244	2.8
69.03423	4.6
69.07071	19.2
69.32066	26.7
70.06595	3.8
73.02909	2.4
79.05491	24.3
81.03429	2.7
81.07056	54.0
83.04968	4.0
83.08618	7.2
85.02950	4.2
91.05477	31.3
93.07044	53.9
94.07384	2.3
95.04977	7.8
95.08606	100.0
97.02913	2.4
97.06532	49.3
97.10188	2.9
97.28836	2.4
98.97575	4.6
99.08099	3.1
103.05453	3.7
105.06335	1.5
105.07027	58.1
107.04960	13.5
107.08595	62.1
109.06504	9.3
109.10161	46.0
110.10485	2.5
111.08072	11.9
115.05444	3.0
116.98662	4.2
117.07014	9.9
119.08580	92.3
121.10140	50.6
123.04405	2.9
123.08081	6.1
123.11711	19.5
127.03901	2.5
128.06207	3.5
129.07030	8.1
130.07748	3.2
131.04924	8.6
131.08578	32.5
133.06436	3.9
133.10136	51.5
134.10545	3.1
135.08096	2.9
135.11687	34.4
137.09633	3.9
137.13257	7.1
139.11249	3.9
141.07109	3.0
142.07817	7.5
143.08556	14.7
144.09282	2.5
145.10126	46.1
147.04381	3.4
147.11693	48.9
149.06093	2.7
149.09612	4.2
149.13263	27.9
151.07472	3.2
155.08560	6.2
155.10742	4.1
156.09383	5.4
157.10135	31.9
158.10883	4.3
159.11693	60.8
160.12079	3.2
161.09546	3.8
161.13254	32.1
163.11224	2.6
163.14827	9.1
165.12740	5.3
169.10132	6.3
170.10966	3.1
171.11707	19.9
172.12439	3.3
173.09554	2.4
173.13255	37.6
175.11240	4.7
175.14830	25.8
177.16403	12.1
182.10834	3.4
183.11685	10.8
185.13260	11.5
187.14845	26.3
188.15195	3.0
189.16386	22.6
191.14339	3.6
191.17975	46.2
193.10275	2.8
193.12245	3.0
193.15874	5.3
195.11679	2.8
195.17509	3.4
197.13310	8.6
199.14873	17.2
201.16379	43.6
203.14331	5.7
203.17943	24.6
205.15852	11.2
207.13667	3.2
207.17407	6.4
211.14900	7.7
213.16383	17.4
215.14388	5.2
215.17899	8.0
217.15919	9.9
217.19577	4.3
219.17403	11.5
225.16409	6.3
227.17909	7.3
229.15845	5.4
229.19516	4.7
231.17419	12.0
233.19051	4.2
237.02864	8.4
237.16322	2.9
241.19417	3.7
243.17462	6.1
247.16974	12.3
259.20651	2.6
261.18579	10.3
269.22409	2.8
271.20587	3.7
275.06763	2.9
279.03766	5.3
279.10526	5.5
279.21008	2.6
285.22089	3.8
294.05264	3.4
301.17816	3.0
301.21649	4.1
315.23172	3.3
335.02881	6.3
336.03162	3.1
379.30005	22.7
397.30981	3.5
407.12582	5.0
407.32495	2.9
409.34607	6.8
416.13184	4.9
416.63501	3.5
419.32996	14.4
425.33969	3.4
434.20169	3.6
437.34207	47.8
443.20959	5.0
455.35040	45.7
456.27426	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03933	4.5
55.01888	1.9
55.05513	16.3
57.07076	4.6
59.04992	3.7
67.05506	34.5
69.03421	4.3
69.07060	18.2
69.88422	1.9
71.04986	2.7
71.08620	2.3
79.05494	26.0
81.07059	69.0
83.04991	2.6
83.08615	8.1
85.06519	4.6
91.05482	24.2
93.07046	58.5
95.04968	6.3
95.08610	100.0
97.06544	13.6
97.10163	6.6
99.04429	2.5
99.08069	3.6
101.41968	1.8
105.07034	66.2
107.08596	70.9
109.06516	7.0
109.10162	61.7
111.08090	36.2
117.07025	7.4
119.08584	87.1
121.06488	2.4
121.10150	62.9
123.08058	4.8
123.11705	26.3
125.09650	4.8
129.07036	4.4
131.08571	24.7
133.09102	3.3
133.10132	66.8
135.08066	4.4
135.11688	35.9
136.51616	2.3
137.09595	5.5
137.13249	8.2
139.11160	3.7
142.07753	4.2
143.08560	11.0
144.09314	3.1
145.10121	43.0
147.11690	53.9
149.09648	5.0
149.12157	3.7
149.13258	39.0
151.11200	2.3
153.12720	2.1
155.08592	3.3
155.10715	2.6
156.09352	3.5
157.10120	24.3
158.10840	2.8
159.10422	4.3
159.11690	52.5
161.09618	3.4
161.13258	67.7
163.11209	3.0
163.14818	24.1
165.12781	4.7
167.10675	2.1
169.10110	4.6
171.11687	17.8
173.13278	37.9
174.14037	2.0
175.11176	6.1
175.14830	42.8
177.12767	5.1
177.16399	15.1
179.10596	2.3
181.10181	2.2
183.11703	6.5
185.13287	15.7
187.14809	28.6
189.12778	5.8
189.16399	30.8
191.14336	2.5
191.17973	7.4
193.12225	6.5
193.15872	4.3
195.11748	2.4
195.17595	2.0
197.13281	4.5
199.14803	14.1
201.16388	19.5
203.14287	6.2
203.17967	17.9
205.14221	2.0
205.15811	11.4
207.13821	3.5
207.17451	14.5
209.13373	3.0
211.14764	4.8
213.13034	2.5
213.16411	10.3
215.14378	3.5
215.17949	14.2
217.15877	8.1
217.19504	7.2
219.13792	3.2
219.17412	8.0
221.15384	28.9
221.18846	3.6
221.86238	2.2
223.14835	2.4
225.16368	6.0
227.17921	4.3
229.15976	2.9
231.13814	3.0
231.17471	16.2
233.15363	5.0
233.19051	12.1
235.16951	4.3
239.17964	4.9
241.19589	2.3
243.17412	4.3
243.21027	3.0
247.16902	8.3
249.18494	7.4
257.19104	2.4
259.20627	2.1
261.18536	6.8
269.19086	2.2
269.22528	2.3
273.18594	2.6
273.21606	2.0
275.20056	3.6
287.20016	2.2
289.21802	2.8
297.22336	2.8
311.23584	2.2
315.23035	3.2
343.26419	2.2
379.29919	5.0
395.33218	3.2
397.31055	18.4
401.32285	2.6
407.33145	3.8
419.33072	12.0
425.34152	14.2
437.34128	54.8
455.35251	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01867	5.7
55.05513	18.6
56.96568	3.7
57.07059	5.4
57.42302	2.0
61.02917	4.2
67.05506	23.2
69.03429	10.0
69.07070	19.6
70.06574	2.6
71.60345	2.9
73.02912	2.8
79.05489	25.8
81.03397	6.0
81.07053	43.1
83.04982	3.0
83.08603	11.7
84.89635	2.4
85.02906	10.0
86.09680	3.0
86.99059	2.7
91.05482	29.4
92.29115	2.3
93.07043	43.0
93.31794	2.2
95.04961	10.1
95.05518	2.7
95.08041	4.8
95.08605	65.3
97.02923	3.6
97.06533	7.5
97.10197	3.6
99.04453	5.1
99.08082	14.5
104.43666	2.6
105.07029	54.7
107.07864	3.8
107.08595	65.2
109.02874	4.5
109.06519	8.3
109.10153	42.3
111.04463	6.6
111.08062	4.9
111.11697	2.8
115.05460	2.8
116.98633	2.8
117.07015	7.3
119.08585	81.3
120.08064	2.7
121.06493	2.5
121.10144	52.1
123.08076	5.7
123.11717	13.4
127.03941	6.2
129.07001	6.9
130.07648	2.4
131.08566	44.1
133.10129	53.2
135.08066	5.5
135.11684	37.7
137.02319	13.0
137.06012	2.8
137.13220	6.6
141.07080	3.8
142.07764	10.3
143.08536	11.4
145.10124	50.3
147.11676	50.9
149.09622	3.4
149.13263	13.6
151.07603	4.7
155.08495	5.2
157.10127	23.9
159.11696	35.4
161.09573	5.2
161.13254	16.0
163.14830	16.7
165.09087	3.1
169.10158	3.8
171.11696	10.8
172.12363	3.3
173.09554	3.4
173.13219	20.4
175.11194	7.1
175.14850	14.4
177.16322	5.5
179.14317	6.0
182.15331	2.9
183.11681	8.5
184.73817	2.9
185.13239	7.2
187.14832	36.1
189.12747	7.3
189.16422	26.3
191.17953	100.0
192.18242	3.5
199.14825	4.6
201.12764	6.7
201.16386	86.8
203.17986	25.2
211.14980	2.7
215.17883	6.1
217.15973	3.8
217.19554	9.0
219.17459	10.0
227.17862	5.1
229.12294	3.3
229.16026	3.6
229.19534	5.7
231.21150	6.6
241.19453	3.0
247.16992	7.8
273.04013	10.3
279.10464	14.8
301.03470	3.2
319.04547	5.5
384.79938	2.5
391.33582	4.8
396.64053	2.9
409.34610	34.6
437.34351	11.9
455.19696	8.5
455.35239	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03937	3.9
55.05521	12.8
57.07062	2.4
66.39836	2.6
67.05502	27.8
69.03433	3.2
69.07068	21.0
69.78904	17.0
70.06586	2.6
78.90078	2.4
79.05494	18.7
79.48740	2.3
81.07062	55.0
83.04967	6.7
83.08628	6.7
85.02907	2.7
91.05483	27.1
93.07047	55.7
95.04955	3.1
95.08607	100.0
97.06535	64.8
97.10188	4.9
100.69730	2.8
105.07029	67.7
107.08595	59.8
109.06525	11.7
109.10160	39.1
111.08070	15.8
117.07012	7.1
119.08582	81.6
121.10143	50.1
123.08068	4.8
123.11706	15.2
125.09636	3.4
129.07033	7.2
131.08557	31.1
133.10135	44.6
135.11687	31.6
137.09637	6.7
137.13269	5.1
139.11183	6.5
142.07755	5.4
143.08571	20.2
144.09311	4.4
145.10121	46.8
147.11685	46.5
149.09624	3.6
149.13272	30.8
151.11238	5.3
151.14879	2.8
155.08554	4.4
156.09311	4.8
157.10158	33.0
159.11699	78.5
161.09592	2.7
161.13255	28.2
163.14828	10.4
165.12750	7.0
169.10109	7.3
170.10904	6.4
171.11670	27.7
173.13281	38.5
175.11407	3.3
175.14827	25.6
177.12750	4.9
177.16391	15.3
182.10898	3.1
183.11671	14.7
185.13290	14.4
187.14835	29.0
189.16335	17.1
191.14296	4.1
191.17999	6.6
193.15862	8.5
195.11557	4.3
195.17516	3.2
197.13246	10.7
199.14828	23.9
201.16373	22.2
203.14374	6.3
203.17947	6.7
205.15909	16.7
207.17487	10.6
209.13354	3.8
211.14836	6.8
213.16373	20.5
215.17924	9.9
217.15939	16.6
217.19417	3.4
219.17427	13.6
225.16362	8.1
227.17982	5.4
229.15860	4.9
231.17433	14.5
233.18906	6.5
243.17532	11.5
243.21165	3.2
245.18967	4.2
247.16994	5.7
249.18567	2.9
261.18625	13.8
271.20523	4.9
283.20645	4.4
287.20099	2.8
289.21735	5.3
301.21658	4.6
315.23239	4.3
361.29282	4.7
362.75867	2.9
379.29990	25.8
387.20572	3.7
393.31693	3.2
397.30975	6.6
407.32986	6.3
419.33160	21.8
425.33997	7.3
437.34244	62.4
438.34265	3.5
455.29977	3.4
455.35416	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
53.18292	4.5
55.05506	16.1
57.07066	6.5
63.03798	5.0
65.81161	5.0
67.05496	26.1
69.03452	5.3
69.07060	27.2
70.59293	5.1
71.21709	11.5
79.05501	25.2
81.07053	46.5
83.08624	13.5
86.09705	5.7
91.05488	27.4
93.07027	35.6
95.04976	8.9
95.08610	74.3
97.10187	7.6
99.08089	12.2
105.07025	51.0
107.08601	66.4
109.02825	5.6
109.06509	18.8
109.10157	49.2
111.08000	5.1
117.07022	8.8
119.08580	70.3
121.10139	50.7
123.11726	15.4
131.08568	39.9
133.10130	48.0
135.11690	37.6
143.08609	9.3
145.10129	49.8
147.11667	52.7
147.34888	5.6
149.02380	7.8
149.13298	18.5
157.10167	14.9
158.10985	4.6
159.11673	31.0
161.13266	29.9
163.07539	7.2
163.14842	21.2
165.09122	5.4
171.11745	5.9
173.13287	27.2
175.14848	15.7
177.16423	7.0
185.13307	6.1
187.14798	48.1
189.16350	29.5
191.17932	100.0
199.14812	8.7
201.16389	90.7
203.17970	34.9
207.46539	5.3
207.72374	5.7
215.18033	9.1
217.15898	8.5
217.19524	10.8
219.17392	8.4
231.21140	8.6
237.07535	9.1
238.07910	6.5
247.16943	11.3
269.22586	6.9
374.31781	5.7
384.73462	6.0
409.34683	55.7
436.50714	5.0
437.34146	23.4
455.16815	5.7
455.35715	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.8
56.96563	6.0
57.07081	7.9
58.93093	3.4
67.05506	30.4
69.07064	26.0
69.32350	43.3
71.08601	3.8
79.05499	18.4
81.07060	75.7
83.08610	10.0
84.91272	3.5
91.05467	15.5
93.07036	26.1
95.04932	6.1
95.08604	100.0
97.10181	5.8
98.20734	10.4
105.07036	27.6
107.08601	38.6
109.06497	6.3
109.10166	46.4
111.08076	4.6
117.07027	4.0
117.72506	4.3
119.08568	68.6
121.10130	33.2
123.08028	4.4
123.11724	29.3
131.08580	17.0
133.10147	27.6
135.11673	23.7
137.13257	33.5
143.08548	5.4
145.10126	33.9
147.11668	17.2
149.05971	4.2
149.13264	12.4
149.17300	3.9
150.05479	4.3
157.10089	6.4
159.11717	14.6
161.13257	10.4
163.07555	9.6
163.14844	12.4
169.10129	6.7
171.11624	8.6
173.13249	17.2
175.14864	9.8
177.16432	8.4
179.17941	6.9
183.11681	7.0
185.13246	10.4
187.14737	22.4
189.16400	9.6
191.17982	30.1
199.14807	15.6
201.16394	17.2
203.17921	17.4
205.19579	6.4
211.14862	6.6
213.16411	24.4
215.17964	4.1
229.15956	22.8
231.17511	5.0
233.15498	3.8
239.18169	5.9
245.15390	6.1
247.16805	7.4
257.15363	7.5
259.16986	7.7
275.16479	7.2
291.23038	3.8
335.21689	6.7
391.33667	7.3
393.03275	4.4
409.34430	14.0
425.45230	3.9
437.34146	20.6
455.16708	4.1
455.35400	11.9
460.70569	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.8
56.96553	2.8
57.07061	2.8
67.05503	32.4
69.07074	13.1
70.05898	11.1
73.40831	2.8
74.40914	2.8
79.05495	19.6
81.07060	48.3
83.05000	3.0
83.08617	9.5
84.18092	2.7
91.05473	20.6
93.07043	48.0
95.04963	4.8
95.08606	100.0
97.06527	7.7
97.10168	4.7
105.07032	35.8
107.08591	54.7
109.06532	8.6
109.10149	36.7
110.01659	2.6
111.08074	25.5
117.07017	5.3
119.08582	49.8
121.06471	3.5
121.10149	33.0
123.08083	5.7
123.11750	13.9
125.09608	3.0
131.08574	17.3
133.10123	35.1
135.08084	5.1
135.11708	28.2
137.09654	5.5
137.13268	7.9
139.11151	6.7
143.08568	11.6
144.09267	3.0
145.10104	26.3
147.11688	28.1
149.09666	5.4
149.13239	22.2
151.11160	5.7
156.09355	4.8
157.10202	16.9
159.11697	33.1
161.09616	3.8
161.13248	26.4
163.11124	3.3
163.14833	12.4
165.12813	3.2
167.63893	2.8
169.10130	2.8
171.11726	16.1
173.13281	19.0
175.11172	5.7
175.14801	17.8
177.12766	5.3
177.16365	7.9
183.11685	9.5
185.13254	9.4
187.14810	11.4
189.12721	2.7
189.16415	12.3
193.12190	4.2
193.15898	8.1
195.11763	3.1
195.17476	10.8
197.13281	6.2
199.14830	10.7
201.16393	9.3
203.14326	4.7
203.17958	7.3
205.15875	5.6
207.17500	7.3
211.14816	5.0
213.16393	10.9
215.17938	10.8
217.15862	5.7
219.17422	8.7
221.15344	6.3
221.18927	2.9
221.62688	2.8
229.15869	3.7
231.17372	3.6
233.15559	3.0
233.19162	2.9
239.17932	4.1
243.17390	3.6
247.16878	3.9
249.18544	3.0
260.54187	2.7
261.18546	16.3
261.22049	2.9
277.13876	2.7
287.20001	4.9
289.21786	6.3
315.23364	5.7
358.16318	5.3
397.30850	6.8
400.86749	2.6
419.32938	4.7
425.34244	6.3
437.34348	20.9
455.35413	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.2
56.96556	3.9
57.07071	5.1
58.61167	2.4
65.87041	2.3
67.05501	25.7
68.99793	3.0
69.03416	2.9
69.07064	34.9
69.64726	3.1
69.80226	17.2
71.04999	2.9
79.05495	19.9
81.07054	54.0
83.04977	5.6
83.08607	11.7
88.39352	2.8
91.05468	22.7
93.07043	43.1
95.04974	4.8
95.08602	100.0
97.06511	3.7
97.10169	4.4
99.08103	16.7
105.07022	53.3
107.08594	69.0
109.06505	3.6
109.10152	45.0
111.08097	6.4
113.82648	2.4
117.07014	8.1
119.08578	78.3
121.10136	47.8
122.10493	2.4
123.08083	7.1
123.11691	18.3
125.09589	3.9
131.08559	35.7
133.10126	51.0
135.11687	40.4
137.09584	5.9
137.13272	10.2
139.11174	4.8
143.08572	5.9
145.10120	42.0
147.11690	47.1
149.13234	26.8
151.11177	3.1
153.01805	7.6
157.10118	16.7
159.11687	32.1
161.13234	25.0
163.11237	4.0
163.14848	12.3
165.12787	2.8
169.10173	3.2
171.11684	7.7
173.13292	20.6
175.14839	19.2
177.16394	10.3
179.14209	3.1
183.11702	3.9
185.13184	7.2
187.11081	3.2
187.14816	21.2
189.12697	4.7
189.16359	21.3
191.17941	80.5
197.13179	3.4
199.14799	8.4
201.12985	3.3
201.16377	83.1
203.14351	7.0
203.17966	24.8
205.15852	7.3
205.19540	7.0
207.17421	3.8
213.16432	7.7
215.17937	7.6
217.15820	6.2
217.19475	10.9
219.17441	22.6
225.16225	4.5
229.15817	3.7
229.19539	5.0
231.17479	3.7
231.21080	4.5
233.19020	4.6
241.19376	3.0
247.16980	10.9
261.18491	10.2
275.19998	3.3
284.15408	4.0
289.21671	3.5
297.03992	10.1
298.04642	8.4
299.05606	4.8
301.21497	3.9
311.05521	57.8
312.05859	5.2
315.23279	4.4
323.05487	12.8
325.07077	4.6
337.07022	3.4
341.06451	5.8
342.06833	3.4
353.06418	6.4
379.11798	6.7
391.33691	6.1
396.24081	5.3
409.34601	36.1
419.33246	4.9
423.14230	3.5
437.34476	19.7
455.17111	4.2
455.35266	44.8
459.24847	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
51.98003	2.7
53.03940	2.6
55.05507	14.6
57.07062	5.4
57.49937	2.1
58.36192	2.1
67.05504	34.5
69.07076	17.0
69.57925	18.7
72.01182	2.2
73.50771	2.1
76.42564	2.2
79.05483	24.6
81.07056	65.4
83.04945	3.5
83.08614	7.9
85.06574	2.7
91.05457	23.0
93.07044	56.6
94.23510	2.3
95.04983	4.7
95.08607	100.0
97.06544	11.6
105.07027	61.4
107.08592	68.0
109.06489	5.8
109.10158	50.6
111.08080	40.8
117.07011	8.5
119.08584	89.1
121.06548	3.3
121.10149	60.7
123.08056	7.5
123.11719	23.8
125.09670	5.5
129.06960	3.3
131.08554	25.9
133.10130	67.4
135.08041	6.1
135.11699	30.7
137.09610	5.6
137.13206	6.9
139.11194	4.8
142.07791	3.4
142.37491	2.3
143.08551	10.2
144.09279	5.8
145.10127	43.0
147.11673	45.8
149.09567	5.6
149.13258	40.8
151.11096	2.7
153.09084	2.7
155.08571	3.3
157.10104	27.7
158.10899	3.2
159.10442	3.7
159.11691	49.1
159.13776	2.6
161.09618	4.0
161.13255	68.0
163.11226	3.9
163.14836	25.5
165.12721	4.3
169.10109	5.0
171.11725	18.8
173.13264	37.9
175.11299	3.7
175.14832	46.5
177.12779	6.4
177.16362	13.9
183.11635	5.4
185.13281	18.0
187.14818	27.4
189.16377	28.0
191.10817	2.4
191.14427	3.0
191.17955	9.0
193.12196	7.2
193.15915	4.2
197.13318	5.0
199.14801	11.7
201.16467	21.0
203.14308	6.8
203.17935	19.3
205.15874	10.6
207.13719	3.3
207.17479	15.5
211.14803	4.1
213.16396	10.7
215.18002	16.4
217.15843	6.9
217.19510	6.7
219.13890	6.0
219.17471	11.4
221.15353	30.9
221.19026	8.6
225.16438	5.2
227.17926	5.9
229.15955	5.7
231.17433	10.8
233.15364	4.3
233.19055	7.8
235.16896	6.2
241.19562	4.3
243.17476	6.8
247.16891	8.2
249.18542	7.8
259.20505	3.3
261.18512	6.6
264.22437	2.6
269.19080	3.9
269.22641	3.4
271.20337	2.8
379.29565	4.0
395.33423	4.4
397.30881	17.9
407.32846	3.8
409.34897	3.0
419.33224	13.2
425.34009	12.6
437.34183	63.4
455.35281	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.8
56.99139	6.7
67.05504	26.2
69.07063	27.1
71.59898	8.7
71.60287	9.0
79.05482	22.6
81.07037	53.2
83.08613	10.8
91.05469	22.8
93.07044	52.9
95.08048	9.3
95.08605	100.0
97.10189	12.3
105.07018	57.4
107.08582	54.0
109.06541	8.1
109.10141	45.3
111.08086	96.3
117.06982	9.7
119.08586	80.9
121.10150	47.9
123.11716	18.6
129.26591	6.7
131.08572	17.9
133.10133	63.9
135.11688	30.6
137.09583	8.8
145.10188	32.7
147.11685	59.9
149.09566	8.4
149.13243	43.6
157.10077	8.9
159.11705	20.7
161.13226	49.4
163.14783	22.3
172.95219	33.7
173.13260	30.7
175.14815	30.4
177.16353	26.7
177.67052	7.8
187.14816	19.6
189.16386	76.8
190.96259	28.6
191.17943	16.5
201.16376	42.8
203.17953	80.6
205.15848	13.8
207.17380	16.6
215.17986	23.3
219.17461	17.8
228.97827	19.4
235.16942	10.5
249.18661	9.4
302.22498	6.7
324.78809	7.0
337.20438	8.9
409.34827	48.1
425.34341	8.0
437.34293	37.0
455.35660	42.4
473.19934	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.41471	3.5
55.05508	21.1
57.07069	11.7
65.69682	3.9
66.35379	3.9
67.05504	23.3
67.10421	3.5
69.07076	26.8
71.60892	6.5
74.24482	4.0
76.08084	3.7
79.05492	27.3
81.07063	57.4
83.08593	12.8
89.06040	4.8
91.05480	15.5
93.07051	41.4
95.08607	77.1
97.10159	11.6
105.07037	54.6
107.08585	58.3
107.98170	4.4
109.06499	13.9
109.10150	42.7
111.07350	7.7
111.08076	100.0
113.78673	4.3
119.08590	73.7
121.10136	38.8
123.08105	6.0
123.11733	19.0
125.09624	8.7
131.08560	20.6
133.10129	49.8
135.11676	20.7
137.13239	4.7
139.11180	9.6
143.08586	4.2
145.10178	30.3
147.11679	50.4
149.13254	40.1
157.10141	10.6
159.11661	28.1
161.09583	4.2
161.13269	43.4
163.14812	29.2
171.11731	5.5
172.95204	7.0
173.13187	19.9
175.14836	30.0
177.16324	33.8
187.14830	20.0
189.16382	77.0
190.96283	7.3
191.17989	11.8
199.14854	7.1
201.16350	38.3
203.17955	69.0
205.15913	4.6
207.17445	20.4
208.06567	4.3
213.16367	11.4
215.18010	26.4
217.15950	5.3
217.19464	6.6
219.17479	13.8
221.18980	7.2
227.17859	7.1
229.19659	5.1
231.17513	4.7
233.18974	6.3
235.16945	10.7
243.21071	8.5
249.18466	9.8
382.49704	4.9
391.33688	6.3
395.27817	4.7
397.31058	6.2
409.34656	49.5
425.34045	10.1
437.34341	30.5
455.35287	50.6
473.19977	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	455.3521
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
52.59692	4.4
55.05505	15.0
58.01014	4.3
62.07334	4.7
67.05495	18.2
69.07051	13.1
79.05482	6.9
81.07065	28.2
83.08615	10.6
91.05473	15.7
93.07048	29.4
95.04967	4.8
95.08606	61.1
97.10165	10.1
105.07008	20.8
107.08595	47.6
107.18963	4.6
109.06499	5.8
109.10151	42.5
119.08586	100.0
119.09441	6.5
121.10144	32.8
122.14449	4.6
123.11685	11.2
131.08539	8.9
133.10139	38.2
135.11687	31.7
145.10103	44.1
147.11670	23.8
149.13266	10.5
154.41043	5.2
159.11711	28.8
161.13248	14.5
163.07535	8.5
163.14827	22.7
171.08022	5.4
171.11618	8.1
173.13229	20.0
175.14848	14.2
177.16400	8.2
185.13229	8.8
187.14789	52.9
189.16385	19.5
191.17973	65.1
199.14908	6.0
201.16318	36.0
203.17952	26.8
205.19620	8.8
205.91449	5.3
209.21501	4.8
213.16457	6.0
217.19522	12.3
229.19563	8.6
233.15427	9.4
236.22046	5.4
247.16843	7.3
335.82477	5.8
391.33554	18.3
409.34668	27.2
437.34213	42.4
438.80548	5.9
455.35474	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	455.3515
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
52.49218	1.9
55.05499	8.2
55.77467	2.0
57.03423	1.9
57.07064	10.4
62.06076	7.3
64.29768	2.3
65.03924	2.1
67.05499	20.8
69.07068	25.9
70.31202	8.7
71.08627	4.4
75.43584	2.1
79.05489	11.4
79.36813	2.0
81.07055	36.3
83.04958	3.6
83.08625	6.6
85.06519	3.6
91.05484	8.1
93.07040	29.9
95.08605	100.0
97.10194	2.2
98.98454	2.6
104.44944	2.4
105.07019	28.0
107.08594	44.0
109.06545	3.2
109.10153	34.7
111.08083	20.6
117.06994	3.9
119.08578	39.8
121.10142	36.4
123.08054	4.2
123.11703	12.4
125.09629	7.6
131.08568	11.2
133.10133	28.2
135.11687	28.1
137.09616	6.9
137.13248	5.1
138.24869	2.2
139.11174	6.4
143.08632	5.5
145.10109	19.0
147.11684	21.6
149.09625	5.6
149.13252	14.8
151.11194	5.3
153.09102	4.1
153.12686	2.1
155.00922	1.9
157.10081	9.0
157.67139	2.1
159.11719	17.7
161.13228	17.9
163.14848	8.7
165.12756	5.3
171.11693	8.3
172.95308	2.9
173.13266	16.1
175.14830	9.8
177.12671	2.8
177.16446	5.9
183.11710	3.3
185.13249	8.4
187.14880	6.2
189.16383	17.4
190.96259	2.6
191.14307	2.5
191.17940	3.2
193.15855	5.7
197.13264	3.9
199.14841	5.9
201.16437	10.0
203.14252	2.3
203.17966	5.0
205.15880	7.1
207.17375	9.5
211.14853	4.3
213.16461	4.5
215.14453	2.5
215.17966	6.3
217.15895	8.6
217.19470	2.2
219.17424	16.2
227.17986	2.6
229.16020	2.8
231.17464	6.1
233.19032	4.6
243.17419	6.8
247.20598	5.4
255.21172	3.2
261.18542	13.0
271.20557	2.3
273.18491	3.0
273.22266	2.2
275.20035	3.1
285.22681	2.2
287.19965	4.4
289.21661	4.9
301.21353	3.0
314.27762	20.9
315.23288	5.1
355.26453	2.2
395.33157	2.3
397.30884	4.2
409.34573	9.6
419.32968	4.6
425.33759	5.0
437.34204	20.8
455.35223	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84041	3.1
55.05507	13.4
56.96540	4.9
57.03442	6.8
57.07077	8.9
61.02894	2.9
67.05506	13.4
69.07059	16.4
71.08636	5.8
71.60805	6.1
78.01577	2.9
79.05488	11.6
81.07054	27.7
83.08609	7.5
85.02842	4.7
85.10225	3.0
91.05491	10.1
93.07052	23.6
95.08604	49.8
96.99190	3.1
97.10171	3.6
105.07034	24.9
105.49262	3.2
107.08588	46.1
109.10117	22.5
111.08108	3.9
113.10786	2.9
117.07008	4.7
119.08566	35.8
121.10155	36.0
123.08086	3.3
123.11715	8.1
128.27521	3.2
131.08595	5.3
133.10121	26.7
134.85605	3.7
135.11694	16.6
137.13277	4.1
145.10115	13.2
147.11676	23.0
149.13239	21.6
154.94133	4.0
157.10173	6.3
159.11725	13.4
161.13240	16.1
163.11220	4.3
163.14827	20.4
171.11708	5.9
172.95270	38.3
173.13258	9.3
175.14856	26.7
177.16400	28.9
187.14761	18.2
189.16380	27.2
190.96283	28.3
191.17944	6.7
199.14809	3.9
201.16446	15.9
203.17946	78.2
205.15862	55.3
205.19482	4.2
207.17467	4.7
215.17998	8.2
219.17497	5.8
228.97858	12.5
229.01233	4.8
231.17581	4.8
232.83124	3.3
249.18535	11.5
267.56046	3.4
269.12378	12.7
286.04590	3.4
314.27631	26.9
335.19119	3.9
337.20282	7.3
391.33548	5.6
409.34674	100.0
410.35095	5.0
437.34116	19.0
455.35284	14.6
473.19775	30.8
474.20102	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.0
57.07067	3.3
65.03931	1.3
67.05490	9.5
67.57533	1.1
69.07069	7.9
69.36423	13.3
72.76122	1.4
79.05477	7.4
81.07049	17.0
83.08611	5.9
91.05469	5.2
91.60635	1.2
93.07040	12.8
95.08603	33.6
97.10162	2.7
101.66127	1.5
105.07018	11.9
107.08588	37.5
109.10152	16.9
111.08076	2.4
117.07001	3.0
119.08578	23.3
121.10136	31.6
123.08088	1.3
123.11717	6.6
131.08537	4.1
133.10129	19.3
135.08105	2.0
135.11693	11.1
137.13260	2.6
145.10098	14.0
147.11691	10.5
149.13249	8.5
153.09135	1.6
154.94127	1.7
157.10097	2.3
159.11671	7.9
161.13304	7.2
163.11171	10.3
163.14809	6.9
171.11697	2.4
172.95248	6.5
173.13263	2.9
174.71355	1.2
175.14815	19.0
177.16377	27.6
178.58142	1.5
185.13181	1.3
187.14833	13.1
189.16396	16.7
190.96280	5.5
191.17928	4.6
193.19495	1.5
199.14952	1.5
201.16376	5.2
203.17963	30.2
205.15869	100.0
205.19460	5.2
207.17374	3.7
213.16333	2.7
215.17943	4.1
219.17438	2.2
221.18953	1.3
228.97899	3.9
229.19592	1.4
231.17375	2.8
243.21005	1.6
245.19101	1.5
247.16985	1.3
249.18573	7.1
253.19568	1.4
255.21069	1.5
277.00873	1.3
285.25723	1.9
295.24200	4.0
313.25192	9.5
337.20605	1.3
362.19611	1.2
388.88449	1.4
391.33322	1.7
409.34625	33.3
437.34229	10.3
455.35281	10.8
473.19858	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	26.2
56.96586	5.1
57.07062	8.5
58.31420	4.4
61.75888	4.7
67.05500	41.7
69.07059	29.2
69.26719	50.7
79.05489	31.0
81.07061	73.1
83.08604	14.8
91.05464	27.4
93.07038	54.9
95.04968	5.2
95.08609	100.0
97.10179	8.0
98.21664	5.4
99.08089	16.3
100.47047	4.8
105.07031	80.2
107.08590	87.8
109.06495	6.7
109.10154	59.0
111.08084	61.5
115.14526	4.8
117.07018	8.2
119.08575	95.0
121.10129	65.7
123.11694	27.2
129.07048	8.4
131.08554	47.7
133.10118	77.1
135.11697	43.2
137.13315	7.1
139.11200	6.2
143.08565	10.7
145.10117	50.8
147.11684	98.7
149.13249	55.6
157.10159	20.7
159.11700	54.4
161.09677	6.4
161.13278	47.6
163.14809	21.4
171.11650	7.7
172.95251	12.0
173.13269	22.2
175.14839	34.8
177.16431	40.2
185.13297	5.7
187.14806	42.0
189.16377	66.8
190.96336	11.5
191.16235	4.6
191.17949	96.0
191.19583	7.4
199.14870	9.4
201.16383	95.9
203.17946	73.8
205.15846	10.7
205.19478	12.0
207.17387	11.2
215.17979	20.8
217.15918	6.4
217.19551	17.9
219.17523	23.8
228.97885	6.6
229.19540	5.6
231.17433	9.6
231.21136	5.7
241.19592	5.3
249.18488	11.8
261.18436	5.3
283.28271	5.5
339.20093	5.4
391.33405	16.0
397.30698	5.4
409.34634	77.8
437.34586	25.9
455.22015	15.7
455.35324	60.4
473.19571	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	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.6
57.07051	6.7
67.05505	29.9
69.03433	3.9
69.07075	30.3
69.79500	15.4
71.04980	4.8
79.05490	20.7
81.03397	2.4
81.07057	51.3
83.04959	8.9
83.08594	7.5
85.06522	2.8
91.05473	24.4
93.06480	2.7
93.07040	47.7
95.04950	8.6
95.08607	73.5
97.06505	2.6
97.10130	5.4
99.04409	3.5
103.05519	3.2
105.07030	55.9
107.04952	3.3
107.08595	63.1
109.06500	10.8
109.10148	21.1
109.87995	2.4
111.08051	8.0
117.07023	13.1
118.65382	2.2
119.08584	73.3
121.06491	4.8
121.10135	40.6
123.08028	8.0
123.11694	9.0
125.09588	4.1
128.06250	3.6
129.06964	9.4
130.07738	5.6
131.08563	39.2
133.06474	3.2
133.10132	34.4
135.08043	11.1
135.11687	28.7
135.39116	2.3
135.40186	2.1
137.05930	4.8
137.09607	3.3
137.13251	3.1
142.07741	3.9
143.08611	14.6
144.09279	3.4
145.10118	65.9
147.04395	3.7
147.08002	6.2
147.11693	29.8
149.09544	7.4
149.13234	25.2
151.07495	10.8
151.11093	4.0
155.08522	7.8
156.09384	12.3
157.10135	22.1
158.10791	5.7
159.08060	2.9
159.11690	49.0
161.09619	6.8
161.13260	22.8
163.11131	4.4
163.14818	24.2
165.12663	3.8
167.06982	3.3
169.10120	7.9
171.07965	3.7
171.11659	30.5
172.08710	3.9
173.09663	3.4
173.13249	28.1
175.11154	6.9
175.14812	32.7
177.12694	6.4
177.16377	55.9
179.08389	2.7
182.10912	3.4
183.11681	5.6
185.09637	2.7
185.13268	18.3
187.11142	10.0
187.14810	52.5
189.12791	11.0
189.16353	25.6
191.14217	4.5
193.12187	2.7
195.11584	4.4
197.13191	6.4
198.14018	3.0
199.11182	3.9
199.14737	17.7
201.12695	4.9
201.14833	3.2
201.16399	38.5
203.14279	5.7
203.17923	8.5
205.12181	5.4
205.15823	3.9
209.13257	4.0
211.14728	7.1
213.12776	5.4
213.16359	8.0
215.14288	7.4
215.17915	9.6
217.12318	4.0
217.15903	5.7
219.13774	3.9
219.17303	5.0
223.14989	4.2
225.12669	3.6
227.14180	4.3
227.17862	9.5
229.19460	3.6
231.13751	7.3
231.17378	2.8
233.18997	3.1
236.87547	2.4
245.15385	7.1
255.21019	2.8
259.17078	2.6
261.14856	2.6
261.18472	5.8
265.14340	19.5
275.19980	3.0
279.15921	6.4
281.17505	3.4
284.12753	3.2
293.20987	3.5
326.04172	3.1
373.28705	3.6
389.27982	5.0
391.29663	3.1
401.28244	5.8
407.29053	7.3
409.30472	4.4
409.35095	3.3
411.14099	6.5
419.29416	11.0
420.29742	3.0
437.29718	17.8
455.31320	100.0
456.31845	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.7
55.98061	3.5
56.96557	7.5
57.03430	4.9
57.07051	4.8
58.06460	2.9
58.92868	3.3
61.02908	4.6
67.05506	15.6
67.90741	3.4
69.03430	18.4
69.07069	13.6
70.06595	8.4
71.04993	4.8
71.08644	5.0
79.05483	14.7
81.03430	5.6
81.07062	36.0
81.74899	3.2
82.15559	3.3
82.60585	3.1
83.04990	7.7
83.08624	5.4
84.04515	5.8
85.02904	20.1
85.06547	13.4
86.09722	7.3
87.77975	3.4
91.05489	15.7
93.07056	25.0
95.04976	13.5
95.08627	29.1
97.02890	9.1
97.06532	16.0
97.10185	4.6
98.97588	4.7
99.04464	4.2
99.08072	3.9
100.11240	8.9
105.07045	23.6
107.04963	6.8
107.08593	34.4
109.02908	5.4
109.06538	10.6
109.10165	19.1
114.09174	7.2
116.98656	5.3
117.07025	3.3
119.08581	26.8
120.08144	4.5
121.06525	11.1
121.10132	21.8
123.08052	25.2
123.11735	8.1
125.09621	7.0
127.03903	7.4
130.05058	7.3
131.08583	14.1
133.10146	20.6
135.08057	32.6
135.11731	10.1
137.09613	16.4
139.11151	3.6
142.08698	5.9
143.08565	7.0
144.26030	3.5
145.10153	21.3
146.74673	3.7
147.07932	7.5
147.11681	15.8
149.01288	4.3
149.09639	15.2
157.10185	10.0
159.08072	4.1
159.11717	12.9
161.09634	6.6
161.13295	8.6
163.11192	13.1
165.09071	19.8
170.15466	11.0
171.11717	7.5
173.09608	6.1
173.13268	9.8
175.11185	7.4
175.14856	5.1
177.12753	4.7
182.15465	4.2
183.11633	3.8
187.14920	6.0
189.12766	3.9
189.16357	5.7
191.14420	5.4
193.12262	4.5
198.14977	5.2
199.14876	5.8
201.12799	7.9
207.13705	12.4
210.14906	5.7
215.14445	5.2
228.15993	5.4
229.52875	4.7
233.18985	8.8
243.08940	4.7
243.17177	4.2
245.10468	10.1
245.60632	4.1
257.19019	12.0
258.21924	4.4
263.20084	8.4
275.20078	43.3
285.10034	5.6
287.11676	4.4
289.05286	5.9
293.21207	26.6
295.42615	3.8
314.27982	5.7
357.18420	6.5
369.18777	10.1
411.19946	60.4
423.16357	4.1
455.18515	100.0
455.35886	13.4
456.19354	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	455.2175
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
53.03936	1.1
55.05500	0.8
56.96561	0.7
60.83882	0.8
67.05492	1.2
71.06063	0.9
71.06411	1.6
79.05483	1.2
81.07040	2.2
91.05456	1.1
93.07024	2.5
95.04977	5.0
95.08584	2.0
105.03388	100.0
106.03698	0.9
107.08593	1.7
109.10120	1.0
119.08585	2.0
121.10113	1.7
123.11710	0.8
131.04921	2.3
133.10155	2.4
137.88133	0.7
138.23015	0.8
161.13292	0.8
163.14734	0.7
190.12265	39.9
191.12474	0.8
218.11757	24.3
231.10179	1.0
292.98602	0.8
318.17142	1.7
437.34659	1.3
455.23938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
53.47853	1.6
55.01854	3.6
56.05029	3.5
56.96548	6.1
57.03429	4.6
61.02918	3.8
67.05485	5.1
69.03437	12.0
70.06586	11.5
71.04992	14.3
71.58923	2.8
73.02927	2.2
79.05473	7.1
81.03403	6.6
81.07054	10.1
82.06601	1.8
84.04510	2.1
84.08147	3.2
85.02895	22.0
85.06533	4.9
86.09704	2.7
91.03959	1.6
91.05463	6.2
93.07071	9.1
95.04946	2.1
95.08588	5.6
96.08109	6.0
97.02885	10.0
97.06516	5.9
98.97591	6.0
105.07011	5.0
107.04952	2.3
107.08584	5.4
109.02885	4.2
109.10144	4.2
110.06035	3.7
111.08080	2.2
113.05997	2.9
116.98604	5.5
117.07027	2.7
119.08546	9.5
120.08046	2.0
121.10147	3.3
124.07587	14.6
127.03909	4.6
129.07019	2.3
133.10074	2.6
133.32990	1.6
134.99582	3.4
135.11629	2.4
137.05876	2.8
138.05502	4.0
138.09102	5.3
143.08574	1.9
146.06049	2.4
146.99605	3.1
147.08017	2.4
149.07356	2.1
152.07039	3.3
157.10150	2.4
157.24777	1.6
160.07584	4.7
161.01213	2.1
161.13292	2.8
165.00719	1.7
167.07063	3.2
168.06497	1.7
170.08130	11.1
170.09604	3.9
175.14822	3.3
177.00677	2.6
185.13181	4.8
188.10677	11.8
193.04921	5.7
197.08293	2.1
201.10280	1.8
203.14336	2.8
211.08612	1.6
212.10747	10.9
214.08789	3.3
214.10815	3.4
216.24545	1.7
221.15324	8.7
222.59732	1.8
227.08168	10.3
228.08878	34.1
229.09811	9.4
229.13460	8.5
230.11813	2.4
237.02863	3.8
239.11768	2.4
239.16444	15.2
240.10120	4.5
242.10550	11.5
243.11285	12.4
244.12109	11.3
247.14288	1.9
248.12845	2.2
257.12833	100.0
257.17023	12.8
258.13312	2.6
275.11124	1.3
275.13873	39.1
275.18433	4.0
287.07822	3.6
293.11716	5.2
293.14923	32.0
295.11862	2.6
382.78922	1.7
455.17654	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	455.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05493	1.5
55.61648	1.3
56.96569	1.8
57.03424	3.4
61.02917	3.8
67.05495	3.3
67.26082	1.3
68.05022	1.3
69.03429	10.7
70.06578	6.0
70.72298	5.2
71.35111	1.4
73.02890	1.5
81.03420	7.8
82.06568	3.5
85.02901	22.5
85.68739	1.3
86.09704	3.1
88.17354	1.2
91.05498	1.8
91.83897	1.3
93.03406	2.2
93.07016	2.6
94.02930	7.9
95.04981	4.1
96.04491	21.4
96.08085	3.2
96.18400	1.5
97.02906	9.7
98.06081	2.6
98.97559	1.9
109.02862	2.6
110.06049	19.0
111.04443	1.3
112.03966	36.4
112.07622	2.5
116.07018	1.6
116.98629	1.9
120.08109	2.0
121.06509	1.4
122.06029	4.1
123.11696	1.4
124.07595	17.2
126.05511	1.7
127.03894	4.5
130.11560	1.5
131.04977	1.1
133.10139	1.7
134.99675	2.7
136.07545	1.6
138.05527	15.4
138.09138	52.1
140.07068	42.0
140.08005	1.4
143.08485	1.7
145.05006	2.9
145.08873	2.0
145.10094	1.6
156.06557	100.0
160.07584	3.4
160.11235	4.2
160.90950	1.5
161.09578	1.3
164.07071	1.5
170.09642	2.4
173.08359	2.8
188.10703	46.3
197.08325	2.2
202.12352	2.8
205.13316	3.4
211.08704	2.5
212.10690	10.7
214.08688	1.4
214.10765	1.6
214.12524	1.7
215.11848	1.5
216.10263	11.5
227.08208	7.9
228.08829	20.5
229.09645	9.7
229.13298	7.2
229.15382	1.5
230.11687	5.6
232.13519	2.2
233.12845	60.3
237.02681	1.8
239.11678	3.8
240.10170	2.2
242.10362	7.8
243.11221	6.6
244.12152	8.4
246.11230	3.9
257.12854	73.7
258.11163	3.4
258.13550	2.2
268.99750	1.4
275.11337	1.8
275.13913	28.6
276.12143	2.5
291.13345	3.3
293.14975	50.8
439.87262	1.4
455.14896	25.1
462.86813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05512	1.0
56.96542	1.8
57.03433	1.8
59.04997	0.8
61.02928	2.1
67.05505	1.6
69.03419	9.0
69.07031	1.0
70.06587	4.1
71.04993	1.9
71.21642	2.0
72.08143	1.6
73.02917	2.0
79.05491	2.2
79.70679	1.0
81.02985	1.1
81.03427	2.6
81.07054	1.1
82.27483	1.0
84.08148	2.2
85.02911	13.4
86.09728	1.4
87.04465	1.4
87.62482	0.9
93.07064	2.2
95.04986	1.3
96.04522	1.2
96.08130	2.1
97.02899	5.3
98.97585	2.2
99.04465	2.5
102.02667	0.9
102.03767	1.3
105.06988	1.3
107.08624	1.1
109.02874	1.6
110.06039	3.9
116.98652	1.3
124.07603	10.8
126.05512	1.4
127.03917	2.4
129.10283	1.0
134.99721	1.1
136.07631	1.1
138.05518	4.1
138.09105	4.5
140.07089	1.4
145.04929	1.5
149.07431	1.6
152.07047	1.9
160.07570	3.8
160.11186	1.4
161.01184	1.1
161.08003	1.4
170.08151	3.3
170.09653	3.2
174.09117	1.0
184.07539	1.1
188.10727	12.0
197.08391	2.0
199.08583	1.8
200.09439	2.2
201.06650	1.2
202.12225	1.9
203.07614	1.0
211.08693	1.4
211.12349	1.0
212.10667	9.8
213.06734	1.1
213.12321	1.5
214.08875	1.4
214.10849	2.0
215.08215	1.5
217.10884	1.7
224.09605	1.2
227.08141	10.6
228.08881	33.0
229.09724	8.4
229.13342	9.2
230.11752	2.1
233.10498	1.0
233.12840	1.4
237.02852	1.4
239.11865	3.0
240.10260	3.8
240.12488	1.1
241.09781	2.8
242.10535	9.6
243.11295	11.6
244.12039	11.1
245.12946	1.0
248.12749	1.2
257.12851	100.0
258.10913	1.5
258.13437	1.3
275.11310	1.6
275.13901	39.9
276.12286	1.0
287.08081	1.5
291.13364	1.9
293.11807	7.7
293.14957	34.3
329.09213	1.1
337.87054	1.0
397.14847	1.2
437.19312	1.1
455.16992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01870	1.2
55.05512	10.1
56.05819	0.8
56.96552	1.4
57.03417	2.7
57.07074	2.0
59.04990	0.7
61.02926	1.2
61.78918	0.6
67.05507	4.3
69.03422	7.7
69.07071	3.7
70.06583	2.2
70.96487	1.2
70.96790	0.9
71.04981	2.0
72.08128	0.9
73.02909	0.7
76.67334	0.7
79.05481	4.3
79.40467	0.7
81.03419	6.8
81.07057	9.8
82.06580	1.0
83.04980	8.4
83.08598	3.7
84.08127	0.7
85.02903	32.2
85.06547	4.0
86.09692	1.6
87.00816	5.4
87.04466	3.1
89.06024	6.6
91.05471	4.4
93.07041	5.6
95.04978	4.7
95.08598	7.2
97.02888	5.1
97.06525	5.2
99.04441	2.6
100.07581	0.9
100.11250	8.4
101.02338	0.7
101.11578	2.5
105.01865	4.6
105.07032	10.0
105.66552	0.7
107.04957	1.4
107.08592	10.1
109.02876	5.3
109.06522	18.9
109.10149	5.5
111.04433	3.2
111.08074	5.6
116.98660	0.8
117.07014	2.4
119.08572	13.3
120.08052	0.8
121.06487	1.9
121.10144	17.7
122.07315	0.7
123.08057	7.9
123.11697	20.6
125.09624	1.4
127.03912	10.5
128.06175	0.8
128.07060	0.9
129.09108	1.2
131.08543	2.7
133.06509	1.4
133.08571	1.8
133.10143	2.8
135.08032	2.3
135.11668	3.2
137.09615	30.0
137.13248	2.2
138.09859	0.8
145.04951	2.0
145.10112	2.6
147.08047	3.1
147.11688	17.0
149.09621	5.9
151.07542	2.4
151.11281	1.2
152.85205	0.7
156.09302	1.6
159.02888	1.1
159.08051	1.1
159.11749	1.1
161.09605	0.8
161.13290	6.6
163.11172	3.3
165.09111	2.0
165.12750	100.0
166.13058	2.2
171.11736	3.5
173.09674	0.9
173.13232	0.8
174.10390	3.5
179.14319	6.5
182.15414	2.7
183.15756	1.6
189.12743	21.6
190.13240	0.8
197.29948	0.8
199.18170	0.7
207.13789	26.4
209.16454	0.9
210.14928	2.7
210.16714	0.8
211.15262	1.3
212.15326	1.0
213.03970	1.3
214.18188	1.0
215.14322	1.2
231.04967	2.0
251.09631	0.8
327.48123	0.8
379.74506	1.0
391.31717	1.5
411.19614	2.1
413.17578	1.5
429.17740	1.2
445.76846	0.9
445.84555	1.3
454.77713	4.6
454.84189	1.7
455.18799	7.6
455.28061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01870	1.2
55.05512	10.1
56.05819	0.8
56.96552	1.4
57.03417	2.7
57.07074	2.0
59.04990	0.7
61.02926	1.2
61.78918	0.6
67.05507	4.3
69.03422	7.7
69.07071	3.7
70.06583	2.2
70.96487	1.2
70.96790	0.9
71.04981	2.0
72.08128	0.9
73.02909	0.7
76.67334	0.7
79.05481	4.3
79.40467	0.7
81.03419	6.8
81.07057	9.8
82.06580	1.0
83.04980	8.4
83.08598	3.7
84.08127	0.7
85.02903	32.2
85.06547	4.0
86.09692	1.6
87.00816	5.4
87.04466	3.1
89.06024	6.6
91.05471	4.4
93.07041	5.6
95.04978	4.7
95.08598	7.2
97.02888	5.1
97.06525	5.2
99.04441	2.6
100.07581	0.9
100.11250	8.4
101.02338	0.7
101.11578	2.5
105.01865	4.6
105.07032	10.0
105.66552	0.7
107.04957	1.4
107.08592	10.1
109.02876	5.3
109.06522	18.9
109.10149	5.5
111.04433	3.2
111.08074	5.6
116.98660	0.8
117.07014	2.4
119.08572	13.3
120.08052	0.8
121.06487	1.9
121.10144	17.7
122.07315	0.7
123.08057	7.9
123.11697	20.6
125.09624	1.4
127.03912	10.5
128.06175	0.8
128.07060	0.9
129.09108	1.2
131.08543	2.7
133.06509	1.4
133.08571	1.8
133.10143	2.8
135.08032	2.3
135.11668	3.2
137.09615	30.0
137.13248	2.2
138.09859	0.8
145.04951	2.0
145.10112	2.6
147.08047	3.1
147.11688	17.0
149.09621	5.9
151.07542	2.4
151.11281	1.2
152.85205	0.7
156.09302	1.6
159.02888	1.1
159.08051	1.1
159.11749	1.1
161.09605	0.8
161.13290	6.6
163.11172	3.3
165.09111	2.0
165.12750	100.0
166.13058	2.2
171.11736	3.5
173.09674	0.9
173.13232	0.8
174.10390	3.5
179.14319	6.5
182.15414	2.7
183.15756	1.6
189.12743	21.6
190.13240	0.8
197.29948	0.8
199.18170	0.7
207.13789	26.4
209.16454	0.9
210.14928	2.7
210.16714	0.8
211.15262	1.3
212.15326	1.0
213.03970	1.3
214.18188	1.0
215.14322	1.2
231.04967	2.0
251.09631	0.8
327.48123	0.8
379.74506	1.0
391.31717	1.5
411.19614	2.1
413.17578	1.5
429.17740	1.2
445.76846	0.9
445.84555	1.3
454.77713	4.6
454.84189	1.7
455.18799	7.6
455.28061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01866	4.9
55.05502	1.5
56.96570	0.9
57.03432	3.7
58.04941	0.7
61.02923	2.8
67.05500	2.9
68.99780	2.9
69.03426	37.0
69.07056	1.3
71.04983	3.9
73.02924	4.6
79.05477	2.8
81.03418	26.6
81.03912	1.3
81.07057	2.6
83.01382	0.8
83.04978	1.8
83.08612	0.9
85.02902	33.2
86.09708	1.3
87.00820	16.8
91.03959	1.9
91.05473	17.6
93.07028	3.5
95.04958	4.8
95.08618	4.2
97.02883	14.1
97.06556	1.1
97.52283	0.8
98.75806	0.9
98.97570	1.4
99.04446	8.3
103.05482	1.2
105.01863	8.5
105.07030	8.3
107.08598	4.1
109.02883	19.5
109.06512	21.4
109.10159	1.8
115.03927	1.0
115.05475	1.6
116.06242	1.3
117.01862	3.7
117.06995	2.2
119.08581	22.5
121.06501	1.5
121.10146	2.8
123.08062	7.2
126.09157	1.0
127.03913	27.5
128.06239	2.0
129.01845	2.8
129.06992	5.8
130.07791	1.2
131.08562	41.4
133.06490	5.8
133.07385	1.0
133.10118	2.6
135.04366	0.8
135.08046	27.5
141.06905	1.5
142.12985	0.9
143.08580	3.3
145.04959	9.0
145.10123	5.0
147.02898	1.4
147.08040	45.7
147.11691	3.3
149.09599	5.3
150.10388	1.7
151.07536	96.3
152.07866	1.6
156.09369	8.2
159.02885	12.1
159.07961	0.9
161.09624	3.2
161.13287	1.4
163.11153	6.1
165.12711	1.7
169.10149	0.8
171.11703	16.6
173.13289	1.5
176.11992	1.1
189.12737	100.0
189.38123	0.9
190.13089	2.4
191.14299	31.3
192.14575	1.2
205.12259	1.2
207.06535	12.9
207.13812	17.7
219.32053	0.9
231.05029	3.2
231.14998	1.8
249.16011	2.8
269.10574	0.9
290.23254	0.9
321.85117	1.0
357.29648	0.9
411.15652	1.2
433.91708	0.9
455.15100	3.8
455.22119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01861	3.2
55.05506	3.4
56.96544	5.1
57.03420	3.8
59.04980	2.3
61.02916	1.9
67.05491	5.4
68.99786	1.6
69.03126	1.4
69.03426	13.7
69.07057	3.4
69.47155	10.7
70.06577	6.2
71.04967	6.2
72.08115	2.1
73.02917	1.9
79.05465	2.9
81.02974	1.9
81.03413	14.2
81.07036	5.3
83.04961	3.4
83.08603	1.6
84.08135	2.3
85.02417	1.8
85.02902	20.1
85.06536	3.2
86.09699	5.7
87.00813	7.7
87.04462	1.9
88.02366	1.4
91.05466	6.3
93.07018	5.8
95.04956	5.0
95.08581	5.9
96.04471	1.8
97.02905	13.0
97.06502	1.9
98.02185	3.0
98.97569	2.7
99.04457	6.6
105.01862	3.8
105.07039	13.7
107.04956	2.5
107.08606	7.7
109.02886	16.4
109.06514	19.0
109.10153	2.5
110.05999	3.0
111.04437	2.9
111.08081	1.8
112.03926	3.1
113.02320	1.7
116.98607	3.7
117.07003	3.4
119.04903	2.0
119.08577	12.8
120.08106	2.4
121.06487	2.3
121.10110	6.3
123.08067	14.4
127.03918	33.9
129.01837	2.6
129.06993	3.3
131.08531	7.3
131.67365	1.3
133.06438	2.2
133.10121	7.6
134.99606	1.5
135.04366	2.0
135.08008	2.0
135.11670	4.7
137.09660	2.5
138.09137	4.7
140.07045	4.5
143.08572	3.7
145.04939	3.9
145.10089	5.5
147.08063	3.4
147.11696	15.1
149.01201	2.4
149.09628	10.1
151.07506	5.0
156.06554	9.6
156.09349	3.1
157.10100	2.2
159.07977	1.9
159.11696	5.2
160.08797	1.8
161.01225	1.5
161.09627	3.4
161.13257	11.7
163.03928	1.6
163.11119	2.9
165.12692	2.7
171.11636	6.6
173.04466	2.9
173.09618	2.3
173.13155	2.0
174.10382	3.5
175.11128	2.0
177.00706	1.8
179.14352	2.0
189.12749	29.2
191.02261	2.2
191.14365	3.4
193.05840	2.8
201.12767	2.0
207.06543	5.1
207.13799	40.3
208.14117	1.9
211.06889	58.7
229.12238	1.6
231.04945	3.9
251.09567	2.7
257.12964	1.8
269.10431	2.9
273.15076	1.9
278.14774	10.3
287.11859	1.8
293.15009	6.8
306.14035	3.2
309.10071	2.2
315.15680	2.1
324.15274	34.2
371.76257	1.7
390.80844	1.4
413.14981	8.0
437.17834	3.5
455.19263	100.0
456.19400	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05514	0.9
56.96568	2.3
57.89127	0.5
67.05500	1.6
69.03460	0.7
69.07069	0.6
71.60149	0.7
81.07070	1.6
85.02897	1.2
91.05489	1.4
93.07048	1.4
95.08620	1.7
97.06537	1.4
98.97588	0.7
100.11275	0.8
105.07025	1.1
107.08583	1.4
109.06550	0.7
109.10159	0.9
119.08615	1.0
121.10199	1.2
125.95676	0.5
131.08589	0.7
133.10132	0.7
135.08127	1.7
137.09656	0.6
137.21091	0.6
145.10184	0.6
149.01225	1.0
149.09666	0.9
159.11702	0.7
165.09157	0.7
177.00769	0.8
207.13583	7.9
225.13358	1.0
235.13214	1.2
245.10506	0.8
251.09415	3.0
267.14636	1.0
269.10593	5.9
271.04364	0.9
275.20267	1.4
286.71603	0.6
351.17944	2.0
357.18564	1.1
369.18799	12.9
411.19891	54.8
412.20444	1.6
413.15024	1.2
455.19019	100.0
456.19412	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83235	0.4
54.74805	0.4
55.01856	0.5
55.05511	1.1
56.96555	1.0
67.05493	1.7
67.39324	0.4
69.03429	2.1
69.07063	1.4
69.32632	3.3
69.33057	1.0
70.06580	0.9
70.38943	0.4
71.04970	0.6
73.02913	0.5
79.05496	2.0
81.03405	1.7
81.07037	3.6
81.07438	0.5
83.05017	0.5
83.08617	0.9
85.02901	2.8
86.09715	1.0
87.00807	0.5
89.17247	0.4
91.05470	3.3
93.07048	3.5
95.04947	1.3
95.08620	2.6
97.02911	0.9
97.06538	1.1
97.17614	0.4
98.97563	0.6
100.11219	0.7
105.07013	2.6
107.04991	0.4
107.08581	2.3
109.02884	0.8
109.06532	0.8
109.10160	1.5
111.04481	0.5
117.07009	1.1
119.01877	0.7
119.04944	0.4
119.08576	2.0
121.06502	0.9
121.10140	2.2
123.04378	0.5
123.08039	0.5
123.11711	0.8
127.03941	1.7
129.07014	1.0
130.59653	0.4
131.08572	2.5
133.10120	0.9
135.08037	0.9
135.11621	0.6
137.05988	0.6
137.09579	0.5
141.07036	0.7
142.07796	1.0
143.08542	1.1
145.04904	0.6
145.10135	2.5
147.08012	0.9
147.11670	1.9
149.09636	0.9
149.13283	0.8
151.07538	1.4
155.08543	1.1
157.03569	0.8
157.10138	1.9
159.11697	0.8
161.02931	1.2
161.13264	1.1
163.11122	0.5
165.09111	1.4
169.10167	0.7
171.11638	1.5
173.13249	0.8
175.11143	1.7
177.24353	0.4
181.10143	0.6
183.11772	1.1
185.04274	0.7
187.11330	0.4
189.12755	2.3
191.14272	1.1
201.12671	0.6
203.04027	0.6
207.13771	1.4
227.05307	1.0
229.12386	0.7
255.23677	0.5
279.10516	1.9
285.09915	0.8
289.05185	2.2
324.45273	0.6
369.18817	7.2
387.18594	1.2
393.18741	1.6
397.07465	0.5
406.40405	0.5
409.86838	0.5
411.19870	25.7
412.20096	1.0
437.17801	1.7
455.18826	100.0
456.19083	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1525
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
56.96553	4.7
62.04562	0.7
63.09729	0.7
68.68929	0.7
69.88087	4.6
70.06587	5.7
72.08155	1.7
81.04559	0.7
84.04491	1.2
84.08148	2.3
84.96036	1.2
85.02911	1.6
86.09691	2.0
89.98078	1.1
98.97577	3.4
110.07201	1.2
113.02123	0.9
116.98598	4.2
120.08150	0.9
128.98621	2.4
129.10252	1.3
134.99673	2.7
146.99654	1.6
147.04390	1.3
161.01227	0.8
161.02982	0.9
161.05890	1.0
163.03926	2.5
165.00652	0.9
173.02992	0.8
185.04251	1.3
201.00725	1.0
213.12259	1.8
219.01875	2.3
237.02875	5.5
248.92552	0.8
269.03299	1.3
273.37732	0.9
287.04489	1.1
347.04553	1.1
395.06308	1.8
413.07706	4.2
425.14178	12.6
455.15253	100.0
456.15637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05500	5.2
58.99592	11.4
60.60314	2.1
61.01145	2.3
62.14173	2.0
65.45919	2.3
67.05501	11.5
69.07048	3.5
69.50089	9.0
69.50507	10.0
73.02944	3.4
79.05482	10.8
81.07052	30.3
85.01113	4.2
86.99036	10.2
87.00843	2.5
89.00602	2.4
89.62490	2.3
91.05473	62.4
93.07029	14.5
95.04946	4.6
95.08610	12.5
97.01111	4.1
97.06526	2.9
103.05498	3.0
104.49414	2.3
105.07028	45.6
107.04950	4.8
107.08566	8.7
109.10110	2.6
115.05431	5.5
117.00079	7.0
117.07030	24.7
119.04892	2.7
119.08568	16.2
121.10113	6.1
123.02657	2.8
128.06248	8.4
129.01868	2.7
129.07010	24.5
130.07779	4.6
131.08546	38.1
132.08905	2.3
133.01280	4.8
133.06514	4.1
133.10124	6.3
135.02618	3.9
135.11673	3.8
141.06976	16.3
142.07773	38.4
143.08568	30.3
144.09389	4.0
145.06586	4.4
145.10129	44.5
147.02658	11.0
147.08060	5.2
147.11682	41.3
149.04193	4.8
149.13252	3.4
153.06934	6.6
155.08562	38.5
156.09325	7.9
157.10123	88.8
159.08041	6.9
159.11697	14.6
161.04230	5.6
163.05780	3.2
166.07744	6.1
167.08638	5.1
168.09363	11.9
169.10138	12.4
171.08083	4.7
171.11665	23.1
173.04192	7.4
173.09618	9.1
173.13293	19.6
175.02371	21.1
175.05753	4.8
175.09753	4.0
175.11200	47.8
181.10101	15.3
181.20662	2.4
182.10861	6.4
183.11670	38.6
184.29416	3.0
185.09586	4.6
185.13206	6.0
186.04967	3.6
187.05724	7.7
187.11176	6.1
189.07295	7.5
191.17932	8.7
199.11180	17.6
200.06535	4.7
201.12759	29.8
201.16365	3.7
203.08856	5.3
203.17851	4.8
205.10420	10.9
211.11177	13.4
215.08957	27.0
217.12285	4.3
219.17386	5.6
229.12187	16.5
233.09935	15.6
247.13367	6.7
251.11060	7.0
261.09409	31.8
279.07471	5.1
279.10495	100.0
279.46930	2.5
280.10748	2.7
323.13052	7.7
351.12759	12.1
369.13620	4.0
419.86026	2.8
455.13608	5.2
455.35278	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75571	0.7
70.06562	1.5
70.39555	3.1
76.07967	0.7
87.87500	0.7
112.89613	14.8
131.68144	0.7
172.97501	0.8
180.53038	0.7
243.96121	0.8
245.04910	1.0
332.43890	0.8
349.98364	0.7
455.11627	100.0
456.11929	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.9
61.73634	0.9
69.03418	1.6
69.55328	6.1
69.55740	1.6
70.06577	1.8
71.37759	0.9
73.52431	0.8
84.08118	1.0
85.02893	1.6
93.80634	0.9
97.02877	1.1
98.20740	1.5
98.31324	0.8
98.97536	0.9
109.02917	1.2
116.98655	1.2
126.88413	0.9
127.03921	1.0
134.99652	0.9
135.04474	1.0
146.99631	1.2
160.90137	1.0
163.03943	5.2
167.07005	5.3
179.03447	1.5
206.05505	8.1
207.06255	9.8
211.75005	0.8
225.06102	1.1
227.05298	3.2
232.06194	0.8
237.02777	1.9
243.07126	1.1
267.07220	1.4
269.09360	0.9
271.04248	3.6
294.09320	2.5
314.48282	0.9
351.10034	1.1
369.11444	6.3
411.12616	34.9
412.12476	1.2
455.11551	100.0
455.20526	4.5
456.12079	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
51.51146	0.5
52.44641	0.5
54.50957	0.5
55.05511	3.0
57.03439	3.9
57.07073	21.8
60.01817	0.5
62.06087	22.2
67.05502	3.5
69.07059	3.5
69.91762	2.8
71.08630	14.0
79.05477	1.1
81.07053	6.0
83.08627	4.2
85.09695	0.9
85.10178	8.7
89.06027	0.6
90.47070	0.5
95.08603	9.0
97.10161	2.3
98.21394	0.8
98.98466	5.1
103.07539	0.7
109.10159	3.1
111.07954	0.6
111.60504	0.6
114.04752	0.6
123.11713	1.2
124.01595	1.1
124.84479	0.5
137.13228	0.8
142.02580	0.6
142.58899	0.5
155.01031	5.7
198.05330	1.1
216.06293	2.7
239.23744	1.7
257.24747	0.7
282.27933	10.7
295.65698	0.6
313.27350	100.0
314.27701	2.2
349.15802	0.9
393.23999	6.7
423.99149	0.6
436.28244	2.5
454.28613	1.2
458.60440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05508	3.4
57.03176	0.7
57.03439	8.9
57.07076	27.9
62.06083	0.9
67.05202	0.7
67.05506	5.9
69.07069	5.2
71.08629	18.7
71.59561	0.5
71.59974	0.8
73.59148	0.5
81.07059	8.5
83.04992	0.8
83.08628	5.6
85.10184	10.9
89.06021	2.2
93.07067	0.7
95.08608	9.8
97.10167	2.7
98.98476	0.6
103.07587	0.9
109.10152	3.9
123.11713	1.4
137.13304	0.6
155.00966	0.6
172.95242	1.8
190.96246	1.4
194.13855	0.5
239.23749	1.8
257.24664	1.5
282.24921	1.0
282.27927	14.2
298.27261	0.6
313.27365	100.0
314.27692	3.6
425.78424	0.6
437.12747	0.7
473.19669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01876	3.8
55.05509	16.1
56.96547	2.3
57.07071	5.0
65.03937	2.0
67.05505	28.9
69.03416	6.9
69.07068	16.5
70.06582	2.6
70.72181	6.5
71.05006	2.5
79.05498	30.6
81.03458	3.2
81.07056	59.5
83.04989	4.2
83.08610	7.7
86.09715	2.0
91.05476	33.6
93.07040	55.6
95.04954	5.4
95.08608	82.4
95.09231	3.9
97.06522	4.8
97.10176	4.8
98.97580	2.2
100.07652	2.7
100.11266	9.8
103.05479	3.6
105.07029	78.3
107.08598	60.8
109.06502	6.9
109.10161	39.3
111.04486	2.6
111.08093	13.8
115.05426	5.6
117.07023	17.0
119.08574	62.6
121.06518	6.3
121.10139	40.8
123.08091	3.3
123.11705	12.0
125.09646	2.1
128.06218	4.9
129.07024	11.0
130.07854	2.9
131.04936	2.8
131.08563	40.2
133.06503	3.0
133.10124	36.5
135.08054	5.7
135.11696	24.5
137.06015	2.7
137.09592	4.7
137.13284	2.8
139.11200	3.5
141.07027	5.2
142.07779	8.1
143.08575	24.5
144.09343	4.9
145.06485	2.2
145.10127	56.5
147.04366	2.3
147.08075	6.5
147.11685	35.5
149.09595	2.9
149.13263	30.7
151.11154	2.6
154.07640	2.1
155.08554	13.8
156.09352	5.7
157.10135	32.4
159.08067	3.6
159.11696	53.6
160.12520	2.0
161.01167	2.5
161.09636	5.1
161.13252	27.2
163.11200	4.8
163.14847	7.4
165.12698	3.4
167.08548	4.8
168.09332	4.1
169.10121	16.2
170.10860	3.1
171.11705	19.9
173.09612	5.1
173.13264	26.1
175.11208	8.0
175.14822	13.8
177.12778	3.0
177.16391	14.3
181.10182	6.1
182.10907	4.0
182.15396	5.2
183.11652	14.6
185.13251	19.0
187.11258	4.1
187.14819	27.3
189.12733	7.4
189.16376	29.3
191.10760	3.5
191.14278	2.6
191.17978	2.7
193.10510	2.1
193.12294	6.9
195.11731	5.6
195.17462	2.9
197.13223	10.8
199.11176	2.7
199.14801	16.6
201.12708	3.5
201.16377	20.4
203.14322	7.7
203.17967	7.2
205.15909	10.7
207.13875	2.8
207.17403	13.9
209.13297	6.0
209.16475	2.3
210.14903	5.6
211.14888	13.7
213.12798	3.1
213.16428	13.8
215.14238	6.0
215.18011	4.4
217.15906	6.0
219.11765	2.5
219.13870	5.0
219.17448	5.9
223.14677	4.3
225.16391	5.8
227.14340	5.7
227.17934	5.8
229.15889	12.0
229.19527	5.0
231.17342	4.8
233.15424	6.7
237.16412	4.4
239.14275	2.6
239.17966	3.9
241.19492	3.2
243.17462	3.3
245.15457	4.8
247.16959	10.4
249.16177	2.4
253.19528	3.3
257.19046	2.7
259.17075	4.3
259.20389	3.5
267.17651	3.2
267.21112	3.8
271.20712	2.6
273.18439	6.4
281.19009	3.2
287.05637	2.6
287.20041	4.9
299.20029	3.9
313.21606	4.1
335.02979	3.3
377.28534	3.2
395.29483	5.7
405.31479	5.5
407.32794	3.1
409.22385	2.7
417.31369	11.4
423.32602	9.4
435.32657	47.3
453.33679	100.0
454.34308	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.02350	1.9
51.33932	1.1
53.03941	1.8
55.05509	19.6
55.19262	1.2
55.68229	1.0
56.96558	1.5
57.03422	2.1
57.07062	3.5
63.95332	1.2
65.03922	1.2
67.05161	2.1
67.05505	30.2
69.03416	1.8
69.06705	1.8
69.07066	20.1
71.04979	1.1
71.21176	2.8
79.05491	20.9
81.03394	1.4
81.07057	54.4
82.07384	1.3
83.04952	1.1
83.08612	8.0
85.06551	1.5
87.04300	1.1
90.80281	1.1
91.05470	18.9
93.07041	52.6
93.07624	2.7
95.04976	3.4
95.08606	86.1
97.06534	2.7
97.10170	4.6
97.28139	1.0
100.11246	4.0
102.38419	1.2
103.05461	1.7
105.07024	53.1
107.04964	1.4
107.08594	62.9
109.06516	4.1
109.10155	73.8
111.04364	1.5
111.08070	7.5
111.11689	2.2
115.05421	1.4
117.07024	9.5
119.08582	66.2
119.09444	3.2
121.06539	1.4
121.10141	54.3
123.08087	5.6
123.11710	16.6
125.09605	2.8
127.08669	1.3
129.07001	3.0
130.07744	1.5
131.08569	23.7
133.06555	1.4
133.10127	51.1
135.08073	2.6
135.11696	30.5
137.09605	1.8
137.13252	4.0
139.07536	2.6
141.11427	1.6
142.07784	2.4
143.08572	13.2
144.09312	3.8
145.10118	57.4
146.10651	1.2
147.08023	1.5
147.11685	47.8
148.12076	2.3
149.09631	3.1
149.13257	21.9
151.14861	2.8
155.08487	2.0
156.09334	4.1
157.10133	20.3
158.10890	3.7
159.08049	1.6
159.11690	54.0
161.09605	4.3
161.13251	37.1
163.11192	2.5
163.14804	16.3
165.09184	1.6
169.08736	1.6
169.10120	5.4
170.10860	3.6
170.36415	1.3
171.11697	24.0
172.12415	2.0
173.13268	39.4
175.11214	2.6
175.14809	23.3
177.12784	3.3
177.16373	14.0
181.09995	1.2
182.10818	1.7
182.15405	5.0
183.11673	8.1
185.13272	15.7
187.11218	1.7
187.14822	36.2
187.16420	2.4
189.12804	3.3
189.16376	28.3
191.14317	4.6
191.17947	8.2
193.10281	1.4
193.12149	1.6
195.11729	2.1
197.13234	6.5
199.14835	13.2
200.15085	1.8
201.16377	38.1
203.10654	1.8
203.14333	4.0
203.17950	36.8
203.19716	2.4
205.12207	3.9
205.15913	8.8
205.19553	2.6
207.06593	1.6
207.10220	2.4
207.13834	2.9
209.13348	2.1
210.14867	4.8
211.14778	6.3
213.16379	9.2
215.10629	1.2
215.14421	2.8
215.17947	20.8
217.12263	3.0
217.15866	3.5
217.19530	14.4
219.13777	6.5
219.17499	2.7
221.15413	2.7
223.14684	1.6
225.16389	2.9
227.17915	6.2
229.15855	2.2
229.19508	4.5
231.13835	6.8
231.17418	2.8
233.15350	19.3
239.18007	3.4
241.19574	3.5
243.21075	6.8
245.15451	4.5
245.19049	1.8
247.16943	10.6
253.19548	1.7
255.21127	1.9
257.15460	3.1
259.17014	2.6
259.20560	1.9
261.10141	1.4
261.14896	2.0
267.21207	2.5
269.22763	1.5
271.16919	2.3
271.20593	1.4
273.18591	1.3
275.16391	1.4
281.22516	1.4
285.18640	2.2
287.19965	2.3
297.18195	1.3
299.20038	2.5
301.17920	1.8
301.21530	1.4
303.19601	2.3
315.19617	1.7
323.27335	2.4
335.02850	1.5
343.22610	2.1
383.25873	1.6
389.32001	5.3
395.29315	5.1
407.33148	18.1
408.33719	1.9
417.31299	1.8
423.32785	2.3
425.34229	1.8
435.32626	24.7
444.83142	1.6
453.33646	100.0
454.34036	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04169	1.6
53.03924	2.3
55.05518	16.9
56.50800	1.9
56.96564	3.8
57.07074	4.6
67.05507	33.4
69.03014	1.5
69.03419	6.9
69.07068	23.0
70.06590	2.3
71.05009	3.4
71.59885	3.7
71.60259	2.0
79.05495	27.9
81.03419	4.5
81.07064	68.7
83.04995	3.5
83.08621	12.2
84.08155	2.6
85.02898	5.4
85.06545	5.1
86.09718	4.6
91.05479	27.4
93.07045	59.7
95.04967	8.1
95.08610	96.8
96.08954	2.7
97.02898	3.8
97.06540	16.8
97.10157	2.8
98.97620	2.4
99.04456	4.2
99.08079	2.8
100.11266	5.2
103.05479	2.9
105.07032	70.3
106.08797	1.6
107.04955	6.6
107.08598	74.0
109.02903	4.0
109.06515	8.6
109.09446	3.4
109.10158	48.4
111.04496	2.8
111.08080	28.9
115.05443	2.9
117.06997	10.9
119.08584	83.0
121.06509	6.2
121.10150	53.6
123.08087	7.8
123.11714	19.4
129.07001	9.2
130.07793	2.1
131.04895	4.0
131.08559	40.4
133.10133	71.6
134.99643	2.1
135.04413	2.7
135.08072	5.2
135.11700	29.8
137.06003	3.9
137.09642	10.1
137.13326	4.8
139.11201	4.5
141.07033	2.4
142.03224	5.1
142.07797	7.0
143.08560	26.9
144.09355	5.7
145.10124	70.7
147.04391	4.4
147.11687	45.7
149.09619	4.7
149.13257	30.8
151.11156	2.7
151.14813	3.0
153.01859	8.9
155.08556	7.5
156.09390	9.9
157.10135	40.6
158.10912	4.2
159.08003	2.8
159.11696	64.4
161.09605	4.8
161.13269	49.5
163.11229	2.9
163.14836	13.1
165.12778	3.0
167.08566	2.4
168.09352	4.5
169.10182	16.1
170.10933	3.6
171.11688	43.0
172.12471	4.2
173.09648	4.4
173.13268	50.3
174.13672	2.3
175.11194	5.7
175.14828	26.1
177.12767	7.2
177.16385	12.4
179.08623	3.0
179.10756	2.5
179.14313	2.6
181.10178	7.0
181.12210	2.2
182.10893	4.3
183.11673	22.0
185.13268	30.4
186.13982	2.9
187.11237	3.2
187.14836	57.0
189.12811	4.5
189.16393	24.7
191.10670	2.3
191.14287	6.3
191.18002	5.9
193.10207	3.5
193.12251	5.3
193.15919	2.9
195.11681	10.1
196.12492	2.9
197.13264	19.4
199.11226	2.4
199.14789	15.0
201.12743	3.4
201.16371	30.8
203.14348	10.3
203.17975	11.7
205.15898	16.9
207.11876	2.7
207.13840	2.8
207.17542	2.7
208.12451	2.1
209.13248	11.0
211.14900	10.2
213.16370	15.0
215.14349	7.6
215.17969	8.7
217.12306	3.5
217.15930	6.7
217.19493	3.9
219.13818	4.7
219.17480	12.0
221.13403	3.8
221.15421	4.9
223.14867	9.1
225.16319	11.1
227.18044	8.6
229.15909	10.4
229.19472	2.9
231.13840	6.4
231.17477	7.3
233.15390	10.3
233.19077	5.8
235.14830	3.3
235.16968	6.3
237.16397	5.9
239.17941	7.3
241.19464	6.1
243.17557	2.6
245.15247	3.3
245.19110	2.5
247.16963	43.9
249.16327	4.7
249.18648	3.1
251.17957	3.6
253.19630	5.8
255.17480	3.3
255.21066	3.2
257.15332	4.4
257.19049	3.0
259.16977	4.9
261.18616	3.1
265.19653	4.5
267.17538	3.1
267.21100	2.9
271.20627	6.1
273.14587	2.5
281.19064	5.5
285.18637	3.5
285.22195	2.8
287.05521	100.0
287.19998	5.3
288.05902	6.7
291.15579	3.5
295.20593	2.4
299.20071	7.2
301.21747	4.0
313.21725	4.5
325.25195	2.8
375.30597	2.3
377.28455	5.3
393.31631	4.2
395.29590	14.1
405.31656	2.9
407.33206	6.6
417.31619	14.6
423.32480	12.6
425.34286	2.5
435.32681	49.5
453.12677	12.9
453.20840	18.0
453.33667	95.8
454.34219	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.85590	3.1
50.92954	2.9
53.78542	3.2
55.05515	18.4
56.05027	5.2
57.03421	4.2
57.07052	4.7
67.05504	31.1
69.07066	22.0
69.80132	14.3
69.80547	8.4
69.90578	3.0
79.05483	26.1
81.07056	50.0
83.04955	4.1
83.08604	12.5
91.05472	20.8
93.07054	37.0
95.04978	5.4
95.08605	66.8
97.06521	5.3
97.10145	6.5
99.08144	6.1
105.07035	42.4
107.08595	53.3
109.06487	6.9
109.10144	31.2
111.08060	12.9
117.07010	5.0
119.08579	62.3
121.10143	34.8
123.08077	6.7
123.11695	8.0
131.08594	18.5
133.10139	27.3
135.11656	17.8
142.07747	4.7
143.08530	12.2
145.10129	45.9
147.11679	29.9
149.13260	20.0
157.10136	14.0
159.11673	31.3
161.13248	15.9
163.11238	5.0
163.14809	11.4
169.10117	7.2
171.11700	11.7
173.13263	21.7
175.14818	14.3
177.16422	3.9
181.10144	5.1
183.11673	7.5
185.13211	7.0
187.14787	20.8
189.16406	22.7
191.17899	4.2
197.13206	7.6
199.14803	8.6
201.16412	33.1
203.17975	11.8
205.15826	4.6
207.17421	5.5
209.20132	5.1
210.18527	100.0
211.14798	4.2
213.16414	11.2
215.17938	15.0
219.13976	5.8
219.17410	7.9
225.16261	3.9
226.17999	5.0
227.18121	5.8
227.21144	37.4
229.19478	5.3
233.15445	3.8
235.12123	3.8
239.17934	5.6
241.19478	7.3
245.15468	4.8
247.16887	5.9
253.19435	4.8
255.21077	4.9
259.17050	3.6
267.21262	4.4
273.18509	5.0
279.21225	4.0
299.20218	4.0
389.31915	7.6
407.33130	35.4
435.32584	12.9
436.34503	4.2
453.33633	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14146	8.1
54.27118	7.4
54.85701	7.8
55.05504	12.0
55.57675	7.8
59.06467	7.9
61.94376	7.6
62.80658	8.0
67.05517	19.9
69.07057	18.5
69.61670	45.8
69.62073	12.8
79.05508	11.8
81.07056	26.5
83.08610	12.2
83.16219	9.1
89.80921	8.3
91.05449	19.9
93.07030	16.5
95.08611	41.1
97.79848	7.3
98.20708	8.0
100.11266	12.4
105.07020	26.5
107.08579	35.6
109.10099	19.3
119.08571	100.0
121.10144	27.6
123.08105	8.9
131.08580	15.8
133.10101	35.1
135.11681	15.9
144.24724	8.2
145.10150	43.8
146.40875	8.8
147.11662	20.4
149.13281	15.3
159.11696	36.8
161.13246	13.8
163.07578	10.3
163.11154	16.4
173.09729	10.8
173.13246	33.8
187.14816	39.2
189.16362	31.8
201.16438	54.5
203.17953	19.8
205.15897	57.4
284.22791	9.1
388.91650	8.0
407.33078	88.8
453.33691	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78521	1.9
53.03938	4.3
55.05508	12.4
57.07073	4.5
65.03914	2.4
67.05505	25.3
69.07063	12.5
71.30470	3.7
72.64696	1.7
79.05491	20.1
81.07056	56.4
82.50660	2.1
83.08605	5.6
83.56949	1.8
91.05472	20.5
93.07043	49.3
95.04965	4.2
95.08602	100.0
96.33679	1.6
97.06519	3.5
97.10175	2.1
99.51198	1.9
105.07021	49.3
107.08592	66.5
109.06532	5.6
109.10145	45.2
111.08075	18.9
117.07018	7.0
119.08578	69.7
121.10143	41.6
123.08028	3.3
123.11694	16.4
125.09628	4.7
126.72286	1.8
129.07019	5.5
130.07794	2.1
131.08566	21.2
133.10123	41.0
135.08038	3.2
135.11691	28.7
137.13263	4.1
139.11189	5.2
142.07799	2.6
143.08543	10.5
144.09261	1.8
145.10114	48.4
147.08075	1.9
147.11681	50.0
149.13237	22.6
151.11172	4.0
153.09149	2.3
153.12750	3.5
155.08537	2.6
156.09404	2.8
157.10162	19.4
158.10867	2.4
159.11687	47.2
161.09619	2.9
161.13251	36.3
163.11098	4.4
163.14798	16.2
165.12796	3.2
169.10138	6.8
171.11685	14.8
173.13258	30.3
175.14854	19.1
177.16383	8.3
179.14349	2.6
183.11740	5.2
185.13277	14.9
187.14806	38.5
189.16350	18.2
191.10680	5.2
191.14452	2.1
193.12199	4.7
193.15817	2.4
197.13298	11.8
199.14790	11.2
201.16380	28.1
203.16322	2.3
203.17946	14.0
205.12209	3.7
205.15826	9.5
207.13812	6.0
207.17433	3.9
209.13269	3.7
211.14781	9.6
213.16402	18.3
215.17949	9.3
217.12262	2.5
217.15974	4.6
219.13818	12.5
219.17455	5.3
221.15405	3.5
225.16376	6.1
227.17981	7.7
229.19518	4.7
231.02032	2.2
231.13779	4.0
231.17360	3.2
233.15404	12.1
239.17961	3.6
241.16005	3.1
241.19524	6.5
245.15395	3.9
245.19148	2.2
247.16859	14.2
253.19629	4.8
255.20978	4.9
257.15396	7.6
259.16931	28.9
267.21063	8.6
269.22638	2.6
271.16946	6.9
273.18512	10.1
273.21472	2.0
285.18536	13.4
285.22067	5.5
287.20010	18.2
297.01196	2.4
297.18484	3.7
299.20065	14.2
299.23190	3.0
301.21500	4.6
311.20047	3.2
313.21771	11.2
325.21631	2.3
327.23212	3.2
339.23209	4.2
341.24796	2.8
353.24612	2.9
389.31931	4.7
393.27792	2.6
395.29636	11.3
407.33099	28.7
423.32742	11.4
435.32654	35.5
453.24295	3.4
453.33682	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03943	2.0
55.05518	8.7
57.07078	3.3
67.05505	25.3
69.07071	16.0
71.05212	5.0
79.05490	16.4
81.07058	49.2
83.08636	4.4
91.05482	15.9
93.07047	46.0
95.04969	3.4
95.08605	100.0
97.06527	2.3
97.10172	3.9
105.07038	39.2
107.08598	63.0
109.06506	4.9
109.10158	37.4
111.08074	18.1
115.33735	1.6
117.07027	5.6
119.08582	62.5
121.09308	3.1
121.10146	43.9
123.08112	2.2
123.11713	14.0
125.09581	2.2
131.08559	16.7
133.10129	41.4
135.11691	25.5
137.09662	3.1
137.13243	3.0
139.11169	5.2
143.08566	8.2
144.09409	2.7
145.10124	43.6
147.11688	40.4
149.02420	1.9
149.13257	23.2
151.11172	4.0
155.08577	2.1
156.09319	2.9
157.10130	17.6
158.10959	1.9
159.11696	37.4
161.13255	31.9
163.14836	14.2
165.12708	4.6
169.10115	5.2
171.11679	16.2
173.13254	27.4
175.14841	16.4
177.16431	8.4
183.11708	6.1
185.13272	11.9
187.14839	33.3
189.12897	2.3
189.16353	18.9
191.17966	2.8
193.12265	3.8
195.11665	1.7
197.13260	6.6
199.14850	13.5
201.16365	21.2
203.17934	12.8
205.03029	2.0
205.15895	7.3
207.13846	5.5
207.17531	3.8
211.14839	7.9
213.16351	12.1
215.14221	2.3
215.18048	5.4
217.12320	3.1
217.15910	5.0
219.13876	8.5
219.17471	4.4
221.15486	4.1
225.16457	5.1
227.17912	8.6
229.19511	1.8
231.13826	2.5
231.17392	2.8
233.15384	11.6
235.16948	2.9
237.07683	4.2
237.16553	1.8
239.17940	3.9
241.19583	8.8
241.21689	1.9
243.13741	2.0
245.15393	4.3
247.16924	10.8
253.19487	4.0
255.21033	5.5
257.15338	6.2
259.16943	27.4
267.21030	3.9
269.22653	2.4
271.16986	5.8
273.18613	8.3
273.22260	2.1
274.72037	2.1
281.22623	2.2
283.16751	2.2
285.18561	9.7
285.21820	3.1
287.20084	17.1
297.18378	2.5
299.20105	8.2
299.23483	2.5
301.21823	2.0
313.21674	9.7
313.25031	2.1
339.23169	2.0
341.25006	2.2
388.98074	2.4
389.32281	2.3
393.27676	2.0
395.29550	8.2
407.33170	15.7
423.32614	13.1
435.32639	31.5
453.33627	60.0
454.34048	3.1
458.05408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.05510	16.2
56.81015	1.9
56.96555	2.6
57.07073	4.6
65.03924	2.6
67.05502	29.3
69.07061	19.3
71.04998	2.6
79.05492	27.5
81.06577	3.3
81.07055	60.0
83.08608	7.9
85.51920	2.1
91.05481	25.9
93.07047	57.6
95.04961	8.3
95.08607	100.0
96.08936	2.9
97.06544	6.4
97.10175	3.1
105.07029	62.0
107.08591	75.4
109.06511	9.3
109.10153	43.5
111.08073	21.7
111.11748	3.1
114.50697	2.1
117.07012	8.3
119.08582	80.8
121.06535	2.4
121.10143	52.0
123.08048	6.4
123.11710	17.3
125.09619	4.3
128.06253	3.7
129.07022	6.0
130.07742	3.0
131.08568	27.7
133.10127	51.2
135.08009	3.3
135.11684	31.0
137.09650	2.5
137.13269	4.6
139.11214	4.6
142.07787	4.1
143.08588	13.0
144.09351	4.3
145.10120	59.5
147.08046	3.3
147.11684	46.3
149.09679	4.4
149.13255	22.5
151.11182	6.3
155.08572	6.6
156.09389	7.1
157.10118	29.9
158.10872	3.5
159.11693	57.1
161.09642	4.0
161.13260	41.5
163.11134	6.1
163.14827	12.4
163.96843	2.2
165.12740	3.5
169.10150	9.8
170.10921	4.0
171.11681	25.5
172.12489	3.1
173.09515	2.8
173.13255	37.3
175.14818	19.9
177.16431	11.9
179.10648	5.0
179.14349	3.8
181.10045	2.4
182.10902	2.6
183.11636	11.5
184.12515	2.4
185.13246	18.0
187.11308	2.5
187.14804	42.8
189.12700	4.0
189.16399	22.0
191.17979	3.2
193.12262	6.9
195.11794	4.6
196.12578	2.3
197.13263	12.5
199.14830	14.0
201.12822	3.0
201.16359	28.2
202.09761	2.1
203.14354	5.6
203.17960	14.0
205.15915	9.1
207.13741	10.2
207.17397	4.8
209.13380	5.0
211.14836	8.4
213.16324	12.6
215.14429	3.8
215.18021	7.3
217.15938	5.7
219.13847	9.7
219.17464	5.2
221.15393	6.1
223.14917	4.7
225.16403	7.7
227.17976	9.6
229.15964	5.1
229.19485	3.2
231.13879	3.9
231.17474	5.6
233.15361	8.6
235.16933	2.7
237.16371	3.5
239.17952	5.0
241.19507	5.1
243.20995	2.6
245.15526	3.3
245.18996	5.0
247.16898	15.8
249.18588	3.2
253.19554	5.8
255.20992	4.0
257.15485	6.1
257.18939	2.7
259.16995	15.9
259.19662	2.6
265.19547	3.2
267.21133	5.7
271.16907	3.9
271.20752	4.2
273.18567	6.9
275.20059	2.8
276.71460	2.4
281.19138	2.6
283.16684	2.8
285.18533	9.1
285.22046	4.9
287.20126	15.6
295.20544	2.5
296.81439	2.5
299.20007	11.2
301.21609	5.3
313.21619	10.0
325.21698	2.4
395.29514	12.6
407.33145	12.9
417.31525	7.8
423.32559	13.7
425.34384	2.6
435.32632	48.9
453.33667	76.8
454.34036	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	453.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01870	2.1
55.05261	1.9
55.05507	21.2
56.96564	22.8
57.03429	5.1
57.07064	2.6
63.49880	1.9
65.03941	2.9
67.05170	3.2
67.05504	44.7
69.03437	2.0
69.07069	19.1
69.85648	9.1
71.04974	7.6
71.95251	3.8
79.05493	32.1
81.07057	100.0
83.04977	8.3
83.08621	14.3
85.06522	5.1
91.05483	33.9
93.07040	32.7
95.04956	5.9
95.08607	96.6
95.09069	1.4
95.09234	2.8
97.06524	16.1
97.10159	8.0
99.08096	12.3
100.11256	3.6
105.07030	33.8
107.04902	2.3
107.08587	13.5
109.06497	3.2
109.10165	7.8
111.08087	3.3
113.09631	7.3
117.07003	4.2
119.08578	46.8
121.10169	14.4
122.49194	2.0
123.08040	6.6
123.11705	2.1
127.07523	1.8
128.98561	3.0
131.08533	5.3
133.10126	37.8
134.99600	2.2
135.11685	19.2
137.09666	4.2
137.13261	11.4
145.10085	4.2
146.99667	2.7
147.11618	1.9
157.87054	1.7
159.11690	2.7
161.13252	81.0
163.11107	2.3
179.14310	91.3
197.15324	7.0
203.14467	2.0
221.15213	2.2
226.22031	2.0
239.16490	3.5
319.19409	28.9
337.20483	87.7
338.21033	2.4
339.26929	2.6
355.21515	5.5
357.27740	5.4
360.18002	2.8
360.22073	16.5
360.82483	2.1
375.28845	19.6
393.22940	7.5
417.99765	2.3
451.49210	2.1
453.20462	2.1
453.34058	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	453.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01860	4.3
55.05508	8.9
56.96555	2.2
57.03418	5.6
57.24126	1.4
61.02907	6.4
67.05508	6.7
69.03427	19.8
69.07051	4.6
69.30266	14.7
71.04971	2.4
73.02905	2.3
79.05480	7.5
81.03419	7.9
81.07060	15.2
83.04967	3.8
83.08616	3.3
85.02420	2.3
85.02901	33.8
85.06544	5.7
87.04456	2.3
91.03931	2.3
91.05472	9.5
93.07043	13.7
95.04971	6.5
95.08601	9.4
97.02893	13.9
97.06521	4.4
98.97552	1.5
99.04456	2.3
100.11225	8.3
105.07027	14.2
107.04953	4.9
107.08604	8.9
109.02861	5.1
109.06507	7.5
109.10155	5.1
111.04434	3.2
111.08076	44.6
115.05447	1.4
116.98611	2.0
117.07001	3.2
119.08569	14.1
121.06486	5.4
121.10119	8.5
121.89232	1.5
122.07274	1.7
123.08079	15.8
123.11713	1.8
127.03904	7.3
129.06985	3.2
131.08594	8.3
133.10117	13.7
134.99652	2.4
135.08064	6.9
135.11685	4.0
137.09590	4.6
141.05476	1.6
143.08534	3.2
145.04956	4.1
145.10120	11.9
147.08028	4.3
147.11694	10.9
149.09615	5.4
149.13147	1.7
151.07544	64.2
151.11118	1.7
153.08989	1.6
156.09352	1.8
157.10135	3.8
159.08035	4.1
159.11691	6.2
161.09637	4.6
161.13200	3.9
163.11131	9.1
168.87260	1.3
169.10085	2.4
171.11650	5.8
173.09599	3.9
173.13246	5.2
174.10365	6.8
175.11163	3.5
177.09135	2.4
179.10660	12.1
181.10126	1.9
181.12204	2.5
182.15387	3.9
185.13255	2.2
187.11176	2.1
189.12743	100.0
191.10677	2.0
191.14323	3.3
197.11711	12.2
197.13275	3.1
199.11189	1.7
201.16336	3.0
205.12239	1.9
207.13789	42.5
210.14835	4.5
213.16226	2.6
215.14345	3.3
217.12422	2.8
227.17761	2.1
235.13329	3.9
255.17448	3.1
273.18488	39.6
285.10172	1.7
289.09393	1.6
291.19543	13.6
369.19156	17.7
384.71371	1.4
440.00623	1.6
453.11209	1.5
453.25189	24.2
453.34137	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	453.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93304	0.3
53.03938	1.0
55.01864	0.6
55.05505	0.6
56.96558	0.5
57.03433	1.7
58.85590	0.3
59.04955	0.4
61.02916	1.9
65.03936	0.7
67.05491	1.1
69.03429	6.7
69.07079	0.8
69.57605	1.4
69.58033	0.8
70.06562	1.0
71.04977	0.6
72.08146	0.9
72.67877	0.3
73.02940	0.7
79.05482	0.4
80.04994	0.4
81.03422	2.8
82.06574	0.3
83.04960	0.7
84.04492	0.5
85.02414	0.6
85.02903	8.2
86.09697	2.6
87.04442	1.0
91.03939	0.6
91.05453	1.0
93.03416	0.5
94.06562	0.7
95.04955	0.8
95.08590	0.4
96.08128	0.5
97.02900	4.2
97.06547	0.3
98.21507	0.6
99.04428	0.6
103.64866	0.3
105.07026	0.5
106.06520	0.3
107.08602	0.4
109.02865	1.2
109.06543	0.4
110.06024	0.9
111.04475	0.3
112.03858	0.3
112.07578	0.4
117.21407	0.3
119.08534	0.5
120.08091	1.3
121.02628	0.6
121.06490	0.5
122.06024	1.1
124.07603	2.9
125.02332	0.4
125.09643	0.4
127.03924	1.5
131.08543	0.5
133.10097	0.9
134.06038	0.6
136.03906	1.6
136.07556	0.5
137.02333	1.2
137.05989	0.4
138.05440	0.6
138.09126	4.4
140.07076	4.0
145.04942	0.6
145.10147	0.6
147.00491	0.4
147.04459	0.4
148.07570	0.5
150.05502	0.9
152.07040	1.3
154.05000	4.4
154.08612	3.3
157.08829	0.4
158.09604	0.5
168.06519	0.9
172.07507	0.7
172.11198	1.0
173.13078	0.4
174.09129	0.8
174.11522	0.4
175.12326	0.4
177.09137	0.3
178.04988	0.5
184.07587	0.4
185.08342	0.6
186.09158	0.6
188.10707	1.3
190.08656	0.6
190.12270	1.1
196.06036	1.9
198.38835	0.4
199.08754	0.5
200.07330	0.5
200.10808	2.8
202.10811	0.6
203.08252	0.6
203.11880	0.9
207.11307	0.4
210.09200	0.6
212.09404	1.6
213.07964	0.7
213.10202	0.9
215.08026	0.5
215.11815	1.1
216.10234	1.8
216.12276	0.6
217.09703	0.4
217.13368	1.3
218.11789	1.6
226.07375	1.1
227.08206	2.9
227.11719	2.7
228.10214	11.9
229.11182	0.5
231.11296	1.7
232.12015	0.6
233.12727	0.4
235.10918	0.4
240.08813	0.4
241.09627	1.8
242.10455	3.9
243.11247	6.1
244.12062	2.4
245.12851	8.0
246.11261	5.1
255.11320	4.1
256.09653	1.1
257.08231	0.4
257.12881	0.7
258.63455	0.4
260.11606	1.1
261.12344	1.3
263.13940	0.8
273.12320	12.8
274.10736	4.6
291.13376	100.0
292.13599	1.1
440.07623	0.4
440.26770	0.3
453.13632	0.8
453.20432	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.4
56.96561	1.4
57.03438	4.7
57.07071	3.7
62.06088	24.6
63.80103	1.2
67.05506	10.8
69.07069	29.5
69.86540	3.3
69.86955	4.4
71.08647	1.8
79.05477	3.7
81.07056	14.2
83.08614	12.6
87.11777	1.4
90.45491	1.4
93.07029	5.5
95.08601	10.6
97.10170	7.9
98.06053	1.6
98.98483	6.8
107.08585	4.9
107.69500	1.4
109.10148	6.7
119.08543	1.8
121.10146	4.0
123.11658	2.3
124.48746	1.5
135.11682	4.1
145.10139	1.3
149.13364	1.7
155.00992	7.7
163.03941	3.6
172.95267	5.4
174.06476	1.4
189.00720	1.5
190.96315	4.2
198.05344	1.9
207.06519	4.1
216.06311	3.2
228.97884	1.7
237.22096	5.1
247.20216	1.6
280.26373	23.1
283.13959	2.0
311.25803	100.0
312.26099	4.7
391.22610	2.6
406.52649	1.5
471.18042	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	453.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01851	0.5
56.96561	0.5
57.03425	1.0
61.02906	1.2
65.03933	0.4
67.05505	0.8
67.76595	0.3
69.03075	0.4
69.03426	5.3
69.07063	0.8
70.06570	1.0
70.57938	0.4
70.58300	1.1
70.63255	0.3
72.08160	0.5
73.02911	0.9
79.05460	0.6
79.98093	0.4
81.03410	2.1
83.04957	0.7
84.08127	0.5
85.02419	0.6
85.02898	7.9
86.09683	0.4
87.04450	1.0
89.49283	0.3
91.03947	0.5
91.05473	0.4
93.03396	0.5
95.04967	0.8
96.08126	0.8
97.02904	3.1
99.04456	0.7
105.06993	0.4
108.04473	0.9
109.02871	1.0
110.06062	0.7
112.07561	0.4
120.08089	0.5
121.06564	0.4
122.06023	1.3
124.07577	3.3
127.03887	1.6
134.06033	0.6
136.03909	1.5
136.07556	1.1
137.02333	1.0
138.05424	0.4
138.09131	4.5
140.07053	4.0
145.09995	0.4
150.05469	0.6
152.07014	1.4
154.05002	5.1
154.08621	2.7
157.08881	0.6
160.07594	0.5
162.09206	0.5
164.07051	0.4
168.06573	0.7
172.07574	0.5
172.11205	0.8
174.09219	0.8
182.09778	0.4
185.08356	0.9
186.09142	0.9
188.10757	0.9
190.12228	0.9
196.06046	1.3
200.09212	0.3
200.10822	2.9
203.11897	0.6
212.09430	1.5
213.08044	0.5
213.10228	0.9
214.11058	0.4
215.08141	0.6
215.11797	1.4
216.10330	0.9
217.13318	1.6
218.11736	1.5
226.07451	1.1
227.08246	2.7
227.11722	2.2
228.10233	11.5
229.11121	0.7
230.10268	0.5
231.11351	1.2
232.12019	0.8
233.12900	0.4
237.07867	0.4
240.08990	0.4
241.09727	2.0
242.10497	3.0
243.11270	4.7
244.09872	0.6
244.12068	2.7
244.14470	0.4
244.15240	0.3
245.12880	7.2
245.15407	0.6
246.11264	4.6
247.10750	0.7
253.11528	0.7
255.09048	0.8
255.11266	2.9
256.09674	1.2
258.09818	0.5
260.11591	0.5
261.12402	1.0
263.14020	0.5
273.12341	10.4
273.15186	0.8
274.10715	3.8
285.10120	0.7
291.13379	100.0
292.11786	1.5
306.17715	0.7
352.18701	0.4
401.19382	0.4
404.99207	0.4
453.18292	1.5
453.23935	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75080	1.6
55.05515	14.6
56.96565	1.8
57.03419	5.7
57.07065	4.8
62.05787	1.8
62.06089	26.5
67.05515	7.4
69.07069	20.1
71.04991	2.1
71.08606	2.4
71.59522	2.7
72.10848	1.4
73.87656	1.4
79.05473	3.3
81.07052	13.2
83.08621	13.4
93.07025	4.9
95.08617	11.6
97.06494	1.8
97.10146	6.1
98.98459	6.6
107.08556	3.5
109.10164	4.7
111.11760	1.6
116.31763	1.6
121.10123	4.3
135.11661	3.4
147.18242	1.7
154.94237	2.2
155.01016	7.7
155.32855	1.7
163.03871	6.2
171.22240	1.5
172.95181	9.1
173.02051	1.8
190.96346	8.0
192.06451	1.4
207.06519	8.8
219.21080	2.2
228.97910	2.8
237.22133	5.5
280.26312	11.0
311.25800	100.0
312.26062	3.1
391.22549	2.9
413.37668	1.5
435.11090	1.8
453.17346	3.6
471.18173	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.4
56.96553	0.4
57.03180	0.6
57.03436	8.0
57.06830	0.3
57.07071	5.8
59.04993	0.6
67.05505	10.3
69.03403	0.5
69.07066	21.3
69.37518	1.3
69.37931	2.4
71.04990	0.6
71.08626	3.0
79.05488	4.9
81.06580	0.7
81.07053	12.2
83.05025	0.5
83.08137	0.7
83.08618	12.7
85.06524	1.0
85.10171	1.1
91.05469	1.0
93.07040	7.4
95.04967	0.5
95.08599	10.1
97.06524	2.0
97.10175	6.0
98.20733	0.8
98.98469	0.4
99.08105	0.5
104.40892	0.3
105.07058	0.8
107.08599	4.6
109.06537	0.4
109.10158	3.6
111.08080	1.6
111.11707	1.8
121.10133	6.9
123.11699	1.9
123.67934	0.5
124.01546	0.5
124.61338	0.4
131.08592	0.6
135.11699	4.2
137.13239	1.2
139.11139	0.4
149.02283	0.5
149.13232	2.3
153.12836	0.5
154.94139	0.5
163.03923	1.9
163.14822	0.5
172.95192	1.9
190.96262	1.5
193.04858	0.5
207.06531	3.8
216.06302	0.5
219.21083	1.1
228.97935	0.6
237.22131	1.6
280.26395	2.7
311.25787	100.0
312.26147	5.5
452.32217	1.4
453.16760	1.0
467.72769	0.5
471.18069	1.8
478.82425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01857	2.5
55.05262	1.8
55.05510	12.5
56.96567	8.8
57.03426	2.9
67.05502	17.2
69.03425	27.8
69.07069	11.3
70.06591	2.5
71.04992	5.1
71.59779	1.6
71.60233	2.1
79.05481	12.3
80.05025	1.8
81.03413	3.8
81.07056	28.6
83.04977	3.2
83.08607	7.8
85.02898	10.8
85.06556	3.5
87.04491	1.7
91.05473	9.8
93.07039	11.4
95.04957	4.3
95.08602	30.2
96.04484	2.6
97.02886	17.4
97.06522	15.1
97.10137	2.1
98.06882	2.6
98.97600	4.8
99.08071	2.7
100.11289	2.5
105.07031	12.2
107.04947	5.3
107.08591	7.0
109.06535	2.5
109.10169	5.4
115.03923	8.8
116.98631	3.7
119.08570	12.9
121.06544	2.0
121.10118	4.5
123.08055	3.4
124.03952	100.0
127.03977	1.9
129.06989	1.9
131.08536	2.6
133.01680	1.9
133.10150	8.6
134.02141	1.7
134.99684	4.6
135.11703	4.1
137.09590	2.1
137.13258	3.3
139.07594	1.8
145.10114	3.7
147.11812	1.7
157.10211	2.1
159.11717	3.4
161.13240	20.1
163.03899	4.6
164.04266	2.3
172.12077	1.7
173.02399	3.2
176.93210	1.9
177.00690	2.4
179.14299	11.5
182.69533	1.7
184.07368	2.2
187.14838	2.2
197.15271	2.9
215.07095	4.0
216.07397	3.6
219.01639	2.1
242.66638	1.7
251.08525	1.9
251.16426	1.9
259.09726	5.9
260.10037	10.0
266.11411	2.7
275.16422	3.4
284.12347	2.3
293.17355	4.1
308.12424	2.6
311.18466	19.4
329.19580	8.3
352.10934	1.7
410.15701	3.3
428.16910	3.7
452.17004	2.7
453.17557	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.1
55.01871	6.3
56.96576	1.8
57.03429	5.6
60.95837	2.2
61.02911	4.6
64.73897	1.6
64.74302	1.6
67.05490	3.0
68.99782	1.9
69.03429	30.1
69.78285	8.8
70.06586	2.1
71.04992	17.8
71.08624	11.2
72.69808	1.3
73.02911	4.2
79.05464	1.8
81.03407	22.5
81.07051	9.4
83.01302	1.5
83.04971	1.5
85.02905	74.8
86.09711	1.9
87.00827	29.7
91.05473	5.7
93.07021	3.6
95.04951	2.7
95.08625	1.8
97.02888	36.7
97.06548	2.0
98.97616	1.7
99.04460	11.6
99.08092	13.9
103.05471	2.3
105.01867	44.2
105.07022	3.7
107.08594	2.6
109.02877	44.8
109.10119	4.4
116.98621	2.0
127.03918	59.6
129.01851	2.3
132.08878	1.5
133.10161	7.5
137.05890	2.2
141.12740	100.0
142.02740	1.9
142.13025	2.3
143.08537	3.5
145.04968	15.2
151.11147	3.8
159.02928	7.2
159.08000	2.0
169.12241	92.2
171.11662	2.4
174.10507	2.3
187.13277	10.9
188.67947	1.6
189.03926	3.0
212.48286	1.6
213.03914	5.8
217.12399	2.2
231.04993	16.1
259.29477	1.6
260.09976	1.8
278.22845	1.7
295.15689	2.0
323.13071	2.1
325.11469	1.8
385.93069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.6
57.03437	9.9
57.07079	7.4
63.20047	4.6
67.05499	16.0
69.07066	20.2
69.67744	18.8
69.68169	11.7
79.05497	6.8
81.07058	15.1
83.08614	12.2
83.38952	3.7
93.07054	11.4
95.08602	10.1
97.10184	9.6
98.20765	8.6
107.08607	4.7
109.10157	12.1
112.99291	8.1
113.00020	100.0
121.10116	5.9
135.11671	8.3
136.50334	4.3
158.43048	3.8
169.02585	57.8
281.09564	4.2
339.28922	89.8
340.28830	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	451.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05552	0.7
56.96611	0.5
58.99907	0.9
62.41386	0.4
67.05569	2.4
69.03489	0.5
69.07133	1.4
71.59702	0.5
71.60155	0.4
77.00910	7.2
79.05554	1.7
81.07058	3.6
83.05032	0.6
91.05554	2.2
93.07037	2.9
95.01937	8.9
95.05062	0.5
95.08598	4.2
97.92094	0.5
103.25321	0.5
105.07037	2.4
107.05024	1.9
107.08595	2.3
109.10164	2.6
117.07027	0.5
119.08599	3.3
121.10210	1.5
123.11783	1.3
131.08646	1.5
133.10223	1.6
135.08084	0.5
135.11737	0.7
137.06055	1.7
143.08568	1.2
145.10190	1.9
147.11734	1.3
149.13293	1.0
157.10187	1.2
159.11765	2.0
161.13280	1.1
170.76950	0.4
171.11745	1.3
173.13312	1.5
178.18279	0.5
183.11932	0.7
185.13284	1.1
187.14871	1.0
189.16403	1.4
199.14873	0.8
201.16403	1.8
203.17943	1.2
209.13763	0.6
211.15150	0.8
213.09732	0.9
215.11328	0.5
215.18027	1.1
217.10712	0.8
219.12256	2.3
225.13393	0.6
225.16554	0.5
225.25098	0.5
231.10808	0.9
235.11853	1.1
237.13329	36.2
238.13612	1.8
239.11082	0.5
241.12567	0.7
243.14407	13.1
251.11172	0.5
253.12825	2.1
255.14406	100.0
256.14603	4.6
257.15060	0.6
260.14932	2.0
261.15472	4.0
265.07141	0.8
266.16034	0.9
273.15457	21.0
274.15710	0.6
278.16034	7.9
296.17017	1.5
319.18472	0.5
335.20679	0.7
353.21420	0.8
371.22653	0.7
373.16455	0.7
391.17343	1.8
405.31485	0.7
433.16217	0.4
433.30988	1.0
451.28687	22.1
452.28888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01867	24.1
55.05505	18.0
56.96558	22.6
57.03432	11.5
65.03911	8.6
66.36915	6.8
67.05503	27.1
69.03429	27.8
69.07063	28.2
70.06586	22.5
71.04986	9.8
71.42698	14.2
72.65335	6.1
76.01940	6.2
79.05486	29.4
79.37280	7.6
81.03420	28.1
81.07064	53.6
83.08614	11.3
84.08144	9.6
84.96049	10.6
85.02889	32.3
85.06548	14.7
86.09683	10.0
87.00825	15.8
91.05470	27.8
93.07067	35.1
95.04942	14.4
95.08625	43.2
96.08850	7.5
97.02889	22.2
97.06535	98.5
98.06850	11.8
98.97585	26.3
99.04475	7.6
105.01868	6.9
105.07024	22.9
107.08585	31.5
109.02845	7.4
109.06487	7.6
109.10143	20.1
112.99171	8.9
116.98618	21.8
119.08578	25.8
121.10156	12.5
123.08083	13.7
123.11738	9.8
123.40208	8.5
127.03951	19.1
129.03242	8.2
131.00145	8.5
133.10147	18.6
134.99648	20.2
135.08075	10.4
135.11655	11.5
143.08569	7.6
145.10139	9.2
147.11633	7.8
149.01215	19.4
149.13264	18.6
150.13644	13.9
157.10144	13.7
159.11687	10.5
161.02341	10.3
161.13287	21.2
163.03920	36.7
167.14316	16.9
168.14659	14.1
169.10107	8.9
173.01102	11.3
173.02383	24.6
173.13275	8.3
177.00699	16.7
179.14325	16.5
185.15384	23.1
186.15707	23.3
191.02254	14.5
215.07095	32.6
219.01744	8.0
237.02660	8.7
245.10397	11.0
259.09668	100.0
263.17892	7.0
265.11023	10.2
271.19061	54.9
289.11099	24.0
303.12900	7.2
307.12146	19.4
325.31024	7.6
331.12097	11.7
333.45221	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	451.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
63.15993	3.5
67.05511	16.5
69.07056	9.8
70.11877	12.9
70.12299	5.5
71.04993	3.1
77.00887	7.2
79.05477	7.7
81.07056	34.4
83.08639	3.0
85.02893	7.9
85.17068	3.0
91.05473	7.7
93.07033	7.0
95.01946	9.1
95.08614	29.8
97.02910	4.6
97.06541	20.0
98.21423	4.1
103.02789	2.9
105.07011	6.9
107.08575	5.9
109.06543	3.7
109.10146	6.6
119.08577	11.4
121.10158	8.5
133.10139	8.3
143.08656	4.8
149.13300	3.4
159.11774	3.1
161.13257	24.8
163.03845	3.7
179.14330	25.9
197.15442	5.9
237.13365	37.8
243.14433	11.3
253.18063	6.8
255.14410	100.0
255.17003	6.6
259.09656	14.8
259.12030	6.8
261.15414	4.2
271.12137	10.2
271.18994	44.6
273.15408	15.4
289.92255	3.8
451.29074	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	451.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60685	0.9
55.01873	1.2
55.05508	1.7
56.96565	2.5
57.03432	2.1
67.05507	1.9
69.03424	4.6
69.35638	0.9
70.06597	4.0
71.58742	1.2
72.08142	9.4
76.57107	0.8
79.05476	2.8
81.03425	3.1
81.07072	2.1
82.06570	1.5
83.08625	1.5
84.04512	1.8
84.08136	0.9
85.02897	7.9
85.06501	0.8
86.09705	4.2
88.64393	0.9
91.05477	3.2
93.07049	3.1
95.04978	1.9
97.02903	4.8
97.06510	1.2
98.97573	3.0
99.04437	1.3
102.05518	1.3
103.05478	1.9
105.07019	3.3
107.08601	1.6
108.08125	3.3
109.02871	1.6
109.06518	1.2
110.07152	2.9
116.01653	1.1
116.98603	1.9
117.81016	0.9
118.06552	3.8
119.04934	0.9
119.07330	2.9
120.08102	37.9
121.10128	1.8
122.06044	1.0
123.08078	2.6
124.07571	4.6
126.09177	2.1
127.03918	2.5
128.98598	1.6
129.58018	1.0
130.05000	1.7
133.06528	2.1
134.99695	2.5
136.03987	2.3
136.07562	20.4
137.05949	1.3
138.06532	0.9
138.09119	1.5
140.07178	1.1
145.04939	1.2
146.99680	2.0
147.11697	1.5
148.06433	1.6
148.07565	10.5
156.07718	1.2
159.11761	1.0
161.06004	6.0
162.02194	2.2
162.09157	1.7
164.07074	13.6
167.06978	1.3
177.00735	2.0
177.10252	1.3
183.10477	1.7
186.11531	1.4
187.12297	2.8
193.08644	2.7
198.12863	1.3
199.08675	2.0
211.09824	1.8
213.10291	3.9
214.10915	6.4
215.11864	5.6
215.15443	3.7
222.08253	1.6
225.13902	3.7
226.12262	4.8
227.11819	1.3
228.12527	7.8
237.02856	3.4
242.10454	1.6
242.14163	2.4
243.14925	58.7
244.15332	2.0
247.12761	1.2
253.13295	3.4
255.11351	1.6
263.09665	1.0
271.14407	100.0
281.10706	1.6
289.12292	2.5
289.15454	76.6
299.11905	1.1
345.14664	1.0
443.15750	1.8
451.21103	1.8
461.16669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36863	1.0
51.95445	1.1
52.60513	1.0
53.89854	1.0
55.05513	1.1
56.96564	26.9
57.38085	1.0
67.05500	2.2
71.08595	1.3
71.61642	1.1
71.61996	1.1
71.95258	4.4
74.97626	1.2
81.07059	2.5
89.06030	5.3
95.08619	1.3
98.97564	1.1
110.97633	1.3
115.97811	1.1
128.98599	4.1
131.08556	1.3
146.99686	8.4
149.01172	2.4
155.03853	1.5
155.65942	1.1
161.01233	1.3
165.00729	2.2
169.05296	1.3
186.26450	1.1
189.04286	1.8
192.03696	1.0
199.64305	1.2
217.07603	1.2
261.51370	1.1
287.86090	1.2
317.17865	100.0
319.19339	1.6
335.18915	57.7
336.19122	1.3
353.19858	1.7
358.20538	22.7
391.21570	10.7
391.29504	1.5
446.26556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	27.4
57.07051	0.8
67.05487	1.2
69.70789	3.1
71.95260	3.5
72.96040	1.4
74.97590	1.0
77.70301	0.6
79.05473	1.6
81.07042	1.3
84.09188	0.6
84.96046	1.4
89.06024	1.9
91.05477	0.7
92.98615	0.6
93.07034	1.1
95.08603	0.7
97.96778	0.8
98.97572	1.4
105.07008	1.1
107.08621	0.7
110.97583	1.2
115.97875	0.6
116.98576	2.0
119.08565	1.2
121.10120	0.8
121.90714	0.6
123.01193	1.0
123.20760	0.6
123.22475	0.6
128.98602	3.1
131.00114	0.7
131.08513	0.6
131.74124	0.6
133.08578	1.4
133.98900	0.7
134.48759	0.6
134.99651	1.4
141.02261	1.0
145.09978	0.7
146.99649	7.0
149.01187	1.9
153.00662	0.7
155.03764	1.9
161.01189	1.8
165.00708	2.4
169.05367	1.0
170.01282	0.8
171.03278	0.9
179.02315	1.3
189.04327	2.0
203.05870	1.0
207.05312	0.6
227.09520	0.7
231.08984	0.7
245.10562	2.6
257.10452	0.8
279.12622	1.3
297.13779	0.9
317.17868	100.0
318.18149	2.5
319.19388	1.2
333.17279	1.3
335.18921	56.2
336.19357	1.5
339.62720	0.6
353.19992	1.7
358.20514	20.8
359.20850	1.0
361.20657	0.8
386.22003	0.7
391.21481	8.5
451.31909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68148	0.7
54.44295	0.6
60.08155	1.0
65.32642	0.8
69.97147	3.5
104.10735	8.6
109.88721	0.7
114.80281	0.8
121.77534	0.8
128.60376	0.6
136.06180	6.7
174.98958	0.7
184.06395	14.1
268.10443	1.1
391.02698	1.6
451.04837	100.0
452.05307	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	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44850	1.2
55.36134	1.3
56.96257	1.2
56.96553	6.9
61.45119	1.3
67.37492	1.2
69.03413	1.8
71.33115	1.4
71.33424	3.1
83.84612	1.3
84.96009	1.8
85.02888	4.0
87.10046	1.3
87.83972	1.3
97.02869	2.2
97.57327	1.2
98.97575	7.2
116.98631	3.3
131.00122	1.9
133.00792	1.4
133.03435	1.5
146.99681	1.6
149.06653	1.4
150.69640	1.3
158.99626	1.6
160.56516	1.6
161.01262	1.9
161.02866	1.8
165.00659	1.7
170.23296	1.4
177.00713	1.9
178.05060	1.5
181.94731	1.4
189.00624	1.7
189.02361	1.2
190.98610	3.1
192.70741	1.5
200.66682	1.4
205.00078	1.3
215.07500	1.5
219.01752	2.0
237.02765	6.3
248.99174	2.4
263.05911	2.0
267.00354	2.5
281.01764	3.3
294.73395	1.4
295.06885	2.5
305.10629	7.0
311.96524	1.3
317.10098	2.6
349.01236	1.5
451.04782	100.0
452.05417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
55.01872	8.7
55.05505	4.7
56.96571	6.5
57.03438	4.6
59.89209	2.7
61.02926	6.4
62.82486	2.5
67.05505	4.9
68.99787	5.0
69.03429	27.7
69.07076	14.4
70.06603	4.5
71.04987	7.3
71.60091	3.6
73.02908	7.5
79.05486	13.1
81.03411	28.5
81.07065	16.3
84.96037	2.9
85.02418	4.8
85.02901	66.7
87.00833	29.6
91.03995	3.9
91.05479	8.9
93.07028	26.2
95.04974	9.2
95.08607	9.9
97.02892	39.5
97.06535	25.5
98.97539	2.6
99.04447	14.6
105.01866	35.9
105.07017	10.6
106.47742	2.6
107.08591	31.3
109.02866	23.7
109.06510	4.4
109.10138	6.8
116.98640	3.1
117.01859	3.2
119.08574	4.2
120.08057	4.5
121.10133	31.3
123.11734	12.4
127.03915	49.6
129.01834	4.1
133.10130	10.1
134.99644	2.7
135.04395	3.1
145.04965	26.5
145.10094	3.8
147.11673	3.6
149.13258	100.0
159.02901	11.5
161.02324	2.9
163.02716	2.4
163.03845	15.0
165.12794	9.7
167.14330	17.4
173.02400	5.4
173.04630	2.7
177.03853	2.8
180.65372	2.8
215.07057	12.4
231.05002	10.2
237.02701	2.8
253.11012	3.0
259.09689	28.3
271.12134	8.6
288.05789	4.2
295.12036	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.5
54.31883	1.7
54.48598	1.5
54.55856	1.6
55.01862	12.0
55.05503	2.8
57.03420	6.8
61.02916	6.2
67.05495	2.2
68.57272	1.6
68.99780	3.8
69.03078	2.1
69.03426	30.3
69.07053	10.7
70.06576	1.9
70.78573	5.0
71.04984	14.1
73.02901	7.7
75.80252	1.7
79.05484	8.6
81.03416	33.3
81.07050	5.3
83.04946	3.1
85.02901	91.9
85.06509	2.2
87.00829	37.9
87.04455	20.2
91.05482	3.5
93.07046	15.5
95.04990	2.8
95.08599	6.8
97.02886	43.3
97.06530	35.9
99.04464	15.0
105.01862	52.9
105.07008	6.7
107.04909	1.8
107.08591	29.9
109.02876	50.2
109.20576	1.5
111.04433	3.5
113.05995	20.9
115.03924	13.8
117.01788	2.5
119.08597	2.4
121.06495	1.7
121.10131	16.4
123.08009	2.7
125.09629	14.1
127.03914	70.7
129.01801	4.6
131.08568	4.4
133.04990	2.4
135.08018	2.0
137.05968	2.9
139.11162	42.0
139.99286	1.9
145.04959	22.2
149.09607	17.6
153.01788	4.1
159.02873	8.3
167.10674	100.0
167.33440	1.7
174.66106	1.6
179.10597	1.9
179.41576	1.6
185.11726	23.8
189.04034	2.8
213.03983	8.7
231.05017	17.5
235.09601	2.1
249.05994	2.8
275.12717	3.1
287.05496	32.5
288.05832	69.8
288.15887	2.0
289.05893	2.0
293.13754	2.1
450.11334	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	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47905	0.7
53.03939	2.9
55.01867	9.1
55.05494	4.0
57.03432	12.9
57.07073	1.0
61.01152	0.8
61.02924	2.2
67.05502	10.4
68.99786	1.7
69.03429	14.9
69.07066	4.8
70.06589	8.4
71.05000	7.8
71.59912	1.2
71.60320	0.8
73.02924	3.7
73.06539	0.9
79.05484	8.6
81.03426	14.3
81.07060	14.3
83.08614	4.6
84.08153	1.7
85.02903	33.4
85.06541	14.2
86.09709	3.4
87.00830	14.3
87.04453	1.1
91.05470	4.2
93.06466	1.3
93.07043	19.7
95.04954	1.4
95.08607	27.3
97.02884	10.2
97.06528	65.8
97.10142	0.8
99.04446	5.3
105.01862	8.8
105.07032	3.0
107.04964	1.1
107.08598	19.5
109.02870	10.9
109.10166	5.7
111.08084	2.4
113.09655	1.1
115.03912	1.0
118.06853	0.8
119.04973	0.9
119.08593	2.4
120.08128	0.9
121.10147	8.7
122.99388	0.7
123.11707	7.9
127.03916	20.5
129.01845	1.6
130.06490	0.8
131.04881	1.0
131.08563	1.7
133.02776	1.5
133.10132	1.2
136.06213	1.4
137.05954	5.2
142.07829	0.7
143.08522	1.0
145.04942	6.5
145.10191	1.6
147.04462	0.8
147.11743	0.9
149.13254	59.6
150.13582	1.3
153.01863	1.3
159.02919	6.1
159.04027	1.0
159.11673	1.5
161.02411	0.9
163.03883	1.5
163.07628	1.0
167.14311	50.9
168.14665	1.3
177.12813	1.0
179.06969	0.9
184.35999	0.7
185.15367	100.0
186.15678	1.6
195.06483	1.4
215.07022	2.0
223.07556	4.7
224.07843	7.0
231.05025	2.4
243.16934	0.8
253.18004	0.8
259.09738	4.2
275.16315	1.0
280.06842	1.8
287.05463	1.9
288.05835	2.9
293.73465	0.8
298.04379	1.3
314.09033	1.0
370.07648	1.0
379.17654	0.9
388.08984	14.1
407.16562	0.8
423.47009	0.9
450.09018	3.8
450.25961	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.8
57.03428	16.6
57.07058	13.0
65.71424	3.7
66.23462	3.6
67.05225	3.4
67.05511	41.8
69.07064	18.4
69.60147	19.3
69.60561	9.2
71.08591	6.8
79.05473	12.0
80.12974	2.9
81.07059	47.6
83.08609	13.4
91.05468	8.1
93.07032	9.6
95.08602	32.5
97.10172	3.8
98.98480	17.9
103.15969	3.3
105.06998	4.0
107.08587	7.8
109.10150	11.8
113.00019	100.0
118.06261	3.1
123.11693	5.5
135.11656	4.1
136.99982	17.7
149.13258	5.3
155.01021	14.4
163.14764	3.4
169.02599	37.9
184.21246	3.5
187.03671	5.5
211.03535	5.2
245.22502	6.2
253.17612	3.4
263.23630	9.8
313.27457	15.7
337.27350	99.3
449.26691	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	449.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
67.05486	0.5
69.28811	3.8
73.12794	0.3
79.05477	0.6
81.07045	0.7
83.08648	0.4
91.05472	0.5
93.07048	1.0
95.04951	0.7
98.20724	0.7
105.07068	0.4
107.08604	0.5
119.08582	0.6
125.25727	0.3
129.06982	0.4
133.10139	0.4
145.10197	0.5
149.02373	0.4
185.83667	0.3
219.10983	0.4
253.13116	0.6
271.13959	2.0
287.05429	1.9
431.27502	8.9
449.28726	100.0
450.29071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01860	0.8
56.96560	0.5
57.03429	0.5
60.04533	0.4
61.02925	0.6
64.93594	0.4
65.89246	0.4
68.99797	0.4
69.03432	2.3
70.06580	0.9
70.13863	2.1
71.04958	0.4
72.08148	0.5
73.02898	0.8
78.04704	1.6
79.05492	0.9
81.03420	3.0
84.04510	1.0
84.08164	0.4
85.02902	6.1
86.09695	1.1
87.00822	1.7
87.05571	0.4
87.09656	0.4
95.04958	0.6
96.05756	0.3
97.02885	2.1
98.06064	0.4
98.97555	0.9
99.04460	1.1
102.05551	0.5
105.01851	1.3
106.04188	0.7
107.04882	0.4
108.04476	1.1
109.02875	3.0
116.07111	0.4
116.98631	0.9
117.01886	0.4
120.08061	0.7
123.04430	5.3
124.05202	1.6
126.05531	0.9
127.03918	3.8
129.01807	0.4
134.99744	0.4
145.04922	1.8
145.23100	0.4
146.99593	0.4
151.03883	0.9
152.04697	1.6
155.06963	0.5
159.02913	1.4
167.07037	100.0
168.07349	1.3
179.03397	2.8
180.03801	0.5
199.23354	0.4
230.06569	0.4
231.04916	0.7
237.02739	0.8
248.07672	0.7
288.03656	0.5
288.10712	0.7
396.13031	0.4
427.07526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	25.3
56.96564	23.5
57.03441	41.0
57.07078	39.8
65.80958	5.3
67.05499	69.1
69.07058	26.3
69.91178	35.6
69.93021	6.1
71.08628	26.3
79.05479	21.0
81.07059	66.7
83.08623	16.2
85.10207	9.0
91.05483	16.4
93.07041	20.2
95.08611	52.7
97.10140	6.8
98.98474	54.5
105.07049	9.9
107.08585	16.5
109.10162	28.3
113.00021	100.0
119.08586	10.1
121.10154	15.6
123.11759	7.1
123.24906	5.5
131.08539	6.9
133.10120	6.5
135.11714	6.7
137.00011	51.9
137.13213	6.7
139.43222	5.9
145.10172	11.3
146.07086	5.7
147.11674	12.2
155.01036	64.2
157.10059	6.8
169.02638	26.6
175.50609	5.9
187.03682	7.0
193.02681	6.6
211.03606	11.3
233.68169	6.2
241.11082	16.0
253.11070	33.4
257.10818	6.7
259.12143	46.8
263.23801	7.0
271.12146	88.4
287.05487	56.1
294.13745	19.7
297.78619	6.0
313.27396	45.8
337.27380	88.5
449.26324	77.9
473.03458	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	449.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.1
56.04783	0.2
56.05034	2.7
56.96560	0.2
57.00235	0.1
57.03423	0.3
58.06598	2.1
59.90571	0.1
60.15699	0.1
67.01871	0.7
67.05493	0.2
68.05007	0.2
68.99780	0.5
69.03426	0.4
69.07054	0.7
70.00742	0.5
70.06593	1.4
72.04506	0.2
72.08163	0.5
73.05292	0.2
74.06075	11.5
75.04500	0.1
79.05466	0.2
81.03394	0.3
81.07030	0.2
82.06576	0.1
84.04496	2.2
84.08122	0.4
85.02912	0.5
85.07662	0.2
86.06068	0.2
86.09700	9.2
88.03985	0.4
88.82649	0.1
89.03942	0.1
91.05477	0.1
93.07009	0.1
94.06587	0.1
95.04929	0.2
95.08586	0.1
96.04487	0.2
96.08111	0.3
97.02887	0.1
97.06447	0.1
98.06060	0.9
98.97583	0.1
100.07648	0.1
101.07145	0.6
102.05517	0.1
107.04929	0.4
109.02845	0.3
111.04412	0.1
111.05558	0.3
111.09175	0.2
112.03973	0.3
112.07597	2.1
112.11204	0.3
113.07122	0.8
116.07070	0.1
116.98611	0.2
117.03383	0.2
120.08110	0.3
123.04453	0.1
124.03934	0.2
124.07558	0.2
124.11237	0.2
125.05968	0.3
127.03928	0.2
129.01862	0.2
129.10196	0.1
130.06535	0.2
130.08633	6.1
131.08257	0.2
134.42258	0.1
134.99661	0.1
135.04407	2.0
137.02341	0.9
137.05945	0.3
139.08664	0.9
140.07011	0.3
141.05481	0.2
141.06583	2.1
141.13770	0.1
142.12204	0.2
143.11836	0.1
144.10226	0.1
146.11749	8.2
147.04306	0.1
152.10606	0.1
153.01822	5.1
153.05513	0.6
153.06618	0.2
154.02158	0.2
154.06189	0.2
157.07695	0.1
157.09723	1.3
159.07590	0.5
161.02368	0.5
161.05971	0.1
162.39424	0.1
167.08163	0.5
169.13336	0.7
171.02885	1.0
172.13313	0.3
175.10773	1.9
177.05348	0.1
179.03406	0.3
185.09319	4.4
187.14407	1.9
196.10863	0.2
197.12752	0.2
203.03470	0.1
203.07239	0.1
203.10274	1.4
213.05321	0.2
214.11893	0.5
215.13872	0.4
224.10297	0.2
229.05011	0.1
229.15463	4.9
230.05392	0.1
237.02678	0.1
240.11327	0.1
240.13387	0.4
241.04904	0.6
241.11855	0.2
242.11349	0.6
245.04613	0.1
247.16515	8.9
252.17056	0.3
257.04376	0.1
258.05121	0.2
258.14526	0.2
259.05551	0.3
263.14276	0.2
265.24680	0.1
268.12903	0.4
269.04489	0.5
273.18253	0.1
286.04752	0.2
286.13977	3.7
286.17221	0.2
287.05475	100.0
288.05820	7.4
288.09103	0.2
296.06418	0.1
299.05502	1.1
300.06158	0.7
304.14899	0.2
311.05261	0.2
312.19131	1.0
313.06921	0.3
325.07187	0.2
329.06497	1.1
330.06488	0.2
339.08545	0.2
348.21176	0.2
352.18445	0.2
353.06406	0.2
359.07776	0.2
369.21387	0.1
383.07498	0.3
387.22366	0.8
395.07666	0.2
399.22330	0.2
413.08679	0.4
413.23843	1.3
416.98108	0.1
427.02191	0.1
431.09573	0.7
431.25137	0.3
449.10681	1.4
449.17908	0.5
449.26633	0.1
450.10788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75124	0.2
55.05481	0.2
56.96562	24.2
67.05495	0.3
68.38894	0.2
69.84483	0.4
69.84885	1.0
71.94928	0.2
71.95264	2.5
72.96050	1.5
74.97591	0.7
81.07021	0.4
84.96002	0.4
91.05460	0.2
92.98642	0.4
94.51202	0.2
95.08630	0.4
97.96830	0.5
98.21458	0.4
102.97145	0.2
105.00125	0.2
105.06994	0.5
107.08589	0.2
110.97569	0.4
119.08562	0.3
121.10063	0.2
121.22204	0.2
123.01183	0.5
125.95626	0.2
128.98595	0.8
137.02713	0.8
141.02211	0.4
146.47185	0.2
146.99638	0.8
151.04300	0.3
155.03795	1.2
165.00688	0.2
167.03792	0.4
169.01752	0.3
169.05356	1.0
173.04814	0.4
177.05829	0.2
179.07365	0.3
183.06886	0.3
187.02768	0.3
195.06900	0.6
197.08485	0.7
204.25987	0.2
205.09016	0.2
207.10632	0.2
213.07993	0.3
217.07373	0.3
223.09956	2.9
225.11548	0.4
229.07335	0.5
235.09976	3.1
241.11098	22.9
242.11337	0.3
247.08401	0.2
253.11096	44.5
254.11462	0.8
259.12170	49.2
260.12567	0.7
261.12711	0.2
264.12738	2.9
269.10471	0.3
271.12152	100.0
272.12500	1.7
276.12717	2.7
277.13229	0.6
282.13766	3.7
285.13925	0.4
287.05432	1.6
289.13220	7.6
294.13748	15.1
295.14163	0.6
299.15338	0.4
305.15091	0.2
312.14767	1.0
449.25681	19.8
450.25952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.95180	0.1
53.65879	0.1
55.01857	0.2
57.03426	0.2
59.62908	0.1
67.01852	0.4
67.05499	0.3
68.99789	0.4
69.03414	0.3
69.07052	0.2
70.06575	0.2
70.66660	0.5
71.04980	0.2
79.05481	0.2
80.36214	0.1
81.03384	0.4
81.07041	0.4
83.49265	0.1
85.02883	0.6
86.09710	0.4
87.00820	0.2
90.37525	0.1
91.05470	0.3
93.07053	0.4
95.04967	0.2
95.49198	0.1
97.02850	0.2
102.26340	0.1
105.01865	0.2
105.07009	0.3
105.46490	0.1
107.08562	0.2
109.02879	0.2
117.03371	0.2
119.08562	0.2
120.08063	0.1
121.10114	0.3
127.03893	0.4
129.01868	0.2
131.08531	0.3
133.10114	0.2
135.04417	1.6
137.02348	0.5
147.11562	0.2
153.01825	4.6
157.10037	0.2
161.02354	0.7
171.02875	0.6
173.13329	0.2
175.08777	0.2
179.03371	0.2
199.03883	0.2
207.04639	0.2
214.58360	0.2
241.04970	0.5
247.77103	0.1
269.04282	0.4
271.05914	0.2
287.05481	100.0
288.05807	2.7
449.10699	2.0
449.16736	0.2
449.30887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80389	0.6
67.05471	1.8
69.03399	0.9
71.60184	0.9
71.62860	0.6
79.05486	1.1
81.03421	0.9
81.07016	2.4
84.08122	0.7
84.76801	0.7
85.02900	1.3
86.09696	3.2
91.05447	1.5
93.07014	1.1
95.04913	1.1
95.08583	0.7
97.02915	0.8
107.08561	1.1
107.75099	0.7
119.08568	0.9
120.08128	1.2
120.39185	0.5
121.10114	1.6
123.04413	1.1
123.08008	1.0
127.03913	1.5
127.17548	0.7
131.08592	1.0
133.10077	0.6
145.10075	1.0
147.04349	0.8
159.11702	0.7
171.11592	0.8
177.74484	0.7
183.13737	0.6
185.04242	6.9
185.13403	0.6
187.41565	0.7
220.36049	0.8
221.05144	1.1
243.13539	2.3
253.62376	0.6
262.30579	0.7
269.08127	1.1
281.05270	0.6
287.05655	13.2
287.12524	100.0
288.05786	0.9
288.12735	3.5
305.13522	1.7
328.15222	1.1
390.15683	0.7
399.72778	0.8
449.17816	99.0
450.17987	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.1
66.50250	0.1
67.01868	0.6
68.99797	0.4
69.03416	0.1
70.06594	0.1
70.57779	0.1
70.58209	0.2
72.08123	0.1
74.25799	0.1
79.05489	0.1
81.03418	0.1
85.02895	0.1
89.03910	0.2
89.65627	0.1
97.02864	0.1
97.06535	0.1
97.49194	0.1
107.04945	0.5
111.00828	0.1
117.03372	0.2
125.47192	0.1
127.03864	0.1
129.01845	0.2
135.02135	0.1
135.04410	2.0
137.02353	0.5
143.03432	0.1
153.01826	5.3
157.06487	0.1
161.02335	0.6
171.02911	0.6
179.03384	0.2
185.05887	0.1
203.03401	0.1
208.43651	0.1
213.05385	0.2
219.06538	0.1
231.06418	0.1
241.04994	0.6
258.05115	0.1
259.06070	0.2
263.05460	0.1
269.04373	0.4
286.04620	0.1
287.05490	100.0
288.05829	3.1
352.62299	0.1
363.64417	0.1
449.10693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
67.01835	0.5
68.79619	0.1
68.99776	0.3
69.03400	0.4
69.52390	1.2
73.85020	0.1
77.13509	0.1
78.58855	0.1
85.02869	0.6
89.03900	0.2
93.06947	0.1
94.10486	0.2
117.03364	0.3
118.67793	0.1
129.01830	0.3
135.04411	2.1
137.02313	0.6
141.25790	0.1
149.97591	0.1
153.01831	5.5
161.02312	0.6
171.02904	0.8
179.03391	0.4
213.05605	0.2
241.04936	0.6
269.04422	0.5
286.04672	0.2
287.05496	100.0
288.05841	2.4
449.10812	20.9
450.10931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
56.96570	1.3
57.03434	3.3
66.41931	1.3
67.05500	1.4
69.03381	1.4
69.71488	8.4
70.01233	1.2
70.06582	2.6
71.04995	25.8
81.07098	1.4
81.20337	1.2
85.02905	22.8
86.09712	2.7
93.07050	2.2
121.02895	1.5
123.20137	1.2
127.03999	1.5
129.05498	5.3
134.99644	1.2
135.04408	1.7
137.02345	3.0
153.01816	6.9
154.15807	1.3
201.05403	1.6
229.05031	2.4
257.04486	1.6
287.05511	100.0
288.05835	4.1
303.04993	78.0
304.05270	2.1
425.45313	1.3
449.22354	1.6
453.27347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.30966	0.1
56.05957	0.1
66.15363	0.1
67.01865	0.5
68.99787	0.3
70.75908	0.4
81.54749	0.1
89.03916	0.2
96.47312	0.1
117.03368	0.2
125.08995	0.1
135.04436	1.9
137.02339	0.6
153.01825	6.3
161.02338	0.6
171.02887	0.6
179.03337	0.5
195.04390	0.2
203.03326	0.1
213.05524	0.3
228.24420	0.2
241.04996	0.4
244.54118	0.1
269.04553	0.7
287.05490	100.0
288.05829	2.8
449.10843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80117	5.0
55.01857	13.1
55.05507	13.4
56.05018	6.2
56.96555	16.9
57.03426	13.2
57.07063	7.5
59.04997	6.8
60.04514	14.4
61.02923	9.9
63.11981	5.0
67.05505	27.8
69.03423	47.4
69.07068	53.2
70.06596	26.6
71.04978	12.5
71.34507	7.5
71.34840	6.0
72.08151	10.6
73.02908	9.4
75.84233	5.1
79.05495	26.8
81.03412	25.7
81.07056	36.8
82.06581	5.5
83.04974	14.5
83.36116	4.5
84.04498	15.7
84.08133	15.5
85.02898	79.5
85.06538	13.3
86.09698	32.4
86.60793	4.9
87.04453	10.2
87.10001	5.3
91.05486	22.8
93.07044	33.5
95.04951	10.1
95.08598	41.5
96.08147	7.0
97.02866	25.6
97.06520	19.2
97.10200	7.7
98.97603	10.2
99.04444	11.7
102.72306	4.7
102.85429	5.1
105.07012	22.3
107.04964	12.5
107.08578	31.5
108.08109	11.7
109.02836	8.9
109.06509	23.8
109.10126	26.5
110.09672	10.3
111.08083	10.0
112.07645	6.7
113.05974	6.7
116.98578	7.8
119.08574	34.4
121.06473	10.2
121.10151	51.2
123.00803	12.1
123.08059	19.1
123.11697	9.1
124.03961	9.4
127.03899	21.2
128.06961	5.7
130.06573	6.7
131.08571	15.9
133.06461	8.5
133.10121	31.6
135.08017	8.5
135.11649	15.2
136.07526	5.9
137.09616	21.9
139.11211	7.5
141.01855	8.3
143.08688	6.0
145.04936	7.5
145.10106	20.2
147.04384	8.4
147.11655	26.6
149.09579	39.5
151.07600	8.1
151.11160	8.4
159.11638	10.8
161.13255	28.5
163.11215	19.1
165.12769	12.1
169.01295	24.2
176.14355	16.1
179.14380	9.7
181.12215	14.4
182.08238	7.0
183.10245	6.8
187.11118	6.1
188.14388	6.3
189.11240	6.2
189.12694	31.5
191.14346	10.8
203.10991	58.1
206.15427	8.1
207.13771	42.8
211.08615	10.8
212.09422	34.5
213.10175	12.3
223.12218	7.4
225.10307	6.6
225.14816	29.0
227.12773	5.9
233.15404	13.2
240.12607	9.0
241.13329	13.9
241.17064	9.7
242.17545	9.1
250.18108	12.1
261.09741	8.2
268.16144	6.7
268.19061	16.7
269.12854	100.0
273.78763	5.6
277.14609	19.0
286.16714	9.1
286.20190	34.6
287.05417	25.3
287.13885	44.2
298.10580	7.0
323.60547	6.5
404.22916	6.3
410.99371	5.8
430.24216	33.7
448.12006	7.0
448.18915	22.9
448.25302	55.6
449.22958	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	448.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
51.02380	1.2
53.03948	2.5
55.01886	0.5
55.05503	0.4
56.96537	0.4
57.03427	1.2
59.04992	0.4
65.03942	1.0
67.05499	0.9
69.03429	7.0
70.06597	3.3
70.58970	1.5
72.08159	0.7
72.86239	0.4
73.02896	0.5
78.03454	11.1
79.04303	0.4
79.05498	1.5
80.05014	2.4
81.03422	15.3
81.07060	0.5
84.04501	0.9
84.08141	1.4
85.02905	6.9
85.06525	0.4
86.09726	2.7
87.10048	0.5
89.03916	5.7
91.05468	3.1
93.03389	0.6
93.07045	0.6
95.08620	0.8
96.04493	6.3
97.02895	4.6
98.97575	0.5
99.04471	3.3
105.07011	0.6
106.02919	46.4
107.04945	2.5
107.08591	0.5
109.02127	0.5
109.02877	8.9
109.03574	0.6
111.04430	2.9
111.08023	0.4
116.98611	0.5
117.03382	7.0
119.04945	1.1
119.08553	0.5
120.08132	0.7
124.03956	100.0
125.04298	0.9
127.03916	5.7
129.10257	0.7
134.99724	0.5
135.04422	18.9
137.05974	15.2
139.03922	7.1
140.19466	0.4
145.02849	11.2
145.04907	0.7
149.02411	0.4
151.03793	0.4
163.03908	70.3
164.04266	0.5
166.05023	0.8
181.04944	3.5
196.06126	0.9
202.05035	0.6
237.02908	0.6
250.07123	22.4
251.07143	0.6
268.08160	71.9
268.26349	0.8
269.08224	0.9
287.05493	3.0
388.48157	0.4
404.13168	0.5
430.11356	19.4
448.12537	0.6
448.32416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03949	3.4
55.01872	0.9
56.05016	0.6
57.03421	1.6
61.02928	1.0
65.03920	0.6
69.03426	9.4
69.65761	3.6
70.06578	1.1
71.04988	1.0
72.08131	0.5
73.02893	0.9
78.03451	13.5
79.05485	1.6
80.05005	2.2
81.03416	16.8
83.04946	0.6
85.02907	8.4
85.93221	0.5
86.09707	1.1
89.03909	4.8
91.05489	1.5
91.76543	0.5
93.07024	0.8
95.04942	0.8
95.08557	0.6
96.04482	8.2
97.02898	5.9
98.21471	0.9
99.04456	3.6
105.07007	1.1
106.02911	54.6
107.03220	0.6
107.04946	2.5
107.08591	1.8
108.08952	0.8
109.02872	11.1
111.04411	1.0
117.03371	6.4
119.08589	0.8
121.10188	0.6
124.03950	100.0
127.03909	7.6
133.10153	0.7
134.10486	1.3
135.04413	19.0
137.05984	2.6
139.03845	2.5
140.72324	0.5
145.02840	10.6
145.04794	0.6
153.01782	1.0
162.10052	0.7
163.03900	65.0
164.04179	1.2
166.04919	0.7
181.04942	1.8
193.30711	0.6
196.06084	1.0
197.11717	1.9
198.12045	3.2
199.12364	1.7
200.12578	1.4
232.06049	0.8
250.07104	29.2
258.04861	0.8
266.68600	0.5
268.08154	54.5
269.08536	0.9
286.04611	1.5
287.05508	13.1
404.12885	0.6
430.11340	21.8
448.12274	13.3
448.18433	0.9
449.12250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.8
56.96568	10.6
57.03427	13.9
67.05499	75.3
69.07066	14.6
71.59272	13.3
75.80202	8.9
79.05488	37.1
81.03411	20.3
81.07060	69.0
83.04981	11.3
83.08602	15.3
84.84668	8.6
91.05486	28.2
93.07037	48.5
95.04967	26.5
95.08610	53.7
97.10162	13.3
101.75730	8.4
102.42136	9.3
105.07038	30.9
107.08601	30.5
109.10159	26.0
112.91969	9.8
113.00016	82.9
117.07023	12.1
119.08613	26.5
121.10138	13.6
131.08546	22.0
135.11682	24.1
142.33798	9.1
145.06506	14.1
145.10094	18.7
147.11655	9.5
149.02370	45.4
159.11700	17.6
161.13251	13.1
163.14967	8.4
169.02625	29.9
187.03690	13.0
193.04950	14.7
201.88011	8.9
243.21068	11.6
261.22067	23.3
335.25806	97.7
349.16891	24.4
367.17874	24.6
426.07755	10.0
447.18201	18.5
447.27463	33.8
448.09207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54403	1.3
53.03946	2.6
55.01871	13.4
55.05510	46.5
57.03436	54.7
57.07079	15.3
57.96938	1.5
61.05312	1.4
63.50388	1.4
67.05502	29.8
69.07066	48.8
70.22623	5.2
70.23032	3.1
71.08621	6.9
73.02901	1.7
74.55702	1.6
79.05487	15.8
81.07053	36.6
83.04970	2.5
83.08617	37.7
85.10162	2.6
86.66069	1.6
91.05480	8.5
93.07050	18.8
95.04981	1.9
95.08604	22.4
97.06533	5.4
97.10173	20.3
98.20842	1.8
98.98465	71.2
98.99118	3.6
104.57417	1.4
105.07016	4.5
107.08610	11.3
109.10149	9.7
111.08086	1.9
111.11739	7.2
112.99214	2.1
113.00013	37.6
113.00739	3.1
116.99508	3.2
119.08602	3.2
121.10149	16.6
123.11716	3.7
133.10149	3.0
135.11681	10.4
136.99986	75.1
137.13243	2.4
144.50339	1.4
145.10112	2.9
147.11682	2.6
149.02364	3.5
149.13257	4.8
155.01035	68.3
159.11697	2.8
169.02634	12.5
173.13261	1.8
174.63171	1.5
175.14836	1.6
187.03638	4.5
193.02660	13.2
193.04314	2.1
199.04051	1.5
211.03664	10.5
219.21085	1.9
237.22107	16.1
237.24220	2.1
243.21146	4.5
261.22092	9.1
311.25778	52.0
311.29199	3.3
317.24603	1.9
325.07681	1.7
335.25769	25.2
447.25040	100.0
448.25235	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01859	8.3
55.05514	16.8
56.96553	7.6
57.03440	16.3
61.02923	31.2
67.05498	26.4
69.03429	22.1
69.07063	15.6
70.06586	3.1
71.01331	12.1
71.04973	9.6
71.59779	3.6
72.80536	2.6
73.02903	11.5
73.03258	2.5
79.05489	29.0
81.03416	100.0
81.07047	29.6
83.04974	21.4
83.08617	26.7
85.02423	3.4
85.02904	44.5
85.06529	8.6
86.09695	8.8
87.04457	3.5
89.21883	2.3
89.45063	2.9
91.03951	12.4
91.05456	31.2
92.07232	2.3
93.07039	22.9
95.04974	35.4
95.08617	16.2
97.02883	28.4
97.06522	10.9
97.10140	4.0
99.04439	7.6
99.08074	3.0
101.02373	6.9
101.27532	2.5
105.07017	26.9
107.04917	14.2
107.08572	14.8
109.02877	7.8
109.06491	5.6
109.10159	7.2
111.04436	7.0
111.08096	17.7
116.98637	2.9
117.07011	4.1
119.08579	22.1
120.08101	3.6
121.06498	4.7
121.10151	16.9
123.04409	3.6
123.08022	3.2
123.11726	5.6
127.03896	19.9
128.06184	3.1
129.05475	8.6
129.06993	10.2
131.08583	13.7
133.06531	2.9
133.10130	17.7
134.99721	3.5
135.08099	2.6
135.11684	5.2
137.02257	2.6
137.09621	4.3
142.07748	2.9
145.04959	4.4
145.10141	6.3
147.08014	5.0
147.11691	18.2
149.01215	3.5
149.02324	4.0
149.09624	9.1
155.10654	4.9
157.10094	16.4
159.11572	3.0
163.03902	5.1
163.11140	5.2
163.14760	4.0
165.12700	3.7
173.02289	3.6
175.11148	16.5
180.07210	2.9
181.12225	8.6
189.12688	3.4
193.12230	87.8
199.13269	36.4
199.17010	4.5
211.13281	61.7
217.04639	2.7
227.12657	3.6
229.14391	5.6
252.09390	9.2
252.59421	3.3
257.04492	7.1
263.14133	2.6
267.13614	2.7
267.15942	29.1
271.06012	44.5
285.13989	5.2
285.16959	63.3
287.05521	10.2
309.16971	4.4
333.06537	4.7
355.15424	3.6
358.79437	3.0
375.17798	2.7
393.19321	2.6
429.20541	7.3
447.21097	3.2
447.29224	3.3
453.92963	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04729	0.4
71.06770	0.9
87.96651	0.4
100.83563	0.4
185.04219	3.0
203.45883	0.4
218.01413	0.3
241.11992	2.5
283.07831	1.2
285.10974	100.0
286.11295	1.7
303.11877	1.1
326.13620	0.7
380.93683	0.6
428.47235	0.4
447.16281	60.7
448.16684	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84210	1.8
53.03936	11.7
55.01864	8.8
55.05509	19.3
56.96560	4.6
57.03181	2.8
57.03436	35.8
60.88543	1.6
61.02924	76.2
67.05501	34.8
68.32955	1.8
69.03071	3.1
69.03426	40.9
69.07043	8.6
70.66150	7.5
71.01346	6.0
71.04988	11.0
73.02919	32.9
78.03437	3.4
79.05489	42.3
81.03414	98.5
81.07049	38.4
82.75700	1.9
83.04974	23.2
83.08616	25.2
85.02901	100.0
85.06535	3.9
86.09702	2.6
87.04478	4.7
91.03954	41.7
91.05472	56.8
93.07039	28.7
95.04960	37.2
95.08612	17.9
96.04463	2.5
97.02274	3.8
97.02890	59.8
97.06528	7.2
97.10182	2.6
99.04460	11.2
99.08067	2.5
101.02374	15.6
103.03920	3.2
105.07024	32.5
106.02915	12.7
107.04953	12.4
107.08570	12.4
109.02876	20.7
109.06513	8.4
109.10178	3.7
111.04427	5.6
111.08076	14.8
113.05986	2.8
115.03924	5.9
115.05437	4.0
117.05489	2.3
117.07039	5.3
119.08567	28.8
121.06484	4.9
121.10124	15.0
123.08036	4.4
123.11691	4.1
124.03953	27.8
127.03908	29.7
129.05513	3.7
129.06993	16.2
131.08551	17.3
133.06511	2.3
133.10139	26.2
135.04417	5.5
137.09569	2.7
142.07791	6.0
145.04967	8.8
145.10104	4.2
147.08035	5.2
147.11690	20.9
149.09604	9.4
151.11153	2.6
152.93326	1.9
157.10117	26.9
163.03903	18.8
163.11160	3.3
165.12767	7.0
169.10126	1.9
171.06631	3.5
175.11174	31.3
181.05135	2.3
183.06506	4.5
189.12723	2.8
193.10428	4.4
193.12228	91.2
198.12085	2.5
199.12181	2.4
201.07550	3.4
203.03400	3.6
207.63869	2.1
209.66544	2.1
211.13278	82.3
223.94743	1.8
238.12190	1.9
249.14857	2.3
250.07027	6.2
252.09363	15.3
252.59576	7.4
253.09630	5.2
255.90179	2.0
257.04437	20.2
267.15872	13.2
268.08206	9.1
271.06015	15.5
285.03802	5.1
285.10141	3.8
285.16946	68.0
286.04785	2.7
313.16400	2.2
361.21039	1.9
411.20227	2.8
429.21036	3.7
430.11026	3.7
447.16608	2.9
447.22076	12.7
448.12210	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76576	0.5
53.03954	0.8
55.05495	0.5
56.96521	0.6
58.44788	0.5
59.05001	39.4
61.02906	0.7
69.03432	2.6
69.58263	0.9
69.58672	3.1
73.02919	0.6
73.06540	0.8
78.03433	1.8
79.05489	1.0
80.04984	0.6
81.03424	4.1
81.07034	0.6
83.04987	0.6
85.02895	2.1
86.06016	0.5
86.09690	1.8
87.04458	2.1
89.06030	25.9
96.04487	1.3
97.02866	2.2
99.04434	0.6
103.07581	29.7
105.03413	1.0
105.07030	0.9
106.02923	8.8
107.04961	2.8
107.07050	1.3
107.08570	1.4
108.08928	0.7
108.11422	0.5
109.02876	2.2
116.98650	0.6
123.03554	0.9
123.04424	13.3
124.03953	32.6
124.43566	0.5
124.45151	0.5
125.04282	1.0
127.03907	2.0
131.07069	0.7
133.02840	9.9
133.03793	0.7
133.08601	17.9
133.10161	2.0
135.04401	1.4
135.11623	0.6
147.10156	11.5
151.03894	4.1
171.27667	0.5
174.87740	0.5
177.11237	5.9
179.03391	100.0
179.10576	1.1
180.03722	5.0
180.10968	1.0
181.04996	0.9
197.11736	3.7
198.12070	3.3
221.13857	0.7
250.07132	1.5
257.04404	3.3
260.08780	0.6
268.08148	19.9
269.08426	1.5
271.06024	1.5
285.03940	1.0
285.16827	0.6
301.09280	0.5
325.07431	0.7
429.26917	4.8
446.10794	44.7
447.11093	5.2
449.97098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
55.05507	8.1
56.96548	8.1
67.03143	3.1
67.05494	11.0
69.07071	4.5
69.51811	3.1
79.05490	14.5
81.03402	13.4
81.07043	16.5
85.02895	5.9
86.09709	5.0
91.05485	11.4
93.07037	12.4
95.04941	5.8
95.08613	9.7
97.06525	6.4
99.08121	3.7
105.07027	10.3
107.04951	5.3
107.08597	9.2
109.06510	3.6
109.10172	6.4
111.08079	3.3
117.06984	4.0
119.08574	10.2
121.10152	6.4
127.03909	4.1
129.06949	5.6
131.08542	5.6
133.10110	6.4
138.72780	2.6
143.08606	4.1
145.10078	5.2
149.02356	7.2
149.09715	3.4
157.10106	4.8
159.11668	4.9
163.03886	3.5
165.09119	9.5
166.09384	4.2
169.10083	4.2
171.02647	4.3
171.11639	4.4
179.08826	2.7
185.04204	3.1
200.03017	5.2
201.03737	5.7
216.02420	15.0
218.99648	3.1
225.00052	3.8
226.03168	3.5
227.03937	5.5
229.03204	6.7
230.04068	5.1
231.04855	17.3
233.02654	3.2
237.00659	4.2
238.03146	4.4
240.00969	3.9
242.00429	3.8
245.06517	3.4
252.06496	9.6
255.03497	41.6
256.04175	4.7
257.02621	12.4
257.05057	7.3
259.04395	14.9
266.02634	7.7
266.08185	24.1
269.99789	22.1
270.05847	27.4
272.07294	4.8
273.05801	4.3
280.06143	8.3
282.07797	14.0
283.02927	9.9
284.03699	3.9
285.02136	35.5
285.04678	6.0
286.01718	2.8
294.07544	40.3
295.08347	15.8
295.99994	3.1
298.05322	49.4
299.06097	12.3
300.06921	76.4
303.03195	20.7
311.02496	7.8
326.04446	30.8
328.06378	99.4
333.06393	5.3
337.08243	33.9
344.05856	100.0
351.07361	4.1
354.04257	6.8
383.08765	62.3
390.06104	4.3
390.57391	3.1
395.08817	15.7
396.09290	3.6
401.07773	3.9
403.09503	3.8
429.07639	26.7
447.08499	47.7
447.27899	4.7
457.40695	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	446.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03947	0.7
55.90429	0.2
59.05018	0.9
67.05495	0.3
67.49252	0.2
68.04986	0.2
69.03432	1.6
69.61957	0.4
69.62363	1.1
70.06594	0.4
72.22247	0.2
76.02217	0.3
77.03927	0.4
78.03454	2.0
80.05010	0.5
81.03410	2.4
83.01304	0.2
84.04488	0.3
85.02927	1.1
86.09708	0.7
89.03888	0.3
89.06062	1.0
94.52859	0.2
95.04940	0.4
96.04501	1.0
97.02903	1.2
99.04449	0.4
103.07568	0.8
105.03390	0.6
106.02918	9.2
107.04954	0.7
109.02885	1.7
117.03355	0.4
123.04435	12.0
124.03956	35.5
125.04333	0.4
127.03931	1.0
133.02853	10.8
133.08617	0.4
134.03148	0.2
135.04399	1.6
149.02254	0.2
151.03905	4.5
153.42715	0.2
177.11224	0.2
179.03397	100.0
180.03719	1.3
241.07491	0.3
250.07146	1.6
260.08829	0.3
268.08170	18.0
269.08646	0.3
302.10052	0.4
446.10831	39.3
447.11029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56278	1.9
55.05510	10.3
56.93536	2.1
67.05500	3.5
69.07067	14.3
69.32824	2.2
71.34950	2.7
71.35302	2.8
81.07040	6.5
83.08615	9.8
91.05477	2.3
95.08600	5.1
97.10184	4.5
107.08569	3.1
109.10154	5.8
119.08563	3.9
123.11671	2.3
135.11766	2.5
137.09598	5.6
149.09599	8.5
154.69539	1.8
163.11206	10.8
165.09108	100.0
175.11148	2.5
177.09146	4.7
182.73515	2.4
189.09076	3.2
191.10587	4.8
199.11223	4.3
200.26118	1.9
203.10640	3.9
205.12241	6.8
211.03943	2.0
219.13763	2.0
242.40894	2.0
259.84973	2.1
311.89255	2.1
427.35428	5.4
445.19751	2.6
445.29611	2.3
445.37018	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	445.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01866	11.8
55.05514	26.6
56.96560	3.3
57.03422	7.7
61.20288	3.5
67.05505	28.0
69.03431	31.4
69.07064	18.0
71.04980	7.6
71.60400	4.0
79.05495	24.6
81.03419	45.9
81.07058	38.6
82.82624	3.3
83.04967	21.4
83.08621	6.0
85.02905	14.9
85.06535	5.5
91.05475	13.5
93.07022	24.7
95.04948	15.4
95.08620	27.2
96.93632	3.9
97.02910	11.7
97.06530	11.0
97.10177	5.1
98.97572	4.2
99.04477	6.7
103.03938	3.9
103.05470	7.5
105.07040	11.4
107.04971	5.1
107.08604	14.3
109.02873	42.8
109.06526	4.9
109.10144	10.8
110.03677	4.3
111.04437	43.1
111.08073	4.4
114.15068	3.6
115.05454	18.9
117.07017	10.3
119.04955	4.6
119.08574	10.6
121.06490	7.0
121.10145	13.4
123.04421	100.0
123.11702	4.0
125.09650	5.9
127.03896	34.7
128.06148	3.7
129.06987	22.8
131.04921	12.3
131.08540	10.6
133.06497	7.1
133.10146	12.5
135.11737	4.6
137.02359	5.7
137.05988	12.6
137.09601	4.4
139.11159	5.7
141.06987	14.8
143.04890	7.4
143.08583	8.8
145.04829	4.0
145.06459	18.9
145.10152	9.1
147.04419	14.1
147.08009	4.9
147.11728	5.1
149.05984	19.4
153.06970	3.8
155.08540	10.3
157.06454	32.3
157.10107	6.4
159.08073	14.9
159.11694	8.7
160.05177	7.7
161.05974	38.6
161.09615	4.9
163.03946	3.9
163.07555	14.7
163.11215	4.1
165.06967	6.9
165.09117	9.7
166.07704	3.7
167.08580	7.5
169.06462	11.3
169.10104	4.4
171.08076	11.5
171.11699	4.6
173.05963	69.3
173.07335	5.6
173.09583	6.0
175.07532	39.1
177.09125	4.5
179.08493	4.6
181.06477	9.8
183.08084	12.3
184.05289	3.5
185.05962	28.3
185.09657	7.7
187.07532	56.5
189.05449	17.0
189.09087	11.0
193.12091	4.3
195.08063	15.5
197.05977	31.8
197.09653	7.4
199.07596	34.7
201.09163	16.4
203.07024	12.2
203.08775	4.2
207.08083	8.8
209.09639	6.9
211.07581	18.9
211.11269	4.4
213.05498	11.2
213.09213	17.4
213.14796	5.3
215.07097	21.9
215.10638	5.8
221.09769	4.2
223.07556	10.8
225.09137	13.7
227.07144	6.3
227.10681	6.4
229.08641	7.9
231.06528	11.5
235.11322	4.7
237.09099	10.2
239.07112	7.8
239.10692	8.8
241.08589	4.4
253.08578	6.4
253.12315	3.9
263.10471	3.5
265.08783	5.1
267.13669	4.5
271.09470	4.9
281.15186	8.2
283.09634	3.6
283.16861	5.4
299.16412	12.8
301.17969	11.4
307.16812	4.2
311.16333	4.0
317.17511	10.7
325.17960	37.8
329.17456	5.1
341.17365	6.3
343.19241	5.9
345.17029	4.0
349.17801	5.9
355.18890	4.1
359.02783	4.6
363.19400	8.4
365.17667	4.1
367.18787	20.6
373.17661	4.3
381.20660	10.8
385.19879	7.7
391.19144	20.9
409.20221	29.8
427.21164	47.4
445.22095	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	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01866	1.8
55.05510	0.8
57.03417	2.3
57.07083	0.8
59.04994	0.7
61.02932	0.9
67.05507	1.6
68.99773	1.1
69.03434	8.5
69.07044	1.6
70.06587	1.3
71.04992	1.1
71.35986	0.9
73.02891	1.0
79.05474	1.8
81.03413	5.5
81.07042	2.1
85.02902	16.3
86.09693	10.5
87.00840	5.2
87.04497	0.7
91.05424	4.8
93.07033	7.5
95.04967	2.7
95.08596	1.5
97.02892	5.5
99.04444	2.7
105.01874	3.3
105.07027	6.9
107.04945	1.4
107.08585	18.4
109.02861	4.5
109.06497	1.1
109.10139	1.7
119.08540	3.0
119.11937	0.8
119.95042	0.8
121.06479	2.1
121.10086	0.7
123.04395	1.3
123.11772	1.1
127.03913	9.5
133.10126	20.2
135.11688	19.1
137.05933	1.2
143.11742	0.8
145.04871	1.7
145.10172	0.7
149.02368	0.8
151.11168	2.2
153.05492	0.7
159.02785	0.9
161.09616	10.8
162.07613	0.8
163.11237	1.0
171.11362	0.8
179.03409	1.1
179.10657	34.0
181.04921	1.4
181.08504	0.8
197.11720	100.0
227.12796	2.9
231.05075	2.1
237.14371	1.3
246.14894	2.8
246.65092	1.7
248.14607	1.1
259.08481	1.1
275.15802	1.3
283.15411	1.1
359.02744	0.7
394.51599	0.8
468.57269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01846	1.0
55.05498	0.9
56.05014	0.3
56.96561	0.7
57.03416	1.2
57.74993	0.3
59.41376	0.3
61.02917	1.0
67.05487	1.0
68.99776	0.6
69.03427	6.6
69.07029	0.6
70.06574	1.4
71.04980	1.3
71.19042	0.6
72.08152	1.5
73.02899	1.5
79.05476	2.6
79.40475	0.3
81.02978	0.5
81.03416	5.7
81.07031	2.0
83.05005	0.4
84.08117	0.6
85.02902	11.2
86.09705	4.1
87.00821	4.4
87.04493	0.4
91.05386	2.6
93.07043	4.8
95.04945	0.7
95.08611	1.7
97.02894	3.6
97.06510	0.4
99.04443	1.8
103.03905	0.6
105.01870	3.2
105.07021	5.7
107.04948	0.7
107.08593	26.0
109.02873	5.7
109.06510	1.2
109.10136	1.7
111.99005	0.4
116.98639	0.5
117.01849	0.6
117.07018	0.8
119.04945	0.3
119.08581	4.6
120.08116	0.4
121.06509	1.2
121.10133	5.0
123.08057	0.6
123.11671	0.7
127.03920	8.3
129.01849	0.7
130.04962	0.3
131.08565	0.8
132.10211	0.4
133.06451	0.5
133.10130	17.1
135.11661	1.4
137.05966	1.0
137.09592	0.8
139.07516	1.3
143.08543	0.6
145.04935	1.6
145.10100	0.6
147.04430	0.7
147.07957	0.4
149.06015	0.7
149.09608	3.3
151.03961	0.4
151.07646	0.7
151.11174	5.3
153.05467	0.5
159.02873	1.5
161.09625	5.0
163.03743	0.6
167.05634	0.6
167.07053	0.3
167.09308	0.6
167.10675	10.4
172.72668	0.3
173.13045	0.5
179.03375	0.4
179.09212	0.3
179.10660	13.4
197.11725	100.0
198.12105	1.0
201.12283	0.4
207.10069	0.4
213.03976	1.5
231.04971	2.6
239.12769	0.4
329.10989	0.4
359.02798	0.4
427.15958	1.2
445.16919	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	444.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01925	1.2
55.05513	1.3
67.01571	1.1
67.05493	2.1
69.03421	1.6
70.06593	7.1
71.20849	2.9
73.07504	1.2
80.52863	1.3
81.07054	8.9
84.08150	1.6
85.02898	2.1
86.66661	1.3
87.84760	1.2
91.05470	8.8
93.07049	4.7
95.08606	2.1
105.07023	17.1
115.82133	1.2
116.19865	1.3
117.07007	9.5
117.57982	1.2
117.86926	1.3
119.08572	15.3
125.57670	1.1
128.06201	2.1
128.45294	1.1
129.06932	2.0
130.07791	2.7
131.08571	57.4
133.10114	2.8
137.12982	1.5
143.08549	46.1
145.10118	100.0
147.11682	3.8
155.08530	3.9
157.10118	1.6
163.07581	1.9
173.09868	2.4
173.13258	93.0
175.14809	3.6
183.11734	9.8
189.09113	2.2
191.10680	3.3
201.12756	9.8
203.14346	1.4
211.11133	1.8
219.13788	85.4
229.12283	11.8
247.13300	12.2
265.14435	5.0
265.18063	1.3
332.74725	1.2
444.18506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05493	1.2
56.05041	1.0
56.96540	1.5
60.93058	1.0
65.03910	1.0
67.05491	2.1
69.03411	2.0
69.07073	1.1
69.58421	6.5
70.06573	3.1
71.79396	0.9
72.08145	2.3
73.02901	0.9
74.09730	1.0
79.05486	2.0
81.03409	1.5
81.07047	2.7
83.04971	1.1
84.08129	1.6
85.02909	2.2
86.06038	0.9
86.09711	10.3
91.03926	1.2
91.05390	1.7
91.05861	1.7
93.07045	2.1
95.08597	3.9
97.02883	1.2
97.06519	0.9
98.21479	2.3
99.04418	1.1
105.07004	1.2
107.04928	2.3
107.08558	2.6
109.02879	1.3
115.12608	0.8
116.98573	1.3
120.08096	1.3
121.06442	0.8
121.10129	1.0
123.08102	0.9
129.06982	2.1
131.04839	1.4
131.08527	2.3
133.03459	1.5
133.10146	1.3
135.05116	1.0
135.11636	2.5
139.07440	0.9
143.08490	1.4
145.10101	2.4
147.04370	1.5
149.02289	1.3
159.08012	3.0
161.02968	1.7
163.11174	2.3
167.05548	1.0
181.04889	1.0
184.04552	1.1
193.03046	1.1
196.99635	3.2
197.09720	2.1
199.05956	2.1
209.06566	3.5
217.07123	15.0
221.06633	1.9
227.12737	6.2
228.04132	1.0
233.06532	3.6
235.08148	77.7
236.08430	1.4
239.09114	1.6
247.08224	1.4
249.09727	6.1
250.06807	1.6
251.07506	1.9
255.08621	1.0
257.10229	13.7
258.07349	4.1
258.09879	2.0
259.08185	4.6
261.06174	1.4
271.08096	2.2
273.09766	8.2
275.11282	49.7
276.11490	1.7
283.15366	1.2
289.09183	4.3
291.10635	5.1
293.12314	3.9
298.12854	2.6
301.09180	3.4
319.04886	1.9
337.05875	35.6
351.07227	1.1
355.06961	100.0
356.07059	5.1
359.02737	2.2
359.13800	2.4
360.07495	8.9
373.08014	4.8
378.08749	6.8
422.07520	9.2
445.20749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.8
57.07060	7.2
57.13998	6.5
59.06123	15.6
61.12487	6.1
67.05498	40.9
69.03419	19.5
69.07067	68.1
69.47618	39.1
69.48025	16.6
71.04987	11.0
79.05487	26.2
81.07058	78.6
81.44086	6.6
83.08633	13.8
85.06535	66.2
85.07664	8.5
91.05476	24.6
93.07045	61.9
95.08604	95.6
97.06512	15.1
97.10159	18.0
105.07063	38.7
107.08592	86.2
108.50652	6.9
109.06529	6.5
109.10160	100.0
111.11726	9.2
115.42334	6.4
119.08596	43.6
121.10140	54.0
123.08028	7.4
123.11678	27.3
125.09630	18.7
131.08572	12.8
131.47940	6.4
133.10123	31.1
135.11708	42.8
137.13190	12.0
145.10126	19.6
147.11678	29.3
149.13242	26.1
155.22769	5.8
159.11656	19.8
161.13248	25.3
163.14835	23.8
171.11647	7.2
173.13257	14.3
191.17963	15.8
203.17917	17.7
205.19527	13.6
208.32216	6.6
217.19585	35.2
311.47427	7.4
369.64331	7.6
401.54181	9.0
425.38028	11.2
443.33929	30.6
443.38840	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42112	0.3
55.01868	0.5
55.05502	0.4
56.05027	0.6
56.96570	0.6
57.03436	0.7
58.66200	0.3
59.57793	0.3
60.04532	0.4
60.05651	6.5
62.06081	0.6
64.44217	0.3
67.05504	2.0
68.16745	0.3
69.03427	1.9
69.06712	0.6
69.07063	8.1
70.06591	22.8
70.66908	0.3
71.04992	1.1
71.18245	0.7
71.18582	0.4
72.04524	0.4
72.08157	2.5
79.05476	1.8
81.03407	0.9
81.07050	3.1
82.06573	0.3
83.04984	0.7
83.08635	0.3
84.08144	1.4
85.02901	2.6
85.06518	0.3
86.09705	100.0
87.04454	0.3
87.10026	1.0
91.05501	2.3
93.07045	1.6
95.04980	0.9
95.08601	1.2
97.02892	1.0
97.06537	2.2
98.97580	0.8
99.04453	0.7
105.07040	2.0
107.04964	0.5
107.08582	1.2
109.02872	0.6
109.06535	0.8
110.70761	0.4
112.08740	3.7
113.07105	0.7
114.10332	0.8
115.08695	2.9
116.07088	9.0
116.98656	0.6
119.08584	2.0
120.08114	0.7
121.10146	1.0
123.11716	0.9
127.03896	1.0
128.10719	16.9
128.11671	0.6
129.06996	0.9
129.10214	0.9
129.11107	0.3
130.09770	2.8
131.08617	0.6
133.10034	0.8
134.99667	0.4
137.09680	0.4
145.04929	0.6
146.99716	0.5
147.11705	4.2
149.09586	0.3
153.39006	0.3
155.11804	0.4
156.10187	1.4
156.11314	8.8
157.10138	1.4
158.09253	6.7
159.07855	0.4
163.03972	0.5
165.12743	1.3
174.76433	0.3
175.11951	17.6
183.15010	0.5
187.10808	0.4
193.12215	1.2
213.04228	0.3
215.10309	0.8
219.01913	0.4
226.15508	0.6
229.14165	2.6
237.02812	1.2
254.14944	0.4
259.09714	0.7
269.18646	1.0
271.17636	7.9
281.10413	0.4
281.13190	0.8
285.16922	3.8
288.20303	1.1
299.11716	0.7
303.18011	6.5
323.11935	0.4
343.01230	0.4
365.13715	0.5
399.16483	0.5
408.17981	0.4
425.28717	0.6
443.16876	14.7
443.29770	87.8
444.17001	1.9
444.30212	3.0
461.16721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51686	0.6
55.01874	0.8
55.05498	1.1
55.93516	0.8
56.05042	3.3
56.96554	1.5
57.03434	0.7
58.06580	1.0
67.05496	1.8
69.03427	1.7
69.07062	4.7
70.06591	26.5
71.04989	0.7
71.59050	0.9
72.08145	2.7
72.93775	0.7
74.06079	15.5
77.77845	0.6
79.05499	2.0
81.03428	1.1
81.07058	1.3
83.04974	1.7
84.04505	2.3
84.08142	1.2
85.02906	3.6
86.06081	0.8
86.09705	100.0
87.10037	0.8
90.94807	0.9
91.05483	1.4
93.07030	1.5
95.04966	2.3
95.08587	2.2
97.02892	2.1
97.06534	2.1
98.97581	1.7
99.04424	1.1
105.07034	3.1
107.08620	1.0
109.06522	1.3
114.05551	1.1
116.07089	50.9
116.98651	1.7
119.08599	3.1
120.08164	1.3
121.10140	1.2
123.08057	1.1
125.09639	0.8
127.03913	1.4
128.06187	0.6
129.06996	0.7
130.04936	0.8
131.08560	1.3
131.16290	0.6
134.99652	1.3
135.08083	1.1
135.11794	0.9
136.06218	1.9
136.07553	1.3
138.09142	0.6
141.07011	0.7
142.08673	1.7
142.12277	0.8
143.08575	1.3
145.10121	1.2
147.11653	1.7
149.09604	1.2
153.10223	1.1
158.99681	1.1
161.09697	0.6
161.13358	0.8
169.09781	0.7
169.13493	0.7
171.11662	2.1
172.12053	2.6
176.96945	2.5
181.09877	1.3
185.09401	0.8
199.10826	6.8
199.18051	23.9
200.11446	1.2
200.18350	0.7
201.12299	0.7
205.08636	0.9
207.13841	1.3
213.08850	0.7
215.13966	2.9
217.11835	46.8
217.94945	0.6
218.12523	2.3
221.02705	1.0
227.10266	3.4
227.17540	25.1
229.15674	0.6
234.98938	0.8
235.10730	0.7
237.02745	1.2
246.12067	1.5
246.14818	1.0
249.02573	0.6
259.09808	0.9
263.12619	0.9
264.16064	1.1
281.06808	0.9
281.13736	1.4
282.17328	0.7
284.19632	2.0
310.21326	0.6
312.19370	1.9
323.14908	0.7
328.22275	15.8
340.18576	1.5
356.65106	0.7
383.14218	1.2
399.10590	1.1
399.16302	1.2
405.93604	0.7
425.27563	5.4
443.19156	16.6
444.19693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26049	2.1
55.05505	4.4
55.34488	2.0
56.96296	4.4
56.96565	60.1
59.50437	1.7
67.05501	2.7
67.53204	1.9
68.28299	1.7
69.07075	3.7
70.06554	1.8
70.98117	5.5
71.59136	2.2
79.05433	2.3
81.07052	7.1
83.08597	4.9
84.96026	1.8
88.99151	3.0
91.05463	2.7
93.07024	4.5
95.08580	2.6
98.97583	7.9
105.07028	3.7
106.07339	2.0
107.08614	2.3
109.10194	2.9
116.98602	11.6
119.08577	4.3
123.11720	3.2
127.34902	1.8
128.98604	2.3
131.08594	2.1
133.10129	2.5
134.99681	12.9
153.00674	2.7
153.01846	4.9
157.01732	3.4
159.03296	4.8
167.03972	2.5
171.03297	2.5
173.04878	5.6
187.06438	3.2
189.04399	2.6
189.07965	6.2
191.05984	2.7
199.06328	3.6
201.08022	3.4
205.07582	2.3
207.09082	3.7
211.06358	4.5
213.07930	4.5
215.09521	4.6
217.07458	3.3
225.07948	3.6
229.07468	9.5
237.07935	6.1
239.09573	5.9
243.09019	15.4
247.08565	2.6
251.09517	18.0
255.09036	9.2
257.10565	4.2
261.10077	12.3
265.11102	12.6
269.10590	69.1
273.10065	3.9
278.10480	2.2
283.12146	65.0
287.11713	8.2
292.12140	7.4
301.13101	5.8
301.21622	2.3
306.13733	6.7
311.05392	5.7
313.16461	2.5
333.17429	13.4
339.18436	10.2
351.18430	58.2
357.19321	6.4
365.20160	21.2
369.19513	13.4
374.20084	9.7
383.21060	23.3
406.22339	3.7
425.15952	6.3
443.17218	7.8
443.23065	100.0
444.22952	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	443.1888
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.05511	2.5
56.96566	1.2
57.12852	0.8
61.02940	0.9
67.05490	3.2
69.03434	2.4
69.07055	2.2
70.62502	2.7
71.04958	1.0
73.02923	1.2
79.05482	3.9
81.03422	1.4
81.07043	3.7
83.04996	1.1
85.02927	4.8
85.03383	0.8
86.09689	1.0
91.05461	3.9
93.07051	3.2
95.04970	1.4
95.08593	3.5
96.79801	1.0
97.02877	2.2
97.06519	1.7
99.04469	0.9
105.07039	3.8
107.08611	1.3
109.06513	1.3
109.10165	2.6
116.98666	0.9
119.08549	2.8
121.10130	1.7
123.08034	1.1
127.03875	1.5
129.07054	1.1
131.08563	1.9
133.10146	2.0
135.08038	1.1
137.09662	1.2
143.08614	1.4
145.10109	1.6
147.11697	2.5
159.11618	0.9
161.13287	0.8
165.09042	4.0
167.03162	1.7
169.10316	0.7
171.11732	2.2
207.13826	1.7
207.90138	0.9
211.02100	10.2
214.34271	0.8
223.90962	0.8
237.02896	0.9
237.14613	10.3
281.17542	1.9
309.16705	2.0
353.03989	0.8
381.18860	2.4
383.16483	1.1
425.17801	26.0
425.26352	1.1
443.18869	100.0
444.19000	1.4
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
53.03937	1.2
55.01867	2.0
55.05494	4.0
56.62986	0.9
56.96554	1.6
57.03438	6.4
61.02918	9.2
66.15582	0.8
67.05507	1.2
69.03425	17.2
69.07052	1.3
70.06582	6.9
71.04980	3.4
71.13700	2.0
72.08139	3.6
73.02911	3.9
79.05500	1.0
81.03421	8.1
81.07056	2.5
83.08626	4.7
85.02903	100.0
85.06573	1.1
86.09699	6.7
87.04478	2.6
91.03975	5.2
91.05474	2.2
93.07038	2.0
95.08599	2.5
97.02886	25.4
98.57880	0.9
98.97588	1.8
99.04430	4.7
101.09621	1.7
103.03913	1.3
105.07018	1.6
106.87283	1.1
107.04964	1.3
107.08594	1.9
109.02882	7.1
109.10101	1.1
111.08080	3.4
113.09653	1.3
116.07106	2.0
116.98680	1.4
117.07008	1.2
121.06640	1.3
121.10096	1.1
123.08083	1.6
127.03902	25.7
128.20496	0.9
128.98604	1.1
129.09132	1.1
131.08569	1.7
133.02834	1.0
133.06483	1.0
133.10223	1.7
134.03165	1.1
135.08081	1.2
137.05989	1.3
139.07622	1.3
143.08569	1.7
145.04956	44.9
145.10173	1.6
147.11740	1.0
151.07542	1.1
152.07056	1.0
159.07898	1.2
163.06046	16.2
171.11705	4.1
173.13287	1.1
183.74722	0.9
193.04967	4.4
194.05243	5.0
199.11211	2.0
209.11740	1.5
213.03082	0.9
217.12169	3.6
227.12799	1.3
228.13425	2.9
231.72638	0.9
237.02855	1.6
245.11610	1.6
245.13824	1.5
246.07866	0.9
263.14993	2.2
281.13846	1.3
442.19241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.96571	1.9
61.02930	1.1
63.16171	0.7
64.26345	0.7
64.90493	0.7
65.71048	0.7
67.05486	1.9
69.03434	4.5
69.54688	5.1
70.06583	2.1
71.04968	0.7
72.08156	0.9
76.02197	0.6
79.05487	4.2
81.03398	1.7
81.07053	4.1
84.08144	1.1
85.02905	9.3
86.03232	1.1
86.09685	1.3
91.05480	7.7
93.07044	2.4
95.04975	1.0
95.08607	1.2
97.02869	3.6
98.97569	1.2
99.04442	0.9
103.05463	1.2
105.07011	4.8
107.04956	1.9
107.08553	0.8
109.02872	1.3
115.05425	3.6
116.07070	0.9
117.07017	4.4
119.04955	2.7
119.08573	2.3
121.06509	1.0
127.03912	2.1
128.06213	2.7
129.06996	9.4
129.10214	0.8
131.04904	1.3
131.08562	2.7
133.10147	1.0
135.07971	0.7
141.06975	7.3
142.07761	3.6
143.04875	0.9
143.08572	7.7
145.04959	1.3
145.06480	1.4
145.10144	3.8
147.04405	3.2
147.07994	1.3
153.06989	8.0
154.07729	1.3
155.08539	14.4
155.09702	1.2
156.09319	1.7
157.06473	5.5
157.10104	6.1
159.04422	0.8
159.08046	1.7
161.05899	0.9
161.89799	1.0
165.05583	1.7
165.06979	18.5
166.06352	1.5
166.07767	30.3
167.08481	1.6
168.09357	4.5
169.10124	1.4
171.08022	4.2
171.11690	8.9
173.09610	3.1
174.10143	2.2
175.10725	1.0
179.08560	1.4
181.10110	100.0
182.10460	1.1
183.08105	1.3
183.11687	8.2
184.08856	1.5
185.05986	2.9
185.09575	1.7
187.11166	0.8
191.10396	0.8
197.09579	1.1
198.90057	0.8
199.07472	2.4
199.11171	14.4
199.77551	0.7
201.12643	1.1
203.07170	0.8
209.09645	4.4
215.10619	1.1
217.08621	2.9
217.12212	2.6
227.10661	36.8
233.11659	1.0
237.02654	1.0
245.11711	23.0
263.12784	7.6
279.12155	3.5
280.12564	6.8
375.27750	0.9
442.17798	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35638	1.7
53.89062	1.8
55.05527	1.9
58.11406	1.7
60.80581	1.7
61.81499	2.0
69.03420	2.3
69.56171	13.5
69.56573	2.8
74.51772	1.9
79.05499	3.9
81.07038	4.9
88.57820	1.6
91.05476	7.2
93.07040	2.6
100.59826	1.6
102.29391	1.6
103.05483	2.1
105.07038	16.0
115.05457	4.4
117.07035	10.0
119.08605	5.1
128.06259	6.3
129.07024	19.0
130.07832	2.4
131.08585	12.3
133.06494	2.9
137.87970	1.7
141.06995	2.9
142.07765	5.3
143.08546	52.2
145.10101	14.0
155.08617	3.3
156.09319	13.6
157.10143	4.6
161.05991	7.0
161.09570	2.1
165.06955	1.9
166.07887	3.8
171.08006	4.8
171.11681	100.0
173.13277	3.4
181.10103	13.9
199.11179	43.7
217.12253	68.6
227.10698	3.8
245.11748	21.1
259.23865	1.8
263.12836	2.0
344.97818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03943	2.8
55.05514	15.0
57.07067	4.2
67.05508	25.6
69.07069	24.6
70.12262	6.4
70.12679	5.8
70.41972	2.3
74.90735	2.4
79.05498	16.3
79.64557	2.2
81.07063	53.4
83.08620	9.2
90.73883	2.2
91.05489	15.3
93.07050	37.6
95.04967	5.8
95.08609	100.0
96.08997	2.8
96.49989	2.6
97.06494	4.3
97.10142	5.2
98.21402	2.8
102.62740	2.2
105.07038	33.2
107.04996	2.6
107.08598	53.1
109.06515	4.1
109.10163	47.7
111.08082	20.3
117.06963	4.8
119.08584	38.5
121.09303	4.0
121.10142	44.6
123.08071	3.1
123.11731	18.6
125.09633	4.9
129.06967	3.2
131.08583	12.5
133.10127	34.8
135.11714	34.8
137.09583	5.0
137.13260	8.6
139.11186	11.1
143.08533	4.8
145.10109	20.2
146.99591	2.4
147.11673	24.0
149.13248	24.5
151.11113	4.1
151.14803	3.0
157.10159	4.8
159.11681	23.2
161.13251	22.1
163.14822	16.9
165.12758	3.4
170.10980	3.0
171.11687	6.7
173.13307	15.5
175.14842	19.6
177.16446	14.1
185.13268	4.0
187.14854	16.4
189.16402	20.8
191.17926	7.5
193.15948	6.8
195.17435	9.0
199.14864	4.0
201.16422	14.1
203.17961	26.7
207.17499	7.3
213.16396	3.8
215.18037	14.8
217.19487	13.0
219.17412	5.7
221.19058	3.2
227.17952	6.3
229.19534	20.0
233.19006	10.4
235.20561	3.1
241.19550	3.4
243.21147	5.9
247.20557	9.6
253.19466	2.8
255.21126	3.8
257.22568	5.7
261.22165	5.3
269.22458	3.8
273.22180	4.0
275.23721	4.0
281.22522	2.7
283.24228	3.4
287.23816	5.7
301.25299	3.7
353.20584	3.2
369.31522	4.0
383.33273	4.0
423.13953	3.0
423.36404	31.0
441.15610	5.7
441.37741	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.04308	2.8
55.05506	16.0
56.96571	4.1
57.07079	7.5
59.04994	3.1
67.05504	29.4
68.48029	2.7
69.07068	20.4
70.15425	8.3
70.15826	4.9
71.08675	2.9
79.05501	14.0
80.46677	2.6
81.07053	52.8
83.04953	4.2
83.08621	9.4
85.06534	4.0
91.03934	3.3
91.05476	19.0
93.07042	35.7
95.08607	100.0
97.10138	3.6
98.21387	4.0
105.07038	32.7
107.08596	42.9
109.06523	4.0
109.10152	50.2
111.08089	14.2
117.07108	5.4
119.08581	49.7
121.10143	35.2
123.07997	4.3
123.11710	24.3
131.08585	14.4
133.10147	41.0
135.11685	24.8
137.13263	11.7
139.11185	7.0
143.08540	5.1
145.10123	23.6
147.11659	31.9
149.13249	20.5
151.11160	3.2
151.14784	3.7
157.10117	7.1
159.11685	20.9
161.13245	28.6
163.14816	14.2
171.11684	7.8
173.13274	13.8
175.14807	13.4
177.16365	11.4
183.11798	3.5
185.13174	6.4
187.14801	9.3
189.16408	14.5
191.18001	6.8
193.15790	3.7
195.17487	7.7
199.14868	7.3
201.16423	15.5
203.17952	28.9
213.16312	5.1
215.18037	10.2
217.19472	10.1
219.17413	5.4
221.19051	5.9
227.18002	7.6
229.08073	3.2
229.19478	10.2
233.18985	4.4
245.19121	4.4
247.20741	3.8
255.21024	5.2
257.22745	3.6
260.50092	3.5
269.22604	7.4
285.13696	4.1
287.05634	5.1
339.50772	2.9
346.67813	3.0
351.18594	5.5
369.19601	4.8
397.34753	3.8
405.35135	4.5
423.14169	4.5
423.36359	27.3
441.15344	3.8
441.37692	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03928	2.7
54.04854	2.3
55.05508	10.0
67.05506	23.9
69.07063	16.6
71.60747	3.2
79.05483	13.0
81.07054	47.9
83.08617	8.3
85.06539	4.1
87.31759	2.4
91.05505	14.5
93.07039	37.9
95.01722	2.5
95.08602	100.0
97.06528	3.3
97.10168	4.5
105.07040	25.3
107.08593	47.3
109.10146	42.3
111.08074	10.9
117.07015	4.9
119.08575	36.6
121.10156	31.1
123.08071	2.4
123.11706	16.2
125.09642	6.1
127.29488	2.5
127.31219	2.3
131.08574	10.3
133.10106	38.8
135.11671	29.3
137.13249	14.8
139.11165	8.2
143.08519	4.1
145.10120	20.9
147.11690	19.0
149.13243	13.3
157.10179	4.0
159.11670	20.8
161.13248	14.7
163.14813	15.9
170.49214	2.5
171.11700	4.0
173.13251	12.0
175.14813	14.5
177.16402	11.9
185.13266	4.5
187.14801	8.4
189.16310	14.5
191.18004	4.5
193.15936	2.6
195.17471	11.5
199.14844	4.8
201.16397	9.4
203.17926	18.1
207.17467	11.3
211.05032	2.6
213.16376	11.9
215.17918	11.6
217.19566	9.8
219.17494	7.0
221.19067	4.5
227.17964	7.2
228.18794	7.1
229.19412	14.8
233.18974	15.2
243.21106	3.3
247.20477	4.2
257.22656	2.9
264.65411	2.8
273.22144	4.6
286.78922	2.8
295.58722	3.1
411.36215	4.0
423.36325	38.0
441.37665	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	441.3728
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05510	9.1
57.07066	2.3
67.05508	23.3
69.07067	13.5
69.63164	10.8
79.05487	13.4
81.07054	39.8
83.08607	5.8
88.28057	1.4
91.05479	10.8
93.07043	36.7
95.04967	1.9
95.08606	100.0
96.08910	1.5
97.10156	3.2
98.21531	1.7
99.08018	1.3
105.07032	24.0
107.07858	2.3
107.08594	51.4
109.06501	3.5
109.10159	53.2
111.08073	17.0
111.11700	2.0
117.06982	2.3
118.31129	1.2
118.57812	1.3
119.07790	2.7
119.08587	32.6
121.09422	1.2
121.10143	33.0
123.08097	1.5
123.11707	18.6
125.09634	7.5
131.08562	5.7
133.09111	1.9
133.10132	39.1
135.10669	2.9
135.11682	43.5
137.13260	9.5
139.11188	6.7
143.08560	4.0
145.10118	12.9
147.11693	19.4
147.78500	1.4
149.09584	1.3
149.13245	20.5
151.11201	3.0
151.14816	1.4
153.12701	3.4
157.10112	5.0
159.11690	14.0
161.13242	15.2
163.14828	10.7
165.12782	3.4
171.11671	4.5
173.13258	9.3
175.14844	10.4
177.12883	1.3
177.16423	9.1
183.11743	1.6
183.94809	1.2
185.13179	3.0
187.14839	8.3
189.16344	8.9
191.17931	3.9
193.15913	6.7
195.17421	7.2
199.14890	3.6
201.16452	7.8
203.17958	14.6
203.85924	1.3
205.15886	1.6
207.17441	5.2
211.14819	1.4
213.16402	5.0
215.17911	7.8
217.19481	7.7
219.17436	7.5
221.18974	2.9
227.17886	5.8
229.19514	11.1
231.17366	2.1
233.18968	3.7
235.20543	1.6
239.18015	1.5
241.19543	2.9
243.21129	3.2
245.19038	5.8
247.20546	11.8
255.21092	2.9
257.22641	8.4
259.20526	2.7
261.22116	4.9
269.22635	2.8
271.20532	2.0
271.24146	1.4
273.22226	6.1
275.23706	3.9
283.24228	2.4
285.22272	1.6
287.23590	6.4
299.23651	2.4
301.25320	3.3
383.32794	3.2
405.35278	3.0
411.36118	3.4
423.36230	24.4
441.37405	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	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03944	3.2
55.05499	11.5
57.07075	5.9
59.70497	2.7
67.05506	23.7
69.07067	15.4
70.00209	14.4
79.05483	16.2
81.07056	49.8
83.08612	6.9
91.05478	9.0
93.07047	37.7
95.04932	4.3
95.08607	100.0
103.09649	2.7
104.10758	3.5
105.07034	30.1
107.08595	52.6
109.06537	5.3
109.10162	47.4
111.08078	26.3
117.07026	4.7
119.08585	33.3
121.10142	46.1
123.11705	24.0
125.09702	3.2
131.01982	2.7
131.08560	10.0
132.29031	3.0
133.10136	33.4
135.11688	28.5
137.13255	8.5
139.11159	9.6
143.08563	3.8
145.10141	20.0
147.11691	24.7
149.13251	23.8
151.11295	2.7
151.65176	2.8
157.10085	4.4
159.11687	19.4
161.13260	27.6
163.14825	20.2
165.12737	2.9
171.11670	6.5
173.13257	20.0
175.14807	19.2
177.16376	16.0
185.13261	5.7
187.14841	10.7
189.16370	20.1
191.14288	3.7
191.17958	8.0
193.15886	5.4
195.17377	9.5
199.14743	3.1
201.16393	11.5
203.17929	23.8
205.15991	3.9
207.17485	9.3
207.98816	3.0
213.16405	4.7
215.17929	17.5
217.19577	10.5
219.17462	7.9
221.19005	8.2
227.17880	6.5
229.07347	3.1
229.19487	21.5
233.18965	8.9
245.18947	4.5
247.20560	10.6
255.20934	4.3
257.22702	5.7
283.24173	5.8
287.23676	4.3
287.72180	3.0
369.31503	4.4
383.33167	4.0
423.36340	33.4
441.37433	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.90984	3.0
55.05495	8.8
67.05498	24.8
69.07065	12.2
70.52039	2.9
71.12151	6.4
79.05470	12.2
81.07056	48.9
83.08607	5.4
91.05479	12.4
93.07035	38.2
95.08601	100.0
97.10165	5.6
105.07014	34.6
107.08590	51.3
109.10162	44.4
111.08075	19.4
117.06989	6.0
119.08583	40.5
121.10156	38.6
123.11716	20.4
125.09663	3.7
131.08582	8.6
133.10127	32.3
135.11688	26.2
135.54579	3.3
137.13264	9.1
139.11171	13.8
143.08635	3.3
145.10130	15.5
147.11697	24.7
149.13255	19.7
151.11169	4.8
156.57748	3.3
157.10150	5.3
159.11703	13.9
161.13225	18.8
163.14784	15.1
171.11641	3.3
173.13261	12.5
175.14790	9.8
177.16376	17.6
180.88489	4.0
184.08109	2.7
185.13176	3.8
187.14799	9.4
189.16408	15.7
191.17972	6.0
191.48337	3.3
193.15970	3.6
195.17393	9.1
201.16394	13.6
203.17976	24.3
207.17470	5.7
215.18018	15.9
217.19473	10.0
219.17427	7.7
221.18964	4.2
227.17879	5.1
229.19504	17.3
233.18907	7.4
241.19339	3.1
243.21175	4.5
245.18987	6.2
247.20607	11.8
253.48962	3.1
257.22552	8.3
261.22104	4.1
275.23758	3.9
287.23801	4.0
311.05457	3.8
405.35098	3.7
412.31042	3.4
423.36169	39.1
424.37082	3.3
441.28250	15.8
441.37408	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	441.2458
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.33373	0.3
53.03950	0.6
54.29696	0.4
55.05499	0.4
56.96556	0.8
67.05492	1.0
69.03418	1.0
69.07051	0.6
70.16091	1.8
81.07044	1.6
85.02895	1.6
86.09700	1.6
91.05466	1.6
93.07059	0.9
94.52970	0.3
95.04973	0.7
95.08595	0.8
97.02858	0.6
98.97553	0.4
100.11246	0.5
103.05479	0.5
105.07010	2.3
107.04929	0.7
107.08628	0.6
109.02826	0.6
109.10175	0.5
117.07038	0.6
119.08591	1.0
120.08108	4.6
121.10170	0.5
127.03917	0.8
128.10695	1.5
133.10100	0.6
134.09610	1.9
135.11697	0.6
143.08553	1.1
144.08055	0.9
145.10117	0.8
147.11658	0.5
159.11644	0.5
162.09125	4.6
170.92300	0.4
171.11720	0.9
199.11127	0.4
201.03694	7.1
203.05281	6.8
217.12318	0.8
225.09686	0.9
243.10713	1.2
245.06273	0.7
254.60004	0.4
261.18259	3.7
263.19836	11.2
275.17319	0.5
278.42053	0.4
279.16974	1.3
285.11798	1.0
289.05331	0.9
305.30237	0.3
321.18030	3.0
355.17166	1.9
357.18036	0.9
397.13641	0.4
397.18423	6.3
398.18536	0.4
441.17426	19.7
441.24521	100.0
442.17767	1.0
442.24908	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
54.55094	0.4
55.05508	0.8
58.61559	0.4
58.68087	0.4
67.05498	1.4
69.03422	1.3
69.07058	1.6
70.06573	0.8
71.04988	0.7
71.19662	0.5
74.21257	0.4
75.03098	0.4
79.05498	0.5
81.03419	1.1
81.07053	2.0
83.04986	0.9
83.08611	0.7
85.02909	1.1
85.06565	0.5
89.03894	0.6
91.05469	1.4
93.07038	1.2
95.04962	1.4
95.08600	1.7
97.02862	0.6
97.06543	0.8
97.78741	0.4
98.97556	0.5
99.04420	0.7
99.08096	0.4
105.07052	1.2
107.04910	0.4
107.08585	1.4
109.02889	0.5
109.06491	0.6
109.10157	1.4
117.03381	1.4
117.07072	0.5
119.08572	1.7
121.06475	0.5
121.10149	1.1
123.08133	0.9
125.09599	0.5
127.03947	0.8
129.05510	0.5
131.08601	1.0
133.10139	1.4
134.99611	0.5
135.04439	0.4
135.08032	0.8
139.07607	0.4
143.08543	0.8
145.02853	4.1
147.11682	0.9
149.06039	0.6
155.08598	0.6
157.10193	0.7
159.07919	0.4
159.11699	0.5
161.09656	0.5
161.13274	0.4
167.07361	0.4
169.64972	0.4
175.11176	2.6
175.14792	0.6
177.05466	7.1
177.16313	0.4
191.14406	0.6
193.15903	0.6
203.05260	5.2
209.74875	0.4
261.18204	2.4
265.15509	2.1
271.12384	0.4
279.19489	0.7
301.18195	0.4
321.18954	0.6
397.18701	0.6
438.73975	0.4
441.24631	100.0
442.25012	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	441.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01867	1.7
55.05510	15.2
56.96556	6.0
57.03432	3.6
57.07069	2.4
66.24391	1.6
67.05505	23.2
69.03431	29.4
69.07072	15.2
70.02950	8.6
71.04987	6.1
71.59755	2.6
79.05495	16.5
81.03388	3.3
81.07059	46.5
83.04981	4.6
83.08617	8.0
85.02916	13.6
85.06554	5.3
91.05476	16.4
93.07037	16.7
95.04968	3.6
95.08607	53.6
96.00840	7.8
97.02895	20.4
97.06537	12.2
97.10164	3.4
97.47563	1.4
98.75539	1.4
98.97567	9.5
99.08088	3.8
103.05424	1.7
105.07022	17.8
107.04959	3.4
107.08601	5.9
109.02873	3.3
109.06536	3.3
109.10150	7.3
111.08080	2.6
113.03491	100.0
113.09647	2.9
115.03932	11.8
116.98633	6.3
117.07029	2.5
117.85014	1.5
119.08591	17.9
121.10140	6.1
123.08042	4.9
128.06209	2.6
129.06967	3.4
131.00148	1.9
131.08560	4.8
133.10138	12.6
134.99664	5.0
135.08081	2.5
135.11708	5.2
136.03976	2.4
137.09717	1.6
137.13261	5.1
140.91951	1.4
141.07025	1.9
142.07787	1.9
143.08572	5.2
145.06491	2.2
145.10120	4.9
149.01213	4.1
149.09555	1.7
149.13329	1.6
151.07591	2.5
152.13513	1.5
157.06544	2.1
157.10080	2.6
158.99670	2.2
159.08122	2.2
159.11696	3.0
161.13252	29.2
165.09119	3.0
166.85939	1.5
169.10162	2.8
171.11732	4.9
173.11656	1.7
173.13174	2.1
175.11153	4.1
176.34746	1.7
177.00748	3.8
179.04480	7.6
179.14297	18.9
180.14868	1.8
185.09593	1.8
187.11281	2.0
191.02274	4.1
195.11595	2.1
197.09691	2.1
197.15381	5.3
201.00710	2.7
209.09651	2.1
209.15327	2.0
217.12192	1.6
219.01782	4.0
231.13948	1.5
234.41682	1.6
237.02815	4.2
237.09036	4.2
255.10092	1.7
257.15451	2.0
275.16367	6.2
293.17551	7.7
308.15637	2.7
311.18524	37.7
317.16107	1.6
329.19485	11.4
355.14200	5.8
373.15573	7.4
386.81668	1.5
395.19809	1.8
397.15311	3.1
405.20087	2.5
423.21313	7.8
441.20697	4.3
441.33838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21277	0.7
51.02371	0.8
52.90966	0.7
53.03941	1.6
55.01860	2.4
55.05508	4.7
57.03426	2.3
57.07065	1.5
59.04998	1.1
61.02914	2.1
67.05501	5.5
68.99786	1.4
69.03425	13.7
69.07066	12.7
70.89323	1.0
70.89664	1.8
71.04980	1.2
73.02914	1.5
77.03905	0.9
79.05496	5.2
81.03428	5.4
81.07058	8.0
83.04983	1.8
83.08613	4.2
83.82005	0.8
85.02906	19.2
85.06550	4.4
87.00833	9.1
87.04482	1.0
91.05468	7.5
92.25172	0.8
93.07043	13.7
95.04955	1.4
95.08602	19.6
97.02888	14.5
97.06543	2.0
99.04460	3.2
99.08086	1.3
101.02380	2.3
105.01862	8.5
105.07025	14.1
107.08594	23.8
109.02871	6.2
109.06511	2.0
109.10157	14.8
111.08089	3.3
113.02374	1.4
115.03943	1.9
117.01849	1.5
117.07015	2.9
119.08580	43.4
121.06488	1.3
121.10138	37.1
123.04415	1.0
123.08064	1.7
123.11684	2.6
125.02348	6.2
127.03912	11.8
129.01852	2.5
131.08554	4.8
133.10127	39.1
134.10890	1.0
135.08044	2.0
135.11661	8.1
137.09628	1.5
143.03381	2.3
143.08536	2.2
144.09351	0.9
145.04961	3.5
145.10114	9.5
147.08066	1.4
147.11685	11.5
149.09654	1.8
149.13240	4.1
151.68376	0.7
157.10100	2.4
158.10915	1.3
159.02873	3.1
159.11679	5.1
160.12271	0.8
161.04485	0.9
161.13268	10.4
161.50122	0.9
163.07472	1.0
163.11134	0.9
169.10213	1.0
170.10806	1.0
171.11636	1.1
172.12457	1.7
173.13315	4.6
175.14822	100.0
176.15187	2.9
177.16383	31.9
187.14824	8.0
189.16350	1.4
193.12077	1.1
193.15880	7.7
197.13226	0.8
201.09012	0.8
201.16400	0.9
205.15878	24.5
216.26222	0.8
217.15849	1.6
223.14897	0.8
227.14355	1.3
229.03493	1.6
229.15962	1.4
231.04948	5.9
247.04494	1.2
249.05920	0.9
259.16940	1.6
283.16992	3.5
301.18011	2.3
319.18756	1.4
361.19958	0.9
387.17892	1.3
397.18430	1.1
405.19144	2.3
423.20053	2.2
441.16907	4.4
441.22308	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	441.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
55.50618	0.7
56.96567	1.4
61.72055	0.7
65.94420	0.8
66.01566	0.7
67.05502	2.2
69.03446	0.8
69.07054	1.1
69.41990	1.7
69.42398	5.8
76.83411	0.9
79.05495	1.2
81.03407	1.1
81.07064	2.1
91.05482	1.5
93.07061	2.1
95.08608	2.4
98.97597	1.1
105.07037	1.9
107.04989	0.8
107.08583	2.3
109.10155	1.4
116.98537	0.9
119.08593	3.1
121.10121	0.9
123.11701	1.0
131.08592	1.2
133.10149	1.1
135.11649	1.0
145.06519	1.1
145.10141	1.7
149.09723	0.8
151.07660	1.7
161.09550	0.9
165.09135	0.9
185.04236	4.0
188.07724	0.9
237.13457	1.7
249.08977	0.8
255.14383	1.9
261.02951	0.8
279.15668	100.0
280.16000	0.9
290.71347	0.8
309.11285	0.8
311.81995	0.9
318.91553	0.9
319.09531	1.2
334.12137	1.0
352.13074	2.3
441.20969	65.1
454.62454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.202
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
55.05503	0.8
56.96555	0.5
63.02381	0.5
67.05497	0.9
69.03426	0.9
69.07079	0.4
70.06594	0.6
71.04963	0.4
71.60530	0.5
72.08154	2.4
78.04708	0.3
79.05505	0.8
81.03379	0.6
81.07056	1.5
83.08597	0.4
83.74938	0.3
85.02914	0.7
85.06550	0.8
86.09706	0.3
89.03917	6.0
89.10789	1.4
91.05484	1.1
93.07043	1.1
94.62394	0.3
95.04981	0.6
95.08601	0.8
97.02881	0.6
97.06485	0.7
98.97597	0.4
100.11247	0.7
105.07022	1.1
107.08581	0.8
109.02851	0.6
109.06532	0.6
109.10137	0.8
116.98628	0.4
117.03378	19.3
117.07058	0.5
119.08601	1.5
121.06480	0.5
121.10132	1.0
123.08057	0.4
127.03919	0.6
128.38943	0.3
129.07007	0.8
131.08556	0.8
133.06442	0.4
133.10120	0.7
134.03639	1.3
134.99597	0.5
135.04407	1.7
135.08011	0.6
135.11728	0.4
143.08522	0.5
145.02843	51.5
145.10080	0.7
149.05962	6.7
155.08530	0.4
157.10136	0.9
158.06024	0.4
159.11713	0.5
163.03838	0.6
171.11664	0.6
173.09680	0.4
175.11140	1.2
177.05466	100.0
178.05815	0.7
183.11592	0.4
186.05537	1.2
200.92351	0.3
217.12170	0.6
219.11925	0.4
237.02657	0.5
248.12801	3.3
258.07208	0.4
265.15463	30.0
266.15887	0.6
279.84052	0.4
291.13446	2.8
397.17755	0.5
432.91440	0.4
441.19568	2.3
441.24701	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84571	1.1
53.03920	1.6
55.01866	1.8
55.05503	2.0
57.03429	2.2
61.02913	3.7
63.00919	1.2
65.41451	1.0
67.05463	1.2
69.03429	15.9
70.02941	1.6
70.85446	3.0
71.04974	2.8
73.02901	3.2
76.02229	1.5
76.03986	1.4
77.33733	1.1
79.05478	3.0
79.20522	1.1
79.74265	1.1
81.03419	6.2
81.07050	3.3
85.02900	34.6
85.06549	1.6
87.04451	2.7
88.02221	2.7
91.03941	1.5
91.05441	5.9
93.07021	3.9
94.03254	1.1
95.04946	1.7
95.08607	1.9
97.02879	11.3
97.06525	1.8
99.04439	2.8
105.07012	11.1
107.04947	1.9
107.08577	2.8
109.02853	3.8
109.06516	22.3
109.10126	1.4
110.98433	1.2
115.05434	1.4
116.01717	2.0
117.07008	6.1
119.08568	6.9
121.06476	2.7
121.10155	4.6
123.08054	2.0
127.03906	9.2
128.06223	3.4
129.07001	7.6
130.05016	1.3
130.07730	1.8
131.08551	7.9
133.06461	2.2
133.10141	1.4
135.08020	2.7
137.05923	1.3
137.09627	3.0
138.17659	1.1
141.07040	3.0
142.07770	2.2
143.08560	13.5
145.04941	3.2
145.06107	12.5
145.10118	26.0
147.02586	3.4
147.08035	11.2
147.11687	3.2
149.09589	2.1
155.08565	5.8
156.09322	3.1
157.06471	1.3
157.10158	3.6
158.07301	4.0
159.07994	3.9
159.11678	3.0
161.04196	4.0
162.02180	2.9
163.11133	5.8
165.09131	2.3
169.06346	1.2
169.10059	6.6
171.08075	4.5
171.11676	15.0
172.08786	2.2
173.09602	19.2
173.13217	8.2
175.07549	4.8
175.11205	2.3
177.09050	1.5
179.40891	1.2
181.10127	2.8
187.11137	5.3
189.09103	1.6
191.10645	5.4
197.09685	1.8
199.11137	10.1
201.12720	2.4
203.08868	5.1
209.06299	1.3
215.10706	6.9
217.12212	10.3
219.13855	1.7
227.10678	3.3
231.08395	1.8
233.11720	7.8
245.11681	3.4
249.09482	3.5
261.11252	7.7
274.12714	1.2
279.12256	100.0
280.12598	2.6
295.09964	3.0
302.11923	2.1
310.69962	1.1
320.13007	2.2
338.14270	3.4
348.12601	1.8
406.13138	1.7
423.15894	1.2
424.14044	4.6
441.11761	1.8
441.16925	13.8
441.22375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1759
Annotation	Taraxafolide
Peak:m/z	Relative Intensity
52.15455	0.9
53.03947	1.1
53.36364	0.8
55.01868	1.6
55.05503	1.0
55.21444	0.8
57.03428	3.4
57.72335	0.8
58.99575	0.8
61.02926	3.5
67.05495	2.1
69.03423	21.5
69.95340	0.8
69.97857	4.3
70.02967	1.6
71.04988	3.3
71.82205	0.8
73.02908	3.5
76.02216	1.5
79.05496	4.2
81.03399	6.5
81.07052	2.8
85.02898	41.0
85.06544	5.9
87.04465	2.7
88.02224	2.3
88.79626	0.8
91.05456	6.5
93.07040	5.3
95.04972	2.3
95.08588	1.2
97.01111	1.3
97.02885	11.1
97.06507	2.1
98.21484	1.1
99.04446	3.6
101.02352	0.8
105.07014	10.7
107.04942	2.4
107.08581	4.7
109.02862	5.8
109.06506	27.9
109.10163	2.4
115.05462	1.9
116.01659	2.6
117.07005	4.4
119.08573	7.6
121.06503	4.1
121.10126	3.6
123.04443	0.8
123.08084	1.7
127.03902	8.6
128.06235	3.7
129.07001	5.4
130.04997	1.1
130.07794	2.9
131.08571	9.5
133.06483	2.9
133.10146	1.3
135.04492	1.2
135.08032	2.8
137.06001	1.0
137.09579	3.7
141.07016	1.9
142.07843	1.2
143.08549	8.7
145.04961	4.8
145.06154	6.5
145.10117	23.0
146.07240	1.2
147.02637	1.9
147.08026	13.7
147.09077	1.3
147.11636	2.0
149.05984	1.1
149.09648	2.4
151.07437	1.1
153.07018	1.0
154.07808	2.6
155.08501	5.2
156.09360	2.3
157.06425	1.1
157.10149	2.7
158.07269	6.0
159.08052	5.2
159.11700	3.3
160.08827	2.0
161.04231	1.7
161.09618	1.4
162.02199	2.0
163.05815	1.5
163.07520	1.6
163.11189	6.7
165.09087	2.0
169.10136	5.2
171.08044	6.1
171.11678	8.8
172.08832	4.5
173.09607	21.8
173.11003	1.6
173.13240	5.1
175.07494	6.0
175.11172	4.4
179.04817	1.1
181.10172	2.0
187.11153	3.9
189.09113	1.1
189.12773	1.4
191.10655	6.4
193.08514	1.0
193.12181	1.7
197.09586	2.5
199.11150	5.8
201.12865	1.0
203.08875	3.3
205.12288	2.2
215.10649	5.6
216.66206	0.9
217.12186	6.5
227.10666	2.1
233.09743	1.2
233.11746	8.5
237.02701	1.1
243.10149	1.2
245.11720	1.9
249.09496	3.1
261.11194	9.2
263.12830	1.9
277.09036	1.2
279.12256	100.0
280.12634	2.6
295.09915	1.1
302.12210	1.2
320.13004	1.3
335.25256	0.9
338.14178	1.6
348.08447	0.9
378.13614	1.8
424.14447	2.0
441.11703	1.6
441.16849	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	441.1758
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
53.03930	3.1
55.01859	1.8
55.05505	1.9
56.96547	1.4
57.03441	7.2
61.02924	7.8
67.05492	1.8
68.05009	0.9
68.36813	0.8
69.03426	32.3
69.07049	1.9
69.46019	5.4
69.46435	2.0
70.06561	1.9
70.86401	0.8
71.01337	1.3
71.04973	2.9
73.02921	5.1
79.05468	1.8
81.03407	10.0
81.07043	2.2
83.04959	0.9
84.08148	1.0
85.02902	39.4
85.06544	1.5
86.09686	1.6
87.04461	6.3
91.03944	2.1
91.05465	4.8
93.07039	4.1
95.04974	2.0
97.02892	17.6
97.06512	1.2
98.97599	1.3
99.04437	4.4
101.02358	1.4
105.07011	6.0
107.08580	3.0
109.02889	5.6
109.06493	0.9
115.03886	1.2
115.05421	1.1
116.98627	1.1
117.07003	2.7
119.04952	1.2
119.08568	3.2
120.08048	1.0
121.06485	1.8
121.10127	1.9
123.08030	1.4
127.03906	8.6
128.06184	1.2
129.06989	2.5
131.08527	4.9
133.06474	1.3
133.10068	1.1
135.08067	1.7
137.09628	2.0
141.06989	1.8
142.07748	2.3
143.08553	1.6
145.04955	2.7
145.06456	2.4
145.10138	9.3
146.07291	1.2
147.08044	1.5
147.11664	2.5
153.06909	1.3
154.07719	2.2
155.08516	2.7
157.10107	2.3
158.07239	5.2
159.08054	28.9
159.11752	4.8
160.08783	1.1
161.09592	1.0
163.07622	0.9
163.11185	1.4
165.06927	1.0
166.07797	1.1
167.08484	0.9
169.10165	4.2
171.08000	2.3
171.11658	2.1
172.08768	1.2
173.09622	23.5
174.10403	40.9
175.11162	9.3
177.00623	0.9
179.08566	1.4
181.10098	2.3
182.07333	1.8
187.11160	10.7
191.10680	1.5
193.04951	0.9
193.12190	1.4
197.09599	12.0
199.11177	1.6
203.10654	1.4
205.12273	1.8
213.09073	1.5
215.10638	8.6
225.09105	2.0
233.11685	12.2
237.02879	1.1
243.10175	9.2
245.11642	1.3
261.11246	9.4
279.12271	100.0
280.12692	1.4
360.64426	1.0
372.56729	1.1
441.17496	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	441.1757
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
55.01852	1.3
57.03453	0.9
61.02919	2.5
69.03426	9.9
69.66599	1.9
69.67013	4.0
70.06567	1.9
71.85834	0.9
73.02917	1.4
81.03410	3.0
85.02906	16.7
86.09675	1.0
87.04464	1.2
91.05473	2.6
96.07177	0.9
97.02889	5.2
99.04435	1.1
109.02873	2.2
117.07020	0.9
119.08514	0.9
120.08080	1.2
127.03941	2.7
129.07001	2.2
131.08549	6.2
141.06972	1.8
142.07787	1.2
143.08609	1.2
144.05676	1.5
145.04944	1.5
145.06483	1.5
145.10097	3.1
146.07236	2.3
146.10925	1.5
153.06900	1.1
154.07761	1.5
156.09267	0.9
157.10150	1.4
159.08049	69.6
160.08398	1.4
169.10109	3.4
172.08838	2.4
173.09636	7.0
174.10403	88.8
175.10960	2.7
182.07317	4.5
187.11127	1.6
193.04860	1.1
197.09619	14.8
215.10698	2.7
225.09145	2.6
233.11674	4.3
243.10197	6.2
261.11182	13.7
267.45197	0.9
279.12265	100.0
280.12640	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1753
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
53.03903	2.4
55.01849	2.0
57.03391	4.6
59.04969	0.8
61.02926	6.2
67.05469	0.8
69.03427	25.8
70.06553	0.8
70.92495	1.8
71.01315	1.2
71.04942	2.8
73.02934	5.0
81.03418	7.6
83.01320	0.9
85.02906	32.5
86.09659	0.8
87.04462	6.6
91.03920	1.9
91.05443	2.6
93.07018	0.9
95.04945	1.3
97.02892	13.5
99.04397	2.8
101.02340	1.8
105.06993	3.3
109.02860	4.1
109.06519	1.1
117.06970	2.2
119.08532	1.9
121.06450	1.9
127.03917	6.8
129.06978	1.5
131.08527	2.8
133.10132	0.9
135.08038	1.6
137.09554	1.4
141.07007	1.3
142.07697	1.0
143.08595	0.8
145.04929	2.4
145.06445	1.9
145.10133	5.5
146.07214	1.5
147.08018	1.5
147.11664	1.7
153.06924	0.7
154.07790	1.5
155.08531	1.5
157.10080	2.2
158.07249	3.4
159.08058	23.5
159.11633	4.1
169.10092	2.7
171.08069	1.6
172.08775	1.0
173.09633	22.4
174.10405	40.1
175.11188	7.8
182.07214	1.9
187.11215	9.4
193.04926	2.3
197.09631	11.0
201.09154	0.7
203.10666	0.9
213.09184	0.8
215.10690	7.0
225.09076	2.2
233.11703	10.4
240.69023	0.7
243.10229	9.9
243.12607	1.2
247.91827	0.7
251.12520	0.8
261.11258	10.1
279.12277	100.0
280.12622	2.5
394.42465	0.7
441.17545	47.3
442.17792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1755
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
51.66085	0.9
53.03946	1.0
53.57699	0.7
55.01857	1.4
55.85847	0.6
56.53828	0.6
56.96551	0.9
57.03417	2.0
61.02915	2.5
67.05499	1.1
69.03426	9.9
69.54619	0.7
70.06588	4.2
71.04966	1.5
71.15167	0.7
71.60566	1.3
72.08144	1.2
73.02906	1.5
75.34394	0.7
77.87333	0.6
79.05480	1.1
81.03424	3.4
81.07021	1.1
83.04942	0.7
84.08143	1.5
85.02908	17.1
85.06551	0.8
86.09697	3.0
87.04427	1.1
91.05473	2.2
93.07025	1.3
94.03309	0.6
95.04971	1.0
95.08597	1.3
97.02898	5.9
97.06549	0.8
98.97595	2.0
99.04436	1.6
105.07030	3.7
109.02870	2.7
116.07098	1.6
116.98621	1.7
117.06973	1.2
119.08561	1.2
121.06456	0.7
121.10165	0.8
127.03930	4.7
128.98528	0.9
129.06992	1.5
130.07776	0.8
131.08559	6.4
133.02852	2.4
133.06439	1.4
133.10182	0.9
134.99602	0.9
135.08089	0.8
137.06009	1.1
141.06990	2.2
142.07808	1.1
143.08521	1.7
145.04922	1.8
145.06487	2.4
145.10136	2.0
146.07227	2.1
146.10837	0.8
147.11696	1.7
154.07799	1.2
156.09351	0.9
157.10126	1.6
158.07188	1.0
159.08046	62.3
160.08403	1.5
169.10126	3.9
171.08061	1.2
173.09628	6.3
174.10396	87.4
175.11021	3.9
177.00677	1.2
178.02553	1.7
179.08482	1.1
182.07202	3.7
187.11201	0.9
193.04956	17.2
197.09610	13.2
199.11090	0.8
215.10715	3.1
219.01671	1.3
225.09090	4.3
229.09792	0.8
233.11667	5.0
242.10182	1.0
243.10127	7.2
244.11679	0.9
260.11130	0.7
261.02884	2.1
261.11224	12.9
279.12265	100.0
280.12607	3.7
280.15283	1.2
280.64099	0.7
286.12860	0.8
302.12177	1.4
318.14111	1.4
321.04651	1.0
405.13150	1.4
423.13980	4.8
424.12897	1.2
429.82260	0.7
441.21863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
52.89474	0.3
56.96550	0.6
69.03429	0.7
70.00515	0.7
70.00928	1.1
70.06583	1.1
72.88535	0.3
79.73946	0.3
81.03447	0.4
81.07049	0.4
83.01101	0.7
84.04516	0.5
85.02900	0.9
86.09705	0.6
90.46174	0.3
91.05474	0.5
93.07053	0.3
95.01116	1.0
96.01862	0.5
98.20766	0.4
98.97589	0.8
105.07007	0.4
112.01334	0.8
112.04961	0.4
113.02116	2.1
116.98650	0.6
131.08603	0.5
133.02885	0.4
134.04807	0.4
136.53198	0.3
143.08568	0.4
145.06104	0.8
147.70549	0.4
159.08080	0.8
161.06009	0.6
174.10414	1.3
185.04213	2.7
189.05226	0.5
193.05011	1.9
201.03638	1.0
203.05208	0.6
204.07570	2.5
205.08427	0.4
205.71242	0.4
218.04913	0.5
229.07353	0.4
237.02733	0.4
259.07941	0.8
270.09421	0.4
279.12091	2.2
429.69196	0.4
441.17322	100.0
442.17606	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40396	0.6
55.01863	1.0
55.05499	0.8
56.96552	1.8
67.05503	2.0
69.03432	1.1
69.07056	1.6
70.06593	3.4
71.60387	1.3
72.08141	1.8
79.05493	2.3
81.03418	0.7
81.07057	3.4
84.04496	1.1
84.08139	0.9
85.02906	3.2
85.06532	0.6
86.09694	6.5
91.05467	2.3
93.07042	4.5
95.04951	1.6
95.08598	3.0
95.50406	0.6
95.88619	0.6
97.02918	0.7
97.06522	0.7
98.97594	1.4
105.07009	2.4
107.04962	1.5
107.08577	3.8
109.06501	0.8
109.10172	1.9
109.88617	0.6
110.79522	0.7
116.07075	1.7
116.98609	0.9
119.01912	3.3
119.08591	2.1
120.08102	4.5
121.10125	1.3
127.03938	0.7
128.98566	0.7
129.07024	0.8
131.08595	1.3
133.10141	1.8
134.99657	0.9
135.11702	1.0
137.09543	0.7
140.89059	0.7
143.01891	1.7
143.08527	0.9
147.01346	0.8
147.11626	1.1
149.09529	0.8
151.11264	0.9
157.03476	1.4
158.99734	0.8
159.08131	0.6
161.02957	3.2
165.12798	1.4
171.11737	0.7
173.02957	1.0
173.09698	0.6
175.04565	1.7
175.14816	0.9
177.00714	0.8
177.16373	0.6
185.02794	0.7
185.04274	1.1
185.16489	1.9
187.04581	0.5
190.83160	0.6
193.12062	3.5
193.47441	0.6
193.99904	0.6
203.03888	1.3
205.15955	0.6
209.15392	2.6
213.16043	1.3
219.01817	0.7
227.05270	1.1
229.15428	1.3
235.11711	0.9
237.02846	0.7
245.06287	3.5
247.11403	0.7
253.12839	1.5
261.02808	0.9
271.04254	1.1
279.12103	0.9
281.10803	0.8
287.03741	0.8
289.05270	9.6
295.13898	1.0
300.18301	0.6
308.02917	0.6
345.20157	0.6
355.17197	5.7
397.18326	40.8
398.18848	1.0
423.16342	1.1
441.17337	100.0
442.17651	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36898	1.2
55.05800	1.2
56.56821	1.1
56.96560	14.1
59.96799	1.1
64.91032	1.1
70.30743	1.3
71.58768	1.7
84.96030	7.5
85.02910	1.2
94.93026	1.2
97.73692	1.1
98.91946	4.2
98.97580	78.1
102.97057	1.7
110.97562	18.2
112.99123	1.6
115.24079	1.2
116.98621	56.4
124.99107	2.7
127.63691	1.4
128.98605	32.4
134.99641	20.8
140.00188	1.4
140.98561	6.8
143.00142	11.2
145.01746	2.9
146.99651	29.5
149.01199	1.6
152.98581	3.8
153.00723	2.7
158.99652	33.1
161.01230	16.8
162.99098	2.0
165.00708	4.6
170.99643	22.8
173.01241	3.1
176.93796	2.0
177.00711	49.8
179.02328	2.0
180.97498	3.9
182.97316	2.6
182.98100	1.4
182.99599	9.7
188.99005	1.9
189.00708	36.7
192.97462	2.1
195.01823	4.2
201.00696	56.1
203.02379	1.7
205.05609	1.7
207.01804	8.0
213.00670	3.1
218.94962	4.0
219.01758	64.4
231.01807	8.0
237.02812	25.0
243.01764	19.6
249.02805	1.6
255.03850	2.6
261.02820	100.0
262.03262	2.9
273.02924	6.2
278.97079	2.5
279.03860	75.1
291.03857	21.8
297.04871	2.6
302.05396	2.0
303.03683	1.6
307.08920	5.7
309.04837	3.1
314.05533	1.2
321.04910	52.0
333.04886	4.7
351.05881	7.2
365.10666	3.4
381.07059	5.1
399.08246	6.0
416.68613	1.6
441.09259	26.8
441.14777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33171	1.1
53.87941	1.2
55.05512	2.2
57.03443	2.4
57.06817	1.7
57.07077	19.0
57.53739	1.4
62.06093	21.3
62.38221	1.4
67.05491	4.4
69.07060	5.3
70.79061	3.4
71.08627	12.8
71.75967	1.2
79.05481	1.6
81.07047	7.3
81.76928	1.2
83.08604	3.3
84.19536	1.2
85.10172	7.1
93.07056	2.6
95.08608	13.8
98.98473	4.7
105.07036	1.6
107.08570	2.3
109.10155	1.7
111.16136	1.2
112.03944	1.9
112.14323	1.3
131.08516	1.5
140.03427	10.0
149.01189	1.9
155.01057	5.8
156.03572	2.7
159.11772	1.3
167.02240	1.5
197.07031	1.6
216.06302	2.7
225.22169	2.8
251.10808	1.4
268.26346	10.6
277.13766	4.0
277.64038	2.4
299.25800	100.0
305.84613	1.6
379.22501	6.5
422.26431	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09365	0.9
56.96561	31.6
63.92436	0.9
70.06590	1.9
70.99252	2.2
72.40393	0.9
84.96034	12.6
85.02893	2.2
98.97581	48.6
102.97032	1.5
110.97570	12.2
112.99120	2.2
116.98620	43.2
120.98106	1.1
128.98607	26.1
131.00139	4.6
134.99658	26.1
140.00244	1.0
140.98582	2.6
143.00180	6.4
143.01100	1.0
144.98114	1.6
146.99654	33.4
149.01216	5.8
152.49353	1.0
153.00726	2.6
158.99634	6.4
159.08104	2.5
161.01233	18.3
162.99211	2.6
165.00687	8.2
170.99646	5.5
173.01283	1.4
174.10434	3.0
175.00807	1.0
177.00711	10.7
179.02341	5.3
182.99709	1.6
189.00743	8.7
193.01767	2.9
195.01755	2.0
201.00661	8.4
201.37335	1.1
207.01755	1.6
209.01199	2.9
211.02765	4.0
218.99785	2.0
219.01753	36.2
229.03920	2.1
237.00679	8.1
237.02812	67.7
254.00653	1.0
255.01747	19.4
255.04005	6.1
260.04410	1.6
273.02835	25.3
278.03107	1.1
279.12344	4.7
297.02820	4.0
315.01511	2.1
321.02606	2.3
323.04352	2.7
333.02881	7.0
339.03928	2.0
341.05307	1.9
351.03928	2.4
363.03867	4.2
369.05167	1.1
381.04953	30.0
399.05991	100.0
417.06989	4.5
422.07870	4.7
441.06839	1.9
441.17017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93539	1.2
58.99598	6.0
69.03415	2.3
69.66969	8.0
70.06597	2.5
71.04996	1.4
72.08162	1.7
76.02225	8.4
84.04494	1.5
85.02925	2.6
86.09743	1.2
86.99040	2.2
100.02221	5.6
105.00066	2.4
122.06030	2.0
136.07541	3.2
146.02713	8.8
149.09544	1.3
150.05504	1.2
159.08054	1.3
164.07111	1.9
168.17963	1.1
170.09694	1.9
172.07582	2.6
174.10428	2.8
175.08713	2.8
185.10802	1.5
186.09174	3.0
188.03815	2.3
189.10167	2.3
193.05017	2.3
196.04216	1.1
196.07558	2.2
198.09180	6.2
200.10770	1.1
212.09268	2.1
213.10208	9.8
214.08623	3.9
215.08255	1.2
215.11832	5.5
217.09787	5.0
225.06612	1.5
226.07132	2.4
227.11841	2.6
235.10802	7.2
240.08910	4.9
241.09702	30.4
241.12091	2.2
242.04863	1.5
242.08189	4.4
242.10512	1.3
243.11320	19.6
245.09645	1.3
251.82950	1.2
254.06410	1.7
254.10432	3.1
255.11328	5.5
258.12378	12.7
259.10794	26.0
260.09253	2.0
271.13290	2.1
273.12311	1.3
277.11899	2.1
279.12363	2.3
283.10812	8.3
284.09158	2.9
285.12347	13.5
286.09445	2.8
287.07870	1.5
299.08527	3.3
300.10953	1.2
301.11865	28.8
302.10165	2.8
303.13461	5.0
317.09866	2.1
317.13693	23.6
318.12717	6.4
319.12848	6.9
360.13873	1.7
362.11642	9.4
363.10156	4.2
378.14709	2.5
404.07657	2.0
404.12775	26.7
405.11139	11.5
422.13831	100.0
423.12241	11.0
440.10999	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
55.05502	12.0
57.03412	1.2
57.07063	3.8
67.05510	12.4
69.03416	1.2
69.07066	15.2
69.36536	7.3
69.36977	3.7
71.08608	1.2
79.05488	10.5
81.06580	1.3
81.07051	25.3
83.05012	1.1
83.08624	8.6
91.05471	8.8
93.07039	21.2
95.04930	1.4
95.08602	49.2
97.10157	4.6
98.21535	2.3
99.18613	1.2
105.07025	25.1
107.08591	37.7
109.06513	1.7
109.10152	30.6
117.07034	1.4
119.08578	44.8
121.09310	2.0
121.10144	33.9
121.11013	1.7
123.08065	1.9
123.11701	10.1
125.09596	1.8
131.08551	4.5
133.09105	1.8
133.10124	35.9
135.08060	1.2
135.11681	24.6
137.06006	2.1
137.13260	5.0
139.07523	2.9
143.08530	2.0
145.10101	6.8
147.11684	33.2
149.09619	2.9
149.13252	13.8
151.07585	1.6
151.11115	1.0
152.08266	1.7
153.09099	6.2
157.10097	2.2
159.08153	1.4
159.11705	5.5
161.09592	1.7
161.13257	20.5
163.14819	14.1
165.09120	3.1
167.10683	4.0
171.11653	2.2
173.13254	2.9
175.11273	1.1
175.14828	15.0
177.16371	8.2
179.10667	3.4
187.14888	5.3
189.16373	49.4
190.16730	1.2
191.17935	70.9
192.18233	1.6
193.12228	2.2
193.15852	1.3
193.48366	1.1
201.16364	10.2
203.17947	100.0
204.18314	2.1
205.19499	15.2
207.13774	1.0
207.17375	1.8
213.16293	1.2
215.17963	3.6
217.19502	13.0
221.15437	1.6
221.18922	5.5
223.16743	1.1
229.19466	2.7
231.17390	3.2
231.21074	4.3
235.16861	6.7
245.22609	2.8
247.16994	3.6
249.18478	21.3
259.17032	1.1
261.18417	2.5
269.22397	1.1
274.97369	1.4
275.19901	1.2
297.25696	1.3
347.25870	9.2
365.26898	8.0
367.17673	1.6
393.30612	1.4
393.34998	6.9
418.25528	1.1
421.29602	3.9
439.30362	19.1
439.35724	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.2
56.96551	4.4
57.07073	7.0
67.05511	28.3
69.07063	19.4
69.27129	12.4
69.27554	30.2
71.04967	3.9
77.20794	3.7
77.75762	3.3
79.05514	21.3
81.07052	51.3
83.08640	8.5
88.37627	3.6
88.70436	3.6
89.50365	4.2
91.05478	17.7
92.13428	3.8
93.07055	39.6
95.08610	100.0
97.06552	3.7
97.10164	7.0
99.81664	3.7
105.07034	37.5
107.08593	53.7
109.10154	48.3
111.08097	12.7
117.07011	6.8
119.08588	58.3
121.10143	45.7
123.08121	7.3
123.10950	4.1
123.11697	21.4
131.08568	16.9
133.10117	44.0
135.11717	27.9
137.13237	12.2
139.11200	7.1
143.08549	8.9
145.10135	29.4
147.11687	33.1
149.02357	15.8
149.13271	24.2
150.02710	9.2
157.10168	12.8
159.11688	22.8
161.13290	30.3
163.14832	12.4
165.12762	6.2
171.11688	7.7
173.13275	15.7
175.14839	17.2
177.16394	12.6
183.11723	6.8
185.13232	6.4
187.14799	9.8
189.16373	37.2
191.17935	33.4
193.04932	19.7
193.15950	6.6
194.05305	13.8
197.13306	5.9
199.14751	5.4
201.16368	17.5
203.17952	57.6
205.15836	6.1
205.19576	8.4
212.49220	3.7
213.16475	7.1
215.17982	15.0
217.19537	12.4
219.17441	6.9
221.19145	4.8
227.18013	7.5
233.19046	9.1
245.19067	9.6
249.18585	5.4
271.20377	5.8
273.22177	8.0
285.22208	8.6
393.35007	7.4
395.54013	4.0
421.34854	23.1
439.30817	4.7
439.35876	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.6
57.07062	4.1
65.01499	2.3
67.05501	14.6
69.07053	16.3
77.02032	2.2
79.05504	6.2
81.07059	24.6
83.08620	5.2
86.80003	2.4
91.05488	8.7
93.07049	19.1
95.08608	48.2
95.09167	4.4
97.10160	2.9
105.07030	21.9
107.08602	39.5
109.10172	28.9
119.08587	35.7
121.10135	30.3
123.11711	11.2
131.08638	5.5
133.10132	27.9
135.11697	19.7
137.13229	5.2
145.10149	5.7
147.11679	30.1
149.13306	16.7
153.09048	3.7
154.44576	2.4
156.11856	2.4
159.11710	5.8
161.13249	16.3
163.14850	9.6
167.10733	3.6
173.13190	4.5
174.14111	2.5
175.14838	8.9
177.16457	7.5
187.14850	4.0
189.16376	41.7
191.17975	53.2
201.16396	13.5
203.17969	100.0
205.19528	9.7
213.16417	3.0
215.18033	5.0
217.19539	9.7
221.18982	3.1
231.21199	3.3
235.16942	4.3
243.21123	3.2
245.22531	3.2
247.16949	4.1
249.18427	15.3
255.21173	3.1
267.68051	2.4
285.51910	2.4
329.24066	2.5
393.35291	7.3
439.35797	23.5
461.98856	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.35046	3.6
54.53668	3.6
55.05506	19.8
57.07069	7.8
65.84417	3.8
66.65670	4.2
67.05502	28.2
69.07061	21.0
69.99854	15.8
70.00272	9.1
70.03960	3.9
70.66283	3.7
76.78931	4.0
79.05489	22.3
81.07055	63.1
83.08614	14.9
83.66891	4.5
91.05488	22.2
93.07053	48.7
95.04970	7.5
95.08604	100.0
97.06543	4.5
105.07033	53.3
107.08591	60.6
109.06513	5.4
109.10166	66.1
111.08071	29.1
117.07013	7.7
119.08578	64.5
121.10152	50.5
123.08033	6.3
123.11696	18.6
125.09608	11.7
131.08621	23.8
133.10121	56.0
135.11685	36.8
137.13289	4.6
139.11206	4.8
143.08557	7.9
145.10112	46.9
147.11697	35.4
149.13257	36.0
157.10098	16.2
159.11725	41.0
161.13277	34.1
163.11206	5.1
163.14824	13.0
171.11679	11.2
173.13228	26.5
175.14854	23.5
177.12750	4.2
177.16422	15.4
183.11688	4.6
185.13295	9.2
187.14813	11.9
189.16389	27.5
191.17838	11.4
199.14801	10.3
201.16396	32.7
203.14413	5.3
203.17929	22.5
205.15855	9.7
213.16405	9.3
215.17937	17.5
217.19287	5.7
219.17415	19.6
227.17921	5.1
229.15984	4.4
231.17500	6.6
233.18948	8.5
243.21152	5.8
245.18964	6.6
259.20621	4.9
267.21280	6.7
271.20477	6.0
273.22250	5.9
299.23962	4.2
409.34601	5.6
421.34689	50.5
439.35706	91.8
454.58026	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03937	1.9
55.05511	14.8
56.96544	1.8
57.07064	5.3
61.66046	1.1
63.30602	1.1
65.03948	1.7
67.05502	26.6
67.56239	1.5
69.03419	2.4
69.07063	17.7
69.56928	1.5
71.59186	1.3
79.05485	21.9
81.07053	55.9
83.04985	2.9
83.08610	8.1
85.06514	1.6
91.05482	21.8
93.07040	50.5
95.04983	4.1
95.08602	100.0
97.06537	6.5
97.10157	4.6
99.08137	2.7
105.07027	49.8
107.08592	61.8
109.06533	5.0
109.10148	43.4
111.08067	16.1
111.08740	1.5
113.09660	1.7
117.07014	7.6
119.08578	67.1
121.10141	52.6
123.08076	4.8
123.11713	17.9
125.09654	5.4
129.07027	2.7
131.08568	24.2
133.10133	40.9
135.08020	1.8
135.11684	35.0
137.09613	4.0
137.13258	4.8
139.11172	25.0
142.07773	2.0
143.08559	11.9
144.09361	2.7
145.10107	35.4
147.11693	34.5
149.09636	2.8
149.13255	28.7
151.11192	3.5
153.12769	3.9
155.08568	3.6
156.09378	2.6
157.10130	12.8
158.10825	1.5
159.11674	35.8
160.12389	1.7
161.13245	34.2
163.11195	8.0
163.14804	16.2
165.12769	5.1
169.10135	3.8
170.10861	1.3
171.11674	11.0
173.13263	22.7
175.14821	26.4
177.12769	5.8
177.16362	18.8
179.14355	1.5
181.10059	1.4
183.11749	5.6
185.13268	14.4
187.14813	23.4
189.16379	14.0
191.14287	6.6
191.17908	6.2
193.15906	4.4
195.17482	4.2
197.13303	3.6
199.14790	13.0
201.16370	39.1
203.14378	3.9
203.17947	15.2
205.15871	14.0
207.17487	5.2
209.13405	1.4
210.13913	1.8
211.14841	4.2
213.16367	12.8
215.17953	29.2
217.15874	4.9
217.19498	9.2
219.17426	16.5
223.14824	1.4
225.16408	4.6
227.17953	13.4
229.19548	5.9
231.17513	6.0
233.18962	7.8
239.18105	3.9
240.18805	1.7
241.19460	6.1
243.17496	4.3
243.21149	3.1
245.19003	19.4
247.20705	2.0
253.19626	4.3
255.18594	1.3
255.21034	6.6
257.19168	1.6
257.22592	1.7
259.20667	4.6
261.22156	1.4
265.19485	1.7
267.21179	3.6
269.22705	4.8
271.20599	5.6
273.22159	9.4
281.22714	3.8
283.20975	1.9
285.22153	9.4
287.23669	3.1
293.22574	2.2
299.23859	5.2
301.25168	2.1
311.23627	1.7
323.27264	1.4
325.25241	1.7
363.30588	3.9
381.31543	13.0
403.33856	3.6
409.34763	5.7
421.34637	37.8
422.35339	1.8
439.19635	4.3
439.26697	2.0
439.35843	44.7
440.36395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.9
56.96559	3.8
57.07069	8.7
58.94284	2.8
62.83131	3.4
65.73891	3.0
67.05502	15.3
69.07061	17.9
71.59621	3.5
76.67257	3.5
77.33463	3.0
79.05489	17.0
81.07058	37.9
83.08623	9.4
91.05486	12.6
93.07023	27.1
95.08599	51.0
97.10165	6.3
105.07030	26.4
107.08590	43.8
109.10152	32.5
119.08575	49.8
121.10135	31.8
123.11724	12.1
131.08597	6.7
133.10132	31.2
135.11652	22.1
137.13254	8.6
143.08521	4.0
145.10132	9.1
147.07964	3.6
147.11702	31.5
149.01282	4.2
149.02344	18.1
149.13252	16.6
150.02684	7.8
153.09140	4.7
157.10153	5.1
159.11674	7.4
161.13248	19.8
163.14821	10.6
167.10689	3.3
173.09702	3.7
173.13257	4.7
175.14864	12.4
177.16397	8.0
179.10779	3.4
187.14754	6.9
189.16374	40.6
191.17920	56.7
193.04906	22.4
194.05354	15.6
194.61804	3.2
201.16389	11.9
201.60242	3.2
203.17953	100.0
205.19576	15.7
213.16440	6.5
215.17903	6.1
217.19557	10.9
221.19087	7.0
235.17053	6.9
249.16293	3.6
249.18506	16.9
285.13577	3.9
393.35077	9.2
438.68286	5.7
439.28500	4.0
439.35721	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.8
56.96550	2.5
67.05500	16.1
69.07064	20.1
69.85323	4.9
69.85735	10.9
76.94912	2.3
79.05496	15.1
81.07059	37.1
83.04977	2.4
83.08606	10.3
91.05470	18.7
93.07037	35.3
95.04992	3.6
95.08600	65.9
97.10155	5.9
98.20791	2.7
105.07027	33.9
107.08596	43.4
109.06522	2.3
109.10160	49.0
110.73328	2.2
111.08072	7.3
117.06994	4.6
119.07786	4.1
119.08582	54.0
121.10139	41.7
123.11687	17.5
124.63123	2.2
131.08545	6.1
133.10130	39.4
135.11705	29.4
137.13261	6.4
139.11110	2.9
145.10124	16.2
147.11685	37.6
149.13232	18.1
153.09091	5.9
157.10104	6.0
159.11688	12.4
161.13260	25.2
163.14861	12.2
163.16045	2.7
167.10587	3.6
171.11636	6.2
173.13257	11.2
173.81235	2.4
175.14906	17.7
177.16415	6.2
185.13289	3.8
187.14774	8.0
189.16373	41.7
191.17947	75.8
201.16405	19.5
203.17949	100.0
205.19516	14.8
207.17494	3.7
213.16289	2.8
215.17961	10.3
217.15924	2.7
217.19479	13.3
221.18933	5.7
227.17821	4.4
231.17429	5.1
231.21098	3.9
235.16943	4.0
247.16905	5.4
249.18480	19.1
257.04449	9.9
257.18985	2.6
257.22397	2.3
258.05164	3.0
287.05420	5.1
298.18292	2.6
311.05685	3.0
343.26407	2.5
352.14337	2.7
393.35068	6.8
421.34457	14.2
439.13657	8.5
439.27115	20.2
439.35782	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05512	9.9
57.07079	4.3
67.05507	8.4
69.07070	13.2
69.50584	1.8
69.50995	6.5
79.05485	8.2
81.07059	23.6
83.08618	7.9
91.05465	7.5
93.07039	19.6
95.04955	1.3
95.08603	43.9
95.31292	0.8
97.10172	3.0
98.20590	1.0
105.07028	21.6
105.07674	1.6
107.08592	39.7
109.10150	29.6
109.10909	1.2
111.11691	1.1
117.07057	1.1
119.08585	38.7
121.10142	30.1
123.11698	12.1
131.08562	3.5
133.10129	31.8
135.11682	24.1
137.13222	4.3
139.07574	1.8
140.07962	0.8
145.10054	5.0
147.11688	30.4
149.13260	16.9
151.11174	0.9
153.09111	4.9
157.10059	1.2
159.11684	3.7
161.13258	17.4
163.14818	10.1
165.09116	1.2
167.10655	3.6
173.13293	3.8
175.14824	10.6
177.16397	6.0
179.10658	2.8
186.15414	0.9
187.14844	3.0
189.16376	44.1
191.17946	64.9
193.12274	1.7
201.16409	9.6
203.17950	100.0
204.18202	1.0
205.19510	15.9
207.13696	1.3
207.17365	1.6
207.35548	0.9
213.16397	2.1
215.17961	3.9
217.15790	1.3
217.19540	10.5
221.15395	1.5
221.19034	3.0
229.19597	2.2
231.17447	2.3
231.21098	3.2
235.16913	4.6
242.82794	0.9
243.20996	1.7
245.22716	2.8
247.16861	4.3
249.18481	19.7
257.22522	1.1
261.18524	2.6
275.20035	1.3
289.21799	1.5
315.23172	1.3
341.24570	1.1
393.31070	1.0
393.35263	9.0
421.34668	1.1
439.35782	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05511	13.0
56.61719	3.0
67.05501	35.7
69.07062	20.4
69.86118	9.0
69.86530	7.2
79.05489	23.8
81.07056	73.3
83.08609	10.6
84.23706	2.5
91.05472	20.8
93.07040	52.7
95.04974	4.8
95.08601	100.0
95.68636	2.7
97.06531	10.6
97.10193	4.7
98.97527	4.1
102.90311	2.6
103.05480	2.9
105.07032	61.6
107.08594	64.4
109.06519	4.3
109.10153	73.6
111.08090	11.9
114.43460	2.3
117.07030	6.9
119.08577	72.5
121.10145	45.5
123.08048	4.5
123.11724	17.8
128.06204	2.7
129.07076	3.4
131.08560	20.8
133.10120	56.0
135.08028	5.2
135.11679	32.5
137.13290	5.9
142.07779	5.4
143.08560	11.3
145.10118	38.0
147.11694	36.5
149.09497	3.1
149.13248	25.3
155.08565	3.1
157.10109	18.1
159.11679	48.3
161.13235	40.4
163.14801	17.9
165.12770	5.1
169.10106	5.0
169.41254	2.8
171.11681	12.4
173.13248	28.6
175.14825	27.2
177.16409	12.3
179.14354	3.6
183.11722	6.7
185.13301	11.4
187.14787	18.7
189.16385	18.8
191.14302	5.9
191.17957	8.7
193.15846	4.2
195.17621	3.5
197.13268	6.9
199.14821	9.4
201.16414	24.2
203.14368	5.5
203.17943	23.1
205.15927	12.2
205.94250	3.1
207.13806	3.2
207.17551	8.8
211.14874	4.3
213.16403	8.1
215.17961	20.0
217.15860	7.2
217.19580	8.8
219.17430	17.0
221.15379	4.2
227.18051	6.0
229.19553	6.8
231.17461	4.9
233.19078	6.0
237.02846	3.2
237.16254	3.6
241.19446	3.6
243.21158	6.1
245.19102	4.7
246.88200	2.9
267.21100	3.2
271.20639	3.5
273.22351	3.2
281.22574	3.6
285.22086	5.2
299.23737	4.2
338.28934	2.7
369.15958	5.2
381.31763	5.1
403.34015	4.5
409.34766	8.9
421.34732	38.6
439.35815	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24422	1.0
55.05509	10.1
57.07064	3.4
65.03915	1.4
67.05506	13.4
69.07063	17.0
69.32172	9.1
69.32575	2.6
73.58782	1.1
74.13658	1.3
79.05491	8.8
81.07054	33.9
83.08611	8.8
91.05474	10.1
93.07042	24.9
95.04948	1.7
95.08604	54.1
97.06481	1.9
97.10183	3.9
98.21498	2.5
105.07030	24.8
107.07859	2.4
107.08589	40.6
109.06525	1.1
109.10156	34.7
111.08057	1.4
119.08576	45.9
121.10139	39.2
121.87853	1.2
123.08089	1.4
123.11707	14.5
126.57938	1.2
129.07024	1.5
131.08571	5.3
133.10123	33.6
135.08054	1.9
135.10683	1.8
135.11682	29.0
137.09544	1.2
137.13271	8.2
139.07532	1.9
143.08553	2.2
145.10098	9.1
147.11688	31.4
147.12791	2.5
149.13231	20.6
153.09151	6.5
157.10129	2.5
159.11694	6.6
161.13248	19.7
162.14032	1.1
163.14830	9.8
165.09123	1.5
167.10675	3.7
171.11736	1.9
173.13245	5.3
175.14847	11.9
177.16356	6.9
179.10658	2.6
179.17941	1.3
185.13239	2.2
187.14827	3.7
189.16370	52.6
191.17944	68.5
192.18230	1.5
201.16399	14.7
203.17946	100.0
204.18262	1.5
205.19504	21.5
207.17419	2.5
213.16370	2.2
215.17940	7.8
217.15898	1.8
217.19469	14.4
221.18959	5.1
227.17921	2.9
227.65736	1.2
229.19545	2.2
231.17459	1.8
231.21078	3.4
235.16846	7.0
241.19615	2.5
243.21010	2.3
245.22655	3.6
247.16925	4.8
249.18503	14.7
255.20969	1.4
257.22635	3.1
261.18417	3.8
269.22794	1.9
275.20004	2.3
393.35068	7.1
421.34763	1.7
439.35727	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.2
51.48266	0.9
53.03937	2.6
55.05505	11.5
56.96551	1.2
57.03421	1.4
57.07059	3.2
62.96083	1.0
65.03945	2.5
67.05502	32.1
69.03421	2.7
69.07063	18.0
69.90671	1.5
69.91081	4.2
70.52716	1.1
71.04994	1.8
71.08624	2.2
72.08137	3.4
77.03923	1.1
79.05488	19.7
81.07055	58.1
83.04963	2.6
83.08620	8.3
85.02861	1.3
85.06538	1.7
88.54893	1.0
91.05476	27.8
93.07039	53.2
95.04961	5.1
95.08603	100.0
97.02882	1.2
97.06535	12.2
97.10176	5.6
98.21408	2.1
101.30362	1.0
103.05397	1.3
105.04530	0.9
105.07028	56.6
107.04924	1.6
107.08594	66.9
109.06516	4.1
109.10155	57.3
110.10551	1.2
111.08083	13.9
111.11685	1.6
112.11208	1.1
113.09626	1.3
115.05374	1.7
117.07005	8.6
119.01912	4.2
119.04935	7.6
119.08578	62.7
120.05222	2.5
121.06503	1.5
121.10137	48.8
123.08060	2.2
123.11691	19.3
125.09641	3.7
128.06227	1.7
129.06984	3.3
130.07782	1.8
131.08572	21.9
133.10129	45.6
135.08035	1.5
135.11697	33.2
137.09627	3.3
137.13222	4.4
139.11189	4.0
142.07765	3.1
143.08563	10.1
144.09343	3.2
145.10123	40.6
147.04410	38.7
147.11687	40.9
148.04738	22.0
149.09583	1.3
149.13266	28.8
151.11150	3.5
151.14856	1.8
153.12730	1.4
155.08577	3.2
156.09343	3.0
157.10121	14.7
158.10901	2.4
159.11685	39.6
160.12413	1.7
161.09669	1.7
161.13249	38.0
163.11197	2.4
163.14835	11.7
165.12778	3.9
167.14339	1.6
169.10083	7.2
170.10904	1.5
171.11688	12.4
173.13260	27.0
175.11147	1.3
175.14830	27.2
177.12813	3.1
177.16368	15.0
179.14305	4.8
181.10178	1.1
183.11679	4.7
185.02995	1.1
185.13232	13.7
187.04456	1.7
187.14822	20.8
189.12767	1.2
189.16370	23.2
191.14359	3.5
191.17992	5.7
193.15872	6.5
194.10899	1.2
195.11754	1.6
195.17455	1.6
197.13307	5.7
197.14833	1.3
199.14830	12.2
201.16385	20.6
203.14285	4.1
203.17924	18.2
204.10202	14.6
205.10564	13.2
205.15871	16.6
205.19547	1.9
207.17422	8.3
209.13333	2.1
211.14816	5.3
213.16373	11.1
215.17947	16.5
217.15913	5.7
217.19514	9.8
218.11852	1.5
219.12047	1.2
219.17429	11.6
221.18953	1.8
223.14845	1.4
225.16362	4.2
227.17924	9.3
229.15953	1.3
229.19470	6.8
231.17473	10.1
231.21109	1.7
233.18999	10.2
235.20648	2.0
236.26746	1.1
237.16367	1.5
239.17877	1.8
241.19475	5.5
243.17480	3.5
243.21060	3.5
245.05092	2.2
245.19031	10.5
247.20544	3.7
251.17862	1.1
253.19620	2.8
255.21086	3.8
257.18933	3.7
257.22632	1.7
259.20682	6.3
259.22913	1.2
263.06155	1.9
267.21072	3.2
269.22672	3.3
271.20676	6.5
273.22177	7.7
277.21729	1.8
279.21051	1.4
281.22589	2.1
285.22128	12.1
287.23761	2.6
292.20142	1.9
293.20483	4.1
295.24222	1.8
297.22198	1.9
299.23669	6.3
301.24994	1.4
311.27258	1.3
313.25156	2.4
319.05136	3.8
325.25110	2.0
327.26889	1.5
363.30319	2.5
381.31458	8.6
391.33542	1.6
403.33466	3.0
409.34564	4.6
418.22247	1.5
421.34610	32.3
422.21744	1.1
439.24133	34.5
439.35687	78.6
440.20517	1.7
440.36111	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54015	2.7
55.05508	5.7
57.07073	2.9
67.05491	17.4
69.07057	15.1
69.75803	5.1
69.76225	13.4
73.31511	2.3
77.03970	2.7
79.05478	13.1
81.07053	41.4
83.08611	6.3
89.06029	4.7
91.05473	13.4
93.07044	37.4
95.08599	100.0
97.10141	3.7
105.07021	22.7
107.08578	43.5
109.06480	4.1
109.10146	35.5
111.08070	12.7
117.06999	4.3
119.08567	33.2
121.10139	31.5
123.11707	17.2
125.09605	5.7
131.08582	6.8
133.10109	34.5
135.11684	37.7
137.13283	3.6
139.11165	7.3
143.08559	2.9
145.10126	13.0
147.11694	15.9
149.09627	4.5
149.13281	16.0
151.11156	4.0
157.10114	6.0
159.11693	20.5
161.13240	10.2
163.14763	6.6
165.12831	3.3
171.11673	4.7
173.13254	9.0
175.14804	11.0
177.16362	7.6
183.11667	4.6
185.13283	3.1
187.14845	8.0
189.16376	6.5
191.14304	3.9
191.17943	5.8
191.97284	2.9
193.15977	5.5
195.11693	3.1
195.17383	5.5
197.13258	5.2
199.14830	7.3
201.16373	11.1
203.17998	7.6
205.15833	4.6
213.16341	4.1
215.17958	6.4
217.19484	3.3
217.80357	2.5
219.17448	5.2
227.17842	8.2
231.17418	3.9
233.19032	4.0
236.75764	2.9
245.19069	20.5
255.21002	3.6
267.20905	3.5
271.20599	6.8
273.22131	9.8
283.20413	4.7
285.22101	9.9
299.23856	5.2
312.25793	2.8
337.29999	2.7
381.31653	4.4
421.34756	12.0
439.35712	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
65.03947	1.5
67.05502	9.8
69.03431	9.3
69.07051	4.0
71.05186	1.8
72.08156	10.7
73.08472	1.3
79.05486	6.4
81.03421	2.4
81.07052	16.2
83.08601	2.7
84.08124	2.2
85.02944	1.3
91.05479	13.5
92.05795	1.7
93.07034	13.0
95.04971	2.2
95.08606	24.9
97.02928	1.7
97.06510	2.4
97.10197	1.2
105.07042	16.3
107.05009	1.0
107.08591	16.0
109.02863	1.6
109.06525	1.5
109.10146	13.8
111.08082	3.9
112.05080	9.5
112.11244	3.2
113.11541	1.3
117.06976	1.4
119.04946	24.6
119.08585	16.4
120.05271	9.5
121.10128	12.3
123.11699	5.3
125.09615	1.2
127.03896	2.2
129.13847	2.2
131.08533	5.9
133.10126	13.9
135.11679	8.1
135.70236	1.1
137.13254	1.4
143.08536	3.4
145.10138	9.6
147.04407	100.0
147.11674	11.3
148.04738	52.4
149.04941	1.1
149.13281	7.2
151.11159	2.2
155.08492	1.6
157.10143	4.6
159.11705	10.9
161.13295	7.4
163.14819	3.9
165.12785	1.2
169.10185	1.1
171.11705	3.6
173.13251	6.4
175.14824	6.0
177.16379	3.0
179.14249	1.4
183.11662	2.4
185.13258	3.0
185.38531	1.0
187.14803	4.8
189.16365	4.8
191.14368	1.6
193.15683	1.0
197.13261	1.4
199.14844	2.9
201.16396	5.4
203.17932	3.4
204.10205	33.0
204.12032	1.7
205.10538	28.4
205.15881	3.9
206.10947	1.3
207.17555	1.8
211.14847	1.7
213.16380	3.0
215.17892	5.1
216.12556	1.1
217.19562	1.4
218.11801	3.9
219.12053	3.6
219.17430	2.5
225.16693	1.2
229.19641	1.5
231.17520	1.9
233.18922	1.7
245.18922	2.5
259.20618	2.0
267.21164	1.4
271.20493	1.7
273.21997	1.6
275.17502	1.5
276.18002	3.6
277.21603	2.5
285.22086	2.5
292.20233	6.0
293.20444	14.7
299.23563	1.5
409.34668	1.3
409.89841	1.1
421.34677	10.1
439.24182	75.1
439.35608	21.0
440.24619	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	3-Oxo-tirucalla-7,24-dien-21-al
Peak:m/z	Relative Intensity
51.08443	1.4
53.03932	2.2
55.05505	9.7
57.07081	6.7
58.40390	1.3
67.05506	23.3
67.10880	1.3
68.23116	1.3
69.07070	15.0
69.71453	8.7
70.31882	1.2
79.05482	13.6
81.07056	38.8
83.04980	2.6
83.08611	6.8
91.05477	13.8
93.07045	40.2
93.10678	1.4
95.04969	2.3
95.08602	100.0
96.08922	1.6
97.06528	8.2
97.10166	3.2
98.21474	2.7
105.07024	32.0
105.07676	2.5
107.08591	53.9
108.08932	1.6
109.06525	6.3
109.10153	35.3
111.08076	20.9
117.06989	2.5
119.08569	44.2
121.10140	39.9
123.08060	3.1
123.11702	17.3
125.09643	5.9
128.06293	1.7
129.07079	2.7
130.07811	1.5
131.08560	14.8
133.10130	32.1
133.11084	2.5
135.11685	29.8
137.09621	3.1
137.13225	6.7
139.11168	29.1
142.07793	1.7
143.08559	6.5
145.10114	23.3
147.11691	25.7
149.13261	29.8
151.11214	4.9
153.12796	3.2
155.08560	2.2
157.10127	9.9
159.11688	21.5
161.13231	28.3
163.11211	6.0
163.14825	10.9
165.12772	5.6
167.14368	1.8
169.10167	4.6
171.11662	10.9
172.12369	1.8
173.13252	18.2
175.14803	18.3
177.12822	4.1
177.16379	10.6
183.11768	4.4
184.12444	2.0
185.13232	8.3
187.14845	18.9
189.16399	12.6
191.14325	5.1
191.17963	3.7
193.15913	5.5
195.11778	1.7
195.17575	4.0
197.13275	3.8
199.14771	9.0
201.16370	22.6
203.14261	2.7
203.17993	9.6
205.15846	8.5
207.17506	4.6
211.14838	4.6
213.16400	7.1
215.17957	14.2
217.15912	2.6
217.19614	4.0
219.17447	17.9
221.19069	1.7
225.16409	5.8
227.17943	14.5
229.15909	1.4
229.19447	3.1
231.17477	5.9
233.19006	4.1
239.18022	4.4
241.19559	4.4
243.17487	3.6
243.21133	2.1
245.19022	25.1
253.19508	4.0
255.21127	4.6
257.19009	3.8
259.20523	3.6
261.22162	2.8
267.21194	2.6
269.19122	2.4
269.22729	5.4
271.20563	6.5
273.22177	13.2
281.22720	2.4
283.20737	2.2
283.24310	2.1
285.22205	9.5
287.23846	4.6
293.22974	1.8
299.23743	7.8
301.25183	2.2
310.93784	1.6
313.25330	1.7
347.26392	2.0
363.30545	2.4
381.31628	9.4
403.33667	3.6
409.34424	7.3
421.34644	27.8
439.30029	3.2
439.35815	45.1
440.36115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05519	9.5
57.07070	2.1
67.05511	19.2
69.07071	15.3
70.25190	8.1
79.05485	16.3
81.07061	44.8
83.04997	3.2
83.08611	8.1
91.05487	17.2
93.07050	37.5
95.04988	3.2
95.08607	100.0
97.06533	6.0
97.10189	5.0
98.20730	2.0
105.07030	43.3
105.07674	3.3
107.08599	52.5
109.06521	4.9
109.10160	53.4
111.08059	14.7
117.07008	3.2
119.08584	46.4
121.10146	39.7
123.11716	18.4
125.09628	4.8
131.08571	16.1
133.10129	33.5
135.11708	31.7
137.13309	3.4
139.11232	5.3
139.43547	1.7
143.08600	5.8
144.09322	2.5
145.10144	25.9
147.11697	32.0
147.12807	3.5
149.13254	18.0
151.11247	3.9
155.08582	2.3
157.10152	11.2
158.10905	2.2
159.11690	25.1
160.05017	1.9
161.13272	28.7
163.14856	7.5
165.12773	4.6
169.10135	3.2
171.11707	7.9
173.13271	19.1
175.14827	19.3
177.12830	4.5
177.16397	10.7
183.11711	4.1
183.14391	2.0
185.13321	6.8
187.14836	9.4
189.16373	22.5
191.17961	14.4
193.15831	9.1
195.17459	3.0
197.13319	4.7
199.14816	9.4
201.16402	18.1
203.17970	27.2
203.19713	2.9
205.15913	9.5
205.19591	4.0
207.17445	7.9
213.16402	8.5
215.17984	15.0
217.15881	6.3
217.19588	8.6
219.17470	7.5
225.16502	2.8
227.17987	7.9
229.19577	4.4
231.17430	5.3
231.21120	2.3
233.19016	6.7
239.18140	3.3
241.19553	3.6
243.17606	4.5
243.20921	2.4
245.19058	23.5
247.20667	2.3
249.18585	6.2
255.21156	3.7
257.19040	4.0
259.20599	6.5
267.21246	2.3
269.22604	3.3
271.20618	5.6
273.22101	16.2
285.22147	8.8
287.23764	5.1
299.23758	7.6
300.03940	2.0
363.30170	3.1
365.28775	2.0
381.31464	6.4
403.33920	2.4
409.34799	2.7
421.34598	20.7
439.35760	64.0
450.72815	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18819	1.8
55.05514	9.6
57.07075	8.7
67.05509	20.7
67.07076	1.6
69.07067	17.5
69.41206	1.9
69.41515	17.3
71.08637	2.6
73.95480	1.6
79.05520	9.0
79.70562	1.5
81.07056	72.6
83.08642	11.4
91.05496	7.0
93.07054	13.3
95.08605	100.0
97.10183	5.7
105.07008	11.2
107.08609	17.9
109.10160	38.8
111.11731	3.6
117.07025	2.9
119.08582	13.4
121.10153	12.2
123.11709	36.9
129.06975	2.7
131.08553	7.7
133.10110	8.9
135.11697	7.5
137.13255	58.5
143.08572	5.3
145.10115	9.3
147.11676	5.8
149.13277	6.7
151.14790	3.7
157.10144	6.1
159.11716	5.8
163.14848	3.1
171.11664	9.1
173.13287	7.6
175.14865	6.3
177.16351	3.0
179.17976	10.3
185.13272	7.0
187.14854	6.8
189.16321	2.7
191.17952	2.1
199.14795	10.1
201.16394	7.5
203.17914	4.1
205.19495	2.7
213.16399	10.6
215.17987	6.6
217.12279	2.1
217.19812	1.8
227.18011	4.4
229.19489	2.1
241.19437	9.6
243.21143	5.5
255.20911	4.7
259.16910	8.8
269.22571	4.5
287.20135	3.5
393.35123	23.2
394.49597	2.1
439.35922	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.1
55.05500	16.6
56.96550	3.8
57.35126	3.8
60.08142	4.5
67.05506	27.4
69.07069	25.2
70.22002	13.3
79.05485	24.7
81.07049	45.7
83.04947	4.5
83.08610	8.1
83.45766	4.1
85.02900	4.9
86.09698	7.3
91.05455	33.1
93.07052	40.7
95.04939	11.1
95.08611	67.3
97.06526	4.2
97.10171	6.8
104.10737	13.8
105.07032	48.1
107.08583	64.3
109.06501	10.5
109.10155	39.3
111.08100	6.7
117.06963	7.9
119.08585	57.0
119.09370	7.8
121.10143	47.8
123.08050	7.9
123.11658	18.5
124.99973	3.9
128.06219	5.9
129.07011	5.5
131.08568	20.7
133.10136	38.0
135.08011	8.2
135.11687	32.6
137.13293	4.7
142.07697	4.4
143.08536	17.2
144.09323	5.0
145.10130	39.4
147.11671	30.5
149.13217	15.0
151.07494	5.4
151.11179	4.4
155.08418	5.2
156.09343	5.7
157.10153	25.1
158.10812	4.7
159.11676	26.2
161.09599	5.6
161.13229	18.3
163.11150	4.2
163.14771	17.9
169.10092	4.8
171.11671	12.9
173.13274	23.4
175.14838	17.6
179.14247	6.0
183.11626	5.6
184.07355	12.8
185.13228	10.6
187.14824	19.5
189.16415	18.5
191.17885	20.9
193.05017	5.5
194.05235	4.9
197.13301	6.8
199.14790	18.8
201.16446	5.3
203.17934	14.9
205.15770	8.3
207.17494	4.7
213.16399	14.2
215.14369	5.2
215.17935	10.4
217.15904	9.2
217.19649	5.0
229.15849	6.0
231.17392	19.3
253.19490	5.4
365.09488	5.0
403.33459	7.5
409.34442	5.4
421.34781	31.8
439.13794	17.6
439.35757	100.0
440.14462	5.9
440.27988	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38962	1.9
53.03923	3.9
53.98749	1.8
55.05505	24.0
56.24489	2.5
57.03472	2.1
57.07073	5.0
58.95706	1.9
65.03925	2.6
66.30001	1.8
67.05502	30.3
69.03439	4.8
69.07059	22.6
69.65115	6.2
69.65530	7.0
70.06613	4.7
71.05002	2.5
79.05492	33.2
81.07054	73.4
83.04996	2.7
83.08611	9.9
85.02895	3.5
91.05479	25.8
93.06456	4.5
93.07042	65.9
95.04954	7.3
95.08604	86.4
97.06573	3.7
97.10167	6.5
98.20839	2.6
99.04447	2.2
103.05467	2.9
105.07027	60.6
106.86861	2.2
107.04978	4.5
107.08592	75.2
109.06529	6.4
109.10155	62.3
111.08028	4.3
115.05415	2.9
117.07014	6.9
119.04996	2.2
119.08581	81.8
121.06490	2.7
121.10142	77.7
123.08060	9.2
123.11700	30.8
125.09566	2.4
128.07083	2.4
129.06996	6.4
131.04924	2.7
131.08549	20.8
133.10126	75.0
135.11682	36.4
137.05998	4.1
137.09618	3.5
137.13240	6.6
142.07751	4.9
143.08562	18.3
144.09311	5.0
145.10129	37.0
146.10855	2.3
147.08028	5.6
147.11679	41.4
149.09650	2.9
149.13254	27.0
151.07564	2.2
153.09163	3.2
155.08565	3.0
156.09349	6.6
157.10120	40.3
158.10896	2.9
159.11688	56.4
161.05984	4.1
161.09618	22.1
161.13269	37.4
163.14824	16.0
165.09048	3.2
168.09447	2.5
169.08739	3.2
169.10017	3.7
170.10907	9.6
171.11705	31.0
173.13271	24.2
175.11224	8.7
175.14810	46.3
177.09163	2.7
177.16386	100.0
179.10715	4.5
183.11678	5.7
185.09492	2.4
185.13255	30.2
187.11198	3.2
187.14819	23.2
188.15262	2.4
189.09097	5.7
189.12740	12.1
189.16386	76.2
191.14288	3.3
191.17952	38.6
193.08577	7.7
193.12224	2.7
195.10127	2.9
197.13307	5.8
199.14818	45.7
201.16348	18.0
203.14340	21.0
203.17944	65.7
205.12238	3.3
205.19547	9.0
207.10117	10.9
211.14868	2.8
213.16368	3.5
215.17964	6.4
217.12347	4.8
217.15898	33.3
217.19518	8.8
219.13791	2.7
221.15437	2.1
221.18967	2.5
227.17979	3.0
229.19594	3.2
231.13808	12.2
233.15408	6.5
235.17010	2.2
239.17891	3.5
245.15378	32.6
245.19194	2.2
247.16989	5.8
249.14915	8.0
249.18423	5.7
257.22635	3.8
261.18597	3.2
263.16367	14.7
285.18542	2.7
299.20078	2.4
315.19763	2.3
375.30511	2.5
393.35635	2.3
421.30692	15.2
439.31674	56.3
439.37128	3.2
440.27371	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	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05494	1.0
56.96553	1.0
57.17668	0.3
66.16096	0.3
67.05499	1.2
69.03427	0.7
69.07088	0.6
70.06599	0.5
70.85509	0.5
70.85851	0.7
73.14504	0.3
75.50267	0.3
77.07864	0.4
79.05502	0.6
81.03395	0.8
81.07059	2.2
83.08611	0.5
84.08121	0.4
85.02914	0.7
86.09713	0.5
91.05467	1.1
93.03166	1.1
93.07036	1.0
95.04961	0.6
95.08596	1.3
97.02872	0.5
97.06537	0.5
98.39741	0.3
105.07024	1.2
107.08578	0.8
109.02855	0.4
109.10164	1.0
119.08575	1.1
121.10149	0.6
123.11700	0.9
131.08574	0.6
133.10120	1.0
134.99734	0.6
137.06012	0.5
139.11130	0.4
140.44057	0.4
143.08578	0.6
145.10060	0.8
147.11748	0.5
148.29099	0.3
157.10176	0.5
159.08022	0.4
159.11737	0.5
161.09702	0.4
161.13176	0.5
163.03934	0.4
163.11223	0.4
175.14839	0.4
187.14827	0.4
201.03732	1.4
203.03413	0.6
203.05272	7.8
210.14923	0.5
213.08063	0.7
231.09047	1.0
248.03862	0.4
257.07056	0.6
259.16681	4.5
261.18265	2.3
275.07965	0.5
277.14047	0.4
277.17740	0.9
369.18713	2.4
428.62247	0.4
439.23053	100.0
440.23392	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	439.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
56.96553	1.0
57.17668	0.3
66.16096	0.3
67.05499	1.2
69.03427	0.7
69.07088	0.6
70.06599	0.5
70.85509	0.5
70.85851	0.7
73.14504	0.3
75.50267	0.3
77.07864	0.4
79.05502	0.6
81.03395	0.8
81.07059	2.2
83.08611	0.5
84.08121	0.4
85.02914	0.7
86.09713	0.5
91.05467	1.1
93.03166	1.1
93.07036	1.0
95.04961	0.6
95.08596	1.3
97.02872	0.5
97.06537	0.5
98.39741	0.3
105.07024	1.2
107.08578	0.8
109.02855	0.4
109.10164	1.0
119.08575	1.1
121.10149	0.6
123.11700	0.9
131.08574	0.6
133.10120	1.0
134.99734	0.6
137.06012	0.5
139.11130	0.4
140.44057	0.4
143.08578	0.6
145.10060	0.8
147.11748	0.5
148.29099	0.3
157.10176	0.5
159.08022	0.4
159.11737	0.5
161.09702	0.4
161.13176	0.5
163.03934	0.4
163.11223	0.4
175.14839	0.4
187.14827	0.4
201.03732	1.4
203.03413	0.6
203.05272	7.8
210.14923	0.5
213.08063	0.7
231.09047	1.0
248.03862	0.4
257.07056	0.6
259.16681	4.5
261.18265	2.3
275.07965	0.5
277.14047	0.4
277.17740	0.9
369.18713	2.4
428.62247	0.4
439.23053	100.0
440.23392	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	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85615	2.3
55.01878	3.4
55.05513	7.0
56.96561	5.4
57.07074	3.1
61.02929	5.0
67.05511	22.3
69.03430	15.9
69.07063	9.8
70.06590	10.1
71.04993	60.5
71.07386	2.6
71.60220	4.8
72.08147	2.6
73.02890	3.3
79.05499	7.7
81.03430	8.0
81.07056	72.1
84.08151	5.0
85.02908	28.6
85.06547	20.2
86.09730	4.9
87.00843	6.6
91.05467	8.9
93.07036	6.5
93.93663	2.6
95.04978	2.6
95.08602	67.3
97.02885	13.5
97.06537	3.5
97.51203	2.4
98.97535	3.3
99.04478	4.3
99.08080	3.4
105.01865	9.0
105.07029	8.4
107.04958	3.0
107.08594	4.0
109.02874	8.3
109.06506	3.9
109.10149	13.7
111.04449	2.7
111.08105	2.3
111.11658	2.6
119.08577	9.4
121.06462	4.4
121.10124	5.2
123.00786	4.9
123.04424	3.3
123.08043	4.1
127.03922	12.1
131.08514	4.5
133.10112	5.7
135.08026	4.3
137.05965	6.1
137.09657	2.4
137.13275	19.3
139.07547	2.4
141.01843	3.7
143.08572	2.5
145.04950	3.6
145.10133	4.4
147.04378	2.6
147.08107	2.4
147.11671	4.5
149.09612	2.7
151.07489	2.7
153.09172	3.1
155.14311	100.0
161.13324	3.1
169.01422	4.3
169.10095	2.8
173.13240	4.6
173.13766	3.6
173.15373	42.2
175.11273	3.6
175.14774	2.8
178.03807	3.7
191.14331	7.9
191.16444	17.3
219.01733	3.0
237.02777	2.4
245.10550	3.2
277.10950	3.1
285.10110	3.3
302.38068	2.6
410.12448	2.4
410.49844	2.5
421.16052	3.1
421.24222	3.9
439.19553	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01855	4.7
55.05508	7.5
57.03432	5.1
57.07056	5.3
61.02921	3.0
65.03944	1.5
67.05491	8.2
68.99780	4.1
69.03426	25.1
69.07068	12.0
70.06585	4.3
71.04980	1.5
71.60624	1.9
72.08143	1.3
73.02882	2.3
79.05471	11.9
81.03416	24.8
81.07055	17.0
83.04977	6.9
83.08610	4.5
84.08143	1.9
85.02903	21.7
85.06522	6.0
87.00826	6.2
91.05482	13.8
93.07038	15.5
95.04967	10.2
95.08586	14.0
97.02879	16.0
97.06522	7.6
99.04446	5.3
105.01856	5.1
105.07022	20.9
107.04932	6.0
107.08587	32.8
109.02869	20.5
109.06522	13.5
109.10158	13.7
111.04439	3.0
111.08085	4.0
113.91512	1.7
117.07012	6.4
119.08581	26.2
119.28624	1.6
120.08095	1.5
121.06491	7.2
121.10135	25.0
123.04430	1.9
123.08080	13.1
123.11684	3.1
125.05997	2.3
127.03916	17.0
128.06219	2.6
128.53850	1.5
129.01854	2.5
129.07014	2.9
131.08565	22.3
133.06522	2.2
133.10130	20.8
135.08057	17.0
135.11685	10.3
137.05980	7.3
137.09607	9.3
137.13213	1.4
143.08554	6.6
144.09349	2.0
145.06409	3.1
145.10138	13.8
147.08058	2.8
147.11696	16.0
149.05917	2.1
149.09648	11.3
149.13252	15.3
151.07507	4.7
153.09061	3.0
155.08557	1.7
156.09241	2.6
157.10114	3.0
158.10863	5.4
159.02928	4.0
159.08047	3.9
159.11720	4.6
161.05968	2.3
161.09596	4.3
161.13251	5.6
163.07542	3.0
163.11176	3.8
163.14810	8.5
165.12794	2.2
167.08484	2.1
171.11642	4.0
173.09662	4.7
173.13251	30.2
174.10403	1.4
175.11203	2.7
175.14819	14.5
177.12756	2.6
183.11617	1.7
185.09589	2.7
185.13228	2.7
187.11140	2.8
189.12755	7.1
189.66380	1.5
191.07016	2.1
191.14297	100.0
197.09686	2.5
197.13245	2.0
199.11234	2.0
201.12683	2.1
203.06824	1.4
207.13728	3.9
209.15338	4.5
213.03957	2.2
213.12640	1.9
227.14017	1.3
231.05003	2.9
233.15353	4.3
249.15082	1.5
257.15353	2.5
261.11166	2.2
275.16418	4.1
299.16400	6.1
307.61191	1.5
317.17480	3.8
335.18311	3.3
373.37000	1.5
377.19482	1.7
395.20728	2.2
403.17346	3.0
421.18262	5.4
421.24036	1.6
439.14188	2.5
439.19516	25.4
443.97025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73511	0.5
53.03944	1.1
55.01869	1.1
55.05497	1.8
57.03427	0.8
57.07077	0.8
57.14833	0.6
58.60701	0.5
59.91784	0.6
65.03915	0.8
67.05506	3.8
68.99767	0.7
69.03424	6.5
69.07047	1.9
70.69774	1.4
71.05004	0.8
79.05493	6.9
80.14042	0.6
81.03405	1.9
81.07053	5.9
82.55009	0.8
83.04967	2.5
83.08604	1.3
85.02892	2.7
87.00809	1.5
91.05483	6.2
93.07056	4.6
93.83615	0.8
95.04977	4.8
95.08601	2.4
97.02911	1.3
97.06506	1.1
105.01857	1.1
105.07028	9.6
107.04926	3.3
107.08594	18.8
109.02882	2.0
109.06499	2.4
109.10146	7.4
115.05414	1.4
117.07003	1.4
119.05939	0.6
119.08560	5.0
121.06499	2.0
121.10146	11.7
122.07294	6.4
123.08094	1.6
127.03942	3.0
129.06984	0.7
131.08548	3.8
133.10124	100.0
134.10468	0.9
135.08049	5.3
135.11676	1.3
137.05980	1.0
137.09610	52.2
138.09949	0.7
143.08514	1.3
145.04970	0.9
145.10072	1.9
147.08067	0.8
147.11659	2.4
149.09605	6.3
149.13231	7.9
151.11165	1.1
158.10927	2.2
159.11736	1.0
163.14854	2.0
171.11714	1.3
173.13255	6.1
187.11237	1.0
189.12723	1.1
191.14308	35.8
192.14664	1.1
201.12729	1.1
233.15439	1.0
256.57825	0.7
299.16370	1.5
335.18472	1.3
391.89859	0.8
421.18692	1.2
439.19095	1.7
443.85858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24044	0.5
53.03947	0.9
55.01884	0.6
55.05511	3.5
56.96521	0.6
57.03434	0.6
58.37589	0.5
67.05510	3.8
69.03073	0.6
69.03434	7.1
69.07085	2.8
70.06573	1.8
71.04997	0.8
71.60056	0.7
72.07663	0.5
79.05497	6.1
81.03416	2.1
81.07058	7.1
83.04966	2.5
83.08623	1.1
84.04504	1.1
85.02904	4.4
85.06528	0.6
86.09701	0.7
87.00829	1.8
88.57675	0.5
91.05497	7.7
93.07040	5.2
95.04967	4.2
95.08601	2.9
97.02886	2.1
97.06535	1.2
97.10187	0.7
98.09695	1.9
99.04421	0.9
100.07630	0.8
100.11256	1.9
103.05491	0.8
105.01849	1.3
105.07029	11.5
107.04942	3.6
107.08601	20.0
109.02889	2.8
109.06525	3.2
109.10162	6.9
111.04442	1.8
111.08024	0.8
115.05457	1.8
117.07015	2.7
119.08586	4.9
121.06506	1.9
121.10142	12.0
122.07276	4.7
123.04414	0.6
123.08073	2.1
124.48557	0.5
127.03907	3.4
128.07091	1.3
129.07010	1.5
131.08568	3.3
133.10135	100.0
134.10455	2.5
135.08043	5.7
135.11699	1.8
137.05984	1.3
137.09622	47.9
138.09999	1.3
140.07004	0.6
140.45345	0.7
143.08569	2.6
145.04997	0.9
145.10130	5.1
146.07277	0.5
147.04391	0.8
147.07956	0.9
147.11676	3.3
149.09633	7.3
149.13240	7.5
155.08585	0.5
157.10161	2.0
158.10869	1.5
159.07941	0.5
159.11716	2.0
161.13281	1.0
163.14839	2.0
168.13907	2.5
169.10152	1.1
170.15483	1.0
171.11711	2.7
173.09622	1.1
173.13284	6.9
175.11143	1.0
182.15442	1.8
187.11133	0.6
189.12729	0.8
191.14314	35.7
192.14658	1.0
196.13345	1.5
198.14905	1.9
199.11131	1.2
201.12750	0.8
203.14346	1.0
209.15378	0.7
210.14923	2.5
215.10796	1.1
215.14301	0.6
225.16148	0.7
231.04884	1.0
231.13689	1.1
233.15320	0.8
244.20201	0.8
249.97876	0.5
257.15222	0.6
263.14432	0.6
277.16467	1.0
278.13889	1.2
287.05426	0.8
295.23688	1.0
297.03998	1.4
317.17505	0.6
335.05530	1.2
335.18445	0.7
337.21210	1.3
347.05524	0.6
353.19452	0.7
359.15485	0.5
361.03387	0.8
375.14664	1.2
393.06125	0.7
421.05685	0.9
421.18475	1.4
422.30148	1.5
439.06665	4.0
439.24030	4.9
439.33240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05506	1.1
57.03423	0.9
57.77143	1.0
58.93367	1.0
61.02926	1.7
67.05504	2.6
69.03433	2.1
69.07075	1.0
70.06589	1.1
71.44147	1.9
79.05481	4.5
81.03421	3.9
81.07060	8.9
85.02926	4.3
85.03396	1.4
91.05482	9.3
93.07051	3.6
95.01331	3.5
95.04983	1.8
95.08639	2.1
97.02900	2.4
97.06493	1.4
98.98456	1.0
103.05486	1.3
105.07033	11.9
107.04959	2.6
107.08602	1.5
109.02911	1.3
111.04427	1.0
115.05452	2.9
117.07014	15.8
119.08581	3.5
121.10136	1.0
123.04453	1.2
127.03930	1.3
128.06247	3.4
129.07008	8.6
130.07777	5.8
131.08546	8.6
133.06454	0.9
133.10133	1.5
137.05934	1.1
138.09987	0.9
139.03925	2.9
141.06969	3.5
142.07787	4.8
143.08560	24.4
144.09306	1.2
145.10114	100.0
146.10466	2.8
147.08029	1.3
147.11649	2.1
151.03896	1.3
153.06929	1.5
154.07718	1.4
155.08554	7.3
156.09331	2.8
156.11160	1.1
157.06500	2.1
157.10120	19.1
159.11679	1.9
165.07050	2.2
166.07776	2.3
167.08559	2.0
169.10129	3.3
171.08098	1.9
171.11694	20.6
172.12515	5.3
173.09569	4.6
173.13255	6.0
175.11206	1.9
178.07822	1.2
179.08511	1.6
181.06557	1.0
181.10114	8.7
183.08025	1.2
183.11707	5.6
185.09605	5.3
185.13257	1.4
187.07582	1.3
187.11195	1.3
191.10680	1.7
191.14322	1.1
193.10193	2.7
193.12061	0.9
195.08122	1.2
195.11736	3.6
197.09575	1.7
197.13396	1.1
199.11188	13.9
201.03941	4.1
201.12689	1.3
203.10696	2.3
205.10059	1.8
207.11743	1.6
209.09718	1.6
211.11220	3.0
215.05424	1.2
217.12196	6.1
219.11682	1.1
221.13353	1.3
223.11226	3.0
225.12775	1.8
227.10670	8.5
229.12254	2.7
231.10030	1.2
237.09003	1.0
239.10823	1.3
241.12343	2.1
243.10754	0.9
247.11150	1.7
249.12726	1.8
251.10645	3.8
253.12177	1.5
255.10052	0.9
265.12259	1.5
267.10608	0.9
267.13708	2.6
267.16095	2.2
269.11752	1.4
281.11716	1.8
283.13324	2.3
285.14914	1.9
293.11768	2.0
295.13336	2.1
301.14301	2.5
311.12683	2.8
313.14105	1.8
315.12363	1.0
329.13803	7.5
347.14862	12.9
357.13354	7.8
375.14386	43.7
376.14835	0.9
385.12744	1.3
393.15390	3.6
403.13855	9.2
421.15149	2.4
439.14542	1.6
439.19360	2.6
439.24371	8.4
440.13742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1422
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
52.82916	0.6
71.58753	1.2
75.11474	0.7
75.99731	0.6
96.92229	25.3
110.93127	0.6
113.33395	0.7
133.03456	2.4
151.04559	0.9
157.03531	0.7
161.02982	0.9
173.02951	0.8
174.94075	1.6
175.04564	1.3
180.97429	3.9
185.04224	2.1
187.04523	1.5
192.97478	1.9
201.06116	1.1
203.05316	3.3
204.95145	1.0
210.98531	1.1
211.04601	0.8
216.95160	2.5
217.05688	1.5
221.99663	0.7
226.98422	0.7
234.96271	1.1
240.99611	1.7
276.97385	2.3
277.08954	25.9
295.08798	2.5
365.03079	0.9
365.10541	12.3
381.07996	4.3
382.96570	0.7
439.14230	100.0
440.14539	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05506	1.1
57.03423	0.9
57.77143	1.0
58.93367	1.0
61.02926	1.7
67.05504	2.6
69.03433	2.1
69.07075	1.0
70.06589	1.1
71.44147	1.9
79.05481	4.5
81.03421	3.9
81.07060	8.9
85.02926	4.3
85.03396	1.4
91.05482	9.3
93.07051	3.6
95.01331	3.5
95.04983	1.8
95.08639	2.1
97.02900	2.4
97.06493	1.4
98.98456	1.0
103.05486	1.3
105.07033	11.9
107.04959	2.6
107.08602	1.5
109.02911	1.3
111.04427	1.0
115.05452	2.9
117.07014	15.8
119.08581	3.5
121.10136	1.0
123.04453	1.2
127.03930	1.3
128.06247	3.4
129.07008	8.6
130.07777	5.8
131.08546	8.6
133.06454	0.9
133.10133	1.5
137.05934	1.1
138.09987	0.9
139.03925	2.9
141.06969	3.5
142.07787	4.8
143.08560	24.4
144.09306	1.2
145.10114	100.0
146.10466	2.8
147.08029	1.3
147.11649	2.1
151.03896	1.3
153.06929	1.5
154.07718	1.4
155.08554	7.3
156.09331	2.8
156.11160	1.1
157.06500	2.1
157.10120	19.1
159.11679	1.9
165.07050	2.2
166.07776	2.3
167.08559	2.0
169.10129	3.3
171.08098	1.9
171.11694	20.6
172.12515	5.3
173.09569	4.6
173.13255	6.0
175.11206	1.9
178.07822	1.2
179.08511	1.6
181.06557	1.0
181.10114	8.7
183.08025	1.2
183.11707	5.6
185.09605	5.3
185.13257	1.4
187.07582	1.3
187.11195	1.3
191.10680	1.7
191.14322	1.1
193.10193	2.7
193.12061	0.9
195.08122	1.2
195.11736	3.6
197.09575	1.7
197.13396	1.1
199.11188	13.9
201.03941	4.1
201.12689	1.3
203.10696	2.3
205.10059	1.8
207.11743	1.6
209.09718	1.6
211.11220	3.0
215.05424	1.2
217.12196	6.1
219.11682	1.1
221.13353	1.3
223.11226	3.0
225.12775	1.8
227.10670	8.5
229.12254	2.7
231.10030	1.2
237.09003	1.0
239.10823	1.3
241.12343	2.1
243.10754	0.9
247.11150	1.7
249.12726	1.8
251.10645	3.8
253.12177	1.5
255.10052	0.9
265.12259	1.5
267.10608	0.9
267.13708	2.6
267.16095	2.2
269.11752	1.4
281.11716	1.8
283.13324	2.3
285.14914	1.9
293.11768	2.0
295.13336	2.1
301.14301	2.5
311.12683	2.8
313.14105	1.8
315.12363	1.0
329.13803	7.5
347.14862	12.9
357.13354	7.8
375.14386	43.7
376.14835	0.9
385.12744	1.3
393.15390	3.6
403.13855	9.2
421.15149	2.4
439.14542	1.6
439.19360	2.6
439.24371	8.4
440.13742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24931	2.1
55.01858	4.6
55.05511	14.1
56.96568	2.9
57.03424	6.5
57.07062	5.6
62.05786	3.0
62.06089	32.0
63.49104	2.6
64.02779	2.5
67.05499	18.1
69.07076	15.0
69.75613	11.5
69.76024	4.6
70.06583	6.0
78.04277	2.9
79.05488	10.4
81.07047	15.2
83.08604	10.0
86.09685	2.8
91.05456	3.2
93.07053	13.0
95.08607	13.2
97.06515	8.4
97.10170	5.2
98.06058	4.7
98.20818	3.3
98.98454	12.6
102.09167	4.1
104.10746	6.0
107.08582	10.2
109.10131	5.7
112.03938	2.9
121.10125	12.6
123.11682	5.5
123.91197	2.8
129.05481	9.1
135.11700	9.0
140.03401	21.5
155.01024	9.8
163.03923	5.9
164.04279	3.8
184.07330	4.0
205.19530	6.8
207.06435	2.3
208.06848	5.2
209.07002	4.0
216.06429	2.5
220.74742	2.4
223.20518	5.4
228.94218	2.3
257.26743	2.4
258.27136	3.6
266.24783	11.2
280.29877	2.5
297.24228	100.0
298.24490	3.1
410.55219	2.5
438.19675	5.4
438.30722	17.0
439.30530	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2387
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.36906	0.1
53.03319	0.1
53.40871	0.1
55.05500	0.1
58.06592	0.6
59.57400	0.1
65.03922	0.5
67.05492	0.1
68.48840	0.1
69.83727	0.2
69.84139	0.2
70.06585	0.1
72.08150	7.0
73.08440	0.1
75.09235	0.4
79.05486	0.1
81.07037	0.2
84.08134	0.9
84.30726	0.1
89.10804	0.1
91.05474	6.6
92.05817	0.1
93.07027	0.1
95.04995	0.1
95.08601	0.3
98.06047	0.2
98.09631	0.1
100.07535	0.1
105.07016	0.2
107.04962	0.1
107.08578	0.2
109.10149	0.2
112.11237	2.6
116.98665	0.1
119.04932	19.6
119.08578	0.2
120.05265	0.4
121.10114	0.2
129.13873	1.4
129.14719	0.1
133.10136	0.2
145.10104	0.2
146.06012	0.2
146.16527	0.9
147.04398	100.0
148.04736	2.2
149.13141	0.1
155.11807	0.8
159.11711	0.2
172.14410	0.5
173.13139	0.1
175.14818	0.1
176.10689	0.1
203.11786	1.1
204.10184	47.9
205.10536	1.3
218.11742	5.2
219.12035	0.2
221.12779	0.9
235.14360	0.3
245.05067	0.2
247.14284	0.1
263.06125	0.1
274.19144	1.0
275.17508	3.4
279.69443	0.1
292.20163	11.7
293.20538	0.4
317.18738	0.1
318.18185	0.4
319.05142	0.2
342.09174	0.1
380.46408	0.1
385.76584	0.1
420.22766	1.0
421.21182	1.8
438.23837	51.0
439.24176	2.9
439.35315	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	438.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72215	1.9
55.01858	2.8
55.05497	7.2
56.96571	21.0
57.03426	7.2
57.07105	1.7
61.02925	11.9
61.74507	1.7
63.95541	1.5
65.27562	1.8
67.05502	8.8
69.03428	9.7
69.07072	3.6
69.71139	6.7
69.71568	6.5
70.71532	1.7
71.04985	2.1
73.02901	6.3
73.33765	2.2
79.05482	4.9
81.03420	17.1
81.07061	12.8
83.04977	5.9
83.08612	6.6
85.02903	20.5
85.06535	2.2
86.09678	2.3
91.03953	6.7
91.05501	10.0
93.07034	8.7
95.04958	5.7
95.08627	9.9
96.08889	2.3
97.02914	10.4
97.06534	3.0
98.20840	3.9
98.97575	5.0
99.04436	2.1
99.08060	2.1
101.02364	2.8
103.12404	1.7
105.07011	8.3
107.04960	4.0
107.08592	7.1
109.02866	2.7
109.10155	4.4
111.08073	2.8
116.98596	4.0
117.06967	2.7
119.08550	8.9
120.08096	4.5
120.08866	2.7
121.10188	4.8
127.03885	4.4
129.06998	4.2
131.08542	4.3
133.10114	5.6
134.99661	1.8
135.11690	2.2
137.13171	2.5
139.00635	2.2
145.10109	4.7
146.99637	2.7
147.11732	5.9
149.01205	3.8
151.11075	2.5
155.08566	16.5
157.10083	4.1
167.03952	1.7
173.13130	2.7
175.02733	2.1
175.11221	4.0
180.07173	2.9
185.04860	4.0
191.17981	4.0
193.12262	14.4
201.16350	4.3
202.16653	3.5
203.05864	9.8
210.14944	2.0
211.13318	20.1
219.05107	2.4
228.15916	3.7
231.06847	2.1
237.02744	2.5
237.07933	2.2
239.09509	2.3
243.08849	9.6
249.07974	3.4
250.09578	1.8
267.09012	47.9
267.15787	1.8
285.10101	100.0
285.16830	11.7
286.10416	9.2
296.10376	2.4
303.11182	4.4
308.11606	7.1
315.11105	2.8
324.11472	33.6
324.61792	9.6
438.34470	5.8
439.15515	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	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92797	3.6
55.01867	5.5
56.05033	12.1
57.03430	6.5
58.99583	13.9
60.21716	3.6
61.01144	4.5
69.03443	8.2
70.06589	6.2
71.51978	8.9
74.00664	9.4
76.02228	18.1
76.04003	5.6
80.05013	5.0
84.04506	82.7
85.01124	28.1
85.02906	13.2
86.00646	29.1
86.99052	69.9
88.53828	4.0
93.07043	5.4
97.01157	5.3
97.06542	17.3
98.97575	4.5
102.03766	14.1
102.05526	13.2
105.07016	9.7
112.02190	32.3
114.03760	11.9
114.05503	4.1
116.01688	15.8
116.98598	4.7
119.08624	4.7
120.08086	4.3
121.10210	4.3
123.08068	4.7
128.98601	5.2
130.03207	13.6
130.05003	23.2
131.08531	3.8
134.99657	4.6
142.03236	18.0
143.02742	28.7
146.99675	6.5
152.05217	4.9
153.06577	4.1
155.08128	8.1
158.02763	7.8
159.11679	13.5
161.01282	5.5
161.13246	7.9
162.02220	10.3
169.04347	5.7
170.06389	9.0
171.02324	7.3
171.08078	4.1
177.03314	9.5
177.12758	14.4
179.04779	6.1
189.03300	100.0
196.04388	10.5
205.06491	8.1
205.12282	6.9
206.08458	5.4
215.04863	35.7
217.06403	9.5
221.52954	3.8
223.13280	22.3
233.05875	11.3
237.02858	10.8
241.14333	8.0
257.09631	9.1
271.10904	4.5
287.06998	15.0
291.09973	32.0
322.96957	5.0
388.77896	4.2
397.04611	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	437.3413
Annotation	Alertenone
Peak:m/z	Relative Intensity
54.55444	2.8
55.05501	11.1
56.96581	2.8
57.07074	13.3
66.51331	2.5
67.05500	32.1
67.69247	3.4
69.07067	22.8
71.59136	3.2
73.27624	3.4
78.17091	2.8
79.05475	19.0
81.07057	46.3
83.04984	9.1
83.08623	8.4
91.05491	16.1
93.07048	41.0
95.04971	5.5
95.08598	59.0
97.06516	5.7
97.10157	3.0
99.08115	4.6
101.07868	2.6
105.07022	37.9
107.08587	54.8
109.06526	8.5
109.10153	44.7
109.10833	5.3
111.08086	11.5
111.11662	2.6
117.07033	12.2
119.08569	56.4
119.09341	4.3
121.10138	60.3
123.08097	5.8
123.11694	26.8
125.09663	3.1
129.06956	6.6
131.08562	24.1
133.10118	39.7
135.08075	4.5
135.11700	20.4
137.09674	3.9
137.13254	7.9
139.11179	35.1
143.08525	15.9
145.10117	46.0
147.11679	24.6
149.13245	20.2
151.11189	4.9
155.08594	10.6
156.09286	3.2
157.10103	29.3
159.11681	35.4
161.13257	24.0
163.11183	5.2
163.14827	16.2
165.12727	7.2
169.10168	11.4
171.11671	16.3
173.13219	24.6
175.14809	19.2
177.12695	3.1
177.16322	6.3
179.14326	7.4
181.10159	7.1
183.11682	16.1
184.12318	3.8
185.13283	21.7
187.14844	30.7
189.16490	13.2
191.14334	5.1
191.17995	4.9
193.15836	5.5
195.11649	4.7
196.12505	3.7
197.13287	10.6
199.14810	11.0
201.16377	14.1
203.17996	12.6
205.15913	10.8
209.13312	6.7
211.14906	9.2
213.16434	10.7
215.14362	3.5
215.17958	13.7
217.15880	7.4
219.17377	3.8
221.19118	3.5
223.14876	8.4
225.16360	14.6
227.17935	11.1
229.19598	5.5
231.17500	6.8
233.19032	6.3
235.15013	2.7
237.03050	3.0
237.16353	7.5
239.17932	8.7
241.19493	5.5
245.18970	6.6
251.17964	6.2
253.19472	5.6
255.21085	4.2
257.18878	6.9
259.20740	4.8
265.19556	6.8
267.21088	7.3
271.20639	10.0
279.03952	4.7
279.21194	3.2
281.22623	3.4
283.20593	20.9
285.22186	7.2
293.13336	9.5
297.22177	4.7
299.23663	4.5
307.21005	3.2
319.24252	5.2
349.25128	3.1
361.28812	6.6
363.26834	5.1
379.30048	21.5
391.33838	3.0
401.32089	8.5
407.33005	3.1
419.33066	100.0
420.33484	7.0
437.34198	96.8
438.34427	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
56.06749	2.8
57.07068	6.2
59.07352	2.7
67.05508	24.3
69.07069	23.6
71.13399	6.3
79.05499	12.4
81.07050	47.1
83.08610	10.0
91.05486	14.6
93.07043	21.3
95.08604	77.5
105.07023	25.4
107.08590	34.2
109.10151	39.4
112.52599	3.0
117.07050	4.2
119.08591	48.3
121.10132	28.0
123.11691	24.5
131.08533	15.4
133.10144	19.0
135.11696	17.3
135.48091	3.2
137.13255	9.9
143.08577	7.4
145.10138	34.3
147.11694	27.9
149.13242	14.7
151.14798	6.1
157.10188	7.8
159.11687	23.7
161.13235	17.7
162.01524	3.8
163.14847	15.5
169.10201	7.2
171.11668	10.5
173.13272	16.4
175.14825	26.8
177.16402	10.3
179.10608	3.1
183.11757	8.7
185.13289	10.1
187.14798	10.1
189.16397	20.0
191.17986	11.4
197.13206	8.2
199.14847	10.1
201.16364	27.6
203.17966	17.5
211.14729	3.3
213.16371	9.9
215.18007	18.1
217.19456	7.8
217.63525	3.4
225.16385	7.0
227.17928	5.5
229.19409	5.1
239.17970	8.9
241.19452	16.7
243.21172	11.8
247.16776	4.5
253.19473	6.9
255.21082	6.2
259.20694	3.7
267.21060	6.4
285.18515	11.1
287.20029	6.2
295.24219	6.3
299.19894	5.9
321.25623	4.6
369.27884	3.2
391.33578	26.0
437.34219	100.0
438.34375	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.9
55.17811	4.0
56.96558	4.7
57.07071	10.6
67.05509	34.5
69.07062	27.6
70.06578	5.6
70.78040	8.9
70.78391	6.1
74.06557	3.9
74.74271	3.8
78.98450	3.3
79.05488	16.0
81.07054	63.9
83.08636	9.2
91.05479	18.6
93.07031	28.4
94.50757	3.7
95.08601	100.0
97.10123	4.8
105.07019	34.1
107.08590	37.8
109.06447	4.7
109.10152	45.3
115.01009	4.0
117.06979	7.1
119.08568	52.9
121.10141	26.3
123.11658	20.0
129.07047	4.3
131.08539	18.8
133.10144	23.6
135.11673	15.1
137.13242	13.9
143.08554	9.0
145.10143	41.7
146.18463	4.7
147.11674	26.2
149.13252	21.0
151.14806	13.7
157.10086	13.2
159.11668	18.4
161.13268	16.8
163.03931	10.0
163.14859	19.2
164.04213	5.2
168.85593	3.9
169.10115	7.2
171.11688	20.5
173.13234	20.7
175.14815	35.6
177.16402	9.7
183.11710	7.4
185.13210	7.6
187.14803	9.0
189.16367	22.5
191.17917	16.9
197.13278	8.4
199.14816	15.4
201.16335	28.9
203.18021	18.5
207.06422	9.5
208.06824	7.5
209.13255	5.6
211.14749	6.1
213.16382	10.5
215.18021	9.3
217.19569	4.0
224.39375	4.1
225.16364	4.8
227.17918	6.8
229.19557	7.4
237.16345	4.2
239.17908	7.1
241.19511	26.4
243.21100	13.9
247.16824	4.6
253.19507	11.1
253.79230	3.9
255.21080	9.3
259.16937	6.3
265.19354	5.3
267.20941	8.2
285.18436	9.1
287.20038	4.0
295.24069	7.1
299.20056	5.6
301.21616	4.0
307.24179	4.9
313.21567	4.9
335.27145	6.2
353.24716	4.2
367.26208	6.4
391.33508	30.5
437.34479	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.05508	18.8
57.03422	3.0
57.07061	4.3
64.66100	2.0
67.05504	32.9
69.03429	4.8
69.07062	23.3
69.19621	2.0
70.19566	9.9
79.05492	16.4
79.37006	2.0
81.07053	54.7
83.08622	11.2
83.25668	2.3
91.05475	25.3
93.07038	36.7
95.04978	6.0
95.08602	85.4
96.00299	2.2
97.02895	2.1
97.06519	6.5
97.10165	6.3
105.07023	52.0
107.08589	51.5
109.06501	6.1
109.10152	58.6
109.10899	2.9
111.08145	3.7
117.07014	7.5
119.08579	100.0
121.10137	43.3
123.08029	4.9
123.11684	18.4
128.06219	2.5
129.07034	5.9
131.08549	25.9
133.10132	58.9
135.08081	2.3
135.11684	23.7
137.13251	17.2
143.08546	12.0
145.10121	40.0
147.11682	38.9
149.13271	15.7
150.29704	2.2
151.14827	3.1
155.08557	4.5
157.10098	19.9
159.08060	4.3
159.11696	39.3
160.12405	2.5
161.09641	3.1
161.13242	37.1
163.07578	3.2
163.11195	5.4
163.14772	14.5
167.08398	2.7
169.10184	4.2
170.10934	2.8
171.11684	14.4
173.09610	3.8
173.13248	25.7
175.11133	2.7
175.14809	27.0
177.12752	2.3
177.16403	12.3
183.11694	8.7
185.13271	13.8
187.14813	26.7
189.16383	42.3
191.10663	2.4
191.14418	2.6
191.17914	24.7
193.15981	2.6
197.13245	6.0
199.14865	12.1
201.16383	56.9
203.14276	3.1
203.17934	37.8
205.15810	4.8
211.14862	4.9
213.16393	8.7
215.17949	18.9
217.19516	7.5
219.13635	2.7
219.17494	6.3
221.15393	7.0
225.16504	3.8
227.17979	5.4
229.15874	3.7
229.19469	5.3
231.13829	5.5
231.21065	2.5
233.15421	6.9
239.18019	7.5
241.19530	4.4
243.21156	5.1
247.16942	18.3
253.19589	5.3
255.21117	3.7
257.18890	2.5
259.16983	2.5
267.21188	2.3
285.18399	4.2
287.05554	6.6
299.19980	3.2
301.21759	3.3
313.21454	3.5
327.23392	3.8
367.26459	3.1
391.33600	10.0
419.33185	10.4
437.25043	5.0
437.34161	89.9
438.34616	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	437.341
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05505	12.1
57.03418	2.8
57.07079	3.0
65.03941	2.2
67.05509	20.8
69.07072	12.2
71.60084	4.3
77.49862	2.2
79.05489	16.4
81.07055	47.3
83.04979	3.4
83.08619	7.0
91.05481	18.8
93.07043	42.2
95.04993	4.7
95.08607	70.7
97.06528	2.8
103.05487	2.7
105.07032	51.3
107.08593	56.8
109.06491	7.6
109.10145	42.7
111.08081	15.9
117.07020	6.5
119.08582	54.8
121.10134	38.6
123.08087	4.1
123.11700	11.9
128.06261	2.8
129.07045	5.1
130.07776	3.1
131.08577	29.7
133.10127	44.3
135.11708	23.8
137.13278	3.6
142.07774	4.4
143.08592	10.0
144.09323	3.8
145.10120	37.4
147.11694	36.5
149.13272	20.9
155.08585	3.3
156.09325	3.4
157.10109	14.9
158.10957	3.4
159.11697	47.9
161.13248	26.8
163.14853	11.0
165.12820	3.7
169.10150	6.1
170.10876	3.1
170.26630	2.3
171.11697	16.6
172.03127	2.3
173.13248	30.5
175.14783	16.3
177.12752	5.6
177.16397	10.6
179.14424	3.4
183.11746	4.3
185.13336	12.4
187.14801	16.5
189.12810	4.3
189.16380	24.5
191.14380	6.5
191.17964	5.9
197.13263	7.4
199.14850	16.1
201.16374	21.0
203.14336	6.8
203.17966	14.3
205.15852	6.1
207.17392	4.3
211.14891	5.7
213.16344	14.2
215.17998	11.9
217.15892	9.7
219.17450	6.4
225.16360	3.6
227.17967	6.5
229.15892	3.6
229.19554	6.5
231.17447	9.8
237.16414	2.7
239.18051	3.0
241.15988	3.4
241.19543	4.5
243.17616	4.7
243.21085	4.3
245.18935	3.9
253.19458	4.8
255.21092	2.6
267.21051	2.5
269.19125	3.6
271.20428	4.3
283.20493	5.0
285.22076	2.8
293.46487	2.5
295.20639	2.5
379.29938	10.3
395.29501	8.4
401.32077	4.4
407.33136	4.1
409.34433	3.9
419.33060	29.4
437.34180	100.0
438.34143	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	Alertenone
Peak:m/z	Relative Intensity
51.51604	1.5
53.00312	1.9
53.03945	2.3
53.49400	1.4
55.05514	13.3
57.07065	1.9
59.68840	1.5
67.05504	27.0
69.03409	1.6
69.07063	15.4
71.04977	2.1
71.44363	2.9
75.34731	1.7
79.05491	21.8
81.07058	46.1
83.04958	1.9
83.08611	8.4
85.06514	1.9
86.05727	1.6
89.69305	1.6
91.05475	21.4
93.07037	38.9
95.04980	5.7
95.08607	80.5
97.06505	6.9
97.10168	4.6
99.08102	1.5
105.07027	51.4
107.08588	50.9
109.06510	8.4
109.10156	51.9
111.08080	17.0
117.07029	8.8
119.08582	61.0
121.10146	39.1
123.08080	4.8
123.11710	14.0
128.06247	2.6
129.07016	5.7
130.06578	2.0
131.08569	23.4
133.10129	41.5
135.08139	3.0
135.11700	21.8
137.09612	2.8
137.13266	2.7
139.11157	1.9
142.07826	2.7
143.08563	12.3
144.09322	3.0
145.10112	41.0
147.04366	3.8
147.08041	1.7
147.11694	37.9
149.09659	3.7
149.13254	23.9
151.11243	2.6
155.08603	4.6
156.09355	3.1
157.10141	17.1
158.10860	2.3
159.11687	36.5
161.09651	2.4
161.13245	27.4
163.11176	3.3
163.14784	12.2
165.12741	2.2
169.10156	5.6
170.10886	2.5
171.11661	15.8
172.12285	2.0
173.13264	31.6
175.11177	4.2
175.14804	20.3
177.12770	6.7
177.16371	9.7
179.14349	3.9
183.11736	7.2
185.13264	14.4
187.11273	2.7
187.14815	19.5
189.12778	5.2
189.16391	21.8
191.14362	5.3
191.17950	7.3
193.15915	3.1
195.11725	3.2
196.12448	1.9
197.13286	5.3
199.14828	14.4
201.12674	3.0
201.16414	21.8
203.14330	6.4
203.17967	15.0
205.15897	8.2
207.17439	4.1
209.13313	3.2
211.14896	4.2
213.16400	10.9
215.14439	3.5
215.17952	10.6
217.15939	9.7
217.19507	2.4
219.17485	7.2
225.16391	4.9
227.17952	7.7
229.15889	3.8
229.19551	5.5
231.17455	11.6
233.15414	2.1
233.19029	3.7
237.16415	2.6
239.18028	4.9
241.19495	4.0
243.17424	5.3
243.21205	3.6
245.05066	2.2
245.19066	2.9
247.20718	2.3
253.19649	3.3
255.17360	2.5
255.21170	4.2
257.19095	4.5
259.20746	3.2
265.19293	2.2
267.20978	3.9
269.19089	3.1
269.22647	2.0
271.20483	4.3
275.20096	2.9
283.20535	3.2
285.22095	3.0
297.22324	3.1
301.21585	2.2
327.23193	3.1
328.46790	1.9
329.24695	1.8
377.28073	2.2
379.29956	6.5
391.33829	3.2
395.29620	6.6
407.33063	2.1
409.34763	3.7
419.33069	24.2
437.34180	100.0
438.34528	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.9
55.75448	1.5
56.96583	2.7
57.03432	4.1
61.02905	2.3
67.05506	18.3
69.03436	6.2
69.07066	12.2
69.57378	8.5
69.57803	5.4
70.90474	1.6
71.04980	4.3
75.74899	1.9
77.93316	1.6
79.05492	11.7
81.03403	3.2
81.07059	46.1
83.04980	3.8
83.08625	10.2
85.02904	13.8
88.23174	1.7
89.83406	1.8
91.05473	15.7
93.07042	15.7
95.04933	2.6
95.08606	45.8
97.02894	5.1
97.06518	8.5
97.10168	4.9
98.21515	2.0
99.08087	7.6
105.07034	16.5
106.61465	1.6
107.08592	7.7
109.06503	2.5
109.10147	4.8
111.08089	2.4
113.09666	5.6
115.07581	1.7
119.08584	23.6
121.10137	7.1
122.88924	1.9
123.08083	3.9
127.03912	4.5
131.08586	3.2
133.10141	18.9
135.11676	9.4
137.13286	6.3
145.04942	2.3
147.11681	2.1
161.13258	57.3
179.14314	100.0
180.08699	4.6
180.14687	2.9
197.15395	12.3
203.14349	1.6
239.16336	4.3
257.17566	4.1
369.21057	2.1
403.96912	2.2
436.32697	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.8
56.70080	1.5
56.96557	1.8
57.07061	6.0
60.72852	1.4
65.01707	1.8
65.03938	2.0
67.05508	20.7
67.79557	1.4
69.03410	2.6
69.07076	20.1
69.86214	5.6
69.86628	4.2
75.03146	1.6
76.68994	1.3
79.05495	16.0
81.03442	1.6
81.07061	54.1
83.04988	1.9
83.08617	9.6
83.09047	1.3
85.67482	1.5
86.67116	1.5
90.63155	1.4
91.05479	20.5
93.07050	34.8
95.04977	3.1
95.08610	74.0
97.02921	1.6
97.06536	3.2
97.10171	4.8
105.07034	47.9
107.08596	49.4
109.06527	6.1
109.09450	2.9
109.10162	42.4
111.08072	3.0
117.06990	7.8
119.08586	100.0
120.08905	2.2
121.10139	36.4
123.08049	2.8
123.11702	17.8
129.07011	3.8
130.07780	2.3
131.08583	24.5
133.10135	56.2
135.08101	3.7
135.11708	23.0
137.05927	1.7
137.13263	15.0
139.07552	2.0
139.11177	2.5
142.07738	2.2
143.08568	9.4
144.09355	2.7
145.10127	40.6
145.11288	2.6
147.11690	35.7
149.09650	1.9
149.13277	15.3
153.01965	1.6
155.08548	2.2
156.09294	2.3
157.10138	13.4
158.10910	2.9
159.11691	37.1
160.12447	3.1
161.09566	2.2
161.13266	32.7
162.13805	1.7
163.07544	5.0
163.11220	4.2
163.14819	9.3
165.12764	2.5
169.10170	5.2
171.11684	9.4
173.11874	3.1
173.13249	20.4
175.11174	2.6
175.14807	20.1
177.09091	1.8
177.16402	10.4
179.14198	2.0
183.11699	6.5
185.13293	9.0
186.13696	2.2
187.14847	26.3
189.16385	47.9
191.10719	2.6
191.17949	24.8
193.12228	3.0
195.11777	1.7
197.13307	4.5
199.14822	9.9
201.16399	62.8
202.16748	2.8
203.14403	3.1
203.17960	41.3
205.12344	3.2
205.15836	2.3
207.13835	1.9
211.14890	3.6
213.12857	2.1
213.16376	9.0
215.17935	15.4
217.12141	1.9
217.16005	1.8
217.19542	8.3
219.02040	1.7
219.13936	2.5
219.17505	5.7
219.21097	1.7
221.15436	4.8
225.16223	2.1
227.17986	5.5
229.15952	4.1
229.19606	7.8
231.13899	8.1
231.17537	1.8
233.15356	8.4
239.17967	5.1
241.19524	5.9
243.21123	4.0
245.15460	3.0
247.16953	23.4
247.20975	1.7
248.17406	2.7
253.19470	4.2
255.17824	1.6
255.21091	7.0
259.16965	2.4
261.18655	4.2
267.21136	3.3
269.22589	3.1
273.18530	3.0
275.20148	3.1
281.22610	1.6
283.24438	1.8
285.18671	2.9
285.21753	1.7
287.05621	3.8
287.20148	3.2
295.24258	3.1
299.20187	5.6
301.21628	3.8
313.21548	2.2
391.33578	15.1
419.33063	5.5
437.08792	2.1
437.25027	3.4
437.34219	81.1
438.34644	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	436.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52914	5.6
55.01841	8.2
55.05508	11.2
56.96564	40.9
57.03424	8.2
61.02948	7.2
66.73051	5.9
67.05501	8.1
69.03429	26.8
70.06590	48.4
71.04991	12.6
71.59029	9.6
72.08145	16.8
79.00834	6.8
79.05495	8.2
81.03432	13.1
81.07030	7.1
84.04485	14.3
84.08128	16.0
85.02902	62.1
85.06545	12.4
86.09706	26.7
87.04504	6.7
91.05492	12.1
95.04940	7.5
97.02896	17.9
102.97137	6.6
105.07011	11.4
105.67788	6.5
107.04955	19.9
107.08600	13.1
109.06497	11.8
110.07162	8.7
116.98621	16.9
119.08595	12.5
121.10136	7.7
127.03883	22.0
134.99667	12.6
135.04402	16.1
136.06215	8.6
136.07533	7.5
147.04361	12.2
158.99638	7.9
161.01263	8.6
163.03874	65.1
164.04205	10.5
174.12125	6.1
184.05132	8.7
185.09686	6.6
195.40578	6.9
221.02983	12.6
221.15465	9.2
235.02809	9.6
237.02779	12.7
239.16418	100.0
257.03323	10.8
258.05780	9.0
259.07275	14.0
259.57465	8.1
271.06470	17.5
275.05820	12.8
288.02841	10.5
289.07455	71.9
290.07739	7.1
291.67081	8.3
307.08545	15.7
329.75641	7.7
340.09854	16.1
357.06396	8.6
365.10226	7.2
369.03265	28.9
377.07245	14.9
401.21490	8.3
431.03226	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	436.2329
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
55.05497	3.5
56.96558	4.4
57.03426	1.5
61.02916	1.3
67.05514	6.1
69.03415	4.1
69.07061	4.3
71.04980	2.0
71.60046	0.9
71.60406	1.5
73.02905	1.5
79.05474	5.9
79.29119	1.2
81.03396	2.4
81.07058	13.9
83.04968	4.6
83.08608	1.5
83.84107	0.9
84.04521	1.0
85.02891	9.4
85.06538	1.5
87.00836	1.1
91.03935	1.4
91.05470	7.1
92.94528	1.1
93.07054	14.4
95.04955	4.8
95.08612	9.4
97.02880	4.6
97.06523	5.0
98.97568	5.2
99.04445	3.1
103.05455	6.3
105.07021	10.3
107.04948	5.4
107.08595	5.3
109.02863	1.6
109.06505	3.9
109.10162	3.8
110.97578	1.2
111.08083	5.1
116.98624	2.8
117.07015	1.1
119.04887	1.2
119.08571	6.3
120.08103	100.0
121.06488	9.7
121.10130	2.4
123.11695	4.6
125.05963	4.0
127.03908	3.6
129.66264	1.2
131.08575	1.9
133.06494	1.5
133.10139	5.3
134.99687	1.7
135.08037	3.0
137.09608	3.4
139.07516	3.1
139.54982	1.1
143.07022	2.7
143.08556	1.7
145.04988	1.3
145.10103	2.2
147.11711	8.9
151.07559	1.3
151.11107	1.7
157.10028	2.4
158.99652	1.8
161.13287	3.8
163.14807	1.6
165.09109	14.9
165.12762	2.7
166.08633	24.4
169.12190	3.6
170.03281	1.3
171.11694	2.3
173.09528	1.0
173.13226	1.2
175.11183	5.5
177.00690	2.0
189.00725	2.1
189.12686	4.5
191.14221	1.4
193.12251	4.9
199.11137	1.9
207.13820	1.7
211.13359	2.9
217.12212	10.2
219.01926	1.9
229.14406	1.5
235.13246	4.4
237.02823	3.3
253.14536	2.6
257.07077	1.2
258.07559	2.3
270.16699	1.7
279.03931	1.4
296.33142	1.3
308.20416	1.4
330.20657	1.2
336.19543	4.6
337.16629	1.7
354.20746	9.7
358.19955	1.5
365.19922	3.2
372.21667	12.4
396.19751	5.9
396.70215	1.6
400.21118	3.6
418.18390	6.7
418.69107	1.8
435.79092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53384	1.5
50.68823	1.6
55.05494	1.9
57.03433	4.2
60.76574	1.6
62.91420	1.7
69.03420	6.6
69.07068	1.8
70.06605	8.1
70.06908	1.7
70.20792	5.0
70.21205	3.4
71.04980	1.6
72.08154	9.7
75.04466	2.2
76.02206	1.9
79.05499	3.6
81.03400	3.2
81.07069	3.1
84.04482	2.2
84.08121	1.7
85.02898	12.4
86.09705	3.9
91.05450	4.1
93.07009	2.5
95.04948	2.6
97.02895	3.6
98.20830	2.1
103.05492	2.8
105.07017	25.4
107.04939	2.4
107.08624	2.4
109.02828	1.6
109.06495	2.9
113.07101	1.9
116.98553	2.3
117.07036	1.7
120.08085	5.3
124.03957	1.7
127.03925	3.5
130.26395	1.6
133.06488	55.5
134.99677	2.4
135.08055	2.7
137.05975	100.0
145.04922	2.3
145.10106	1.9
159.07964	1.6
163.07527	4.8
165.09111	33.9
175.07571	3.6
175.11247	2.0
181.08511	2.1
183.10188	22.6
193.08400	1.8
203.10616	2.3
221.11671	4.9
227.11778	1.7
239.12848	4.5
257.13861	44.3
289.07605	2.5
414.37555	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
54.23435	2.1
55.01865	7.2
55.05500	7.5
57.03444	6.0
61.02933	2.5
66.39013	2.5
67.05492	10.1
69.03430	21.7
69.07077	4.6
70.06591	7.7
71.04987	5.4
71.59767	3.2
71.60188	3.2
73.02914	9.1
79.05492	16.6
81.03424	32.4
81.07064	14.7
83.05015	3.3
84.08164	3.4
85.02904	71.1
86.09699	6.7
87.00829	23.3
91.05478	22.2
93.07047	87.6
95.04964	7.7
95.08609	13.4
97.02901	27.1
97.06519	8.0
99.04464	10.1
103.03996	2.4
105.01878	29.3
105.07036	7.1
107.07855	4.9
107.08595	100.0
109.02874	28.7
109.06513	5.7
109.10165	9.8
117.01832	2.9
120.08122	3.2
121.02885	4.6
127.03915	53.1
129.01869	6.9
131.08606	3.1
133.10187	3.9
135.11693	71.5
137.05986	9.1
145.04951	26.1
147.02908	3.3
147.11656	3.1
151.11162	2.4
153.12769	7.3
158.05878	2.3
159.02902	21.7
167.07034	3.7
211.09653	3.2
227.11786	5.3
231.05023	11.8
239.13013	4.4
255.11450	5.4
278.04297	2.9
280.06064	9.6
296.05627	7.1
297.12234	4.5
308.05481	18.9
315.13538	8.3
323.06671	5.3
334.02985	3.1
349.04800	13.3
350.03079	2.8
351.06171	16.3
366.07263	3.7
377.04086	9.9
392.05112	7.4
394.06787	10.5
437.07349	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.16867	0.6
55.05507	2.0
56.96554	1.1
57.07074	0.9
59.04980	1.8
61.02924	0.9
67.05486	1.6
69.03419	2.7
69.07056	2.2
69.30057	6.5
70.06567	1.2
71.04990	12.1
73.02898	0.8
73.06544	2.8
74.12530	0.6
79.05486	5.2
81.03410	1.7
81.07055	17.6
83.08612	1.3
84.08115	1.2
84.70451	0.7
85.02901	7.8
85.06553	0.9
86.09706	1.2
87.00828	1.4
88.48582	0.6
91.05466	2.4
93.07049	12.8
95.04965	1.5
95.08609	4.4
96.71339	0.6
97.02914	3.2
97.06528	2.6
98.20710	1.2
99.04431	0.9
104.10699	0.7
105.01866	3.0
105.07016	1.1
107.08595	9.4
109.02910	1.6
109.06454	0.7
109.10153	2.4
111.08070	0.8
117.75553	0.6
119.08595	1.1
120.08085	0.8
121.10056	0.9
127.03935	4.7
131.08586	0.8
134.99812	0.7
135.11694	20.2
136.82056	0.6
145.04993	1.6
145.10057	0.8
147.11740	0.8
153.12744	100.0
154.13071	2.0
163.03885	0.6
167.06976	1.4
168.07368	0.8
171.11650	0.7
171.13770	0.7
173.13229	1.5
181.04945	2.3
182.05319	0.8
215.07057	0.8
218.51831	0.7
222.97745	0.6
223.08975	1.2
224.11768	0.9
232.09756	1.2
233.08083	1.5
234.08372	1.2
274.13559	2.5
292.14621	1.2
372.95200	0.7
394.17850	2.1
435.77298	1.2
436.18903	2.3
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
53.03936	3.9
55.01870	4.5
55.05522	5.7
56.96552	4.5
57.03434	2.4
67.05490	10.5
69.03421	12.0
69.07059	7.6
70.06579	9.0
70.73031	6.3
71.04988	4.7
72.08157	2.9
73.02901	2.7
79.05502	11.8
81.03414	8.4
81.07056	14.1
83.04956	3.7
84.08121	3.0
85.02908	29.8
86.09702	7.3
87.00826	9.2
91.05470	19.7
93.07050	59.3
95.04958	5.4
95.08601	18.5
97.02901	12.2
97.06542	17.5
99.04440	5.6
105.01883	19.3
105.07007	9.6
107.04974	3.9
107.08596	100.0
109.02879	10.5
109.06514	3.0
109.10162	14.5
117.01893	2.9
120.08138	4.3
123.04439	2.9
127.03921	22.5
135.11691	43.7
145.04971	11.9
147.04520	2.4
153.12711	14.8
211.09659	4.3
219.01801	2.5
231.04906	4.7
274.08051	2.8
287.05374	2.3
301.76855	2.5
319.90439	2.3
448.54755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.14080	0.2
55.01862	0.4
55.05497	0.2
65.03954	0.3
67.05502	1.6
68.99782	1.6
69.03429	1.2
69.45021	0.3
69.45424	1.1
70.06591	0.7
70.07362	0.2
71.04986	0.2
72.08144	0.3
73.02912	0.3
77.06270	0.2
78.03442	1.2
79.05501	0.4
80.04994	0.3
81.03419	2.5
81.07079	0.2
83.04991	0.2
84.04517	0.2
84.08136	0.3
85.02895	1.3
86.09699	0.5
90.34267	0.2
91.05484	1.7
92.05822	0.2
93.07055	1.0
95.04972	1.7
95.08620	0.4
95.46643	0.2
96.04477	0.7
97.02888	1.1
98.97556	0.2
99.04433	0.4
99.94534	0.2
105.01843	0.3
105.06994	0.3
106.02915	4.9
107.04958	0.5
107.08614	0.3
109.02877	1.7
110.07135	0.3
116.98608	0.2
120.08119	0.3
123.04424	0.7
124.03955	16.9
125.04258	0.3
125.06007	3.4
127.03914	1.3
128.98596	0.2
134.16243	0.2
135.08118	0.4
135.11736	0.3
139.21826	0.2
145.04953	0.4
151.03906	100.0
152.04236	2.4
153.09137	0.4
158.98074	0.2
169.04987	3.4
181.04999	0.4
188.55434	0.2
207.10217	0.2
227.11758	0.2
237.02740	0.2
250.07109	2.6
256.83289	0.2
268.08170	12.4
269.08655	0.5
274.79996	0.2
287.05826	0.2
287.14075	0.3
288.05936	0.2
315.13449	0.4
327.07571	0.6
369.08524	0.3
392.13239	0.6
418.11337	4.7
419.11484	0.4
436.12198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02370	0.2
52.03160	0.2
53.03949	0.9
55.01867	0.5
55.05494	0.2
56.96559	0.3
57.03442	0.2
65.03940	2.5
67.05505	1.1
69.03431	2.0
69.61694	0.9
69.62107	0.4
70.06583	0.7
71.01361	0.2
71.04981	0.4
72.08155	0.2
78.03451	2.5
80.05009	0.7
81.02978	0.3
81.03416	3.2
81.07052	0.4
84.08138	0.5
84.55187	0.2
85.02902	2.4
86.09697	0.7
87.00836	0.2
87.04473	0.2
88.35193	0.2
91.05454	0.3
93.03412	0.5
93.07043	0.2
95.04976	1.1
96.04494	1.5
96.19167	0.2
97.02890	1.3
98.20749	0.4
98.97592	0.2
99.04442	0.5
100.69157	0.2
105.07076	0.2
106.02913	11.3
107.04926	0.2
108.02101	1.5
109.02877	2.9
110.03677	0.3
111.04445	3.2
116.98618	0.2
120.08074	0.4
123.04404	0.4
124.03951	19.9
125.04304	0.3
125.05995	1.4
127.03923	1.5
129.10287	0.3
136.01570	0.3
140.39468	0.2
141.05473	3.5
151.03900	100.0
151.04950	5.2
152.04208	1.7
166.05000	0.4
169.04973	1.0
232.06046	0.3
250.07097	5.2
268.08145	6.5
269.08539	0.2
289.07434	0.5
349.64828	0.2
351.07614	0.3
368.87823	0.2
369.03296	0.3
400.10275	1.8
418.11334	2.6
436.12369	3.0
436.17697	0.3
446.25656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51115	0.6
55.05510	0.6
59.37231	0.5
60.59637	0.5
67.01839	1.0
67.05490	1.4
69.07059	0.9
70.51414	0.9
70.51783	1.8
79.05482	1.1
81.07027	1.3
91.05460	1.0
93.07040	0.8
94.06569	0.9
94.10749	0.5
95.08573	1.9
105.07033	1.2
107.08600	1.0
109.10134	1.0
119.08575	1.6
121.10131	0.7
133.10086	1.7
135.04405	2.0
137.02315	0.6
145.10118	0.8
150.05460	1.7
152.07135	0.6
153.01823	6.1
159.11705	1.3
161.02344	0.7
171.02962	1.3
173.13277	0.6
183.11473	0.6
203.03354	0.6
211.14867	0.6
213.16232	0.6
229.04881	3.9
230.05458	0.8
241.04979	0.9
257.04419	3.4
258.05237	39.4
259.05606	1.4
260.03564	0.5
286.04724	86.1
287.05493	100.0
288.05832	1.8
336.28781	0.7
435.32428	2.2
436.10367	23.8
436.32947	2.3
437.10883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.7
57.07074	6.0
58.09427	1.0
67.05507	2.8
71.08627	4.1
75.67373	1.1
81.07051	3.0
85.10177	3.0
89.06050	1.3
94.76964	1.1
95.08591	3.4
109.10166	1.5
111.11703	1.3
113.00016	86.5
121.10140	1.0
123.11729	1.2
169.02612	100.0
180.14441	1.1
349.29712	1.3
429.80667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03419	4.8
57.07076	5.1
58.53777	0.9
60.45663	0.8
67.05488	2.4
69.07059	2.3
69.80602	4.6
71.08627	3.5
81.07055	2.0
82.62365	1.0
85.10181	2.8
94.22093	1.0
95.08617	3.4
97.10168	1.3
103.93328	0.9
113.00008	99.7
123.11729	1.1
169.02602	100.0
213.12592	1.1
222.23842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03951	2.1
54.24656	1.6
55.05504	13.8
57.07071	2.5
57.27726	1.6
67.05504	26.0
69.07066	15.6
71.08572	2.0
71.60510	2.8
79.05486	16.3
81.07051	33.6
83.08607	10.6
91.05476	15.1
93.07048	33.5
95.04956	4.3
95.08607	37.3
97.06542	3.0
97.10193	3.3
105.07021	30.8
107.08592	36.7
109.06490	9.3
109.10146	35.9
111.08138	2.1
117.07034	8.5
119.08582	49.9
121.10143	24.3
123.08070	2.9
123.11698	9.6
128.06245	2.7
129.06973	6.7
131.08569	16.8
133.10120	24.3
135.11700	13.2
142.07822	2.6
143.08553	13.5
145.10123	29.8
145.11276	2.6
147.08154	2.6
147.11679	20.6
149.13248	13.3
149.97304	1.6
153.09116	3.3
155.08591	5.5
156.09375	2.8
157.10121	18.1
159.08047	2.2
159.11688	21.3
161.09599	2.0
161.13199	9.5
163.07578	3.7
163.14830	4.4
169.10159	8.3
170.10884	2.5
171.11681	16.0
172.69946	2.2
173.09654	2.8
173.11859	3.5
173.13208	16.6
175.14833	12.5
177.16422	4.7
181.10165	4.4
183.11670	8.6
185.13228	12.2
187.14847	15.0
189.12704	2.1
189.16417	10.3
193.10249	3.5
195.11696	6.0
196.12462	2.7
197.13275	8.2
199.14819	12.4
201.12712	2.3
201.16377	21.0
203.14247	2.3
203.17944	10.1
207.11890	2.2
207.13792	2.6
209.13315	6.7
211.14841	6.4
213.16365	9.8
215.14386	3.0
215.17984	5.9
221.13257	2.9
223.14960	3.8
225.16403	7.9
227.17984	5.4
233.15314	3.1
235.14865	2.8
237.16408	3.5
239.18005	6.0
241.19518	4.1
243.13947	2.3
249.16551	3.2
251.17987	4.9
253.19620	5.0
257.15369	1.9
257.22687	4.2
259.17126	1.9
263.18018	3.1
265.19461	2.7
267.21161	6.6
271.17178	2.2
273.18466	3.2
277.19504	3.5
279.21109	6.1
281.22726	4.0
283.16940	5.3
283.24258	6.4
285.18451	4.8
291.20947	2.6
293.22681	3.8
297.18597	4.5
299.20242	4.4
311.20099	3.4
319.24280	3.5
325.21573	4.4
339.23203	2.5
347.27658	2.5
379.26407	3.3
389.32053	22.7
390.32346	2.5
417.31580	2.9
435.32654	100.0
436.32880	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	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.72157	3.2
55.05510	18.2
55.57204	3.1
57.03426	11.6
57.07069	6.4
67.05506	45.3
69.07070	17.4
70.12152	5.8
70.12575	11.4
78.67946	3.3
79.05493	15.9
81.07056	47.8
83.08627	15.6
87.60757	3.1
90.72649	3.0
91.05490	16.1
93.07065	15.5
95.04979	4.3
95.08605	41.8
97.06519	3.9
97.10146	10.4
97.72962	3.6
98.98472	51.9
102.09162	3.5
105.07024	11.0
107.08596	8.6
109.06514	4.9
109.10154	16.1
111.11689	4.1
113.04420	3.3
119.08596	6.9
121.10176	10.1
123.11695	8.5
133.10170	5.6
133.73953	3.2
135.11716	5.0
147.11690	8.4
149.02359	4.0
149.13239	5.7
155.01025	12.3
161.13245	4.5
162.03105	9.3
162.86276	3.4
173.02119	8.0
206.55928	3.4
212.04715	3.1
245.22652	9.8
256.26346	4.6
263.23639	20.6
293.99185	3.2
320.67776	6.4
337.27338	100.0
343.22821	4.1
417.26678	4.3
435.29785	11.6
435.79205	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05515	35.7
57.03428	15.5
57.07068	14.9
67.05505	89.3
69.03428	10.9
69.07058	23.2
70.07389	41.0
79.05499	40.0
81.07055	79.7
83.08613	23.5
91.05499	39.3
93.07030	45.0
95.04969	37.1
95.08603	69.9
97.06537	15.1
97.10173	11.1
98.21398	9.4
98.98467	68.6
105.07049	38.5
107.04916	8.8
107.08597	38.0
109.06509	56.2
109.10162	31.7
110.61716	7.2
117.07016	10.6
119.08601	34.7
121.06515	12.5
121.10111	18.4
123.08053	8.6
123.11749	15.4
131.08539	25.6
133.10117	27.5
135.08038	16.0
135.11711	16.4
135.67831	7.8
137.09630	8.8
141.06952	8.2
142.46925	6.8
143.08571	17.4
145.10152	16.8
147.11670	11.5
149.09567	7.3
155.00980	17.3
155.08456	7.2
156.09262	7.5
157.10101	16.8
159.11690	12.0
161.09630	16.2
161.13321	8.4
162.03130	10.0
169.10133	11.6
171.11624	13.7
171.39153	7.2
173.02127	11.3
173.13138	8.1
181.10100	7.8
184.04370	8.8
193.10141	7.8
195.11678	9.4
197.02170	11.7
206.05737	10.6
229.07443	13.5
247.08488	7.5
256.26224	11.3
259.54834	7.1
263.23718	18.9
296.10138	11.5
320.67731	26.4
321.18042	9.6
337.27328	100.0
343.22574	22.2
370.23819	7.4
381.24170	9.4
417.26483	19.5
430.45880	8.0
435.28448	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1076
Annotation	Sinaticin
Peak:m/z	Relative Intensity
53.03923	0.3
55.01858	0.3
62.91942	0.2
67.05474	0.2
69.07022	0.3
71.44150	0.3
79.05463	0.4
81.07047	0.3
82.17363	0.2
87.17999	0.2
91.05457	0.8
93.07034	0.6
95.04930	0.4
98.21542	0.5
103.05445	0.9
105.06998	0.4
107.04925	0.7
109.10122	0.3
111.14292	0.3
115.05464	0.4
116.98589	0.3
119.04918	0.4
121.06505	1.6
121.10101	0.3
131.04016	0.3
131.04929	3.8
132.05699	0.4
135.04372	0.5
149.05959	0.5
153.01819	5.4
157.75330	0.2
168.53172	0.2
171.02898	0.6
173.58023	0.3
201.05472	0.3
201.16312	0.3
203.03384	5.6
207.02876	0.3
213.05342	0.3
229.04973	7.0
241.04965	0.5
242.05710	5.7
244.03560	0.3
253.04942	7.8
255.06555	1.0
257.04440	57.0
258.05215	20.7
259.05792	0.4
269.04388	1.8
270.05179	0.6
271.06052	0.5
283.06000	2.0
285.03925	3.3
286.04706	29.9
287.05478	15.4
288.05844	0.4
295.05835	0.4
297.03882	2.0
299.05573	0.3
316.50116	0.3
335.02628	0.4
375.08740	1.5
387.08643	0.5
389.10156	0.8
405.09668	6.3
417.09659	20.1
418.10150	0.6
435.10733	100.0
436.11005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1082
Annotation	2,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
53.03955	0.9
55.01871	1.7
55.05501	1.4
59.88426	0.6
65.03931	2.2
67.01841	1.5
67.05504	2.7
68.99783	1.1
69.03439	1.2
69.07056	0.9
71.30392	1.3
71.58381	0.6
71.86359	0.5
75.04514	0.8
75.19387	0.5
77.03919	0.8
78.04706	0.9
79.05502	6.2
81.03431	1.2
81.07055	4.5
85.02911	1.9
86.09689	0.8
91.05489	7.0
93.03411	3.2
93.07052	5.4
95.04989	4.5
95.08613	5.9
97.02940	0.7
97.06532	1.3
100.11214	0.6
103.05487	3.9
105.07037	24.8
106.04176	7.7
107.04965	17.1
107.08578	3.0
109.02877	1.4
109.06530	0.7
109.10175	3.3
111.04458	0.7
115.05438	1.6
117.07039	1.6
119.04958	2.0
119.08604	4.0
121.02862	1.5
121.06511	9.0
121.10150	2.7
123.04409	2.0
123.11685	0.8
125.06004	1.8
128.06229	1.7
129.07008	1.7
131.04948	4.6
131.08580	2.6
133.02820	0.9
133.06499	37.3
133.10126	2.3
133.57658	0.6
134.03664	1.8
135.11720	1.5
137.05988	3.0
139.42166	0.6
141.06978	0.9
143.08546	1.7
145.06471	1.1
145.10144	3.8
147.04369	1.9
147.11652	3.7
148.05244	1.0
149.05995	11.7
149.13304	0.8
151.03885	1.5
153.01836	24.7
153.05640	0.7
153.07005	1.4
153.09111	3.1
155.04884	1.0
155.08508	0.7
157.06497	1.9
157.10147	2.2
159.11714	3.6
159.12825	0.6
161.06013	3.5
161.09630	0.6
161.13258	1.3
163.03918	0.8
163.07614	1.1
165.05502	1.4
165.06854	0.9
165.09198	0.7
167.07050	3.0
169.06549	0.8
169.10172	1.0
171.02901	1.3
171.08049	1.6
171.11729	1.6
173.06067	0.8
173.09665	0.8
173.13237	2.9
175.14847	1.0
177.05475	7.6
179.01813	1.1
179.03404	16.6
179.04910	1.3
180.07826	0.8
181.04994	6.0
181.06386	1.0
181.08632	5.3
181.10062	1.1
183.04446	1.2
183.08139	0.9
185.05992	0.7
185.13251	0.9
187.03915	1.7
187.14909	1.8
189.16412	0.9
191.07057	0.8
192.04192	2.4
193.04936	1.8
195.08064	0.9
197.06018	1.0
199.14857	1.4
201.05466	1.7
201.16432	2.1
203.03340	1.8
203.18024	0.7
205.04910	4.2
208.07370	0.9
209.08095	17.4
211.03798	1.2
213.05424	0.7
215.17819	0.7
225.07526	1.4
228.04300	0.8
229.04971	44.9
230.05330	0.7
231.06468	3.4
233.08133	1.8
235.07565	0.8
239.17816	0.8
243.06512	1.5
255.06590	3.6
257.04468	20.6
258.05219	1.1
259.06036	24.7
267.06601	1.4
269.07993	0.9
275.05551	2.3
285.03967	14.4
285.06906	0.6
286.04517	0.7
287.05515	2.0
301.06967	1.1
302.04337	1.4
303.04984	17.3
305.08044	4.0
311.05469	1.8
313.07062	2.2
321.07455	1.5
323.09149	54.6
324.09570	1.4
347.09131	2.7
361.10825	3.2
370.46555	0.6
379.11786	1.5
391.13693	4.9
407.11282	100.0
408.11502	2.3
417.10574	0.7
417.15811	0.9
417.31528	1.6
435.10840	51.8
435.32544	7.5
436.11258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Tricetin 3'-xyloside
Peak:m/z	Relative Intensity
50.91643	0.5
51.85985	0.5
55.01857	2.2
55.05479	0.5
57.03445	3.3
61.02935	0.8
62.41464	0.5
65.03951	0.6
67.05500	0.9
68.99777	1.7
69.03439	3.0
69.07053	0.7
70.06581	1.7
71.01347	0.8
71.60057	0.9
73.02909	2.1
76.16927	0.6
79.05489	1.1
81.03441	1.3
81.07030	0.7
82.07887	0.5
83.05010	0.6
84.08158	0.7
85.02897	3.2
86.09713	1.1
87.04445	0.6
91.05477	1.5
93.03370	0.5
93.07037	0.5
95.04964	0.9
95.08609	1.7
97.02905	2.5
105.07040	0.9
107.04953	1.3
109.02867	1.4
109.10173	0.5
109.29774	0.4
111.00761	0.8
115.03919	1.1
117.07018	0.7
120.08120	1.3
120.10049	0.6
121.02873	1.7
123.04408	0.6
127.03912	1.7
131.04970	0.5
133.04958	1.8
137.02324	4.7
137.05972	0.9
149.02339	0.9
151.03853	0.6
153.01857	6.3
154.02208	0.6
155.18323	0.4
161.05963	0.6
163.03893	0.7
165.01849	3.2
167.07043	1.4
173.05963	1.2
177.05577	0.5
179.03484	0.6
181.04933	0.9
181.08572	0.7
183.02873	0.8
183.04436	0.9
189.86911	0.5
191.03358	0.5
201.05505	2.6
209.08078	0.6
229.04955	7.0
233.08084	0.8
247.06012	1.4
257.04440	4.0
271.06009	14.5
272.06400	10.5
273.06570	22.1
274.04437	0.8
285.03934	1.4
303.04993	100.0
304.05405	1.7
345.05936	1.0
435.20200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03934	0.2
55.01854	0.2
55.05495	0.3
56.96568	0.2
57.03428	0.4
61.02922	0.3
67.01866	0.2
67.05483	0.3
68.99780	0.4
69.03421	0.6
71.59438	0.2
73.02915	2.2
76.75871	0.1
79.05488	0.2
81.03411	0.4
81.07035	0.2
84.63657	0.1
85.02899	0.8
86.09693	0.2
91.05457	0.2
93.07024	0.3
95.04951	0.3
97.02871	0.4
97.06529	0.2
98.97588	0.3
105.03367	0.2
105.07045	0.2
107.04968	0.2
107.08562	0.2
108.60953	0.1
109.02870	0.3
115.03882	0.3
116.98651	0.2
119.08547	0.2
120.08096	0.3
120.76511	0.2
121.06503	0.2
123.04427	3.4
131.08510	0.1
133.02853	2.4
137.05917	0.2
144.51768	0.2
145.04979	0.2
151.03902	6.6
153.01820	32.6
154.02138	0.3
156.03624	0.2
158.99806	0.2
161.05940	0.1
167.07040	0.5
173.06116	0.2
177.00679	0.2
181.04936	0.7
205.04930	0.3
225.07518	0.2
233.08066	0.5
237.02814	0.2
239.51042	0.1
261.03964	0.2
273.12274	0.6
277.10876	0.1
302.04312	0.2
303.04974	100.0
304.05295	2.1
304.13431	0.4
311.08517	0.2
313.03513	0.2
435.09015	2.5
435.28946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.01861	0.2
55.05509	0.3
56.96550	0.2
57.03426	0.5
61.02911	0.2
64.90220	0.2
67.05494	0.3
68.99778	0.6
69.03421	0.9
69.07064	0.2
70.06579	0.2
71.04981	0.3
71.20168	0.2
71.20478	0.3
72.08148	1.0
73.02914	1.2
78.12820	0.2
79.05500	0.4
81.03408	0.7
81.07047	0.6
82.07382	0.2
83.04978	0.3
85.02896	0.6
86.09701	1.5
91.05460	0.5
93.07022	0.5
95.04959	0.5
95.08613	0.2
97.02911	0.3
97.06506	0.2
98.97566	0.2
98.98381	0.2
99.78252	0.2
105.03378	0.4
105.07038	0.4
107.04932	0.5
107.08591	0.3
109.02862	0.4
109.10149	0.3
117.07048	0.3
119.08583	0.3
119.46543	0.2
120.08126	0.4
121.06546	0.3
121.10102	0.3
123.04433	4.0
123.08138	0.2
123.64030	0.2
127.03872	0.3
131.08607	0.3
133.02850	2.5
133.10204	0.2
137.05969	0.3
139.56491	0.2
145.10167	0.2
149.05963	0.2
151.03900	7.1
152.11481	0.2
153.01823	35.2
154.02161	0.5
157.10179	0.3
167.07004	0.7
171.03003	0.2
172.05165	0.2
181.04961	1.8
181.10071	0.4
185.16505	0.8
187.07458	0.2
205.04897	0.2
209.08061	0.2
225.07793	0.2
233.08058	1.1
263.09216	0.2
273.12332	0.6
273.15781	0.2
303.04974	100.0
304.05298	2.3
311.13220	0.5
417.15356	0.8
435.09070	3.2
435.19092	0.4
451.06140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01873	1.1
55.05500	1.4
56.96566	2.8
57.03437	14.2
57.07069	0.5
59.04980	0.7
60.04522	0.6
61.02924	6.9
65.03931	1.8
67.05505	5.1
68.99789	0.6
69.03432	19.9
69.07065	0.7
70.06601	4.2
71.01338	1.5
71.04983	2.0
71.21078	1.0
72.08148	1.1
73.02917	26.5
74.06080	0.7
79.05488	2.0
81.03430	4.0
81.07058	1.1
83.04977	0.6
84.04507	0.9
84.08150	0.5
84.96038	1.0
85.02905	47.4
85.06535	2.9
86.03284	0.7
86.09705	2.3
87.00803	0.6
87.04465	4.3
87.35706	0.4
91.03941	1.7
91.05482	18.4
92.05807	1.5
93.07041	2.0
95.04955	0.9
95.08607	10.7
97.02894	29.3
98.03214	0.5
98.06017	0.5
98.97582	5.8
99.04446	1.9
103.03935	0.6
103.05497	0.5
105.01878	0.6
105.03412	0.7
105.07030	6.4
106.04993	0.6
107.04950	1.5
107.08584	1.9
108.05284	0.6
109.02877	4.4
109.06541	0.8
111.00785	0.9
111.04455	0.7
113.06013	0.9
115.03932	19.8
116.98630	4.3
119.04903	0.5
119.08566	1.9
120.08108	0.7
121.02843	3.0
121.06540	1.2
121.10156	1.4
122.03168	0.8
123.08071	4.2
125.09608	0.5
127.03918	16.3
128.98596	1.4
129.06918	0.7
131.00179	0.6
132.06569	0.6
133.04971	9.6
133.06516	1.6
133.10133	1.1
134.99661	3.1
135.07994	0.7
135.11670	1.6
137.02296	1.4
137.05977	1.1
137.09669	0.5
144.06589	0.6
145.04961	23.5
146.99643	1.4
147.04430	0.8
147.08040	1.9
147.11681	1.2
149.01260	1.1
149.09605	2.9
149.13260	0.7
150.07622	2.6
150.13687	0.5
150.18402	0.5
151.03873	0.8
151.07558	1.7
153.00714	0.9
153.01813	3.7
154.02159	2.2
157.06412	0.9
158.99638	1.6
159.08078	0.6
161.01207	1.7
161.05983	1.9
161.13235	1.4
162.99129	0.6
163.06003	8.1
165.01907	2.1
165.12801	1.0
166.02171	1.3
167.07007	1.3
170.99686	0.9
173.01154	0.7
177.00603	2.4
177.05522	1.0
180.08592	0.5
181.04948	2.4
182.05353	0.8
183.02864	0.9
184.03101	0.4
186.06300	0.5
189.00781	0.9
189.09122	1.1
189.12709	1.3
191.02287	0.8
193.04941	0.6
201.09088	1.7
207.03302	1.7
207.10222	1.2
207.13809	3.9
213.05515	1.2
214.05746	1.3
219.01761	2.5
219.10156	1.0
223.06062	1.9
225.04399	0.7
231.06679	0.7
231.10036	0.6
232.06854	0.8
233.08015	1.0
237.02769	6.1
241.04942	1.0
241.07118	2.5
242.05273	1.2
255.03993	0.7
258.05194	0.7
259.05685	1.0
259.08176	1.5
270.04984	0.7
273.00656	0.4
281.10580	0.9
285.13361	2.5
287.05499	42.6
288.05838	100.0
289.06052	6.2
295.10172	1.4
303.37878	0.4
309.06421	2.7
327.07492	11.9
328.07938	1.3
350.09201	0.7
351.07556	1.9
369.08646	5.0
369.15613	0.5
395.06558	1.2
434.28311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01870	7.1
55.05521	1.5
56.96564	1.3
57.03179	1.3
57.03436	15.5
59.04990	1.2
60.04522	1.0
61.02930	15.2
65.03941	1.0
67.05511	0.9
69.03430	32.4
70.06588	5.6
70.89119	1.7
70.89465	1.4
71.01007	0.8
71.01358	4.3
71.05003	2.5
72.08166	2.5
73.02919	74.9
79.05494	2.7
81.03419	7.1
81.07037	1.9
83.04988	1.4
84.04517	1.7
84.08161	3.7
85.02906	100.0
86.09692	5.0
87.04459	4.1
91.03970	3.5
91.05471	3.2
93.03381	0.8
93.07063	1.0
95.04980	2.3
97.02893	55.4
98.97594	1.0
99.04448	5.4
101.02387	1.1
103.03951	2.7
103.05470	1.3
105.03392	1.9
105.07029	22.9
106.07361	1.1
107.04967	2.5
109.02872	8.5
114.05521	1.3
114.17072	0.9
115.03936	28.3
116.98580	1.1
117.07043	0.9
119.08607	0.9
120.08167	1.4
121.02871	1.4
121.06419	1.1
123.04420	1.3
127.03916	32.3
129.10223	1.3
133.04971	28.1
133.06479	1.9
136.07590	2.0
137.05969	2.8
138.02727	0.9
141.07028	1.2
145.04964	54.5
146.99654	1.0
147.04393	1.3
147.08029	1.5
149.06017	1.4
150.07643	3.0
151.03900	1.6
153.01808	1.5
159.08133	1.1
161.05994	2.0
163.06023	17.0
165.05473	1.3
167.07051	2.1
169.05135	0.9
175.03909	3.7
179.06999	1.5
181.04982	8.0
182.05351	2.7
199.06085	1.4
201.09113	5.7
207.10167	0.9
211.05936	0.8
217.07225	1.8
219.10201	2.3
221.08180	1.3
222.08485	1.1
223.06035	6.1
231.10120	1.2
241.07121	5.8
249.07681	1.5
250.07883	1.3
255.12245	1.5
259.08151	8.9
277.09140	2.3
285.13376	4.0
287.05508	16.6
288.05853	35.6
289.06122	1.7
295.10178	2.4
302.16016	1.0
307.64236	1.0
316.51993	1.0
351.89694	0.7
374.12576	0.9
404.14035	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
56.96553	1.2
57.03421	2.7
61.02925	1.3
68.45950	0.7
68.72156	0.6
69.03424	8.6
70.06590	1.7
70.24905	1.2
70.25323	2.2
71.04983	2.0
72.08150	1.2
73.02916	4.6
81.03425	5.0
81.07001	0.9
85.02902	5.4
86.09719	0.9
86.16315	0.6
87.04456	1.1
92.04996	1.0
94.06549	1.2
94.22968	0.8
95.04971	0.7
97.02883	2.7
98.21458	1.0
98.97643	0.7
98.98477	0.7
99.04453	4.8
101.02396	0.7
104.04974	1.1
105.03381	1.2
105.06985	0.7
106.02904	1.0
106.06506	1.0
115.03936	1.1
117.05502	3.4
118.06539	4.9
120.04469	16.0
121.02892	2.0
122.06022	5.6
124.03910	2.5
125.65680	0.6
128.98621	0.6
130.06512	1.6
132.04448	37.6
134.06004	5.2
138.05482	5.3
138.82870	0.7
144.08078	1.3
146.05997	5.5
150.05499	30.2
158.05977	2.1
160.32950	0.7
162.05521	1.0
172.07542	9.5
179.03398	2.0
179.04877	0.7
180.06645	0.7
190.08627	1.6
198.00568	0.7
200.07018	6.4
218.08119	18.8
236.09160	4.3
254.10228	8.5
272.11279	100.0
273.11551	1.5
310.68683	0.8
324.93222	0.7
357.82507	0.7
434.16965	1.1
435.18896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.5
56.05046	2.0
56.25006	1.7
56.96564	2.6
59.06114	2.2
60.04525	100.0
60.08157	3.3
61.02916	2.3
67.05489	3.8
69.03426	9.1
70.06577	8.0
70.30832	5.1
70.31233	2.8
71.04978	2.4
72.08137	2.2
73.02900	2.6
74.06072	3.0
79.05495	3.2
81.03399	4.0
84.04487	4.8
84.08125	7.7
85.02902	15.9
86.09699	13.9
86.59547	1.9
87.04472	2.3
91.05487	4.5
97.02876	8.2
97.54485	2.0
98.20764	2.8
98.97556	2.7
103.05454	1.8
105.07018	2.7
107.04969	12.5
107.05582	1.8
110.09698	2.2
116.07129	1.8
117.07037	2.2
119.08603	2.8
120.08123	2.8
121.06535	3.0
123.04384	3.5
127.03902	6.1
127.05056	2.9
128.10690	3.4
131.04915	4.2
134.99669	3.0
135.08066	6.1
136.03926	3.7
137.05997	2.9
145.04939	3.1
149.05989	2.5
151.03819	2.4
153.01764	10.3
153.05479	9.1
160.58098	2.3
163.07541	15.4
164.04672	2.8
166.08693	2.6
167.07033	29.2
172.07077	3.8
177.05513	4.3
179.07004	3.0
180.06494	2.0
181.04915	2.6
181.07323	15.1
181.08644	4.3
183.06543	6.0
192.06508	5.8
195.10176	13.8
205.08580	3.2
207.08867	2.8
208.09583	4.0
211.09790	2.1
213.06418	2.5
213.11234	24.5
222.11249	6.4
223.09660	5.3
237.02982	3.1
240.12267	68.9
241.12621	2.6
254.13768	2.7
255.12230	5.6
263.14200	2.0
272.14865	4.6
287.08170	2.1
303.05042	25.9
434.19717	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.3
55.18719	4.2
59.05000	58.6
62.04514	4.1
67.05502	14.0
69.07072	6.0
71.48934	5.8
79.05495	17.1
81.07069	12.2
83.08635	8.4
85.06542	100.0
91.05471	41.7
91.66201	5.3
93.07027	34.6
95.04967	9.3
95.08591	22.0
100.70554	5.2
105.07033	45.8
107.08608	21.4
109.06521	9.7
109.10155	15.5
111.08054	5.9
115.05510	7.7
117.07037	12.4
119.08578	55.0
121.10133	24.6
122.07240	5.6
123.08012	11.2
125.09662	26.7
128.06238	9.0
129.07022	11.5
130.07770	7.2
131.08578	16.6
133.10136	23.2
135.11723	5.1
137.09595	22.4
137.41287	4.1
141.07004	7.5
142.07762	9.5
143.08582	18.2
145.10121	27.4
145.33521	4.8
147.11682	13.7
149.09665	7.6
149.13293	4.7
151.11172	32.5
155.08574	10.0
156.09372	12.1
157.10089	25.1
159.11700	15.7
161.09587	6.5
168.09485	5.4
169.10098	12.0
171.11681	16.0
177.12627	5.9
179.08527	7.6
181.09988	7.1
183.11758	17.2
185.13329	9.2
189.12753	4.6
195.11700	7.4
197.13300	9.0
203.14243	7.4
209.13263	17.5
211.14757	5.2
215.14265	4.7
219.98674	4.6
221.13295	11.6
223.14784	9.5
233.13161	5.5
271.06128	9.7
433.30753	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	35.6
59.04985	57.7
71.60721	15.9
71.78234	13.1
72.80694	13.6
73.40733	14.7
79.74760	15.7
83.73509	13.8
85.06535	100.0
85.16022	15.2
91.05491	21.9
93.07012	38.2
105.07020	31.0
107.08591	27.0
119.08575	48.7
121.10117	26.1
125.09668	26.2
131.08556	29.2
135.11630	20.7
141.01982	15.7
145.10191	27.8
151.11185	17.5
157.10083	24.3
171.11662	17.7
197.13177	21.9
207.11212	15.9
271.06073	46.2
308.20749	16.4
361.46512	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	433.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23025	1.2
53.03935	5.5
55.01865	6.7
55.05511	29.1
56.96559	1.6
57.03181	2.3
57.03437	30.4
59.05004	1.6
61.02928	79.9
65.03927	3.4
67.05504	48.0
69.03075	2.5
69.03429	40.0
69.07068	26.4
70.06576	1.9
70.38021	5.7
71.01337	4.2
71.04709	1.2
71.05002	13.8
73.02919	33.4
73.58430	1.2
75.04465	2.4
79.05492	31.4
81.03419	23.8
81.07059	89.1
83.04974	8.5
83.08618	18.2
85.02906	77.4
85.03428	2.8
85.06545	11.7
87.04456	4.9
91.03396	2.8
91.03956	48.1
91.05478	30.5
91.72987	1.5
93.07050	29.0
95.04944	5.0
95.08607	100.0
97.02895	69.1
97.06539	20.3
97.10175	7.5
99.04449	11.6
99.08095	9.6
101.02382	13.6
103.03954	8.5
105.07021	29.0
107.04980	2.0
107.08601	12.9
109.02876	16.1
109.06517	5.7
109.10159	13.6
111.04424	2.8
111.08092	6.7
113.05933	1.4
113.09648	2.6
115.03925	5.5
115.65704	1.4
116.98547	2.2
117.05479	3.3
117.06998	5.2
119.04945	1.8
119.08577	36.9
121.06486	2.5
121.10145	11.1
123.08078	8.7
125.09608	2.5
127.03923	28.6
129.05476	8.9
131.08539	1.9
133.10129	25.3
135.11716	13.9
137.05962	12.3
137.09637	4.7
137.13220	8.3
145.04965	9.7
145.10052	2.0
147.04436	1.9
147.06506	3.2
147.11694	2.9
149.13257	4.3
153.01779	2.2
159.06522	4.0
159.11725	3.3
161.05952	4.6
161.09616	1.5
161.13257	66.3
167.06987	2.6
167.14317	3.0
171.06517	3.8
179.14313	49.9
181.04962	12.3
183.06505	6.5
183.08026	1.6
185.15390	3.6
197.15376	7.2
201.07555	4.4
209.15387	1.5
221.08089	2.0
221.15402	2.4
253.17986	15.8
271.06015	21.7
271.19043	89.2
277.08517	1.6
287.05435	18.7
295.18973	2.0
305.17468	2.0
309.11115	1.7
313.19879	2.0
321.73489	1.6
335.02814	2.0
403.13873	4.3
415.14420	1.9
415.23145	4.5
433.07889	2.3
433.16132	3.3
433.24329	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	433.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.01855	3.8
55.05268	1.9
55.05511	31.0
57.03435	33.2
61.02923	76.8
61.89085	1.9
65.03932	4.3
67.05168	3.3
67.05502	50.7
67.18607	1.8
69.03076	2.5
69.03429	38.4
69.07064	20.0
69.30017	19.2
71.01344	3.5
71.04993	16.0
73.02493	2.6
73.02910	37.1
75.04510	2.6
75.57417	2.1
79.05482	30.8
81.03403	17.7
81.07051	99.2
83.04989	9.6
83.08613	18.1
85.02903	73.0
85.03419	3.3
85.06551	10.4
85.65358	2.2
86.00648	2.9
87.04441	3.6
90.79201	1.8
91.03951	51.8
91.05476	25.8
93.07040	28.3
95.04961	8.4
95.08601	100.0
97.02885	61.3
97.06532	22.0
97.10153	7.3
98.21478	5.0
99.04423	11.0
99.08087	6.2
100.11241	2.7
101.02361	13.4
103.03915	6.9
105.07019	27.9
106.64773	1.7
107.04930	4.3
107.08582	11.6
107.29623	1.9
109.02898	10.4
109.06502	7.2
109.10148	11.1
111.04449	3.4
111.08066	5.8
115.03907	4.9
117.05531	2.9
117.06993	3.0
119.08572	35.2
120.08136	9.0
121.06460	2.8
121.10146	9.0
123.08042	6.7
127.03919	26.4
129.05489	8.9
129.06996	2.4
131.08568	5.2
133.10115	19.5
135.08060	3.1
135.11691	12.5
137.09589	5.4
137.13257	9.6
145.04942	7.7
145.10049	3.5
147.06555	3.2
147.07939	1.9
147.11673	2.7
159.06471	3.7
159.11748	2.0
161.11960	4.1
161.13246	60.8
167.14348	2.0
179.14301	48.6
181.04950	2.9
183.06523	5.5
193.12334	2.4
197.15375	6.4
201.07564	4.5
225.14763	2.2
234.35878	1.8
237.09946	1.9
253.17943	15.3
263.40039	2.0
270.15182	2.6
271.06000	2.5
271.19034	94.9
272.19315	2.2
330.17175	3.8
360.22668	3.4
369.23892	2.5
379.20822	2.3
392.40262	2.0
432.76373	20.2
433.19720	4.0
433.24963	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	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.29569	3.0
55.05500	12.1
57.03423	12.7
60.01298	3.4
65.21475	3.1
67.05164	4.9
67.05502	60.3
69.07068	15.7
69.42895	7.7
69.43308	20.6
79.05489	53.9
81.07049	70.7
83.08605	8.4
84.89165	3.1
85.06513	6.0
91.05483	22.4
93.07037	49.1
94.48436	2.9
95.04979	5.4
95.08046	4.4
95.08608	56.1
97.10123	3.4
98.20699	5.5
98.98466	75.4
105.07038	20.6
107.08592	38.9
109.10155	22.0
113.09632	4.6
116.99482	4.2
117.07012	8.7
119.08577	15.5
121.02849	3.9
121.10132	26.9
123.08052	3.8
123.11682	8.9
129.07076	2.8
131.08574	22.0
133.10114	13.6
135.11678	14.3
145.10115	11.2
147.11688	11.0
149.09631	3.4
149.13269	15.1
155.01051	8.9
157.10190	3.3
159.11713	11.6
161.13216	7.7
163.14842	15.1
173.02083	10.1
173.13268	14.5
175.14774	3.7
185.13426	3.2
187.14842	6.9
202.14920	3.1
211.99016	3.5
233.22597	6.0
241.39561	3.0
243.21117	31.2
254.81885	3.1
261.22153	51.6
271.06055	7.1
310.62717	3.1
317.24805	8.2
335.21970	6.7
335.25784	100.0
433.16403	9.4
433.31116	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	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98439	3.5
55.05508	10.5
57.03448	7.8
58.81557	4.3
65.05578	3.5
67.05505	38.9
69.07063	17.1
70.17810	4.2
70.73757	13.7
79.05497	36.2
81.07061	55.2
83.08621	8.7
91.05508	20.8
93.07034	42.0
95.08604	49.9
97.06543	4.6
98.98470	100.0
105.07006	13.6
105.90833	5.1
107.08601	35.9
109.10168	22.8
117.07001	7.2
119.08596	18.4
121.10150	27.3
123.11728	5.9
131.08582	13.6
133.10112	11.9
135.11716	21.0
137.13272	6.0
145.10132	14.9
147.11699	11.2
149.13295	13.8
155.01001	18.8
157.10077	4.1
159.11688	11.7
161.13272	5.3
163.14839	11.7
173.02109	14.4
173.13277	8.2
177.06274	4.4
219.60626	4.0
233.22598	4.4
243.21107	20.2
261.22159	56.3
265.96060	3.8
271.06131	6.4
277.00604	5.2
317.24713	6.7
335.25778	55.6
405.16302	23.1
433.29208	16.6
433.35403	4.8
441.48706	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.235
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03944	3.5
55.01869	2.5
55.05509	16.1
57.03442	15.5
57.07076	3.6
67.05504	68.5
69.07071	13.5
75.04482	2.6
79.05494	33.6
81.07057	72.3
82.04175	2.0
83.08614	7.8
84.04542	1.7
91.05477	22.3
93.07041	48.1
94.49243	1.7
95.04970	4.3
95.08608	58.3
97.06538	2.9
97.10174	3.0
98.21508	5.5
98.98466	100.0
100.56750	2.4
105.07028	13.2
107.08595	33.3
109.06487	2.5
109.10156	33.1
116.99493	3.0
117.07040	8.8
119.08572	10.6
121.10142	27.1
121.78165	1.9
123.11726	12.5
131.08569	11.7
133.10133	11.9
135.08084	2.2
135.11700	18.7
137.13286	6.0
145.10149	9.5
147.11627	9.2
149.13234	16.7
155.01042	12.5
159.11749	10.8
160.80811	2.1
161.13245	8.2
163.14861	9.5
173.02074	13.5
173.13277	7.7
173.14676	1.9
175.14796	4.3
177.16418	2.9
177.78891	1.8
183.67429	1.8
187.14803	5.5
201.16380	3.1
225.24323	1.7
229.64397	2.2
233.22595	4.5
243.21123	18.0
261.22128	52.0
317.24670	14.2
335.25803	99.3
336.26041	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.75199	1.9
55.05505	10.7
57.03436	10.3
57.07072	4.6
67.05164	3.8
67.05503	57.8
69.07059	12.9
70.10048	10.5
75.04465	2.3
79.05490	35.4
81.07056	65.0
83.08614	5.6
91.05472	19.2
93.07034	40.6
95.04939	4.2
95.08603	51.3
97.06538	2.1
97.10121	3.1
98.21465	2.6
98.98463	86.9
105.07016	16.2
107.08586	30.3
109.06533	2.8
109.10159	23.5
111.08052	2.5
116.99449	3.3
117.07014	5.6
119.08572	15.3
121.10128	19.4
123.11698	14.7
126.11917	1.9
131.08571	9.9
133.10106	10.6
135.11693	17.5
137.13284	5.2
145.10077	11.9
147.11696	7.1
149.13232	16.1
153.12744	2.1
155.01060	9.6
159.11691	8.5
161.13254	6.3
163.14832	6.4
173.02118	17.4
173.13280	7.2
175.14803	2.7
177.16443	4.0
187.14874	5.6
201.16597	3.7
233.22458	2.9
243.21013	19.4
244.44040	2.2
261.22156	53.4
277.21634	2.1
279.23209	2.7
317.24774	11.3
335.19183	6.7
335.25778	100.0
336.26239	4.5
415.22455	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	433.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40571	0.4
53.03934	0.6
55.01863	1.0
55.05490	0.8
56.05020	1.6
56.96559	1.8
61.02905	0.6
67.05492	1.4
69.03424	2.0
69.07066	8.1
69.46718	4.6
70.06583	1.5
71.04984	1.5
72.08138	0.6
73.02908	0.6
75.05605	2.7
77.22135	0.6
79.05491	2.0
81.03420	2.2
81.07056	2.4
83.04983	0.9
84.08126	0.5
85.02898	3.1
86.05601	0.5
86.06061	4.1
86.09703	100.0
87.00810	0.8
87.10021	0.9
91.05461	1.6
93.07057	2.4
95.04962	1.7
95.08614	1.3
97.02900	2.0
97.06533	1.7
98.97589	0.7
99.04465	1.1
104.05304	3.1
105.01842	0.8
105.07015	2.2
107.04945	1.1
107.08594	1.4
109.02911	1.5
109.06523	1.7
109.10183	0.9
111.08102	0.7
114.05522	8.9
114.09216	0.6
114.75020	0.5
116.98661	0.7
119.08529	1.1
121.06480	1.3
121.10128	0.8
123.08065	0.8
123.11671	1.1
127.03928	1.8
127.07481	0.5
130.06512	0.9
131.08501	0.7
133.03206	1.5
133.10124	1.0
137.02559	0.5
143.11789	14.0
145.04973	0.6
145.06430	0.7
145.10155	0.5
147.11674	1.8
149.13283	1.1
150.05850	4.0
152.70570	0.5
153.06625	0.8
159.02940	0.6
161.06009	0.8
161.13324	0.7
163.03951	0.7
165.12779	0.6
167.07011	1.6
167.14352	1.0
169.12262	1.3
171.07666	3.2
171.11319	2.0
171.78058	0.6
175.11150	1.2
181.04968	2.8
185.11736	1.3
185.15424	1.6
193.12317	1.1
207.06511	0.7
211.13231	1.0
217.12173	1.2
233.08188	0.8
235.13449	1.4
237.02875	0.9
238.15482	0.8
249.07669	0.7
253.14339	1.5
256.16550	14.0
263.14255	1.1
271.06006	6.5
284.16031	4.5
391.16180	0.5
403.13998	0.7
433.11206	0.6
433.16061	2.4
457.43082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
54.64505	2.2
55.01877	8.6
55.05511	7.8
56.05030	7.4
56.96553	4.6
61.01141	4.7
61.02934	3.9
67.05500	26.3
69.03423	22.5
69.07069	8.1
70.06590	11.0
71.04991	11.7
71.13314	4.6
71.13658	2.4
72.08158	6.8
73.02919	6.4
79.05480	9.5
81.03420	20.8
81.07072	19.5
83.04997	3.1
83.08618	5.5
84.04505	2.9
84.08144	13.4
85.02905	48.6
85.06539	14.0
86.09708	10.0
87.00819	18.9
91.05492	6.5
93.07043	32.6
95.04976	3.5
95.08618	8.5
97.02909	15.0
99.04465	8.9
104.05357	10.2
105.01865	14.3
105.07029	6.4
107.04946	18.6
107.08583	25.3
108.05293	6.4
109.02882	19.6
109.05629	3.4
109.06519	3.9
109.10151	27.0
111.08086	4.7
116.07162	2.5
116.98630	2.5
120.08112	10.0
121.06503	7.1
121.10125	12.6
123.11703	3.1
127.03922	31.7
129.10249	7.1
137.06017	3.2
145.04977	10.1
147.11697	5.2
149.07442	4.0
149.12038	4.8
149.13257	100.0
153.01817	5.0
159.02922	9.8
159.91165	2.8
167.14346	10.7
177.00674	3.0
185.15375	30.5
196.06789	2.5
207.13857	2.7
211.13263	4.7
217.12256	7.9
222.10544	2.4
231.05026	6.3
235.13338	6.0
237.64391	2.5
246.14799	3.1
248.99045	2.6
253.14427	4.7
267.12823	2.6
271.06091	7.3
283.06122	7.1
287.05499	35.6
288.05862	4.2
313.07123	7.8
323.09149	2.9
347.13855	6.0
365.14832	2.8
403.29211	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
54.64505	2.2
55.01877	8.6
55.05511	7.8
56.05030	7.4
56.96553	4.6
61.01141	4.7
61.02934	3.9
67.05500	26.3
69.03423	22.5
69.07069	8.1
70.06590	11.0
71.04991	11.7
71.13314	4.6
71.13658	2.4
72.08158	6.8
73.02919	6.4
79.05480	9.5
81.03420	20.8
81.07072	19.5
83.04997	3.1
83.08618	5.5
84.04505	2.9
84.08144	13.4
85.02905	48.6
85.06539	14.0
86.09708	10.0
87.00819	18.9
91.05492	6.5
93.07043	32.6
95.04976	3.5
95.08618	8.5
97.02909	15.0
99.04465	8.9
104.05357	10.2
105.01865	14.3
105.07029	6.4
107.04946	18.6
107.08583	25.3
108.05293	6.4
109.02882	19.6
109.05629	3.4
109.06519	3.9
109.10151	27.0
111.08086	4.7
116.07162	2.5
116.98630	2.5
120.08112	10.0
121.06503	7.1
121.10125	12.6
123.11703	3.1
127.03922	31.7
129.10249	7.1
137.06017	3.2
145.04977	10.1
147.11697	5.2
149.07442	4.0
149.12038	4.8
149.13257	100.0
153.01817	5.0
159.02922	9.8
159.91165	2.8
167.14346	10.7
177.00674	3.0
185.15375	30.5
196.06789	2.5
207.13857	2.7
211.13263	4.7
217.12256	7.9
222.10544	2.4
231.05026	6.3
235.13338	6.0
237.64391	2.5
246.14799	3.1
248.99045	2.6
253.14427	4.7
267.12823	2.6
271.06091	7.3
283.06122	7.1
287.05499	35.6
288.05862	4.2
313.07123	7.8
323.09149	2.9
347.13855	6.0
365.14832	2.8
403.29211	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.08379	0.2
57.75159	0.2
59.59266	0.2
59.82408	0.2
67.01857	0.3
70.72095	0.5
77.60170	0.2
77.73232	0.2
91.05482	0.2
96.36811	0.2
119.04948	1.6
121.02882	0.6
145.02837	0.5
153.01839	3.5
161.39291	0.2
163.03918	0.4
171.02914	0.8
178.20515	0.2
187.49271	0.2
187.87865	0.2
225.05354	0.2
229.05000	0.2
251.04744	0.2
271.06006	100.0
272.06332	2.1
433.11353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03941	0.1
55.01868	0.1
55.05498	0.1
57.03429	0.1
65.03933	0.1
66.03142	0.0
67.01862	0.1
67.05510	0.1
68.99788	0.7
69.03420	0.2
69.07071	0.1
70.06593	0.2
70.87100	0.0
71.01335	0.0
71.04991	0.4
71.13562	0.1
71.13897	0.0
72.08130	0.1
79.05491	0.2
81.03416	0.2
81.07054	0.1
83.01354	0.0
83.04968	0.0
84.08150	0.1
85.02901	0.7
86.09715	0.1
87.00816	0.0
91.05472	0.1
93.03406	0.0
93.07049	0.1
95.04964	0.2
95.08619	0.1
97.02871	0.1
98.09695	0.0
100.11279	0.0
103.05466	0.1
104.05310	0.1
105.03390	0.4
105.07005	0.1
107.04955	0.6
107.08553	0.0
108.05272	0.1
109.02874	0.4
109.10149	0.1
111.00806	0.9
111.04449	0.2
113.05012	0.0
115.05452	0.1
116.98540	0.0
117.07005	0.1
119.04936	0.1
120.08093	0.2
121.02866	3.5
121.06511	0.2
121.10143	0.0
127.03896	0.2
127.05441	0.0
129.05458	0.1
129.07002	0.1
129.10233	0.1
133.02863	0.6
133.10172	0.0
135.04391	0.1
137.02336	1.0
137.05992	0.0
141.06973	0.2
145.04881	0.0
145.05438	0.0
145.06488	0.3
147.04402	0.8
147.11729	0.0
149.02295	0.0
149.06049	0.0
149.13271	0.2
151.03923	0.1
153.01822	4.9
157.06488	0.5
161.02303	0.1
161.05943	0.3
163.03873	0.0
164.55824	0.0
165.01840	2.3
167.14310	0.0
169.06465	0.1
171.02954	0.1
171.04399	0.3
173.05965	0.0
175.03914	0.1
175.07436	0.1
181.05086	0.0
183.02893	1.2
183.04517	0.1
185.05975	0.7
185.15401	0.1
189.05475	0.2
194.02090	0.1
197.05965	0.2
199.03908	0.1
201.05522	0.1
203.03383	0.1
203.07069	0.2
211.13170	0.1
213.05449	1.8
214.05762	0.0
217.04951	0.1
217.12256	0.1
229.04979	0.2
231.06522	0.9
235.13374	0.1
241.02612	0.1
241.04942	1.1
242.05696	0.1
243.06538	0.1
245.04451	0.1
246.14996	0.1
246.65189	0.0
248.14478	0.1
253.14183	0.1
258.05231	1.5
259.06012	0.5
269.04318	0.3
271.05920	0.3
272.06143	0.1
286.04474	0.1
287.05484	100.0
288.05811	2.0
288.09146	0.0
299.05557	0.1
329.06387	0.1
347.13733	0.1
353.06372	0.1
382.84860	0.0
397.09033	0.1
433.11371	0.3
433.23712	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	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.12093	0.3
67.01860	0.6
69.52587	1.9
69.52994	0.4
84.61374	0.3
119.04934	2.0
119.08646	0.3
121.02839	0.4
145.02831	0.5
153.01810	4.2
163.03931	0.5
171.02866	0.8
188.84613	0.3
254.08131	0.3
269.88226	0.3
271.05997	100.0
272.06302	2.4
298.87933	0.3
389.06824	0.4
433.11343	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	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
61.54123	0.1
65.03933	0.1
68.99786	0.6
69.03407	0.2
71.04980	0.5
71.59673	0.1
71.60092	0.1
78.06722	0.1
79.05475	0.3
81.07056	0.2
85.02895	0.6
91.05463	0.3
93.07029	0.2
94.37325	0.1
95.04955	0.2
95.08578	0.2
97.02918	0.2
97.06504	0.1
103.05447	0.1
105.03393	0.3
105.07040	0.3
107.04932	0.5
107.08585	0.1
109.02879	0.4
109.10159	0.2
111.00816	0.8
111.04448	0.2
115.26457	0.1
119.04936	0.2
121.02857	3.2
127.03925	0.1
129.07028	0.2
133.02837	0.7
135.04356	0.1
137.02327	1.1
137.05962	0.2
145.06502	0.3
145.10104	0.2
147.04407	0.8
147.11647	0.2
153.01828	4.9
157.06477	0.5
157.10187	0.2
161.05998	0.2
165.01843	2.0
169.06293	0.2
171.04431	0.2
171.11702	0.2
181.05080	0.2
183.02885	1.2
185.05956	0.5
189.05463	0.2
197.06087	0.1
203.07037	0.2
213.05438	1.6
231.06587	0.8
241.04994	1.0
243.06563	0.2
258.05280	1.4
259.06067	0.6
269.04434	0.2
271.05997	1.0
287.05490	100.0
288.05832	2.5
303.91101	0.1
310.55457	0.1
433.11481	0.2
433.18372	0.9
433.23651	0.2
433.31027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05511	0.2
57.03418	0.1
61.02903	0.3
65.03920	0.2
66.92204	0.1
67.05489	0.2
67.50463	0.1
68.99783	0.8
69.03437	0.1
70.79298	0.3
71.04993	0.5
73.02894	0.1
79.05499	0.2
81.03402	0.2
81.07033	0.2
83.05022	0.1
85.02900	0.5
85.06513	0.1
89.22608	0.1
89.83432	0.1
91.03946	0.2
91.05453	0.1
92.40532	0.1
95.04978	0.1
95.08604	0.2
97.02881	0.1
100.11207	0.1
105.03392	0.3
107.04965	0.5
109.02878	0.3
111.00806	1.1
111.04391	0.2
121.01988	0.2
121.02863	3.5
127.03905	0.2
129.07022	0.1
133.02849	0.7
135.04411	0.2
137.02327	1.1
141.06950	0.2
145.06458	0.1
147.04405	0.7
147.08170	0.1
153.01823	4.7
157.06482	0.7
161.05962	0.2
161.13216	0.1
165.01830	2.2
169.06396	0.1
171.03027	0.1
171.04439	0.3
175.03854	0.2
181.05063	0.1
183.02917	1.3
184.04984	0.1
185.05952	0.6
189.05426	0.3
197.05983	0.2
203.03445	0.2
203.07103	0.2
213.05455	1.6
231.06502	1.0
233.78726	0.1
241.04976	0.9
243.06471	0.2
246.64238	0.1
250.51909	0.1
258.05243	1.6
259.06033	0.5
269.04364	0.2
271.06009	1.0
271.18970	0.2
286.04593	0.1
287.05481	100.0
288.02911	0.2
288.05856	2.0
360.22491	0.2
432.76221	0.4
433.11279	0.2
436.77094	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	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.6
56.96559	0.7
58.04517	0.5
58.72726	0.6
67.05501	1.0
68.10628	0.5
69.03419	1.3
69.90320	3.6
70.06573	2.9
71.04980	0.7
72.08154	1.8
73.06545	1.1
85.02864	1.3
85.06555	1.1
86.09714	4.4
87.04467	6.7
87.10044	1.0
89.06029	100.0
90.06391	0.6
91.05466	0.8
93.07047	0.8
95.04958	0.8
95.08615	0.8
95.09186	0.5
97.02916	1.0
98.97623	0.9
106.03287	0.6
107.04967	4.0
107.07051	4.7
107.08590	0.9
108.05295	1.8
109.06549	0.9
110.07161	1.0
116.98546	0.6
117.09138	0.8
119.08572	1.0
120.08141	0.8
127.03914	0.9
128.98761	0.5
129.10234	0.9
130.08600	0.8
131.07016	1.8
131.08559	0.5
133.08598	69.1
175.09695	1.1
177.11212	25.2
191.14320	0.7
201.12247	0.6
219.59750	0.5
221.13812	3.9
225.30672	0.5
236.10439	0.7
239.14873	2.0
270.21045	0.7
283.17645	2.3
327.20215	2.0
371.22784	2.4
415.25363	17.9
432.14807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
50.42570	0.2
51.02379	0.5
53.03936	1.2
55.01873	0.4
60.94377	0.2
62.06086	0.2
65.03940	0.9
69.03429	3.2
70.18184	1.0
70.18518	0.3
71.04982	0.3
71.81638	0.2
72.08144	0.2
73.02924	0.5
78.03452	4.7
79.05489	0.3
80.05016	0.8
81.03410	5.4
81.07057	0.4
85.02898	2.9
87.05583	0.4
91.05479	8.2
93.07037	0.9
95.04977	0.9
95.08629	0.4
96.04488	4.9
97.02886	2.6
98.97527	0.3
99.04454	1.2
103.05437	0.3
104.33122	0.2
105.07034	0.4
106.02912	18.9
107.04953	0.8
108.05267	0.3
109.02881	3.9
116.98622	0.2
119.04939	20.4
121.06504	8.4
121.07368	0.5
121.10117	0.3
123.04420	4.7
124.03951	39.1
125.04268	0.3
127.03927	2.6
133.06032	1.1
139.02109	0.2
145.04951	0.3
147.04404	100.0
148.04756	1.3
165.05467	1.9
166.05000	1.1
167.07059	0.3
170.21170	0.2
196.06010	0.3
231.06512	0.4
250.07112	9.6
268.08148	20.1
269.08582	0.6
271.06097	0.4
324.81256	0.3
388.92599	0.2
396.10974	0.4
403.72818	0.3
414.11859	3.9
432.12891	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	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.01879	3.9
55.80963	2.4
56.96560	5.1
57.03434	3.3
58.06601	4.1
60.04527	37.2
69.03422	10.2
69.50942	17.4
70.06603	12.4
72.08150	7.6
73.02909	2.2
79.05514	4.0
80.05834	2.1
81.03413	4.9
81.07042	2.7
84.08134	3.4
85.02906	24.9
85.06542	2.4
86.06057	4.1
86.09700	14.0
91.03986	2.2
91.05491	9.2
93.07024	5.9
94.06564	2.5
95.04970	5.8
97.02891	5.9
98.20731	3.2
98.97508	2.8
98.98465	2.8
103.05453	7.3
105.07032	13.4
107.04963	9.8
109.02853	3.5
110.07195	2.9
115.05447	5.9
117.07087	2.9
118.06531	6.9
119.04944	6.5
120.08080	10.5
121.06516	14.9
123.04453	4.9
127.03912	5.7
131.04935	9.8
131.08162	3.6
133.02879	3.8
133.06470	11.8
135.04387	3.0
137.05983	10.4
145.06505	3.9
146.06015	14.0
147.04387	3.8
147.06773	7.3
147.08044	6.7
149.05989	19.4
150.48984	2.0
159.04457	4.3
160.07587	4.3
161.05992	19.8
163.03995	2.9
164.04712	4.3
165.05489	4.3
167.07037	100.0
168.07393	2.2
173.05988	5.5
175.07591	9.0
176.07056	4.9
177.05473	38.6
178.06146	4.0
178.08665	3.7
179.07043	4.9
181.08652	5.5
183.06557	14.6
188.04703	2.8
190.08646	12.1
191.07053	4.6
192.06424	3.6
192.07892	5.4
193.08682	20.4
194.05722	3.4
195.08954	5.6
197.08069	3.6
198.05627	3.3
202.08685	3.8
203.07074	3.0
204.06628	2.5
205.07188	4.3
205.08810	3.7
206.08231	3.2
206.10150	2.4
208.09758	7.1
209.08096	36.4
210.11253	45.0
211.09651	5.7
216.06555	3.2
220.09668	14.6
222.11293	18.3
227.09140	43.1
230.11450	3.5
234.11333	7.8
235.09615	3.9
238.10756	15.9
252.08582	2.8
252.09799	3.1
252.12334	35.8
253.10672	26.7
270.13370	32.2
311.11691	4.9
358.33820	2.4
372.16489	8.1
415.16086	3.6
432.06427	2.5
432.19208	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	431.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05516	6.9
56.05032	1.0
56.96558	0.8
57.03437	0.4
57.05814	0.4
61.02920	0.7
67.05505	0.4
67.07764	0.3
69.03433	1.8
69.07075	0.4
70.06594	2.5
71.04991	0.6
71.58963	0.4
72.08154	100.0
73.02928	0.6
73.08494	0.8
74.06068	0.8
79.05493	0.6
81.03427	1.5
81.07053	1.1
84.04504	1.4
84.08130	0.9
85.02908	3.1
86.06070	2.3
86.09708	10.3
87.10053	0.4
88.03992	0.6
91.05471	0.9
93.07043	1.0
95.04990	0.5
95.08600	0.5
97.02882	1.8
98.97591	0.5
98.98499	0.6
99.04451	0.5
102.05537	1.4
105.07030	1.1
107.04952	3.5
107.08567	0.4
109.02908	0.9
109.06519	0.4
109.10174	0.5
114.05531	1.5
116.07096	0.9
116.73106	0.3
116.98641	0.8
117.07044	0.4
119.04951	0.8
119.08572	0.7
120.06599	1.3
121.10095	0.5
127.03906	2.2
130.05025	1.0
130.06546	1.4
132.04451	0.6
134.99661	0.4
137.05975	0.5
143.11798	0.8
145.04955	0.9
147.03423	0.5
147.04358	2.4
148.07571	1.1
149.09615	0.5
157.07622	0.4
158.06024	0.5
162.07687	0.7
165.09065	0.4
166.08635	0.9
171.11351	0.7
171.13680	0.4
171.14888	2.2
175.08759	0.5
177.00800	0.6
185.12917	0.9
199.14499	1.8
199.18047	1.1
200.68610	0.4
201.12335	4.2
205.11943	0.6
213.12338	22.2
215.05632	0.4
219.13393	7.3
227.17528	0.6
229.07336	0.7
229.57365	0.4
243.13478	0.6
251.16364	0.6
257.06863	0.5
261.14621	0.9
269.13678	1.0
269.17340	0.7
284.19836	1.9
288.17084	0.4
299.13831	1.2
300.13550	0.6
300.19150	1.2
302.12329	0.7
312.19202	2.5
316.16299	0.6
367.77859	0.5
383.36563	0.4
387.16376	0.7
413.24045	0.9
431.17645	3.4
431.22705	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	4'-O-Methylpuerarin
Peak:m/z	Relative Intensity
53.03934	1.5
55.01878	0.5
55.05500	0.5
55.93690	0.4
56.96545	0.8
57.03421	0.3
61.02900	0.3
67.05502	1.0
69.03423	4.9
69.07052	1.1
69.85322	0.4
70.93966	0.4
70.94302	0.7
77.03924	0.4
79.05495	1.5
81.03418	6.0
81.07050	1.5
83.08635	0.5
85.02905	2.3
86.09701	0.4
91.05471	1.0
95.04964	1.6
95.08596	1.4
97.02884	2.1
97.06528	1.1
98.97574	0.7
99.04449	1.1
100.29263	0.4
105.07016	0.7
107.04953	100.0
108.05272	0.7
109.02880	3.4
116.98579	0.6
118.08664	1.8
119.08539	0.6
121.08282	0.4
127.03912	7.0
131.08601	0.6
133.10144	0.7
134.93256	0.3
135.11755	0.5
145.04968	0.5
153.01825	3.0
153.05429	0.5
177.00760	0.6
222.98111	0.5
245.04475	0.9
247.09689	0.6
247.90685	0.4
273.03949	3.4
279.08661	3.4
302.04315	1.0
303.04953	0.5
307.14816	0.8
343.62085	0.5
350.41895	0.4
399.10770	9.1
410.54572	0.4
431.13336	9.7
431.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01875	1.1
55.05500	2.0
56.96556	2.1
57.03432	6.3
62.78435	1.0
67.05486	3.6
69.03419	6.1
69.07062	3.3
69.63481	7.3
70.06590	2.6
71.04983	2.5
71.57408	1.1
72.08131	1.4
77.16216	0.9
77.25676	1.0
79.05502	2.5
81.03414	6.3
81.07039	3.8
83.08615	0.9
85.02895	7.9
85.06541	100.0
86.09702	12.2
87.00826	2.3
91.05462	2.2
93.07037	4.8
95.04951	2.6
95.08597	3.3
97.02888	4.5
98.97573	4.0
99.04467	1.7
105.07039	2.2
107.04952	57.7
107.08567	3.1
108.05302	1.6
109.02862	3.6
109.06551	1.2
109.10143	2.6
111.08085	4.4
116.98588	3.5
119.08527	4.8
121.06470	1.1
121.10142	1.7
123.08047	2.6
127.03911	8.5
131.08522	1.1
133.10149	1.3
134.99635	1.3
135.11647	2.0
147.11652	3.0
149.13251	3.4
158.99632	1.8
165.12837	1.3
177.00719	2.3
183.13782	7.8
237.02835	1.4
251.09552	2.2
269.10419	4.9
287.11642	4.0
345.12247	2.5
363.13449	1.1
387.16296	1.3
413.14499	1.3
431.14371	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	431.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.76677	0.3
53.03936	1.2
63.81336	0.3
67.01823	0.4
69.03433	3.7
70.06593	0.7
70.20153	1.2
71.04988	0.8
72.08168	0.4
79.05488	0.8
79.82396	0.3
81.03415	4.5
85.02882	0.9
86.09710	3.5
89.67369	0.3
91.05457	0.4
95.04973	1.6
97.02900	2.6
99.04465	1.5
107.04953	100.0
108.05299	0.7
109.02882	3.0
127.03915	5.7
127.98212	0.3
136.99525	0.3
142.00580	0.3
170.06059	0.3
201.12428	0.4
263.01196	0.3
279.08603	3.6
286.11850	1.2
431.22888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02380	0.3
53.03944	1.2
55.01865	0.4
57.03433	0.2
60.14215	0.1
67.01859	0.4
69.03068	0.2
69.03427	3.3
69.07051	0.3
70.16744	0.6
71.04975	0.3
72.08125	0.2
77.03931	0.2
78.78398	0.1
79.05492	1.1
81.03413	4.3
81.07040	0.5
83.04954	0.1
85.02888	0.9
85.06542	0.2
86.09711	0.5
89.66902	0.1
95.04973	1.6
95.08653	0.1
97.02882	2.2
99.04446	1.2
99.08083	0.3
100.82635	0.1
105.04507	0.4
107.04951	100.0
108.05277	0.9
109.02882	3.0
109.06495	0.1
109.10194	0.1
121.10139	0.4
123.11723	0.2
127.03909	5.1
127.34751	0.1
134.03580	0.2
139.11172	0.1
145.04915	0.2
150.51451	0.1
165.12813	0.2
175.05954	0.1
183.13802	2.7
203.06917	0.1
215.07056	0.2
219.06540	0.2
261.07346	0.2
269.12811	0.2
279.08636	3.3
431.18741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05509	2.1
57.07073	14.8
61.87585	1.4
62.52724	1.6
66.94864	1.8
67.05505	4.9
67.56089	1.6
69.07070	4.8
71.08628	9.8
71.26978	4.0
80.73579	1.5
81.07050	4.2
83.08594	4.4
85.10190	5.2
92.15699	1.6
93.07055	2.4
95.08617	5.8
97.10183	2.2
107.08591	4.2
109.10155	4.7
119.08572	2.7
121.10146	4.0
123.08016	1.7
123.11725	1.9
131.08575	2.8
135.08096	2.8
137.09618	7.7
149.09589	13.0
159.08089	1.6
163.11159	19.7
164.08318	2.2
165.09108	100.0
166.09340	2.4
173.09616	2.9
175.11223	4.0
177.09082	10.0
179.10747	2.3
187.11168	3.7
191.10661	10.1
203.10667	2.6
205.12215	10.8
219.13829	5.9
233.15297	3.4
330.49078	1.6
345.28009	1.8
401.34161	1.8
411.36514	2.8
429.31720	17.9
429.37308	46.7
430.37863	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	431.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.1
51.02373	0.3
53.03939	0.9
55.01855	0.3
57.03436	0.3
67.01847	0.4
67.05490	0.2
69.03423	5.8
71.01335	0.1
71.04985	0.4
71.59841	0.3
77.03922	0.3
79.05497	0.9
81.03411	4.9
81.07045	0.3
83.01375	0.2
85.02895	1.3
85.06538	5.7
87.00810	0.2
91.05479	0.2
93.07018	0.3
95.04960	1.8
95.08578	0.1
97.02889	1.9
99.04443	1.1
105.04527	0.3
105.06976	0.2
105.80508	0.1
107.04945	100.0
108.05274	0.9
109.02866	3.0
109.06483	0.2
109.10051	0.1
117.06996	0.2
119.04838	0.2
119.08578	0.2
121.10112	0.2
123.04302	0.1
123.08064	0.2
127.03902	10.2
130.14798	0.1
145.04951	0.4
145.06584	0.2
147.02676	0.1
147.11722	0.2
153.05473	0.3
183.13788	0.2
189.05472	0.2
195.06509	0.2
203.07031	0.2
204.31740	0.1
211.53722	0.1
215.07086	0.2
219.06505	0.3
233.08174	0.2
254.89766	0.2
261.07541	0.3
277.02545	0.1
277.10294	0.1
279.08600	2.7
298.90833	0.1
303.87231	0.1
355.08325	0.2
431.12750	0.2
431.22363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03950	1.3
55.01859	0.4
62.50451	0.3
69.03431	4.5
71.04961	0.4
75.41334	0.3
77.03948	0.4
79.05487	1.1
81.02974	0.5
81.03420	5.5
85.02898	1.2
88.32689	0.3
91.54687	0.3
95.04971	1.9
97.02901	2.1
98.20603	0.5
99.04448	1.3
107.04955	100.0
108.05293	0.8
109.02872	3.1
127.03918	8.8
134.03630	0.3
151.11148	0.3
158.09937	0.3
176.84778	0.3
241.08330	0.3
279.08688	3.0
431.13647	0.3
434.99799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.49648	1.0
55.05487	1.8
57.07077	13.3
65.83666	1.0
67.05489	4.1
69.07061	4.4
70.44338	3.4
71.08631	9.5
74.87225	0.8
79.05476	1.5
81.07059	7.6
83.08596	2.6
85.10169	4.6
91.05456	1.4
92.00999	0.8
93.07029	2.4
95.08611	6.4
97.10143	1.6
105.07022	2.3
107.08557	4.9
109.10157	7.2
111.11729	1.1
114.19032	0.9
119.08565	4.9
121.06467	2.7
121.10124	3.0
122.07231	1.7
123.08015	1.3
123.11713	2.1
125.05972	1.1
131.08568	1.4
133.10121	1.1
135.08014	4.0
135.11668	2.4
136.08830	2.6
137.09622	10.4
137.51622	0.9
139.07520	2.0
145.10132	2.1
149.09613	10.8
159.08017	1.5
159.11717	2.2
160.08763	1.4
163.09816	1.6
163.11179	19.6
164.08347	6.5
165.09106	100.0
166.09352	1.2
173.09621	2.1
173.13203	1.5
175.11179	3.8
176.08282	1.1
177.09087	10.0
177.12668	2.1
179.10722	1.6
187.11130	2.4
187.14758	1.1
189.12637	1.5
191.10674	6.6
201.12682	3.4
203.10620	1.1
205.12241	9.1
215.14247	1.6
219.13770	4.5
233.15352	2.8
247.16881	2.0
289.21619	1.6
303.23093	1.2
317.24829	1.0
328.41669	0.9
401.34189	2.6
411.36041	2.6
429.31732	5.9
429.37201	36.5
430.32230	1.7
430.37973	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	429.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
55.05505	2.6
55.05701	0.6
57.03402	0.5
57.07051	1.2
58.70806	0.5
61.02912	0.8
65.03898	0.5
67.05510	4.4
69.07067	3.3
69.88450	1.6
69.88882	1.7
71.04967	1.0
76.50231	0.5
79.05492	4.8
81.07050	13.6
83.04971	1.0
83.08610	2.9
85.06516	0.8
91.05457	5.6
93.07036	16.5
95.04933	2.0
95.08604	15.3
97.06492	1.5
97.10129	1.4
98.20728	0.6
105.07024	5.8
106.44861	0.5
107.08591	10.7
109.06469	2.2
109.10141	6.1
111.08052	1.4
111.11680	0.7
113.00008	0.7
113.09652	2.5
117.06989	2.1
119.08578	6.8
121.06531	2.5
121.10130	9.3
123.08065	2.6
123.11685	6.1
129.06999	1.7
131.08542	5.8
131.38733	0.6
133.06390	0.6
133.10114	7.3
135.08047	2.7
135.11687	6.2
137.09584	0.6
137.13242	0.9
139.07532	0.9
141.12692	0.9
143.08548	3.5
144.09267	0.8
145.10086	8.3
147.08051	1.1
147.11670	8.1
149.02318	1.9
149.09572	2.3
149.13263	4.9
151.11134	0.5
155.08499	1.5
157.10127	4.2
159.11684	7.3
161.09624	2.9
161.13242	3.3
163.11137	2.6
163.14816	3.8
167.10655	0.7
169.02644	1.0
169.10083	2.1
171.11700	5.5
173.13248	8.1
175.11165	1.0
175.14865	2.8
177.12703	0.8
177.16336	2.9
183.11632	2.2
185.13243	6.7
187.14806	5.5
189.12709	2.1
189.16341	1.4
191.14282	5.5
193.04953	2.1
195.11679	0.6
195.13747	0.8
197.13278	2.7
199.14774	4.7
200.15288	0.5
201.12784	0.8
201.16313	2.8
203.14293	1.5
205.15874	1.2
207.13795	5.6
211.14833	2.8
213.16275	2.7
215.17941	0.8
217.15833	2.1
221.15273	2.0
225.14484	0.5
225.16402	3.7
227.17870	1.1
229.16029	0.9
231.17453	0.8
235.16866	0.9
237.07468	0.7
239.17917	2.3
241.19473	3.0
243.17584	1.2
247.16867	1.1
253.19537	1.3
259.20636	3.2
261.18524	3.9
271.20453	1.5
271.23904	0.9
281.22617	21.2
287.20004	2.7
299.23672	20.8
300.24097	0.6
317.24734	100.0
318.24976	3.5
410.27560	0.5
429.11948	1.3
429.33633	59.1
430.33914	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05509	18.0
56.96557	3.6
57.03434	5.2
61.90556	3.0
66.90720	2.9
67.05503	28.9
67.20808	2.9
69.07069	22.3
71.04987	7.6
71.43277	7.5
74.72697	3.1
79.05490	22.1
81.07051	85.8
83.04974	4.5
83.08611	16.2
85.06546	11.7
86.09671	4.1
91.05455	24.1
93.07040	32.3
95.04928	4.3
95.08607	97.0
97.06522	21.2
97.10155	7.4
99.08086	10.2
99.34440	3.3
101.06087	3.2
105.07039	36.5
107.08578	15.0
109.06537	4.5
109.10154	9.3
111.08058	7.8
113.03730	2.8
113.09619	3.4
117.07009	6.0
119.08582	49.0
121.10158	15.7
123.08052	7.2
130.65187	3.4
133.10114	36.8
135.11681	22.7
137.13280	12.3
149.02339	13.2
161.13249	100.0
162.13693	3.8
179.14314	75.2
193.04958	14.0
197.15359	35.3
215.16457	10.4
278.63800	5.1
299.64133	3.5
357.27863	11.5
373.53531	3.0
375.29105	18.0
404.11243	3.4
429.12033	13.8
429.19049	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	429.3362
Annotation	Topsentisterol B4
Peak:m/z	Relative Intensity
53.56688	1.6
55.05510	4.3
57.03434	2.9
57.07076	3.7
67.01921	2.0
67.05512	9.2
69.03440	2.2
69.07067	5.6
71.08643	2.2
71.61578	2.4
73.02922	2.1
77.15182	1.6
79.05498	6.9
81.03423	6.6
81.07058	17.8
81.94714	1.9
83.08639	2.5
85.02924	2.0
85.10178	14.0
86.83901	1.9
91.05458	3.8
93.07059	7.9
95.04980	4.6
95.08601	61.4
97.02917	3.0
105.07047	8.0
107.04954	3.0
107.08590	9.2
109.10191	3.2
111.35577	1.7
113.09661	11.4
117.07011	2.2
119.08588	7.9
120.64197	1.7
121.10172	4.4
122.44202	1.8
131.08603	4.9
133.10181	6.9
135.08107	2.2
135.11729	3.5
145.10147	4.4
147.11693	6.2
149.02434	1.9
155.08615	2.6
157.10234	4.2
159.11710	3.0
161.09671	2.7
161.13257	2.1
171.11702	2.6
171.33804	2.1
175.11281	3.4
183.11705	2.8
185.13284	1.9
193.12303	3.9
194.88356	1.7
195.11757	3.1
251.17876	1.7
269.19092	3.9
285.18481	3.1
287.20193	2.9
299.23743	5.0
393.31427	3.2
411.32632	6.0
429.12195	2.9
429.19724	5.9
429.33496	100.0
430.33743	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	429.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05507	2.5
57.03436	5.8
57.07064	0.7
65.03931	0.4
67.05499	8.2
69.07070	2.5
69.74313	0.4
69.91581	2.5
79.05500	8.5
81.07054	11.0
83.08634	1.1
85.06539	0.7
91.05479	5.2
93.07042	10.6
95.04962	1.1
95.08604	7.3
98.98476	0.7
99.08128	0.7
105.07025	4.0
107.08594	7.5
109.10164	3.5
113.00012	100.0
117.07033	2.0
119.08581	3.1
121.10145	6.3
122.83501	0.4
123.11713	1.7
126.19338	0.5
131.01045	1.2
131.08559	4.5
133.10133	2.9
135.11687	5.2
137.13269	0.8
139.01575	0.8
145.10107	4.3
147.11679	2.6
149.13239	5.4
155.00980	0.7
159.11674	2.5
161.13293	1.9
163.14813	3.4
169.02603	88.7
170.02919	0.6
173.13223	2.6
175.14836	0.7
176.31259	0.5
177.16290	1.2
186.05508	0.5
187.14856	1.6
201.16499	0.7
215.22377	0.5
233.22548	0.9
243.21088	6.8
261.22134	21.2
263.48587	0.5
275.23798	1.1
321.89856	0.6
429.24069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83458	2.0
53.03940	10.2
55.01863	9.4
55.05509	20.9
55.66018	2.2
56.96570	3.2
57.03440	22.8
61.02924	17.5
65.03931	2.4
67.05500	35.2
69.03426	33.3
69.07055	9.4
69.69415	19.1
70.06565	7.9
71.01347	4.8
71.04972	6.5
72.08140	4.2
73.02911	13.7
76.97479	2.1
78.10526	2.3
79.05492	34.2
81.03417	100.0
81.07052	33.9
83.04971	9.8
83.08623	20.3
85.02904	36.6
85.06523	7.1
86.09682	7.2
87.00838	2.7
91.03938	9.6
91.05459	33.3
93.07040	26.9
95.01289	6.2
95.04967	71.8
95.08589	18.2
97.02885	39.5
97.06525	4.5
97.10163	7.7
98.20798	3.0
99.04449	9.0
101.02375	4.3
103.03920	9.8
105.03429	2.7
105.07031	28.8
107.04944	21.0
107.08607	14.3
109.02875	22.3
109.06503	7.2
109.10152	6.7
111.04431	6.5
111.08101	5.8
117.06998	11.6
119.04932	5.9
119.08579	20.9
121.02833	3.2
121.06516	15.2
121.10113	15.6
123.04419	40.0
123.08082	6.0
123.26852	2.6
125.09644	4.0
127.03916	25.7
129.06998	10.2
131.04884	7.8
131.08569	11.6
131.77290	2.5
133.06490	5.1
133.10162	15.5
134.99596	2.9
135.04376	3.8
135.08035	8.5
135.11668	7.9
137.02266	2.7
137.05946	6.2
139.03874	3.3
143.08601	6.8
145.04974	5.5
145.06445	5.2
145.10133	17.6
147.04384	8.9
147.08017	7.0
147.11659	14.8
149.05957	8.8
149.09598	6.7
153.09058	6.1
155.08495	3.3
157.10101	8.7
159.11656	4.2
161.06001	6.0
161.09630	2.6
163.03841	3.5
163.11186	32.3
165.12726	9.9
167.32664	2.5
169.10152	3.4
171.04333	2.6
171.11664	7.6
173.05887	2.9
173.09630	6.7
175.07472	3.4
175.11148	10.4
177.12703	2.7
181.12221	5.5
185.09372	2.4
187.11324	3.5
189.12694	10.2
191.10594	4.1
193.12238	34.4
199.11111	4.4
201.96048	3.0
203.05151	2.9
205.12233	6.1
207.13791	10.7
211.13297	33.1
213.05482	4.0
213.12714	2.8
217.12234	9.0
223.13379	5.8
231.13606	2.5
235.13295	55.8
243.10851	3.9
249.14835	10.0
253.14323	4.0
255.13812	3.3
259.13229	13.8
267.11929	6.9
267.15961	24.1
273.14917	22.0
277.14349	8.9
285.16974	6.9
301.14334	16.7
309.17032	27.6
319.15378	6.9
343.17178	3.6
345.16702	2.9
357.16788	3.4
375.17981	18.7
385.18246	13.8
393.19000	11.5
411.20453	4.4
429.16339	65.0
429.21414	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49068	3.3
53.03946	8.9
54.27579	3.5
55.01866	9.3
55.05508	20.5
56.96557	5.2
57.03436	25.8
59.05011	5.0
61.02923	23.7
67.05508	38.7
69.03436	37.4
69.07059	11.3
70.06590	25.4
71.01323	7.2
71.04990	8.2
71.60748	6.1
72.08145	12.3
73.02925	17.8
79.05103	4.6
79.05496	37.8
81.03415	100.0
81.07049	30.0
83.04971	16.2
83.08607	16.6
84.08150	6.3
85.02903	50.9
85.06553	8.5
86.09701	33.5
87.04482	4.8
91.03959	10.3
91.05445	38.2
93.07046	38.1
95.01300	5.4
95.04972	87.9
95.08603	14.9
97.02892	41.1
97.06520	8.5
97.10148	10.7
98.97583	7.2
98.98485	5.3
99.04440	13.4
101.02389	4.5
103.03951	12.8
105.01891	4.0
105.07034	34.0
107.04955	31.1
107.08595	16.6
109.02882	22.9
109.06536	17.5
109.10149	6.7
111.04443	9.5
111.08074	6.1
115.05463	3.9
116.98640	4.6
117.07030	19.5
119.04897	8.0
119.08588	25.6
121.06535	18.3
121.10138	16.4
123.04444	50.7
123.08043	6.4
125.06027	5.2
125.09616	8.5
126.44465	3.6
127.03938	19.5
129.07007	16.1
131.04979	5.7
131.08572	14.6
133.06529	6.6
133.10086	13.8
135.08023	9.4
135.11699	10.1
136.07614	5.6
137.05962	11.0
143.08574	7.8
145.04997	5.8
145.06422	5.8
145.10165	17.6
147.04388	11.9
147.08087	5.9
147.11668	16.2
149.05977	7.9
149.09613	4.9
153.09149	4.0
155.08473	5.2
157.10112	14.0
159.11754	5.3
161.06004	7.5
161.09581	6.1
163.11197	35.8
165.12752	7.3
171.11671	13.0
173.09599	7.2
173.13039	6.1
175.07524	3.9
175.11194	11.8
177.00690	4.3
189.05460	7.6
189.11220	4.1
189.12712	18.9
191.10684	6.9
193.12195	39.0
197.13184	3.9
205.12202	9.9
207.13780	15.9
211.07481	4.1
211.13304	41.1
217.12263	10.1
223.13351	6.8
228.13727	4.7
235.13293	85.2
246.14886	10.7
249.14912	8.7
253.14313	8.7
259.13306	18.3
267.11884	8.2
267.15961	22.8
273.14813	25.7
277.14267	7.0
283.13193	4.3
285.17050	7.9
289.14609	7.4
301.14478	22.8
309.17001	39.9
319.15451	10.1
333.17062	4.6
337.16638	5.1
351.17880	6.2
359.03131	4.8
363.17633	4.2
375.17938	25.8
393.19034	12.7
410.27069	4.0
411.20276	8.6
429.21759	59.2
430.22153	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01870	6.2
55.05506	17.7
56.96552	1.5
57.03435	16.8
61.02924	4.0
64.00195	1.3
64.06506	1.5
67.05501	22.2
69.03030	1.5
69.03426	31.4
69.07072	8.2
69.55804	12.7
70.06590	2.8
71.04993	10.5
73.02914	4.1
79.05492	18.3
81.03417	98.0
81.07056	25.4
83.04978	22.9
83.08627	21.9
85.02906	27.6
85.06554	2.0
87.04462	2.7
91.05475	23.9
93.07033	17.4
95.04969	30.9
95.08618	9.5
97.02896	50.1
97.06527	4.4
97.10189	3.9
99.04455	9.0
99.08076	2.1
101.02381	3.0
103.03942	1.9
105.07028	16.7
107.04969	7.6
107.08609	11.7
109.02879	17.4
109.06507	7.8
109.10131	2.9
111.04482	7.8
111.08095	12.1
113.05968	1.9
115.05444	2.8
117.07005	4.0
119.08575	17.5
121.06496	4.9
121.10120	10.8
123.04417	4.6
123.08087	3.5
123.11648	2.0
125.09641	3.7
127.03924	20.3
129.05489	3.4
129.06990	9.2
131.04932	1.8
131.08580	10.0
133.06467	3.3
133.10164	8.1
135.11688	2.4
137.06070	1.6
137.09564	2.1
142.07744	2.3
145.04973	3.4
145.10184	4.2
147.04218	1.5
147.08052	4.5
147.11679	16.1
149.06042	2.1
149.09592	6.0
157.10115	11.1
163.11186	7.1
165.12758	7.7
171.06616	1.6
171.11658	1.6
175.11192	12.5
177.52112	1.6
181.12154	2.4
183.06499	2.4
189.11198	3.1
189.12766	3.3
191.10707	2.2
193.12242	62.6
205.12030	1.4
207.13907	1.6
209.11932	1.6
211.13289	100.0
212.13655	3.7
227.12817	3.9
229.14265	4.0
235.13321	7.6
249.14854	9.6
252.09375	2.9
252.59529	2.0
259.13333	2.7
267.12073	5.8
267.15881	5.9
273.14694	2.6
285.09973	2.3
285.16977	21.5
285.19910	2.7
301.14386	3.6
309.17163	2.9
313.16376	3.4
319.15439	2.7
351.18619	2.0
355.17584	3.5
375.18057	2.4
393.19067	2.8
411.20175	5.1
428.97238	1.9
429.21640	58.4
430.21518	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01869	7.2
55.05515	12.0
56.96556	6.3
57.03439	23.1
59.48509	2.0
59.71333	2.2
61.02917	5.0
67.05507	17.5
69.03430	35.8
69.07066	6.5
70.06582	6.6
71.01364	2.3
71.04996	10.1
72.08148	3.5
73.02898	6.8
79.05492	22.9
81.03418	100.0
81.07053	25.3
83.04986	21.9
83.08620	20.2
84.08168	2.4
85.02906	36.2
85.06526	3.0
86.09705	9.9
87.00838	5.1
91.05465	29.7
93.07043	19.1
95.04961	31.4
95.08609	8.4
97.02892	53.5
97.06526	2.9
97.10175	6.7
98.97576	8.1
99.03897	1.9
99.04426	11.1
101.02434	2.2
103.03931	5.4
105.01839	5.4
105.07027	20.7
107.04967	9.5
107.08602	11.4
109.02882	22.4
109.06498	5.8
109.10143	3.1
111.04435	7.6
111.08096	9.2
112.37856	2.3
116.98654	4.8
117.07030	6.5
119.08600	16.8
121.06496	4.2
121.10124	14.3
123.08045	6.3
125.09660	3.5
127.03912	27.8
128.98630	2.4
129.05482	4.4
129.07005	11.1
131.08545	12.7
133.06500	4.0
133.10118	10.8
135.11717	5.0
145.04976	5.8
145.10155	8.0
147.08081	6.2
147.11703	17.6
149.09659	6.1
157.10118	12.7
159.02908	5.2
159.08075	2.7
161.13289	2.4
163.11172	28.8
164.07019	2.3
165.12808	5.7
171.11682	3.0
175.11176	13.8
181.12265	7.3
184.06506	2.0
185.54140	2.2
189.12764	2.1
191.10771	3.0
193.12239	62.9
205.12166	2.9
211.13286	95.3
217.12257	3.0
223.13347	2.6
227.12860	4.4
229.14368	4.4
231.05057	3.5
231.13715	2.4
235.13228	2.3
237.02873	6.9
249.07939	2.6
249.14926	7.6
265.14355	2.8
267.09140	4.9
267.15964	5.0
285.17035	14.4
291.09091	2.8
309.10208	3.9
315.07401	3.4
333.08569	3.3
337.16281	2.6
355.17633	2.4
411.20209	5.6
429.16104	4.4
429.21198	84.3
435.32355	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11918	8.4
86.90925	4.7
94.92946	4.3
112.89592	4.1
114.89333	7.5
150.05484	10.2
155.88199	3.5
161.70273	3.4
190.89836	3.4
429.11530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43489	4.3
56.27362	4.8
62.78690	3.8
67.30421	4.0
70.78613	15.2
85.02899	6.9
87.51530	3.9
91.05782	6.3
103.10764	5.6
158.81134	3.9
166.40228	4.4
237.02802	9.2
248.04652	5.2
249.07655	6.0
357.97287	4.7
359.02612	5.3
429.11511	100.0
429.53583	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	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01866	5.1
55.05511	1.7
55.99886	0.8
56.96561	1.7
57.03433	4.6
61.02921	2.7
65.03944	0.9
67.01152	0.7
67.05506	2.1
68.99793	2.1
69.03428	22.2
69.07050	1.3
69.77229	3.7
69.77641	1.4
70.06586	6.1
71.04977	3.7
71.65151	0.7
72.08157	1.9
73.02922	4.6
79.05498	5.4
81.03416	23.0
81.07053	6.3
83.01373	0.9
83.04986	2.1
83.08596	0.7
84.08144	2.5
84.21250	1.0
85.02902	44.4
86.09696	3.6
87.00828	13.6
87.04478	1.1
91.03986	1.8
91.05448	5.7
93.07041	9.8
95.04967	15.1
95.08630	1.1
97.02891	13.9
97.06514	1.5
98.20889	1.0
98.97614	1.0
99.04449	7.1
102.05488	0.7
103.03947	2.3
105.01860	13.9
105.07021	8.7
107.04958	1.8
107.08589	10.5
109.02872	18.8
109.06510	2.6
110.07164	1.1
111.04477	0.9
115.03930	0.9
116.98621	1.9
117.01858	2.0
117.07010	3.9
119.08558	3.7
121.06517	3.2
121.10143	10.3
123.08056	1.6
125.05996	1.6
127.03909	36.6
129.01892	2.8
129.06973	1.1
130.07785	2.9
131.08641	1.3
133.06528	1.2
133.10126	1.1
134.99701	1.1
135.08061	1.3
135.11690	5.9
137.05981	2.6
137.09662	1.0
143.08577	0.8
145.04967	12.5
145.06203	0.9
145.06508	0.7
145.10121	11.6
147.02895	3.0
147.08002	1.7
149.06006	1.4
159.02890	12.9
161.09647	1.4
161.95886	0.8
163.11179	100.0
164.11586	2.3
165.09154	1.8
167.07048	3.2
175.11172	1.8
177.12964	0.8
181.12268	4.3
187.11177	0.9
189.03937	2.6
189.12730	1.2
193.12312	0.9
204.08714	0.8
205.12283	4.3
213.03928	1.9
223.13281	7.9
231.05011	7.5
243.17012	0.8
249.39337	0.9
267.15756	0.7
270.82529	0.8
271.13004	0.9
285.10062	0.9
289.14420	0.9
314.30405	0.8
341.14224	0.9
352.33142	0.9
393.15387	3.0
411.16376	1.0
429.14102	0.9
429.21585	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	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05506	7.6
56.05024	2.8
57.07060	3.9
58.02931	1.5
58.66933	1.8
60.04526	86.5
65.03999	1.4
66.46161	1.4
67.05511	18.5
69.07057	8.5
70.02914	1.6
71.08617	1.8
71.60936	3.0
72.04498	2.3
72.33692	1.4
74.69684	1.4
79.05495	10.7
80.04999	2.5
81.07056	14.6
82.06580	20.4
83.08614	6.3
85.02910	2.6
91.05476	7.0
93.07040	19.9
94.06558	24.1
95.04971	19.4
95.08620	9.0
96.08121	3.7
97.06507	2.2
97.10201	2.6
98.09687	4.1
100.07613	1.8
103.05457	3.1
107.50088	1.5
108.08120	4.4
109.06513	4.5
110.06060	3.3
110.09689	13.3
111.08103	3.6
111.11657	1.6
112.07593	3.7
113.00042	1.8
115.29130	1.3
120.08086	7.9
121.06514	8.5
121.10158	1.5
124.53214	1.6
126.09143	10.3
138.09131	54.9
139.07491	8.5
145.10124	2.1
149.02371	1.9
154.08510	1.6
156.10191	32.4
166.77815	1.6
169.02617	2.2
174.11206	12.7
213.05528	1.6
251.75061	1.6
272.25903	2.6
314.27023	2.1
321.46893	1.7
380.32043	2.0
392.31656	2.9
410.32642	37.9
411.33035	1.9
428.33722	100.0
429.19183	5.6
429.33740	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	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.8
56.05023	11.5
56.96564	10.8
57.03427	9.7
60.04502	13.9
61.02925	8.5
64.77275	6.0
67.05507	14.3
69.03408	24.5
69.07074	10.4
70.06590	85.6
71.04978	27.6
72.08133	22.8
74.06071	6.2
79.05482	7.8
81.03414	10.8
84.04478	22.1
84.08133	30.5
85.02910	38.7
85.06538	95.5
86.09695	25.5
87.00830	9.8
87.05566	10.2
97.02896	19.4
98.97564	7.8
99.72610	7.1
101.07151	8.4
102.05525	7.0
103.03937	24.3
104.31732	7.0
105.01916	8.9
109.02874	15.2
110.07180	9.5
113.06017	10.1
116.07101	8.3
116.98611	16.3
119.04915	9.4
123.04424	8.8
127.03879	17.9
127.07557	67.6
129.10216	9.0
130.06543	9.0
133.02881	11.4
134.48460	7.0
145.08594	100.0
147.04395	11.7
148.07594	7.6
163.03899	8.0
163.09691	42.8
176.33794	7.4
177.46986	7.7
179.03377	83.6
180.03748	83.1
182.05208	6.4
203.12787	9.2
206.08025	10.4
215.13847	13.7
217.64140	6.9
226.04645	6.6
237.02939	11.8
365.05219	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	427.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05517	2.6
56.96532	0.4
57.07042	1.2
62.96693	0.4
67.05496	4.8
69.03421	0.6
69.07062	3.1
71.04957	0.5
71.59972	0.7
73.99958	0.4
77.03895	0.5
79.05492	4.5
81.07057	13.7
83.04974	0.5
83.08618	2.2
88.80342	0.4
91.05485	3.4
93.07048	8.2
95.04939	1.0
95.08054	0.6
95.08606	9.1
97.06492	1.2
97.10146	0.6
98.68182	0.4
105.07040	4.4
107.07870	0.6
107.08590	10.6
109.06526	0.8
109.10162	4.8
112.39513	0.5
113.09631	1.0
117.06958	1.4
119.08575	4.2
121.06493	1.1
121.10133	4.9
123.08002	0.6
123.11633	1.2
125.05961	0.5
127.26195	0.4
129.06935	1.1
131.08563	2.7
133.06454	1.0
133.10127	5.3
135.07996	1.7
135.11690	8.8
137.13278	2.1
143.08604	2.4
145.06485	0.7
145.10107	5.2
147.08029	1.1
147.11682	3.8
149.09569	0.9
149.13231	1.0
155.08493	1.7
157.10159	3.0
159.08029	0.9
159.11691	2.6
160.08780	0.5
161.09634	4.0
161.13225	1.1
163.11208	1.0
163.14844	3.9
165.12686	0.5
169.10118	1.2
171.11670	2.7
173.09607	8.0
173.13211	1.7
175.11214	7.0
175.14787	0.6
179.10637	0.5
181.10103	0.6
183.11688	2.2
185.09601	0.4
185.13217	1.6
187.11159	1.7
187.14714	0.9
189.12669	1.2
191.10666	7.5
195.11646	1.4
197.13202	2.0
199.11145	1.4
199.14836	1.7
201.12737	1.7
201.16418	0.6
203.12653	1.1
209.13300	2.0
211.14725	1.8
213.12804	0.9
213.16393	1.4
215.14294	1.3
217.15921	0.6
219.13760	0.8
223.14825	2.4
224.15599	0.5
225.16429	0.7
227.14264	1.4
229.15836	0.8
229.19537	0.5
233.15327	0.9
237.16310	1.7
239.17921	1.5
241.15839	1.2
247.16972	1.2
251.17934	0.6
255.17477	0.9
257.18817	1.0
259.16971	6.2
269.19052	0.5
269.22559	1.1
279.21054	4.4
285.18420	1.3
287.19943	0.7
297.22171	8.8
298.22565	0.6
315.23184	100.0
316.23486	6.3
427.32101	29.7
428.32593	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01868	5.8
55.05257	1.9
55.05507	25.3
57.03433	3.0
65.03936	1.7
67.05503	42.0
69.03436	3.2
69.07066	18.7
71.04598	1.5
71.04984	27.1
71.10777	2.9
73.06548	1.3
73.84188	1.4
79.05061	2.0
79.05493	31.7
81.03402	7.5
81.07052	85.4
83.04976	40.3
83.08620	16.1
85.06537	9.1
87.04470	2.8
87.98762	1.1
91.05479	23.1
93.07041	46.3
95.04964	5.0
95.08604	38.0
97.06526	36.8
97.10168	15.3
98.20704	1.2
99.08087	4.1
105.07024	18.8
107.04986	1.2
107.08584	23.6
109.06505	4.6
109.10136	8.6
111.08085	5.4
115.07568	1.5
117.07018	10.7
119.08573	13.0
121.06503	4.6
121.10145	14.3
123.08087	3.4
123.11708	4.6
125.09609	9.4
127.07511	1.7
129.06952	1.3
131.08553	10.8
133.10127	13.4
135.08009	6.0
135.11668	17.0
137.13226	2.0
139.11186	2.1
147.11679	13.1
149.09648	3.6
149.13255	16.2
157.10141	2.2
159.11679	15.0
161.13260	11.5
165.12767	7.8
167.14336	2.4
176.04524	1.1
177.12749	17.7
179.14325	5.3
189.11273	1.5
195.13795	100.0
197.15395	1.3
199.65244	1.2
203.12794	2.2
213.14847	79.3
308.63394	1.2
373.27563	2.7
391.28473	6.1
409.29510	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	427.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32388	0.2
63.88419	0.2
69.86111	1.4
81.07047	0.4
90.07954	0.2
95.08592	0.3
96.07439	0.2
98.20791	0.3
105.80834	0.3
108.79282	0.3
108.80170	0.3
119.04957	0.3
147.04424	0.8
159.11635	0.3
171.51683	0.2
182.76643	0.2
182.79485	0.2
203.12761	0.3
271.13882	0.3
301.29919	0.3
312.20111	0.3
327.33038	0.3
367.17786	0.3
409.98691	0.3
427.26685	100.0
428.16943	1.9
428.26950	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	427.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67843	0.4
58.57135	0.4
58.99615	0.4
64.93604	0.4
69.51052	3.8
91.05483	1.0
119.04938	1.0
147.04401	1.3
159.84892	0.4
162.26701	0.4
187.08725	0.4
203.12756	0.6
214.70596	0.5
233.56627	0.5
237.07680	0.5
238.07922	0.6
242.92488	0.4
268.85507	0.4
398.43381	0.4
427.26682	100.0
428.16611	0.7
428.27008	2.7
432.72858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71586	0.4
55.05520	0.5
56.05040	0.4
57.07063	0.5
69.07065	6.4
69.58009	2.1
69.58424	1.0
73.06568	1.6
84.08134	0.4
86.09705	100.0
87.10043	1.0
89.45129	0.4
92.28109	0.3
96.75746	0.4
112.07610	1.1
168.13857	1.5
182.32649	0.4
186.14886	71.9
187.15187	1.0
196.54327	0.4
214.14377	30.8
215.14828	0.6
228.65683	0.4
234.19850	0.4
258.17572	0.5
299.23251	0.4
314.19601	11.2
315.20023	0.7
327.22675	0.6
349.11606	0.4
399.23691	0.6
399.28485	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15855	2.5
53.03929	3.5
55.01863	4.8
55.05510	27.8
56.96552	4.5
60.46861	2.2
67.05503	40.9
69.03403	3.3
69.07070	19.4
69.57686	2.8
71.04988	15.9
71.59709	3.1
74.23854	2.3
79.05484	27.8
81.07053	81.7
83.04964	16.6
83.08609	21.2
85.06536	8.2
87.04444	3.2
91.05048	2.7
91.05488	27.0
91.49364	2.7
93.07042	41.9
95.04959	6.2
95.08603	80.6
97.06522	39.1
97.10162	13.2
99.08086	7.2
105.07029	31.6
105.55653	2.7
107.08592	23.1
109.06530	3.4
109.10149	11.1
111.08080	7.3
117.06992	5.1
119.08564	39.2
121.10133	19.6
123.08036	4.8
125.09640	6.3
131.08563	4.7
133.10127	26.9
135.11674	21.4
137.09537	3.4
137.13235	14.2
143.08522	3.7
147.08194	2.6
147.11702	4.5
149.13237	11.3
159.10442	2.5
159.11678	11.3
161.13249	60.4
165.76935	2.6
167.14308	12.1
172.94257	4.2
177.12735	16.3
179.14293	33.7
189.11194	3.0
190.95296	9.0
195.13799	48.4
203.12804	5.0
213.14838	100.0
231.15851	5.4
341.12949	5.9
359.14395	2.9
373.27374	5.1
391.28305	10.3
409.29730	12.2
427.28830	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01865	4.4
55.05508	22.1
57.03432	6.0
57.07078	1.6
59.04999	6.1
61.02919	6.0
61.21641	1.7
67.05489	6.7
69.03429	24.9
69.07066	10.2
70.25636	5.5
71.04991	4.1
73.02920	2.8
79.05486	6.9
81.03419	8.2
81.07051	12.1
83.04981	28.8
83.08619	4.6
85.02902	52.8
85.06544	3.0
86.09716	1.8
87.04465	3.2
91.03946	2.6
91.05484	9.2
93.07034	13.0
95.04968	33.2
95.08607	9.8
97.02887	15.0
97.06506	5.8
97.10170	1.4
98.06821	1.5
99.04456	3.0
101.02367	1.1
101.06010	17.5
102.95250	1.1
105.07026	13.4
107.04971	1.5
107.08592	14.8
109.02895	7.2
109.06513	9.9
109.10144	9.6
111.04420	1.7
111.08083	2.8
117.07020	4.4
119.04950	2.2
119.08581	10.5
121.06490	3.0
121.10130	13.3
123.08077	3.5
123.11724	5.1
125.06033	1.4
127.03909	10.5
128.06233	2.1
130.07803	1.7
131.08562	12.1
133.10121	7.4
133.86293	1.2
135.08063	10.2
135.11681	10.1
137.09631	2.6
139.11163	2.0
143.06964	1.2
143.08575	6.8
145.04970	4.6
145.06477	1.4
145.10127	23.1
147.11685	11.7
149.06091	1.1
149.09593	6.5
151.07545	2.9
157.10126	2.7
159.08029	5.9
159.11722	4.6
161.09642	4.9
161.13257	3.3
163.03885	2.3
163.11171	9.5
165.12744	76.4
171.11688	3.8
173.09631	4.7
173.13237	13.3
175.14760	2.3
177.07828	1.3
177.09058	7.4
177.16507	1.1
183.11679	1.7
184.30190	1.3
185.13231	1.6
187.14851	5.1
189.12769	5.6
191.10641	8.1
191.14412	1.4
201.12761	1.8
203.12762	2.7
205.15843	7.3
211.14824	2.5
219.13863	7.6
229.15900	5.3
247.16919	44.6
259.09839	2.1
260.10092	2.4
265.17975	100.0
296.98923	1.3
409.22385	1.4
427.23312	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	427.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.01857	5.2
55.05515	28.0
56.96554	7.7
57.03421	3.9
67.05505	48.8
69.03435	43.8
69.07064	17.8
69.47189	15.4
69.47618	10.1
70.06577	8.0
71.04994	13.5
71.08633	3.6
73.02927	4.7
79.05499	42.3
81.03417	100.0
81.07054	67.4
82.11854	3.0
83.04982	42.5
83.08627	15.2
85.02901	18.3
85.06536	7.2
87.04474	4.3
91.05475	38.8
93.07037	48.3
94.07378	3.4
95.01352	3.1
95.04975	21.0
95.08605	53.6
97.02895	14.5
97.06534	24.6
97.10167	8.6
98.97579	12.4
99.04455	6.3
103.05441	4.3
105.07040	36.5
107.04952	7.8
107.08595	31.5
109.02875	16.2
109.06521	21.2
109.10157	35.8
111.04449	5.5
111.08063	6.6
113.05984	3.2
116.07050	5.9
116.98591	11.6
117.07002	15.0
119.04896	3.6
119.08585	34.4
120.08089	5.0
121.06491	14.3
121.10155	25.7
123.04397	6.3
123.08044	9.7
123.11701	9.4
125.09623	6.9
127.03901	31.9
128.98619	2.8
129.06990	6.1
131.08582	16.5
133.06454	8.2
133.10139	22.2
134.99699	4.8
135.08047	9.7
135.11713	13.6
137.05988	7.4
137.09602	3.6
139.11174	3.8
141.06912	3.4
142.07796	3.8
143.00198	3.1
143.08554	6.6
145.06563	3.4
145.10126	11.0
146.99565	4.4
147.04391	4.9
147.08008	5.4
147.11697	19.0
149.05957	6.8
149.09662	3.8
149.13210	7.2
151.07539	89.3
152.07880	3.9
155.08485	3.8
155.10597	3.1
157.10097	9.2
157.81413	2.6
159.02957	3.7
159.08113	4.9
159.11708	9.3
161.01189	6.1
161.09616	4.5
161.13271	15.9
163.07544	3.6
163.14752	3.2
170.99716	7.1
171.07983	3.6
171.11644	9.2
173.09492	3.2
173.11734	19.6
173.13246	9.4
175.07579	5.1
175.11121	3.7
175.14839	7.0
175.55258	3.2
177.00722	6.3
177.16374	4.9
179.14288	5.8
183.11790	4.6
187.14839	5.2
189.00710	4.6
189.12648	3.9
189.16270	4.2
191.14293	4.4
192.51971	3.0
195.13719	2.8
201.16429	3.7
203.12787	10.6
203.17900	5.3
207.03432	4.3
207.13828	10.3
209.15364	7.4
213.03947	6.1
219.01738	12.1
219.13789	5.9
221.15466	3.5
223.16989	3.7
225.14806	12.7
237.00763	3.2
237.02815	14.7
237.14853	25.4
238.03166	4.6
249.14717	4.2
251.16449	7.8
263.16226	3.1
266.56186	2.9
277.18018	5.3
279.03772	15.7
287.16415	19.3
305.17450	36.0
313.30099	3.1
323.18597	9.7
333.90372	3.4
335.02808	25.2
336.03143	15.2
365.19516	34.0
391.17480	8.3
409.18585	48.6
409.35095	3.2
427.19299	9.1
427.25607	8.9
427.35767	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	427.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54783	1.0
50.82835	0.9
52.98177	1.1
53.58886	1.0
55.05502	1.9
56.05839	1.2
56.96569	9.1
57.03406	1.4
61.02936	1.5
67.05508	2.1
69.03427	2.3
69.07051	1.5
69.65279	8.4
70.06575	3.7
71.08588	1.2
72.08147	1.5
81.03405	1.7
81.07071	2.1
83.08596	1.4
83.43059	1.1
84.96032	1.4
85.02898	5.0
85.06484	1.1
86.06096	1.2
86.09694	2.7
91.05455	2.6
93.07009	1.8
95.04965	1.6
95.08582	1.3
97.02856	1.7
97.06528	1.7
98.97588	13.1
105.07022	2.6
107.08588	1.7
110.07142	5.2
111.07467	2.1
111.49851	1.1
116.91020	1.2
116.98618	12.5
119.08597	1.8
120.08100	14.7
121.10133	2.7
127.03912	2.6
128.98645	5.6
129.10176	1.2
133.10094	5.8
134.46751	1.2
134.99634	7.5
146.99594	5.1
155.07309	1.2
156.07634	2.1
158.99660	1.9
161.01157	1.9
161.09572	1.6
165.00735	1.7
177.00662	3.5
191.14278	1.3
195.03279	1.2
199.06450	2.1
203.12761	2.3
213.52171	1.3
219.01659	4.4
223.06390	1.5
237.02794	10.6
239.09427	1.6
247.16884	2.2
265.10837	3.6
267.14935	2.7
281.10510	1.7
283.12146	4.1
307.12018	3.8
325.13327	2.8
401.14258	1.2
409.14731	2.1
419.88531	1.7
427.17203	100.0
428.17029	2.3
445.17426	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.194
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
55.01875	0.3
55.05502	0.4
56.96567	0.6
69.03419	0.7
69.07068	0.4
69.28106	0.8
69.28521	1.8
69.90207	0.3
70.06593	1.4
71.04997	0.4
72.08159	0.5
79.05482	0.6
81.03421	0.5
81.07056	0.6
83.04977	0.4
84.08139	0.7
85.02908	1.1
86.09718	1.3
91.05486	0.4
93.07055	0.5
95.04958	0.4
95.08604	0.5
97.02880	0.7
97.06529	0.5
98.97590	0.9
99.04424	0.3
105.07040	0.6
107.08552	0.3
113.89550	0.2
116.98603	0.7
119.08579	0.6
120.08096	0.9
121.06515	0.4
121.10139	0.8
123.08007	0.4
127.03914	0.3
129.10216	0.4
131.04910	0.3
131.08620	0.3
133.10115	0.3
134.99695	0.4
136.06194	0.9
137.05998	0.5
139.11185	0.3
147.11703	0.6
160.24084	0.3
177.00766	0.4
179.03473	0.4
203.12813	0.8
205.45482	0.2
233.73668	0.3
239.28581	0.2
259.09607	0.4
265.10651	0.4
265.14178	2.2
286.17368	0.7
427.19409	100.0
428.14746	0.4
428.19873	5.0
428.25433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47465	1.1
55.05502	1.8
56.05017	1.2
56.96565	3.0
58.06577	1.4
61.02905	1.2
67.05475	1.7
69.03410	3.1
69.07047	3.3
70.06241	1.3
70.06592	12.4
72.08154	5.7
79.05470	2.5
81.03410	2.1
81.07036	3.2
82.24864	1.1
84.04487	2.3
84.08120	4.0
85.02910	5.8
86.09705	9.3
87.04467	2.3
91.05449	4.0
93.07043	2.8
95.04957	1.5
95.08621	1.1
97.02872	2.9
97.68127	1.1
99.15997	1.1
103.05461	1.5
104.10700	1.3
105.07032	2.2
107.08611	1.6
116.07128	2.7
119.01878	1.8
119.08569	3.5
120.08091	4.0
127.03887	2.8
131.08618	1.7
133.10124	2.3
134.99657	1.6
135.08167	1.2
136.07610	1.7
137.05971	4.5
140.40421	1.2
141.06982	1.7
145.04890	1.2
147.04381	3.5
148.04826	1.9
155.08487	1.8
161.06029	1.9
163.03819	1.5
165.06969	3.5
173.13174	1.2
179.03386	2.0
179.07042	2.4
183.08054	1.4
185.04216	21.8
185.16464	1.9
191.06952	1.6
195.07745	1.2
197.10141	3.5
203.12724	3.3
210.06953	1.1
211.07494	4.5
215.14069	1.3
219.01907	1.2
221.10156	1.6
228.96262	1.2
229.15565	1.2
231.17149	1.6
239.11169	2.0
241.09261	3.2
245.04996	3.5
247.13281	5.2
263.05997	1.9
265.10498	100.0
266.10770	1.8
283.10190	5.4
297.12201	1.6
307.10214	2.0
367.12253	1.8
369.09680	7.4
427.15686	80.0
428.16446	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.4
57.04539	0.4
66.80996	0.2
69.03413	0.5
70.06569	1.1
84.04506	0.5
84.08135	0.3
85.02901	0.4
94.04081	1.4
96.05544	0.3
98.97567	0.5
116.07071	0.3
116.98644	0.4
119.03574	0.3
121.10067	0.3
121.50684	0.2
123.04383	0.4
123.06669	0.9
127.03884	0.3
148.06140	0.3
150.07753	100.0
151.08060	0.8
179.03435	1.2
193.41972	0.2
203.12784	0.6
237.02879	0.3
265.07446	0.2
282.12070	0.9
283.08539	0.6
295.11505	19.2
298.00580	0.2
301.06024	0.4
425.28613	0.2
427.19470	15.0
444.76135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1366
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
56.03295	0.7
56.96563	18.6
56.96836	1.5
57.03436	0.9
63.27810	0.7
69.03406	1.7
69.07057	1.0
70.06562	2.5
71.60296	1.1
74.97610	0.7
81.03397	1.7
81.07025	1.7
84.04520	0.9
84.08142	1.6
84.96039	1.0
85.02882	2.3
85.06567	0.8
86.09701	0.9
93.07033	0.8
95.04958	0.8
95.08585	0.8
97.02884	1.9
98.97579	13.8
105.07026	1.3
110.97580	1.7
116.98619	10.3
117.07012	0.9
127.03880	1.4
128.98602	3.8
131.00197	0.9
133.02829	1.1
133.08626	0.8
134.99660	6.0
137.05956	2.4
139.00670	3.3
141.02196	1.0
143.00179	0.9
145.01729	1.0
146.99611	4.1
157.01733	6.0
158.99660	2.0
159.03229	1.6
161.01202	2.9
165.00774	0.9
169.01700	1.4
170.99626	1.0
173.01166	0.9
175.02692	2.1
175.04179	0.7
177.00681	2.6
179.03410	7.0
181.01656	0.9
183.03264	1.1
189.00667	1.0
193.05391	7.6
195.03275	1.9
197.04861	1.3
199.02728	1.4
203.03767	1.4
203.12744	1.4
205.05362	6.1
207.03233	2.2
209.04800	1.9
211.06422	19.6
219.01733	4.5
221.04890	6.1
223.06422	52.4
224.06712	1.5
225.04353	5.4
229.07407	2.6
237.02719	12.9
239.05872	2.4
241.05118	1.5
241.07472	22.5
243.05380	1.5
246.07997	1.6
247.06421	9.9
253.07484	1.1
255.03783	0.8
264.09033	0.8
265.07507	18.5
265.10275	1.5
271.08325	1.0
277.07513	1.2
279.08960	1.1
283.08505	23.5
293.07104	0.9
301.09686	1.8
305.02960	0.8
307.08524	3.3
325.09610	1.3
367.10651	58.0
368.10889	1.7
385.11630	3.0
427.12909	100.0
427.18710	4.5
428.13129	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	427.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02232	0.1
51.02386	0.2
53.03937	0.7
55.01857	0.5
55.62342	0.2
56.96560	0.7
57.03421	0.2
61.02909	0.3
62.95385	0.2
67.05489	0.2
68.99782	0.3
69.03428	1.6
69.78063	1.1
70.06574	0.7
71.04982	0.4
72.08159	0.2
73.02927	0.2
77.03934	0.2
77.71155	0.1
81.03056	0.2
81.03422	1.8
83.04966	0.2
84.08118	0.2
85.02905	3.2
86.09695	0.3
87.00832	1.2
89.03896	0.5
91.05470	0.4
93.07044	0.2
95.04967	0.4
97.02897	1.5
98.97599	0.9
99.04462	0.7
105.01855	1.0
105.03378	0.5
105.07003	0.3
107.04929	0.2
109.02870	2.5
116.98608	0.7
117.03378	0.3
119.08535	0.2
123.04423	9.7
127.03913	3.3
128.98506	0.2
129.01831	0.3
133.02852	8.6
134.99675	0.3
135.04404	1.4
137.05949	0.6
145.04955	1.0
151.03905	3.8
159.02858	1.0
159.08058	0.2
167.07030	0.2
177.00742	0.2
179.03389	100.0
180.03717	1.4
191.91386	0.2
193.05309	0.3
203.12753	0.3
211.06319	0.4
213.04041	0.4
219.01669	0.3
221.04944	0.2
223.06444	1.4
231.04968	0.6
237.02798	0.5
241.07518	0.5
247.06502	0.3
265.07385	0.7
265.15363	0.2
273.24677	0.2
283.08517	1.1
367.10614	1.8
427.12903	3.4
427.19266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64394	4.0
53.03938	5.4
55.01881	7.7
55.05498	20.1
56.05045	4.6
57.03442	7.6
57.07057	15.5
63.24110	4.5
67.05486	13.2
68.99801	5.3
69.03434	35.0
69.07072	100.0
69.49828	43.1
70.06591	15.5
71.04979	7.5
72.08160	8.0
79.05485	6.1
81.03407	19.8
81.07028	6.0
83.08620	45.5
85.02914	80.6
86.09705	12.6
87.00832	33.8
87.04527	4.7
91.03878	5.0
91.05503	8.3
93.07079	5.7
95.08608	5.8
97.02888	29.8
97.06510	7.1
99.04443	8.7
101.29346	4.3
105.01860	39.7
107.04984	6.2
109.02866	32.0
119.08620	5.1
120.08073	33.7
123.11665	4.8
125.13264	27.8
127.03913	70.7
137.06013	4.6
143.14316	63.8
145.04990	17.6
159.02795	9.1
159.08127	6.3
160.08440	6.1
161.15361	18.9
174.10356	10.3
175.10785	9.5
184.07291	6.5
211.90933	5.6
213.03954	5.3
213.94679	4.6
229.14357	8.3
231.05032	25.1
234.12305	5.5
249.06396	4.7
250.30968	6.0
264.12839	6.2
285.17038	4.6
350.85919	5.3
427.16049	11.0
452.60919	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	426.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36314	0.9
55.05505	1.6
57.03416	3.7
57.06819	1.5
57.07074	19.8
62.06087	21.6
67.05494	4.6
69.07050	3.6
70.33644	2.2
70.34045	3.3
71.04969	1.0
71.08627	12.5
81.07049	8.6
83.08624	1.6
85.10182	7.6
89.05996	1.1
89.85844	0.9
92.63520	0.9
95.08607	9.9
97.10164	1.3
98.98463	4.8
103.07576	1.1
109.10136	3.7
111.25252	1.1
112.60444	1.0
123.11666	2.2
142.02669	1.1
155.01022	6.2
211.20532	2.0
214.17853	1.1
216.06306	2.7
254.24745	8.6
285.24219	100.0
286.24460	3.2
365.20847	4.9
408.25168	2.2
426.16464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.5
55.05500	3.4
67.05485	4.3
69.03424	8.7
69.07053	4.4
70.06582	5.1
71.04980	3.0
71.59987	3.7
79.05489	7.8
81.03406	4.9
81.07047	8.3
85.02920	15.0
86.09705	5.3
86.91505	2.3
91.05463	11.3
93.07040	7.2
95.04967	3.2
95.08605	6.3
95.27782	2.2
97.02901	3.8
97.06535	3.5
103.05444	3.7
105.07029	26.9
107.08602	6.5
109.10157	3.7
109.22300	1.9
115.05466	4.6
117.07011	6.7
119.08595	10.0
120.08119	20.6
121.06517	4.9
121.10143	3.0
123.71085	2.2
127.03949	4.7
128.06230	6.7
129.07011	14.9
131.08557	15.0
134.04526	2.5
137.06013	3.2
141.06995	16.2
142.07796	12.5
143.08548	17.7
143.21428	2.0
145.05034	2.5
145.06491	3.1
145.10098	8.3
147.11684	7.9
149.05908	3.7
153.06993	6.1
155.08565	32.1
157.10117	33.4
159.11699	18.2
160.12398	2.3
161.13231	7.9
163.03807	3.0
165.07033	3.4
166.07750	2.1
167.08456	3.0
168.09341	20.9
169.10056	2.6
173.05984	2.7
173.13184	4.1
175.24469	2.2
178.07703	3.5
181.06374	3.0
181.10155	12.9
182.10397	3.7
183.08183	2.8
183.11699	69.4
184.12071	2.8
185.13330	4.9
187.07532	5.8
193.10133	19.0
196.08833	3.3
201.09117	7.6
201.12762	12.6
211.11145	28.8
212.11632	2.2
214.67371	2.2
229.12233	100.0
230.12547	3.6
233.16441	3.9
235.09378	2.5
247.13266	34.8
265.14346	11.4
267.15005	3.5
361.04025	4.5
408.33563	2.4
426.34344	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	426.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.96548	1.7
67.05492	0.9
69.03384	0.6
70.06575	2.5
70.37731	1.1
70.38116	0.8
79.05455	0.7
79.87460	0.5
81.07047	1.7
88.20950	0.6
91.05470	0.9
93.07024	1.6
95.08597	1.8
100.11182	0.9
105.06988	1.1
107.08589	1.6
109.10178	1.1
116.07047	0.6
119.08560	1.1
121.10107	1.3
123.08099	0.6
131.08548	0.5
133.10144	1.3
149.09494	0.7
177.16440	0.8
192.98041	1.1
209.01112	0.8
210.99136	3.2
225.00803	0.8
227.02191	0.6
229.00218	0.9
243.01849	0.6
251.02187	0.8
275.02341	0.8
305.03275	0.7
315.01773	1.1
324.99991	7.5
333.02896	0.8
343.01239	10.3
361.02301	100.0
362.02692	1.4
366.02713	1.5
379.03372	46.4
379.99963	1.7
380.99255	0.8
384.03906	7.8
402.05011	0.7
403.03629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
56.05037	11.5
56.96551	3.5
60.04513	1.9
67.05493	2.4
69.03427	2.5
69.07059	3.0
70.06593	2.0
71.60033	1.6
73.02931	2.2
76.02175	1.9
79.05488	5.4
81.07050	5.8
83.04998	2.8
83.08609	4.0
84.04504	41.0
85.02898	2.9
86.09693	2.1
88.02189	1.7
88.03983	9.1
91.05480	6.4
93.07046	3.8
95.04955	1.8
95.08624	1.7
97.06535	20.6
98.09636	1.4
100.07607	2.2
100.11259	11.3
105.07034	5.3
109.10116	1.9
111.04449	2.8
112.08606	1.4
113.44372	1.4
117.07019	7.8
119.08570	6.2
120.08076	2.7
122.02722	2.2
126.12819	2.0
128.06175	2.0
128.07062	3.4
129.06982	4.4
130.05005	100.0
131.08575	8.4
133.06386	1.7
134.03636	3.0
142.07735	2.7
143.08565	13.4
144.13821	2.1
145.10130	13.7
147.02650	1.8
147.11691	2.3
155.07042	5.5
155.08534	2.6
156.09259	2.5
161.02458	1.5
163.03889	7.8
169.10051	2.2
171.11708	17.9
173.02359	5.4
173.13280	16.0
177.12549	3.0
181.10138	3.2
182.15416	7.2
189.11256	1.3
199.11172	13.3
203.08795	1.7
209.16568	1.4
210.14903	10.5
215.07001	4.2
217.12210	10.5
227.10605	3.3
228.16010	1.9
233.10010	2.1
259.09665	21.9
265.46381	1.4
304.20688	2.1
353.76059	5.7
366.68362	1.7
380.14572	1.9
417.29175	1.7
427.13705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.80149	2.0
55.05503	16.8
57.07072	3.5
57.91220	1.9
58.32396	1.9
61.15564	1.9
67.05505	26.9
69.07069	33.3
69.68110	8.4
69.68538	6.5
71.08619	2.0
74.17999	2.1
76.93717	1.8
78.47309	1.8
79.05487	17.4
79.30755	1.8
81.07057	60.0
83.08618	11.9
85.10198	2.2
91.05479	18.5
93.07040	48.4
95.04932	3.0
95.08604	100.0
97.10162	11.7
98.21500	3.6
105.07032	42.9
107.08591	77.9
108.67976	2.0
109.10152	63.5
111.08064	2.9
111.11677	2.6
117.06985	4.0
118.17595	1.8
119.07864	1.4
119.08570	51.0
121.10143	54.5
123.11698	27.3
125.09585	3.6
125.77864	1.8
126.67382	2.2
131.08563	6.7
133.10121	31.5
135.11670	37.8
137.13254	14.9
145.10115	8.2
147.11684	32.2
149.13240	39.8
159.11688	12.6
161.13243	33.5
163.14822	27.6
165.12695	2.4
173.13245	8.4
175.14806	21.3
177.16399	20.6
179.14345	5.9
179.18073	2.1
187.14830	10.7
189.16377	21.3
191.17949	58.4
201.16483	9.6
203.06961	2.2
203.09550	2.1
203.17963	35.0
205.19562	15.0
207.17366	3.4
213.16316	2.7
215.17970	12.5
217.19510	56.3
221.18965	5.5
227.18037	2.8
229.19475	11.2
231.21028	6.3
233.19017	6.3
235.20535	10.3
240.82292	2.4
245.22614	10.6
247.20523	5.5
269.22650	4.0
275.23593	2.2
283.24023	2.8
287.23636	2.3
367.99673	2.0
407.36588	17.1
416.42169	2.2
425.21548	3.1
425.37955	40.5
434.94666	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23709	1.9
50.32062	2.0
53.03948	5.0
54.58329	2.0
55.01851	4.3
55.05510	27.4
57.03434	5.0
57.07061	9.7
67.05505	74.6
69.03427	7.5
69.07070	53.0
69.70164	14.7
71.04990	14.2
71.08626	6.2
71.49764	1.9
71.58264	2.0
73.02907	5.5
74.37248	2.2
79.05494	33.8
81.03416	6.3
81.06572	5.1
81.07056	100.0
82.07364	3.5
83.04979	2.5
83.08614	24.1
85.06541	33.3
85.07021	3.9
91.05475	18.6
93.07045	37.2
95.04954	3.7
95.08603	89.8
97.02888	53.4
97.06519	10.6
97.10158	10.8
99.04462	28.6
99.08103	5.5
101.06904	2.0
105.07029	29.2
107.08591	41.3
109.02881	6.7
109.06522	4.4
109.10156	61.7
111.08103	3.8
111.11738	6.4
113.09622	3.7
115.59413	2.2
117.03745	2.1
117.07000	5.5
119.08584	34.9
121.10124	29.9
123.08043	2.3
123.11701	33.6
125.09664	2.2
127.03921	19.1
127.11172	3.0
129.07034	2.5
130.07793	2.0
131.08562	10.5
133.10136	30.0
135.11708	26.1
137.09641	4.5
137.13255	11.8
139.11163	5.5
143.08553	7.0
145.04929	5.4
145.10149	20.8
147.11685	22.4
149.13268	17.9
151.14784	3.8
153.12737	4.2
157.10150	8.7
159.11674	17.6
161.13246	16.8
163.14827	10.4
171.11661	5.8
173.13239	11.3
175.14838	11.1
177.16418	5.4
179.14322	3.3
185.13289	6.7
187.14819	7.7
189.16379	5.5
191.17944	3.2
193.15913	2.8
197.13278	5.7
199.14830	7.3
201.16376	11.7
203.17960	9.5
207.17424	2.4
211.14751	2.6
213.16351	7.2
215.17952	9.1
217.19420	7.1
227.17914	2.9
229.19431	6.9
231.21095	4.0
241.19499	5.4
243.21063	4.7
245.22601	8.2
247.20490	4.0
255.21040	3.5
257.22672	3.4
259.20633	3.6
263.23721	13.9
269.22580	2.8
271.24033	3.5
283.24213	3.1
292.93423	2.3
297.25900	4.9
309.17694	2.8
315.26733	3.5
418.06055	2.3
425.38239	46.4
426.38174	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.55923	2.9
55.05507	19.5
57.07072	7.3
65.89532	2.6
67.05502	32.9
69.07065	30.9
70.73576	6.0
70.73969	5.7
79.05482	16.8
81.07062	59.9
83.08611	17.0
85.06507	3.2
91.05463	13.9
93.07038	46.3
95.08609	100.0
97.10147	9.9
105.07026	30.2
107.08594	73.2
109.09446	5.6
109.10152	66.4
111.11707	8.6
114.53225	3.1
119.08578	48.2
121.10140	54.9
123.08025	3.5
123.11713	31.1
131.08553	5.1
133.10130	46.9
135.11679	44.3
137.13223	21.2
145.10110	13.2
147.11691	40.4
149.13254	26.7
151.14780	5.3
159.11682	14.1
161.13278	39.8
163.14827	31.3
171.11705	3.1
173.13260	10.8
175.14810	14.0
177.16385	14.1
179.14284	17.2
187.14812	10.2
189.16379	21.5
191.17949	34.8
201.16362	15.8
203.17972	35.5
203.99115	3.0
205.19542	5.3
207.17383	9.0
215.17944	10.2
217.19463	42.5
229.12239	3.7
245.22609	9.7
257.22705	5.3
259.24017	5.1
271.24176	7.8
289.83414	3.2
292.51239	3.2
296.99951	3.5
337.28851	4.9
407.36914	23.5
425.38135	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03939	3.1
55.05508	20.1
57.07069	8.9
65.66705	2.4
67.05508	30.3
69.07065	42.0
69.94617	17.1
71.04970	2.4
71.08648	3.4
73.38883	2.8
76.97215	2.5
79.05486	14.4
81.07053	54.9
83.08615	23.3
85.06538	3.9
91.05480	30.9
93.07046	54.3
94.81875	3.1
95.04982	4.7
95.08605	100.0
97.06527	7.2
97.10173	13.3
105.07022	52.9
107.07865	4.7
107.08589	82.8
108.08882	2.7
109.06496	5.0
109.10155	78.7
111.08086	20.8
111.11724	11.6
119.08580	80.1
121.10130	57.1
123.11708	46.1
131.08572	8.0
133.10126	99.2
135.11696	75.8
137.13232	11.9
145.10159	10.9
147.11679	57.1
149.13246	17.4
151.11160	20.0
159.11659	13.1
161.13248	36.0
163.13544	3.8
163.14815	23.3
165.12747	4.1
173.13281	7.8
175.14828	22.8
177.16379	12.6
179.14252	2.9
187.14810	8.6
189.16348	23.6
191.17949	28.0
201.16376	8.7
203.17950	82.7
205.19514	24.4
207.17462	27.4
215.17967	12.2
217.19504	44.3
221.19032	17.1
228.08765	3.1
243.21146	5.6
245.22653	6.0
260.65347	2.9
269.22684	3.9
271.24194	11.2
283.24307	3.5
287.20074	7.8
355.30029	3.1
407.36938	21.2
425.37878	80.5
426.38174	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.0
57.07081	10.4
63.76964	7.0
67.05485	26.6
69.07056	23.3
71.22513	16.2
79.05503	19.8
81.07063	51.0
83.08627	18.1
91.05471	15.3
93.07063	40.9
95.08611	100.0
105.07022	34.7
107.08587	58.9
109.06530	8.0
109.10148	71.2
119.08580	59.2
121.10138	64.0
123.11703	25.3
133.10112	57.9
135.11687	35.9
137.13231	20.5
145.10123	15.4
147.11681	32.8
149.13313	25.0
159.11667	14.6
161.13261	27.0
163.14835	17.5
165.09126	19.9
175.14842	14.5
177.16380	9.7
179.14322	21.9
191.17973	19.3
203.17986	27.3
217.19507	31.2
245.22572	13.3
260.87006	8.4
285.25726	8.6
313.39606	9.8
341.27020	8.3
407.36880	17.6
425.21948	8.9
425.28964	40.0
425.37689	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	12.3
57.07067	5.7
67.05505	20.9
69.07061	19.0
69.58086	6.2
69.58517	7.7
79.05479	10.7
81.07058	50.9
83.08615	10.3
90.39838	2.0
91.05467	9.1
92.98644	2.2
93.07050	29.3
95.08605	100.0
97.10178	3.7
105.07031	18.3
107.08592	50.0
109.10158	41.2
116.84754	1.9
117.07057	2.0
119.08567	34.0
120.08112	4.6
121.10131	25.0
123.08060	7.1
123.11713	16.8
131.08569	4.3
133.10129	21.4
135.11694	27.4
137.13261	19.1
145.10107	7.2
147.11690	20.6
149.13254	19.9
151.14828	1.8
157.10106	3.5
159.11615	10.0
161.13240	27.7
163.14799	11.5
169.02672	2.8
171.11613	3.4
173.13309	5.8
174.91591	2.2
175.14825	6.6
177.16272	3.9
179.14307	20.6
180.68513	2.0
187.14806	3.5
189.16385	25.0
191.17964	14.3
197.69667	2.0
201.16382	8.0
203.17975	18.5
205.19640	2.3
207.17459	2.1
215.17960	17.7
217.19542	17.6
229.19548	4.5
231.21077	2.4
243.21098	3.3
245.22635	5.6
257.22604	4.3
259.24326	4.6
259.54727	2.0
269.22580	3.4
271.24142	4.5
306.08313	2.0
407.36978	21.2
425.21494	7.3
425.37952	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03960	2.4
55.05520	12.1
57.07056	11.5
59.53251	2.3
67.05495	21.0
69.07060	23.6
71.08630	3.5
79.05492	8.4
81.06581	4.5
81.07057	76.9
83.08614	11.3
91.05473	15.4
93.07034	27.2
95.08604	100.0
97.10172	7.9
105.07031	22.4
107.08584	32.6
109.06445	2.8
109.10155	42.8
111.11652	2.6
117.07041	6.1
119.08586	20.0
121.10135	32.9
123.11707	27.0
129.06969	2.9
131.08560	10.8
133.10135	21.1
135.11699	22.5
137.13252	45.7
143.08563	6.6
145.10092	15.1
147.11691	19.2
149.13251	14.6
151.14836	2.4
157.10103	4.0
159.11723	13.0
161.13260	13.5
163.14815	7.6
171.11760	7.6
173.13292	9.7
175.14822	7.9
177.16383	7.0
179.14293	2.7
179.17993	3.3
185.13239	8.3
187.14851	7.4
189.16409	10.1
191.17860	11.1
197.13255	2.6
199.14853	3.4
201.16351	8.9
203.17957	7.9
205.15831	3.1
205.19524	4.2
213.16418	7.6
215.17984	8.2
217.19566	11.6
219.17523	3.8
227.17917	9.1
229.19521	8.7
229.97684	2.6
231.17348	3.7
243.21181	3.5
245.18903	4.2
255.21165	5.7
257.22598	3.4
269.22797	2.5
283.24292	2.9
359.40128	2.6
407.36832	17.7
425.21368	5.9
425.38058	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	425.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05513	14.0
56.96582	2.3
57.07066	3.3
58.82337	1.5
59.05003	3.5
65.03983	1.8
67.05505	18.9
69.03416	2.1
69.07062	12.3
71.05003	2.2
71.59756	1.8
78.00906	1.7
79.05497	20.6
81.07064	48.7
83.04978	1.7
83.08618	5.9
85.06548	1.8
91.05479	20.4
93.07043	38.4
95.04976	4.3
95.08610	54.7
97.06515	5.4
97.10173	2.8
105.07034	51.1
107.08595	43.7
109.06546	4.0
109.10158	24.8
110.00195	1.7
111.08099	5.8
115.05411	2.1
117.07020	6.3
119.01984	2.1
119.08585	51.4
121.10147	35.7
123.08074	3.2
123.11716	13.4
125.09567	2.5
126.10831	1.6
129.07039	4.5
131.08560	17.7
133.10138	38.6
135.11707	19.8
137.13261	4.6
140.60773	1.9
142.07780	3.0
143.08545	9.5
144.09300	1.9
145.10130	23.7
147.11696	28.9
149.09608	2.3
149.13284	15.7
153.09076	1.8
156.09306	2.4
157.10123	18.7
159.11719	20.2
161.09621	3.1
161.13269	29.9
162.83932	1.7
163.11195	2.0
163.14842	11.1
165.09256	2.0
165.12790	2.4
170.10843	2.4
171.11707	14.2
173.13272	19.9
175.11270	2.5
175.14813	24.4
177.12866	2.5
177.16415	23.7
179.14229	2.7
183.11740	5.3
185.13309	9.3
187.14842	15.7
189.12779	4.2
189.16391	24.9
191.14305	7.7
191.17924	3.3
193.12299	5.3
193.15918	2.7
197.13278	3.2
199.14912	7.7
201.16391	12.6
203.14288	8.9
203.17950	15.6
205.15923	6.1
207.13864	3.6
207.17404	3.4
208.05298	2.1
211.14857	3.0
213.16389	11.1
215.17955	2.6
217.15843	5.7
219.17441	7.3
221.15323	4.3
223.14891	1.8
225.16368	2.4
227.17906	3.6
229.15898	2.7
231.17484	11.9
233.18924	1.7
241.19760	2.2
243.17461	3.4
245.18962	2.7
249.18451	8.0
257.18976	4.0
257.22659	2.0
259.20657	1.9
268.17838	1.7
271.20529	4.4
285.22076	2.8
289.05328	3.2
362.14520	1.8
371.29568	2.1
381.18854	9.5
381.28036	1.9
389.31641	3.2
407.33279	10.4
425.17834	30.7
425.25043	100.0
425.33981	49.3
426.17960	2.7
426.25327	8.3
426.34506	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	425.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.05508	13.4
60.58466	4.8
67.05507	37.1
69.07076	24.4
69.70472	13.9
69.70906	18.9
70.04749	4.2
71.04978	6.2
71.08630	5.0
73.09710	4.0
79.05502	24.2
81.07062	93.1
83.08618	15.7
86.34562	4.4
91.05479	25.2
93.07044	29.1
93.20646	5.3
95.08604	98.7
97.06529	16.6
105.07027	35.3
107.08545	21.9
109.10149	9.5
111.08044	5.5
115.07589	4.3
119.08587	50.2
121.10147	19.4
123.08119	8.3
123.11715	4.6
131.08588	7.9
133.10156	30.4
135.11691	21.7
137.13284	10.9
145.10106	6.2
147.11693	6.7
161.13260	100.0
173.13387	6.3
179.14322	65.4
197.15416	6.6
204.03221	4.2
398.72437	4.5
425.22122	5.3
425.33594	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01851	5.4
55.05526	20.3
57.03413	3.7
57.07064	10.0
64.65010	3.5
66.31637	3.3
66.50407	3.1
66.50767	3.4
67.05175	4.7
67.05509	82.3
69.03439	17.7
69.07065	35.3
69.65437	9.2
69.65849	17.1
69.66904	3.1
71.04984	8.5
71.08619	8.2
73.66516	3.1
73.83870	3.1
79.05494	29.3
81.03410	23.2
81.07059	100.0
83.04986	5.5
83.08619	19.3
85.02894	9.7
85.06532	4.8
85.10165	4.0
88.08983	3.7
91.05477	26.9
93.07048	48.8
95.04943	8.6
95.08603	79.5
97.02889	57.8
97.06508	8.3
97.10151	8.7
98.20782	4.0
99.04462	25.3
105.07027	32.5
107.08575	35.5
109.02875	9.4
109.06474	5.7
109.10152	45.5
117.07022	7.8
119.08588	28.2
121.06474	4.8
121.10139	31.2
123.08034	4.7
123.11706	23.3
125.09673	3.3
127.03912	15.8
129.06963	4.3
129.85449	3.1
131.08578	16.0
133.10120	26.9
135.11700	18.3
137.13263	12.8
139.11087	3.8
143.08574	8.6
145.04982	9.3
145.10149	17.1
147.11671	15.0
149.13271	12.9
157.10123	6.4
159.11659	13.8
161.13237	18.5
163.14766	11.4
169.10126	4.0
171.11664	8.1
173.13222	5.4
175.14737	9.8
177.16359	11.5
183.11833	3.9
185.13316	8.3
187.14828	10.1
189.12782	4.4
189.16380	14.8
191.14319	4.5
191.17937	4.4
201.16397	4.7
203.17975	12.6
215.17900	3.8
216.18616	3.8
243.21030	5.5
245.22583	8.5
263.23773	14.3
289.21603	4.6
309.17334	6.4
350.12259	4.3
371.26010	6.1
389.26743	11.0
389.31760	3.5
407.27655	6.6
407.32944	11.4
425.33136	24.2
440.41534	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	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01868	8.6
55.05514	30.0
57.03428	5.9
57.07073	5.7
65.03932	3.7
67.05504	95.8
69.03428	13.6
69.07069	35.7
71.05010	9.9
71.08620	6.0
71.24773	3.8
73.02910	6.6
79.05485	29.7
81.03440	12.2
81.07056	100.0
83.08614	23.8
85.02890	4.7
85.06542	17.0
85.10155	1.9
91.05479	20.3
93.07041	38.0
95.04993	2.9
95.08605	89.3
97.02889	96.6
97.06521	6.3
97.10148	13.4
99.04451	49.2
99.05094	3.1
99.08089	6.5
102.29967	2.1
105.07037	21.9
107.08596	27.3
109.02905	12.6
109.06506	4.7
109.10158	52.2
111.08092	5.8
111.11689	4.9
113.09676	3.8
114.18232	2.2
115.74505	1.9
117.07014	3.4
119.08566	22.0
121.10152	31.3
123.08048	2.0
123.11716	26.6
125.09612	3.1
127.03907	36.1
127.11137	3.8
131.08557	8.9
133.10118	19.6
135.11702	17.5
137.09660	2.5
137.13254	8.9
139.11137	2.7
140.66725	2.3
145.04915	10.8
145.10147	10.3
147.11691	18.5
149.09677	2.2
149.13257	14.7
151.11095	2.2
151.14685	3.4
157.10078	5.4
159.11711	13.3
161.13252	13.5
163.14804	10.3
171.11684	3.9
173.13235	4.5
174.52934	2.0
175.14864	10.0
177.16356	4.2
185.13159	2.1
187.14737	4.6
189.16400	8.1
191.17989	4.2
197.13292	2.5
199.14854	3.8
201.16342	6.8
203.17952	5.1
213.16420	3.9
215.17947	6.1
217.19533	4.1
241.19539	3.1
245.22687	9.1
263.23712	34.6
425.33090	2.8
425.38235	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	425.2895
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
55.01854	2.9
55.05515	9.5
57.07064	2.3
63.94617	1.6
64.73947	1.9
65.48391	1.7
67.05508	19.0
69.07053	11.2
70.73560	5.3
71.04995	3.1
76.49968	1.7
79.05495	12.1
81.06576	2.8
81.07056	44.8
81.88272	1.7
83.04980	5.1
83.08607	7.8
85.06527	3.2
91.05478	19.2
93.07046	16.8
95.04983	3.0
95.08611	36.3
95.38151	1.5
97.06519	6.7
97.10175	4.9
99.08089	2.9
105.07031	25.2
107.08582	17.3
109.06499	3.9
109.10162	16.3
111.08139	2.9
119.08582	25.5
121.10140	18.3
123.08054	3.2
123.11687	15.0
129.07037	2.2
131.08551	4.0
133.10162	12.1
135.11717	9.0
137.09573	2.4
137.13249	7.7
145.10135	3.8
147.11696	46.8
149.09567	1.8
149.13222	5.4
157.10120	7.9
159.11668	3.4
161.13268	20.7
163.14809	2.3
165.12766	26.2
173.13263	3.0
175.11203	7.6
175.14798	2.6
179.14339	11.9
183.13855	2.7
185.13248	2.0
187.14780	2.1
189.16376	4.4
191.17964	4.9
193.12199	3.7
201.16371	1.9
210.18805	1.8
211.13339	2.8
217.19505	3.7
229.14351	100.0
341.24783	1.9
425.38293	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	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11148	2.2
55.01860	3.4
55.05498	10.0
55.61449	2.3
62.07159	2.4
67.05510	24.4
69.07071	16.3
71.04984	3.6
74.63040	2.7
79.05502	14.5
81.07056	60.7
83.08598	6.0
91.05475	22.0
93.07037	24.1
95.04961	3.1
95.08601	45.5
97.06534	8.3
97.10153	4.2
98.20698	5.7
99.08076	4.9
105.07027	35.6
107.08579	21.4
109.06512	8.6
109.10159	13.1
111.08068	3.6
117.07013	3.4
119.08568	36.8
121.10145	26.8
123.08100	4.8
123.11689	22.4
127.07484	3.1
129.07027	3.8
131.08540	6.7
133.10107	18.5
135.11684	10.2
137.09601	3.0
137.13257	8.2
145.10098	4.8
147.11688	60.9
149.09618	3.5
157.10127	12.3
159.11693	5.4
161.13229	19.5
165.12776	32.2
175.11195	5.1
179.14288	17.4
183.13698	5.4
191.17938	4.7
193.12328	2.9
201.16261	3.8
229.14359	100.0
407.36508	4.1
425.34006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33598	0.4
55.05518	0.7
56.96563	0.5
57.30061	0.3
67.05492	1.1
69.03410	0.4
69.07055	0.7
69.80219	1.4
79.05482	1.0
81.03426	0.4
81.07062	2.3
82.98365	0.2
83.04967	0.3
83.08605	0.4
91.05469	1.3
92.58733	0.3
93.07045	1.8
95.04935	0.6
95.08613	2.3
97.06552	0.5
98.97583	0.3
100.11256	0.3
101.32179	0.3
105.07034	1.5
107.04959	0.3
107.08585	1.8
109.10156	1.3
111.04478	0.4
111.08049	0.3
119.01934	0.8
119.08602	1.4
121.10151	1.2
123.11717	0.7
127.03921	0.6
127.11240	0.3
129.06953	0.2
131.08574	0.8
133.10107	1.1
135.11707	0.7
143.08574	0.5
145.03506	0.4
145.10129	0.9
147.11688	0.9
149.13254	0.5
155.08470	0.3
157.10147	0.4
159.11694	0.9
161.13289	1.0
163.14870	0.4
171.11636	0.5
173.13289	0.6
175.14844	0.6
177.05478	0.5
177.16406	0.5
187.14816	0.6
189.16422	0.7
193.05028	0.4
197.03026	0.3
198.17958	0.3
199.14799	0.4
201.16446	0.3
203.17928	0.4
205.15826	0.3
206.22679	0.3
221.05113	0.5
245.05154	1.2
263.06274	0.7
289.05154	0.4
303.15945	0.4
305.07217	0.4
319.05029	1.3
355.17188	0.5
425.25101	100.0
426.25385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19215	5.3
53.03941	13.9
55.01861	19.4
55.05513	21.0
57.03445	11.1
57.93360	5.2
63.90706	7.1
67.05501	38.7
68.99808	12.8
69.03428	88.6
69.07071	20.7
69.52863	23.4
69.53291	26.1
71.04992	14.3
79.05495	54.2
80.62160	6.0
81.03422	64.6
81.07057	78.8
83.04972	14.4
83.08617	9.8
85.02901	40.0
85.06535	77.9
87.00838	13.9
87.04477	7.5
91.05458	62.9
93.07043	97.3
95.04968	23.3
95.08617	36.2
97.02886	48.9
97.06533	40.3
99.04461	23.2
99.08101	7.4
103.05482	9.4
105.01866	7.5
105.07034	88.8
107.04949	13.7
107.08591	59.5
109.02878	16.0
109.06512	31.3
109.10152	14.8
111.04414	9.7
111.08091	23.1
115.03910	11.7
117.06991	33.3
119.08573	100.0
121.06505	20.1
121.10152	97.0
123.08080	16.5
125.09666	11.8
127.03906	18.9
128.06227	11.3
129.07008	22.4
130.07735	8.4
131.08568	54.1
133.06502	13.5
133.10124	53.3
135.08093	23.6
135.11662	9.1
137.05994	12.2
137.09592	13.0
141.07005	18.8
142.07761	16.2
143.08551	33.4
144.09367	8.1
145.06517	12.1
145.10078	40.9
147.08078	34.6
147.11679	24.4
149.05974	7.4
149.09576	28.5
149.13254	27.0
151.07610	14.9
151.11182	6.4
153.09151	9.0
154.07814	6.6
155.08566	23.1
156.09352	7.9
157.10094	27.8
159.08072	23.5
159.11708	56.3
160.08723	6.2
161.09619	32.6
161.13315	15.0
163.11169	8.3
165.07014	10.3
168.09369	9.9
169.10162	27.1
171.08057	11.6
171.11694	22.6
173.09669	21.1
173.13362	6.7
175.07632	8.2
175.11221	26.0
177.09163	11.7
177.12784	31.6
179.08551	7.4
179.10712	12.6
181.10170	6.8
183.08150	6.4
183.11665	14.7
185.09644	15.7
187.07524	8.3
187.11153	31.4
189.09132	8.4
189.12778	23.8
190.77562	5.6
191.10622	10.8
193.10414	6.2
193.12312	18.2
195.07797	5.7
195.11827	8.0
195.13812	14.1
197.09662	15.7
197.13199	8.3
199.11159	13.2
201.09123	6.8
201.12672	13.1
203.10738	7.2
205.08636	6.0
205.12248	26.5
207.13831	20.9
211.11209	13.5
213.12762	11.4
215.10672	6.8
215.14182	6.3
216.20590	6.4
217.12224	16.9
219.13858	12.9
223.13203	11.7
225.12730	7.7
225.14856	9.2
229.12268	18.4
231.13872	10.7
235.13284	18.3
237.14897	6.6
239.14381	13.4
247.13435	14.1
249.15031	12.9
255.13651	6.2
257.15271	13.6
261.15015	8.0
267.13831	24.8
273.14786	7.0
275.16397	7.4
279.16119	10.7
285.14761	39.5
303.16013	61.0
321.16940	26.5
363.18054	33.8
389.15845	27.3
407.17053	83.2
408.17075	8.0
424.33951	6.1
425.17929	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1807
Annotation	[3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
55.05506	0.6
69.03439	2.6
71.04992	0.5
71.17616	1.3
71.49944	0.4
75.21982	0.5
81.03399	0.8
83.08634	0.6
85.02904	3.2
87.00866	0.5
91.05481	1.1
93.07032	0.7
97.02903	0.7
105.07041	1.1
119.08611	0.5
123.11697	1.2
124.12083	1.1
127.03898	1.0
129.06981	1.0
131.08560	2.6
141.06989	0.9
141.12766	2.5
142.13100	2.3
145.04921	1.0
145.06477	1.5
145.10115	0.7
146.07249	1.4
156.09335	0.6
157.10120	1.0
159.08052	62.9
160.08449	0.7
172.08710	0.5
173.09674	2.8
174.10406	100.0
175.11151	5.4
189.81088	0.4
199.11145	1.7
201.12666	1.0
217.12186	2.4
227.10675	1.6
230.09373	0.4
245.11734	6.6
257.87097	0.5
263.12784	78.3
264.13187	1.6
322.56949	0.4
393.14771	0.5
404.14371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
53.03929	1.6
55.01873	2.0
55.05524	1.3
56.96555	3.5
57.03416	1.7
57.98248	0.9
61.01158	1.6
61.02925	1.3
67.05502	2.4
69.03432	10.8
69.07066	1.4
70.06589	3.3
70.25367	4.0
71.05000	1.1
72.08157	1.1
73.02915	1.1
77.81915	0.9
79.05479	2.6
81.03409	4.2
81.07056	2.8
84.04529	0.9
84.08126	1.3
85.02912	10.4
86.06115	0.9
86.09716	2.4
87.04438	1.1
91.05488	4.3
93.07049	1.7
95.04968	1.5
95.08607	1.4
97.02913	5.1
98.97585	2.8
99.04445	2.0
103.05445	1.2
104.05333	1.5
105.07041	10.3
107.08619	1.1
109.02893	2.0
109.10161	1.0
111.04456	1.0
111.06697	1.0
116.98616	1.7
117.07048	3.6
119.04958	1.6
119.08580	1.4
120.08066	1.8
127.03931	5.4
128.98628	1.1
129.06992	3.6
130.07846	1.2
131.04913	1.1
131.08575	7.9
133.06436	1.4
133.10101	1.5
135.08084	1.1
141.06987	2.7
142.07761	4.4
143.08600	3.1
144.05775	1.2
145.05013	1.2
145.06482	3.5
145.10121	10.9
146.06288	1.9
146.07301	2.5
146.10857	1.6
147.08005	1.5
147.11679	1.4
151.04021	1.1
153.06926	1.2
155.08565	3.5
156.09369	2.9
157.06477	1.2
157.10149	8.4
158.07333	2.5
159.08066	83.8
160.08743	1.7
161.09575	1.2
161.29387	0.9
166.07713	1.6
168.96182	0.9
171.08034	3.5
171.11697	3.5
172.08879	2.2
173.09639	16.0
174.10416	100.0
175.11183	20.3
181.10103	3.3
184.08864	1.9
185.09633	3.4
197.09669	1.2
199.11176	10.0
200.11890	1.1
205.08591	1.4
209.09648	1.8
212.08507	1.5
217.12268	16.5
227.10687	19.4
237.02808	1.9
243.06523	1.4
245.11772	15.6
263.12793	78.7
264.13034	1.7
281.10620	3.1
287.05289	1.2
297.03918	1.3
305.15192	1.7
316.54614	1.1
341.05734	1.0
373.41260	1.2
389.15952	4.1
407.17072	22.3
425.17972	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1805
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
50.81536	1.0
53.03942	1.5
55.01857	1.4
55.05518	1.4
57.03439	4.1
61.02924	1.8
67.05500	1.2
69.03432	13.1
71.05004	3.9
71.60497	0.9
79.05488	2.2
81.03422	4.1
81.07040	3.1
83.04975	2.1
85.02420	1.9
85.02908	28.5
86.85265	1.1
87.04443	0.9
91.05488	3.2
93.07034	2.7
95.05009	1.2
95.08629	1.5
97.02905	8.0
97.06501	1.8
99.04452	1.3
105.07026	6.8
107.08589	5.1
109.02896	3.6
109.10200	1.5
111.08099	1.0
119.08565	1.8
121.06514	1.3
123.08088	1.2
123.11634	1.1
127.03907	5.6
129.07001	1.1
131.08569	2.3
133.10138	2.4
135.08076	2.3
137.09616	1.8
141.07018	1.0
142.07790	1.9
143.08566	3.8
145.04967	3.7
145.06433	1.7
145.10110	7.6
147.08047	2.7
147.11710	4.7
149.09636	2.0
151.07530	1.2
151.11244	1.3
155.08572	3.6
156.09354	3.1
157.10147	4.4
158.07260	4.6
159.08043	4.3
160.08847	1.3
161.09633	1.8
161.13266	1.3
166.07776	1.0
171.08067	3.3
171.11708	4.4
172.08818	2.9
173.09625	27.3
174.10298	1.4
175.11182	13.4
181.10187	1.1
184.08806	5.5
189.09126	3.1
189.12761	8.0
193.12331	4.6
199.11169	18.7
199.12846	1.5
201.12750	2.3
209.09683	1.3
212.08490	1.3
217.12219	19.1
227.10695	2.7
245.11763	3.0
263.12784	100.0
264.13205	1.3
268.12878	1.1
281.10577	1.0
425.15625	4.4
425.21552	1.1
431.72818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1595
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.83976	0.5
55.05512	7.5
57.07085	0.9
67.01872	0.8
67.05505	0.7
67.85178	0.6
68.99803	0.6
69.07076	0.7
69.65699	4.1
69.86942	0.6
73.07256	0.6
80.28467	0.7
81.07031	0.8
84.52238	0.5
95.08587	0.9
98.21532	1.2
107.08620	0.7
115.05419	1.0
123.04465	1.2
129.07033	0.8
139.03897	4.3
141.06963	0.8
147.04408	1.4
149.05951	0.6
153.01828	31.0
157.06470	1.2
161.02441	0.7
161.05939	1.3
165.83368	0.6
173.06055	1.3
185.05951	0.9
197.05963	0.9
211.07559	0.8
225.05559	0.8
229.05096	0.7
237.05420	2.0
243.06459	0.8
253.05022	2.5
257.04456	0.8
258.05228	10.2
265.04935	3.3
267.06546	0.7
269.04602	0.9
281.04440	4.7
282.05212	1.4
285.04019	0.6
286.04709	12.8
287.05334	0.9
293.04483	1.7
295.06073	4.5
297.04062	3.8
298.04684	1.4
299.05499	2.8
309.04028	2.8
309.07208	0.7
311.05475	16.8
312.05875	1.1
313.03506	1.6
323.02054	1.0
323.05542	10.5
327.04895	2.7
337.06924	1.3
397.16544	5.4
425.15936	100.0
426.16245	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	425.1805
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
50.88889	1.5
53.03955	1.5
55.01865	2.1
55.05519	1.4
55.44822	1.7
61.71644	1.4
65.83189	1.6
69.03417	4.7
69.43230	14.7
73.02917	1.7
79.05477	4.7
81.03414	3.0
81.07037	8.1
85.02882	4.9
91.05468	8.8
93.07029	6.5
95.04974	2.3
95.08592	2.9
97.02898	1.5
98.21484	3.2
103.05474	2.2
103.22407	1.7
104.99039	1.6
105.07040	18.1
106.27515	1.6
107.82700	1.6
109.02865	1.7
115.05470	3.7
117.03377	2.1
117.07010	11.8
119.04957	1.8
119.08598	5.9
126.12809	2.2
128.06233	10.9
129.07008	22.8
131.08582	14.9
141.06975	5.6
142.07816	4.4
142.13051	2.0
143.08568	46.6
145.02893	3.5
145.10118	21.4
147.08037	1.7
147.11679	2.1
155.08582	6.2
156.09363	12.2
157.06493	2.8
157.10132	6.9
159.07933	2.3
159.11700	2.8
161.06007	6.0
161.09645	2.2
165.06996	6.1
166.07764	7.5
169.10130	4.4
171.11685	100.0
172.12076	2.1
173.13312	5.6
175.07564	3.4
177.05489	6.4
179.08592	1.5
181.08601	1.1
181.10117	31.8
183.11696	3.3
184.08862	2.5
189.12709	2.1
199.11188	47.0
201.12642	2.2
216.40990	2.0
217.12250	76.8
227.10602	7.6
245.11740	29.2
263.12900	4.7
361.16345	2.8
379.17773	2.1
407.16821	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	425.1594
Annotation	fumicycline A
Peak:m/z	Relative Intensity
55.05485	0.6
57.07054	0.3
67.01836	0.6
67.05489	0.6
68.34067	0.3
68.99754	1.3
69.07046	0.3
69.53394	2.5
91.05417	0.4
93.07001	0.5
95.08566	0.6
105.06998	0.5
109.10172	0.3
111.00776	0.4
119.08524	0.3
123.04363	0.6
127.03947	0.3
133.10092	0.4
139.03856	0.6
149.02299	0.4
153.01817	11.5
155.03346	1.2
155.89001	0.3
161.05884	0.4
173.05940	1.1
187.07541	1.0
197.06024	0.5
203.03383	1.9
211.07449	0.3
213.05482	0.6
237.05487	2.6
241.04938	0.8
242.05611	0.6
243.06474	1.3
243.13730	1.0
252.04147	0.8
253.04881	1.2
255.06491	1.0
265.04941	3.3
267.13837	0.4
269.04425	1.4
271.13367	1.1
279.06546	0.3
280.03561	0.6
281.04419	0.6
282.05115	0.5
283.06021	1.7
287.05463	0.9
293.04440	0.6
295.06076	0.6
295.13135	0.5
297.03961	2.0
298.04773	4.0
299.05545	2.7
307.06003	0.4
308.06866	0.6
309.07288	0.4
310.04681	1.6
311.05481	89.0
312.05856	2.4
315.56036	0.3
323.05511	4.2
324.06140	1.6
325.07043	0.4
337.07086	0.9
365.13910	0.8
381.13306	100.0
382.13687	3.5
400.92734	0.4
407.14481	0.4
425.15930	12.8
426.16019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89996	1.9
52.70296	2.0
56.96334	1.8
56.96561	19.4
67.05463	2.6
69.03398	5.7
69.30221	2.0
69.50201	16.6
69.85101	1.8
70.06594	14.7
72.08142	3.9
79.05473	2.6
81.03410	4.0
81.07030	4.5
83.06089	2.5
84.04476	3.5
84.08116	6.4
84.96010	3.5
85.02912	11.6
85.06499	4.2
86.09663	6.5
91.05470	4.3
95.08574	4.7
97.02849	7.3
98.97580	46.6
105.06958	3.0
109.02841	4.1
110.97533	2.5
111.04434	2.3
116.97842	2.7
116.98629	45.7
120.08059	8.0
123.08054	4.5
124.03915	2.4
127.03851	4.8
128.98578	4.6
129.06946	2.5
134.99651	27.6
136.07568	3.0
143.08484	4.5
145.02789	6.2
146.99574	8.2
147.11594	3.9
149.05890	2.3
151.07497	3.3
153.00642	3.6
158.01189	2.4
158.99583	7.5
160.07579	3.3
171.11673	5.3
173.05969	3.4
177.00652	11.3
177.05400	8.9
189.00665	2.7
207.13690	2.9
217.12128	4.8
219.01633	3.0
237.02687	7.7
245.08606	2.3
263.09674	12.2
263.12012	3.3
281.10605	15.9
299.11533	4.8
305.10452	8.3
309.09732	2.6
319.08234	2.6
323.11649	35.9
337.05676	3.3
341.12598	8.8
343.21841	2.6
344.13553	3.0
346.13342	3.8
365.12646	8.2
382.12897	2.5
425.15277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	13.4
63.01774	4.8
65.74287	4.8
68.99763	5.2
69.03423	5.5
69.75757	18.4
69.76188	9.2
81.03420	10.3
81.07061	4.9
81.18671	4.5
85.02896	7.2
91.05473	9.1
95.04970	29.1
96.21001	5.3
98.97610	11.3
100.59238	5.1
103.61537	4.4
107.04981	7.7
108.17830	4.6
109.02917	6.0
111.04416	6.5
115.05472	9.5
116.98557	6.5
117.07015	25.3
119.08543	5.7
121.06508	5.7
127.03858	4.9
128.06187	4.8
133.06554	5.1
141.06987	5.6
143.08513	6.1
144.05733	6.6
145.06468	29.9
145.10088	6.0
147.04416	5.9
147.08035	10.2
149.09642	6.1
157.01596	4.7
157.10141	6.5
158.10979	4.8
159.03188	5.7
159.08055	6.2
160.05235	5.3
167.07111	10.4
173.05974	9.2
175.07492	7.6
179.03789	15.3
181.08603	21.3
190.06366	6.8
194.09364	9.3
195.06517	5.1
197.04778	30.0
199.07555	8.2
201.09145	11.3
205.08589	57.1
207.10185	20.2
215.05664	9.4
217.08788	5.0
219.01746	13.1
219.06825	5.2
219.10152	5.2
223.06441	15.1
223.09708	16.1
230.91145	5.1
237.02834	16.0
237.07886	5.7
259.09647	6.0
263.09445	6.1
265.24673	5.7
281.10544	10.5
285.11066	13.7
303.12283	20.8
321.13257	28.8
339.74146	5.7
397.99805	5.6
425.15173	100.0
443.16312	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	425.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.3
55.05484	2.1
56.48853	1.9
56.96565	3.7
57.03407	2.5
61.02886	2.4
67.05483	2.2
68.99763	2.2
69.03432	4.8
70.06574	7.2
70.85050	3.7
71.01317	2.4
71.04977	2.8
72.08154	1.9
74.41747	1.9
79.05474	2.9
81.03420	22.8
83.04956	2.7
84.04484	3.2
84.08127	2.8
85.02913	12.8
86.09679	7.2
87.00809	6.2
91.05469	16.7
95.04970	29.8
97.02901	10.2
97.03987	2.1
98.97549	3.4
99.04423	3.8
102.04634	2.1
102.44205	2.2
103.05476	2.4
105.07015	4.1
107.04930	9.4
109.02840	3.3
111.04446	18.7
115.05463	16.8
116.06293	4.5
116.98611	2.8
117.07014	43.0
119.04889	2.3
119.08535	10.7
120.08098	2.3
121.06521	2.9
127.03886	6.7
128.06172	6.2
129.06987	6.1
131.04893	6.0
131.08603	3.5
132.05682	5.4
133.06485	6.0
136.06149	2.8
136.07594	2.7
137.07903	2.3
141.06967	7.7
143.08545	6.6
144.05701	5.9
145.06480	40.6
145.10127	2.5
146.07204	2.5
147.04425	4.4
147.08003	11.1
149.09628	3.1
150.63890	2.2
151.07483	2.6
153.06934	4.5
155.08563	2.5
157.06429	4.5
157.10068	2.8
158.07210	2.8
158.10881	12.3
159.08066	10.0
160.05186	3.3
161.05943	8.6
161.09637	2.4
162.06781	9.9
162.71577	2.3
163.03896	5.9
163.07455	5.1
165.06952	5.7
166.07806	2.5
167.07076	11.8
167.08340	4.0
168.07869	2.6
169.06450	4.3
170.07249	3.3
171.04369	3.2
171.08014	6.2
172.05174	5.1
173.05972	7.7
173.09583	3.7
175.07550	14.5
176.08197	2.5
177.05458	3.6
177.09087	2.4
178.06265	2.3
179.03770	3.2
179.06996	4.2
179.08588	2.6
181.06412	5.1
181.06676	3.6
181.08571	33.1
181.10115	4.9
182.07317	3.6
183.07985	4.7
185.05806	2.4
186.06674	2.8
187.07553	7.6
189.05513	4.0
189.09027	3.0
190.06230	8.7
191.07008	5.4
192.07840	2.7
193.08562	11.4
194.09354	13.6
195.06494	6.6
197.04703	4.1
197.09604	3.1
199.07524	7.1
201.09126	10.2
203.06996	5.7
205.08594	100.0
206.09094	3.1
207.06488	3.2
207.10172	26.7
211.07596	4.0
215.07095	4.8
217.08600	5.6
219.10205	9.5
221.08081	5.5
222.08868	2.8
223.09605	21.2
225.09094	6.8
227.06970	3.1
229.08585	6.6
231.10165	6.4
232.07309	3.2
233.08067	3.0
237.02715	6.1
239.06906	2.6
243.06514	3.2
243.10146	7.2
243.85721	2.2
245.11772	3.8
247.09615	4.5
253.08546	6.7
257.11722	3.0
259.09586	4.8
261.11179	5.7
263.12820	2.8
271.09641	4.5
275.09412	4.0
275.12720	5.3
281.10471	2.4
285.11240	23.7
303.12323	33.7
307.24936	2.0
321.13315	38.7
339.14340	6.4
382.64130	2.5
407.13187	3.0
425.14252	90.1
425.22675	3.5
426.14603	2.8
432.71069	1.9
435.39240	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
58.75507	0.8
69.57889	6.7
82.99832	1.6
94.99867	1.1
97.02882	1.5
98.97604	1.0
101.00882	6.4
105.00360	0.9
109.02871	1.0
113.00829	1.3
119.01919	32.1
127.02408	1.6
131.01886	7.7
137.02942	7.1
143.01901	24.2
145.03471	10.7
147.01392	1.2
149.02995	2.7
153.42918	0.8
155.01889	9.9
157.03453	7.7
161.02956	58.0
162.03125	1.7
163.04515	2.3
167.01865	4.1
169.03416	2.2
171.05013	2.0
173.02960	21.5
175.04581	4.9
179.01955	2.7
179.04021	2.0
184.04620	1.5
185.02960	37.1
186.03101	1.1
187.04594	4.2
190.98529	1.2
191.03995	6.5
197.02979	14.7
199.04716	1.1
203.04007	16.5
209.02951	1.7
215.03964	8.7
221.05023	2.4
227.04068	7.4
233.05070	1.2
239.03955	1.0
245.05074	100.0
246.05247	3.8
257.05127	5.1
263.06110	28.0
275.06100	12.6
293.07144	5.1
305.07169	8.3
335.08209	3.0
365.09143	4.4
425.06851	10.7
425.11765	1.9
426.07355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	0.3
69.03423	0.4
69.35439	2.7
69.35849	0.8
75.68344	0.3
76.58736	0.3
77.00352	0.3
77.00935	0.4
81.03417	0.7
82.77908	0.3
82.99883	1.4
86.99317	0.4
94.93005	0.5
94.99847	0.4
97.02859	1.0
98.21502	0.7
101.00873	7.9
104.49691	0.3
107.59312	0.3
109.02885	0.7
112.89620	1.0
113.00875	0.9
119.01920	26.9
127.02402	1.5
128.64262	0.3
129.00325	0.4
131.01910	9.3
133.03452	0.9
137.02945	3.7
139.02386	0.8
141.68745	0.3
142.03461	0.5
143.01895	21.6
145.03464	9.7
147.01370	0.6
147.04994	0.4
149.02956	1.5
155.01888	10.2
157.03458	5.3
161.02959	53.3
162.03151	1.2
163.04449	1.6
167.01895	5.0
169.03465	2.2
171.05035	2.4
173.02966	20.5
174.03151	0.6
175.04564	2.0
177.02495	0.5
179.01892	2.5
179.04021	1.8
179.05353	0.3
181.03452	0.4
184.04578	0.8
185.02959	33.1
186.03131	0.7
187.04530	3.8
189.06129	0.5
191.03999	6.1
197.02960	13.2
198.03194	0.4
199.04497	0.7
203.04015	17.0
209.02983	1.3
215.04016	7.6
221.04977	1.7
227.03979	7.3
233.05139	0.7
239.03949	0.7
245.05072	100.0
246.05299	2.8
248.89613	0.4
257.05045	5.8
263.06125	28.7
264.06323	0.9
275.06125	13.1
286.07660	0.8
293.07178	4.1
305.07181	8.5
306.07352	0.4
317.07162	0.7
325.44727	0.4
335.08139	3.0
365.09274	5.4
366.09811	0.4
383.10315	0.8
425.06729	2.2
425.11880	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	425.1049
Annotation	HPF
Peak:m/z	Relative Intensity
65.97593	0.9
66.95484	0.7
70.27299	0.8
71.19556	1.8
90.81338	0.9
101.00867	1.4
116.40298	0.9
117.65250	0.8
119.01908	2.4
131.01859	0.9
133.68788	0.8
137.02974	0.9
140.13576	0.8
143.01881	2.5
145.03471	1.0
155.01872	1.2
161.03041	4.5
173.02966	1.4
185.02951	3.3
185.90869	0.8
196.13289	1.0
197.02939	1.2
203.04008	1.8
215.04112	1.1
215.33533	0.9
219.09325	0.9
226.61792	0.8
245.05099	12.8
263.06186	3.4
275.06079	1.8
356.09839	0.9
425.10574	100.0
426.11166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55792	1.1
56.96545	1.9
62.45324	1.2
71.17932	3.3
76.00860	1.3
77.87868	1.2
98.97573	2.8
101.00838	3.1
119.01929	18.0
125.72104	1.3
131.01884	5.2
137.02945	3.1
143.01881	14.3
145.03438	4.0
147.01347	1.5
149.02937	1.6
155.01881	4.7
157.03438	5.3
161.02959	36.1
161.04306	1.9
163.04544	2.1
166.09743	1.2
167.01945	3.2
169.03502	1.6
173.01482	2.2
173.02936	14.7
175.04465	2.2
177.00728	1.8
185.02945	21.9
187.04532	4.1
190.98561	2.5
191.04021	3.6
197.02972	8.7
203.03976	10.1
215.03981	5.9
227.03943	4.2
237.02719	1.4
245.05078	58.7
255.22542	1.3
257.05066	3.2
263.06155	18.0
275.06140	7.0
281.01556	1.4
293.07092	3.3
305.07074	6.4
323.02872	1.8
335.08246	1.7
365.09229	2.4
407.05865	2.0
425.06830	100.0
426.07126	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85218	0.9
56.96577	1.6
64.64639	1.2
65.88315	1.0
67.43280	1.1
70.64037	2.6
70.64399	1.9
98.97571	1.2
116.98598	1.2
119.01923	3.7
142.34416	1.0
143.01947	2.3
158.99654	1.5
161.02997	6.7
167.02188	1.2
173.02989	3.4
185.03046	3.1
197.02980	2.2
203.04039	1.8
215.04138	1.4
245.05061	12.3
263.06149	3.3
265.81656	1.1
275.06277	1.2
323.03076	1.3
425.10663	100.0
426.11130	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05517	3.3
65.03929	1.4
67.05501	7.8
69.03422	9.0
69.07062	5.8
71.05021	1.7
71.59450	1.8
79.05494	6.9
81.03400	2.9
81.07044	10.7
83.05005	1.6
85.02899	8.9
85.06533	3.5
91.05473	2.5
93.07044	12.2
95.04950	10.1
95.08611	6.1
97.02901	3.7
97.06534	6.0
99.04456	5.0
101.05988	1.8
105.01881	1.8
105.07034	8.1
106.07402	1.8
107.04954	2.9
107.08597	18.0
109.02874	2.7
109.06512	4.1
113.05996	3.9
114.09217	1.5
119.08591	5.3
120.71365	1.3
121.06491	5.7
121.10143	17.1
123.08067	3.4
123.11678	1.3
125.05994	1.8
127.03898	3.0
130.24716	1.3
131.08549	2.3
135.08067	1.4
135.11673	7.3
139.11250	1.8
145.04936	1.9
145.10114	12.7
147.11679	3.5
149.09645	2.5
151.07536	2.7
153.12767	2.1
159.08046	4.2
159.13860	1.6
160.08427	3.7
163.11180	26.1
165.12814	3.7
167.10716	4.9
169.08603	38.5
169.10042	2.4
173.09607	1.8
174.10333	3.7
175.10721	3.4
181.12227	15.8
185.11775	2.0
191.10623	11.3
198.09987	2.1
209.11655	10.6
227.12770	100.0
228.13084	2.9
244.09811	2.4
245.13829	4.0
302.30511	1.2
424.16815	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	424.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
55.05494	4.7
56.05025	3.2
57.03432	19.9
58.99584	7.7
67.05483	1.5
69.07067	7.2
70.02934	3.0
71.22839	1.7
71.23165	1.8
74.00275	2.1
74.00665	25.3
76.02230	16.0
76.04029	8.6
78.03795	3.0
79.05492	6.7
80.97928	1.4
81.07059	27.4
83.06088	4.5
84.04501	35.1
84.62752	1.6
85.04026	23.6
86.09721	3.3
86.99049	3.5
88.02214	1.4
92.01698	9.6
97.06532	17.3
98.09676	2.2
99.05576	9.5
99.08089	98.4
101.40302	1.4
112.03941	8.1
113.03481	7.0
113.04194	3.0
116.01672	15.2
127.05779	3.5
129.03693	13.6
129.06599	8.2
130.04021	2.6
130.04994	41.7
131.04504	24.0
131.05386	2.3
142.03304	1.6
144.01123	6.5
145.06085	25.4
149.03772	3.7
153.06609	2.2
155.08070	1.5
156.08418	3.4
157.06775	4.8
160.00618	6.5
162.02196	28.1
174.09477	20.4
175.07915	11.4
177.03291	100.0
179.04849	15.3
181.04446	2.4
181.06050	5.0
182.73615	1.4
185.03795	7.0
192.10498	2.1
199.07188	3.0
230.08388	2.2
231.04349	9.4
241.51173	1.6
242.08453	5.7
247.11046	3.6
256.09225	2.1
257.04126	1.6
259.11136	4.5
260.09534	36.8
274.10260	3.1
277.12180	38.7
278.10510	4.3
288.06396	5.6
295.13159	6.0
306.07660	10.5
310.08707	1.4
321.18295	1.6
331.13074	6.9
349.14322	6.7
352.97751	2.0
406.16312	4.6
424.17340	2.5
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	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05510	12.7
56.34034	1.5
57.03427	2.1
57.07069	8.1
63.49281	1.6
67.05507	28.3
69.03426	4.3
69.07069	18.9
69.08833	2.1
71.04984	2.0
71.08640	4.0
71.60166	2.4
79.05498	18.2
81.07059	40.0
83.04978	2.4
83.08621	9.3
83.99738	1.7
85.06535	3.3
91.05497	14.7
93.07049	33.1
95.04958	4.6
95.08607	54.6
97.06518	4.3
97.10172	5.8
99.08094	3.9
105.07028	25.7
107.08595	42.9
109.06519	21.0
109.10160	32.1
111.08080	4.3
111.11729	2.2
117.07043	2.8
119.08582	37.7
121.10144	33.3
123.08070	29.3
123.11706	12.5
127.03906	2.2
129.06943	1.9
131.08577	13.3
133.10120	28.3
135.08070	7.6
135.11702	24.1
137.09639	2.3
137.13261	4.7
139.11229	2.3
143.08527	4.4
144.09378	1.7
145.10120	19.0
147.08060	2.4
147.11700	21.3
149.09641	2.4
149.13252	9.7
151.11200	2.8
156.09358	2.2
157.10149	7.5
159.11700	20.3
161.13235	16.2
163.11107	2.5
163.14806	14.0
169.10162	2.4
171.11705	6.2
173.11971	2.5
173.13254	11.3
175.14841	10.5
176.41135	1.8
177.12747	4.2
177.16391	7.3
179.14317	70.3
180.14630	2.6
183.11736	2.5
185.13264	6.0
187.14838	12.3
189.16316	12.1
191.14334	2.4
191.17964	9.4
193.15865	3.3
199.14851	5.8
201.16393	22.6
203.17967	15.2
205.15825	3.3
205.19566	1.9
207.17438	2.9
209.13324	2.0
211.14861	3.0
213.16400	5.3
215.17966	15.2
217.19527	3.6
219.17358	2.0
227.17860	3.1
229.19525	6.5
231.20984	2.0
233.18906	3.7
239.29280	1.8
241.19511	3.1
243.21227	4.4
245.22729	1.7
255.21150	3.5
257.22552	3.9
267.21222	3.4
269.22595	5.2
271.24146	2.1
283.24246	2.8
299.23782	2.8
303.27090	1.8
315.27774	1.8
331.26294	33.0
332.26654	3.4
405.35114	13.1
423.30972	73.0
423.36255	100.0
424.31299	8.1
424.36621	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.9
57.07055	4.7
60.92996	2.6
65.03920	3.0
67.05504	27.5
67.56672	2.4
69.07070	22.7
70.67056	4.9
70.67432	5.1
79.05494	14.3
81.07059	55.8
83.08614	9.7
86.50716	2.5
91.05486	16.1
93.07048	38.9
95.04963	3.0
95.08604	92.8
97.10162	3.9
105.07031	40.7
107.08597	54.6
109.06525	3.3
109.09455	4.8
109.10156	65.2
111.08083	8.0
117.07037	5.8
119.08583	52.5
121.10143	45.4
123.11706	23.4
129.06967	2.6
131.08569	11.3
133.10127	43.9
135.11682	29.9
137.13287	5.6
139.11172	12.8
142.07808	3.5
143.08568	8.2
145.10095	19.2
147.11671	35.5
149.13246	19.6
149.93958	2.5
151.14815	3.4
157.10139	10.4
159.11679	25.5
161.13243	27.7
163.14827	16.6
171.11725	7.0
173.13223	18.8
175.14789	18.9
177.16321	17.9
185.13269	5.7
187.14806	12.2
189.16386	24.8
191.17909	6.2
197.13287	2.9
199.14816	8.8
201.16408	21.9
203.17953	35.6
205.15898	3.8
205.19498	4.3
207.17447	2.6
211.14819	4.6
213.16389	11.2
215.18036	19.1
217.19505	17.1
219.17552	9.1
221.42957	2.8
227.17960	11.7
229.19560	11.0
233.18910	3.3
241.19571	6.8
243.21104	6.4
245.19075	5.5
255.21193	5.6
257.22665	6.7
267.21204	3.2
269.22720	8.7
271.20612	3.2
271.24249	4.0
283.24222	4.4
285.22064	3.6
295.23984	2.7
365.32004	7.0
405.35159	16.1
423.36221	100.0
424.36462	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05514	16.8
57.03416	1.6
57.07059	6.3
65.03930	2.9
67.05168	2.8
67.05503	37.4
69.03413	2.6
69.07063	28.8
71.04969	1.4
71.08630	2.7
71.60114	2.3
78.24740	1.5
79.05492	25.1
81.03403	1.7
81.07060	57.2
83.08609	14.6
85.02874	2.0
85.06537	2.3
91.05485	20.7
93.07044	47.5
95.04972	6.9
95.08604	80.4
96.08942	1.4
97.02909	2.2
97.06536	4.0
97.10166	6.3
104.38279	1.3
105.06377	2.8
105.07031	37.2
107.08596	56.1
108.08900	2.1
109.06487	3.9
109.10159	60.9
111.08066	2.5
111.11732	3.1
115.05438	1.4
117.07050	7.7
119.07780	2.9
119.08578	42.0
121.06444	1.7
121.10139	43.7
123.08064	6.4
123.11708	20.1
125.09587	2.2
128.06221	2.2
129.07062	3.3
131.08575	16.0
133.06503	1.6
133.10129	31.3
135.08026	4.0
135.11693	24.8
137.09605	2.2
137.13242	16.9
141.06921	1.8
141.30174	1.5
142.07791	1.8
143.08533	10.0
144.09328	2.5
145.10129	31.3
147.10522	1.7
147.11681	28.1
149.13254	23.6
151.11220	1.6
151.14885	8.4
155.08508	4.4
156.09357	2.9
157.10138	12.8
158.10898	2.2
159.11703	25.6
161.13246	22.6
163.11162	2.5
163.14830	12.0
165.12770	2.4
168.09251	1.8
169.10155	4.9
170.57932	1.4
171.11705	12.3
172.12386	1.7
173.13248	17.0
175.11214	2.3
175.14841	18.7
177.16389	16.1
179.14299	6.1
183.11722	5.2
185.13257	9.0
187.14806	16.0
189.12798	2.4
189.16393	22.8
191.17918	8.6
195.11700	2.5
197.13269	4.1
199.14803	8.6
200.90164	1.5
201.12805	1.7
201.16391	15.9
203.17944	15.2
205.15877	3.3
205.19521	4.6
211.14957	3.2
213.16310	9.9
215.17958	13.6
217.15907	4.0
217.19547	5.4
219.17462	4.2
225.16371	3.0
227.18025	5.7
229.19470	7.4
231.17445	6.2
233.18997	4.6
239.17793	2.4
241.19569	6.4
243.21075	7.1
253.19592	2.1
255.20975	3.3
257.22708	4.1
259.20557	1.9
261.22168	3.4
267.21078	2.5
269.22540	2.7
271.20416	2.3
273.22147	4.0
281.22775	2.8
285.22217	3.5
287.23779	2.9
297.25684	3.7
299.23828	4.6
313.25381	2.9
327.26831	2.4
331.26300	4.4
381.31622	1.9
405.35004	13.2
423.31268	8.6
423.36234	100.0
424.36569	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
54.21682	3.4
55.05513	29.9
57.07062	14.3
61.90718	3.9
65.03924	3.9
67.05504	52.5
69.07064	32.0
70.78987	12.0
71.08644	5.8
79.05485	29.0
81.07052	79.2
83.08598	22.5
85.06553	4.9
91.05481	27.6
93.07045	57.3
95.04935	6.7
95.08606	100.0
96.08951	3.4
97.06543	5.2
97.10166	14.3
99.08086	4.7
103.05453	3.6
105.07030	39.6
107.08591	76.4
109.06535	16.3
109.10152	73.5
111.08063	6.6
117.07022	8.6
119.07792	6.1
119.08588	65.3
121.06532	4.1
121.10146	61.1
123.08069	38.8
123.11713	32.2
124.67841	3.7
125.09644	4.7
129.07051	6.0
131.08568	30.5
133.10130	59.2
135.08112	11.6
135.11685	35.4
137.13269	15.9
142.23953	4.0
142.41443	3.8
143.08563	12.7
144.09396	4.0
145.10144	45.0
147.11679	46.4
149.09657	6.8
149.13257	32.5
151.11176	5.8
157.10147	16.0
158.10898	4.6
159.08046	4.4
159.11722	43.8
161.13274	24.4
163.14836	19.8
169.10110	4.9
171.11732	9.7
173.13255	31.6
175.14777	17.5
177.16411	15.0
179.14302	50.9
183.11736	4.7
185.13258	8.1
187.14816	24.4
189.16399	25.6
191.17943	27.1
197.13297	4.7
199.14835	8.8
201.16367	38.8
203.14371	5.0
203.17935	21.9
205.15865	8.9
205.19589	6.2
207.17429	6.7
213.16405	10.4
215.17960	35.4
217.19492	12.7
229.19597	6.5
241.19429	4.7
243.21164	4.7
257.22675	6.5
269.22739	3.5
281.22662	4.3
331.26276	34.6
349.27414	14.8
392.25540	3.7
395.36496	4.7
405.35220	22.8
423.30957	78.1
423.36298	70.3
424.31326	4.7
424.36719	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	Unknow
Peak:m/z	Relative Intensity
52.68099	0.8
53.03944	2.2
55.05513	16.5
57.07072	5.4
63.32521	0.8
65.03954	1.8
67.05503	34.7
69.07069	24.2
69.26288	0.8
69.56650	2.9
69.57072	3.3
71.08633	1.7
76.04494	0.9
77.03882	1.2
77.36068	0.9
79.05486	17.1
81.07056	60.4
83.05002	1.1
83.08618	11.3
85.06492	1.1
91.05475	16.8
93.07047	42.8
95.04954	3.6
95.08607	100.0
96.08937	1.2
97.06525	0.8
97.10166	6.6
99.08054	1.1
103.05389	0.9
105.07027	45.1
105.32365	0.9
107.08593	65.3
109.06503	3.2
109.10155	84.2
111.08085	6.5
111.11741	4.0
115.05392	1.0
117.07011	4.5
119.08580	58.1
121.10145	49.0
123.08087	2.7
123.11709	25.4
125.09635	2.1
129.07024	2.5
130.07823	1.2
130.17540	0.8
131.08582	16.3
133.10132	55.3
135.11687	33.1
137.09622	1.7
137.13249	8.3
139.11182	7.1
141.06963	1.0
142.07832	0.9
143.08565	6.1
144.09315	1.7
145.10117	27.1
146.10597	0.8
147.11693	40.0
149.02374	1.6
149.13258	27.3
151.11214	1.4
151.14836	1.9
155.08670	1.2
156.09312	1.5
157.10127	8.8
158.10832	1.6
159.11694	31.6
159.13017	1.6
160.12358	1.5
161.13255	34.9
163.11159	2.7
163.14824	19.7
165.12772	3.1
165.16447	1.2
165.65001	0.8
169.10159	2.3
171.11708	7.9
172.12509	0.8
173.13258	21.0
174.13751	1.2
175.14828	22.2
175.93266	0.8
177.12743	2.7
177.16399	17.9
179.14273	1.4
179.17931	1.9
183.11653	2.6
185.13263	8.3
186.13942	1.4
187.14825	16.0
189.16385	21.6
191.14285	1.8
191.17972	8.8
192.18265	0.7
193.05023	1.3
193.15910	2.3
195.17438	1.0
197.13327	2.6
199.14804	7.7
201.16385	19.9
203.17955	41.7
204.18333	1.1
205.15880	6.7
205.19511	6.6
205.37389	0.9
207.17487	3.4
211.14876	2.3
213.16383	9.1
215.17957	16.8
217.16116	4.2
217.19519	21.3
219.17439	7.5
219.21083	1.3
221.18942	1.9
225.16409	3.0
226.16956	0.8
227.17946	8.5
229.19522	11.1
231.17433	2.7
231.21054	3.9
233.19043	3.1
239.17906	1.9
241.19507	5.6
243.21120	7.9
245.19019	3.5
245.22678	2.6
247.20607	2.2
253.19586	2.6
255.21046	6.1
257.18921	1.7
257.22729	5.8
259.20569	2.5
267.21146	2.4
269.18893	0.9
269.22629	5.9
271.20816	4.5
271.23981	4.1
273.22171	2.2
281.22644	2.8
283.24402	1.8
285.22122	2.7
285.25891	1.5
295.24249	2.8
297.25772	1.6
299.23764	1.7
311.05713	1.8
311.27344	2.6
313.25333	3.2
323.27487	0.9
327.26721	1.6
351.30441	1.6
363.30667	1.1
365.32104	8.7
367.30014	1.5
405.35138	16.1
406.34802	0.9
423.14655	1.5
423.36218	87.5
424.36743	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08450	2.9
55.05503	15.3
57.07069	3.4
67.05504	32.5
69.07068	27.5
69.57616	22.8
71.83886	3.1
79.05486	15.8
81.07056	46.5
83.08607	14.4
91.05484	17.0
93.07050	40.7
95.04933	3.3
95.08607	92.9
97.10188	6.6
97.16357	3.0
105.07021	43.7
107.08595	53.9
109.06505	3.2
109.10155	77.5
111.08064	7.5
111.11752	4.3
117.07000	4.3
119.08571	57.0
120.08945	2.9
121.10141	53.8
123.11720	21.4
131.08604	13.1
133.10123	45.9
135.11690	34.5
137.13242	7.4
139.11171	7.7
143.08571	7.3
145.10104	26.9
147.11687	37.5
149.13274	29.9
151.14867	2.7
153.01878	8.5
157.10153	10.6
159.11700	23.7
159.61118	3.4
161.13260	29.6
163.14813	15.2
171.11716	8.7
172.12459	3.1
173.13290	16.8
175.14847	19.2
177.16353	16.8
179.17921	2.9
185.13205	7.1
186.88054	2.8
187.14861	19.2
189.16350	29.6
191.17946	9.9
199.14816	4.1
201.16380	23.0
203.17947	42.4
205.15900	6.9
207.17506	4.5
213.16405	8.6
215.17932	18.1
217.19513	23.6
219.17484	7.5
227.17880	9.5
229.19537	10.8
231.21127	3.4
233.19182	3.3
237.05399	4.1
241.19621	6.8
243.21132	6.7
245.19006	4.0
255.21074	7.6
257.22675	5.1
269.22641	5.0
273.22247	3.1
281.22754	3.6
282.78107	3.5
283.24182	4.2
310.04663	3.0
311.05469	99.7
311.08871	5.7
312.05823	8.8
313.25143	3.1
323.05478	11.7
325.07016	12.8
335.05658	4.0
353.06656	20.4
354.06833	4.1
365.32053	9.8
405.35461	15.7
423.14355	9.3
423.36246	100.0
424.36752	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03951	2.6
55.05497	10.3
55.60620	2.2
57.07078	4.2
67.05499	27.7
68.96586	2.3
69.07063	22.1
69.57672	19.0
73.93691	2.0
74.50258	2.1
78.29670	2.3
79.05502	11.7
81.07056	45.5
83.08614	8.7
91.05479	10.7
93.07031	30.0
95.08601	70.9
97.10170	6.9
105.07030	35.5
107.08587	48.6
109.06511	4.0
109.10145	58.5
111.08069	6.8
111.11710	3.8
117.07045	3.9
117.67789	2.6
119.08582	43.4
121.10133	44.5
123.11699	19.1
129.06969	3.3
131.08553	12.6
133.10132	37.9
135.11684	24.0
137.13272	6.9
139.11159	5.2
143.08565	6.8
145.10133	17.1
147.11693	25.9
149.13246	16.9
153.01805	7.6
157.10150	6.3
159.11705	22.1
161.13235	24.2
163.14796	16.7
167.14162	2.2
171.11638	4.5
173.13252	17.2
175.14796	15.0
177.16391	17.7
183.11766	2.6
185.13249	5.2
187.14746	14.3
189.16362	19.7
191.17966	8.1
199.14827	8.3
201.16360	18.1
203.17961	37.6
205.15842	5.5
205.19614	3.4
207.17358	2.9
213.16371	11.5
215.17973	13.5
217.15846	2.8
217.19510	19.5
219.17480	7.1
225.16574	3.2
227.17998	6.4
229.19600	6.3
231.20839	2.9
241.19409	3.4
243.21169	5.6
255.21132	5.3
257.22595	5.4
259.20667	3.0
267.21100	3.5
269.22842	4.7
271.24246	4.1
283.24347	4.0
295.24127	3.1
305.79614	2.8
311.05331	6.0
311.27341	2.9
313.25125	4.6
347.32648	2.8
365.31998	8.5
405.35126	12.4
423.14185	6.2
423.36212	100.0
424.36435	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22485	0.8
55.01854	1.1
55.05508	5.2
57.03418	1.4
57.07069	5.6
67.05499	9.6
69.03412	1.4
69.07065	6.8
69.54290	4.4
69.54719	3.6
71.04975	1.9
71.08618	3.6
79.05481	6.7
81.07053	17.9
83.04953	1.9
83.08600	2.8
84.87978	0.9
85.06534	2.5
91.05467	4.7
92.07346	1.1
92.45386	0.8
93.07043	9.5
95.04966	2.3
95.08604	15.1
95.57611	1.0
97.06515	2.1
97.10175	1.3
99.08090	2.5
105.07027	8.2
107.08594	9.1
109.06517	19.9
109.10160	7.6
111.08076	1.4
117.07037	1.5
119.08566	7.3
121.10168	6.0
122.07291	3.3
123.08066	29.9
123.11696	2.1
131.08592	2.6
133.10101	4.7
135.08055	6.8
135.11670	2.2
137.09648	1.3
145.10121	3.8
147.11710	3.0
149.09639	1.5
149.13289	2.6
153.14801	0.9
155.60622	1.1
157.10138	1.3
159.11708	2.9
161.13252	2.9
165.12811	1.1
167.14284	1.7
169.10080	1.0
173.13260	1.7
176.46259	0.9
177.12683	1.4
177.16354	1.3
179.14302	91.4
180.14639	1.9
189.16493	1.1
193.15906	3.1
205.15880	4.1
233.18806	1.1
275.20059	2.1
289.25177	1.5
293.21295	1.2
303.26965	1.5
331.26291	36.4
332.26572	1.4
349.27310	7.9
405.30112	1.6
415.22665	1.1
423.31024	100.0
423.35364	4.1
424.31290	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.29195	0.7
55.01873	2.1
55.05508	7.5
55.36884	0.7
56.96557	1.3
57.03429	2.0
57.07075	4.6
65.03947	1.6
67.05504	21.2
69.03433	2.3
69.07066	10.3
71.04990	1.9
71.08629	4.5
71.60860	0.9
73.02898	0.8
79.05493	10.5
81.03424	2.0
81.07056	23.6
82.07392	0.7
83.04990	1.6
83.08622	3.8
85.02900	1.1
85.06547	2.3
86.85273	0.7
91.05476	9.7
93.07043	14.5
95.04955	2.1
95.08604	24.2
97.02898	4.4
97.06525	2.4
97.10156	1.7
99.04458	4.0
99.08101	2.2
105.06335	0.6
105.07012	12.0
107.08591	14.9
107.09270	0.9
109.02914	1.0
109.06508	17.7
109.10159	16.3
109.10907	0.8
111.08080	2.0
113.00010	1.7
115.05481	1.1
117.07044	2.7
119.08581	12.5
121.10137	11.3
122.07330	2.0
123.08060	35.7
123.11704	4.7
125.09621	0.7
127.03924	4.0
129.07033	1.1
131.08559	5.7
133.10117	9.9
134.10396	0.7
135.08038	8.1
135.11681	6.6
137.09636	3.2
137.13272	1.3
143.08571	1.1
145.10101	6.5
147.11685	6.9
149.09622	2.4
149.13281	5.5
151.11122	1.1
151.14828	0.8
157.10164	2.1
158.11002	0.7
159.11703	6.5
161.09595	0.8
161.13222	4.4
163.11234	1.2
163.14868	2.9
165.12772	1.8
167.14406	1.5
171.11729	1.3
173.11839	1.6
173.13292	4.6
175.14856	2.9
177.12769	2.0
177.16437	2.0
179.14307	77.0
179.59373	0.8
180.14708	1.1
185.13344	0.9
187.14787	3.4
189.16417	2.8
191.14374	1.3
191.17957	1.4
193.15886	2.5
201.16376	5.0
203.17918	4.3
205.15816	4.3
205.19574	0.8
207.17480	1.2
213.16344	1.3
215.17946	3.8
217.19608	1.9
219.17447	0.9
227.17943	1.0
229.19543	2.0
233.19096	1.4
241.19591	1.2
243.21169	1.4
247.20476	0.9
259.20605	1.0
261.18600	0.7
261.22147	1.4
263.20035	1.9
269.22665	1.8
275.20032	1.8
303.26849	2.3
313.25296	1.0
331.26294	42.8
332.26682	1.6
349.27664	1.8
365.23956	0.7
367.24893	1.2
383.24792	2.2
401.25708	2.7
405.35410	1.9
423.31134	100.0
423.36310	14.9
424.31827	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01849	0.8
55.05508	8.0
57.03432	2.3
57.07074	6.1
67.05506	12.1
69.03411	1.6
69.07076	7.3
69.59084	1.2
69.59489	5.4
71.04977	1.7
71.08616	3.6
75.04465	0.7
76.02769	0.8
79.05490	8.2
81.07054	17.4
83.04959	1.0
83.08604	2.8
85.06544	1.6
91.05489	4.9
93.07053	10.3
95.04977	1.7
95.08606	13.3
97.02888	5.5
97.06529	1.5
97.10183	1.5
99.04449	3.5
99.08084	1.8
99.94434	0.8
104.10720	0.9
105.07029	6.9
107.08603	8.9
109.06528	16.3
109.10161	6.0
111.08078	1.3
112.99968	1.4
117.07017	1.4
119.08565	6.8
121.10158	6.5
122.07292	1.6
123.08064	35.7
123.11695	2.9
127.03929	1.6
129.06911	1.1
131.08575	2.6
131.32816	0.9
133.10121	4.7
135.08043	5.7
135.11667	3.7
137.09616	2.1
145.10124	2.7
147.11703	3.7
149.09612	2.0
149.13278	2.4
157.10135	1.3
159.11710	3.5
160.18274	0.8
161.13208	1.1
165.12721	1.3
167.14301	1.4
173.13228	1.3
175.14853	1.1
177.12759	2.2
179.14310	74.1
180.14645	2.5
187.14841	1.4
191.14301	1.1
193.15958	3.2
201.24744	0.9
205.15886	2.6
219.17506	0.8
233.19017	1.3
261.22147	1.1
263.24408	1.0
275.20187	2.5
285.86142	0.9
303.26813	3.5
331.22321	1.8
331.26300	35.0
332.26642	2.0
349.27341	8.3
367.24783	1.6
405.29922	1.6
406.30078	0.8
423.31073	100.0
424.31357	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
54.91608	2.5
55.05515	12.1
57.07061	10.1
59.04988	7.5
67.05504	28.3
69.03425	10.6
69.07056	10.8
71.04984	7.3
71.60131	3.5
79.05484	23.6
81.03416	4.5
81.07052	39.5
83.04955	4.0
83.08611	7.8
85.06535	11.7
91.05479	29.2
93.07041	43.0
95.04963	10.2
95.08607	32.7
97.06469	3.3
105.04537	2.5
105.07024	57.8
107.08593	25.2
109.06475	13.3
109.10148	21.2
111.08064	22.0
117.07005	11.0
119.08573	47.3
121.06496	7.9
121.10124	19.3
123.08057	21.4
123.11682	7.9
125.09618	2.7
127.03957	2.8
128.06224	7.3
129.06993	11.2
131.08565	16.3
133.06502	3.9
133.10114	22.0
135.08061	26.9
135.11707	7.8
137.09608	35.2
141.06995	6.1
142.07819	15.3
143.08537	15.3
145.10129	20.8
147.08034	31.2
147.11688	8.5
149.09601	5.3
149.13235	4.6
151.07535	11.3
151.11154	4.6
155.08549	15.8
156.09283	6.7
157.10117	24.5
159.08060	5.5
159.11700	15.8
161.09599	9.3
161.13228	10.7
163.11206	7.1
165.09109	62.9
166.09363	2.6
167.08531	4.9
168.09338	8.4
169.10098	13.2
170.10797	4.1
171.11705	9.2
173.09625	4.6
173.13306	6.9
175.11171	4.0
175.14809	5.3
179.14355	3.2
181.10155	7.4
182.10924	4.8
183.11688	17.0
185.13243	9.4
187.11227	3.5
187.14859	4.4
189.12735	4.3
191.14253	3.7
195.11737	3.2
196.12456	4.8
199.11194	2.7
199.14801	3.4
201.12688	3.3
203.14320	23.4
203.17867	4.9
207.11775	2.5
209.13181	3.8
209.15343	2.5
211.13084	3.7
211.14793	7.2
213.12744	3.5
215.14304	4.6
221.15356	100.0
233.15263	3.5
243.17358	4.4
255.13840	2.9
277.17883	5.2
299.20020	3.3
312.20563	3.1
343.22623	11.3
354.56940	3.2
391.26645	3.9
402.18692	2.6
405.27466	3.1
423.28696	24.0
423.36252	18.4
424.37448	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21045	2.3
53.75198	2.2
55.05513	12.0
56.96558	5.4
57.07073	3.2
67.05499	19.2
69.03381	2.3
69.07056	8.2
69.88184	11.6
71.04987	5.1
79.05509	18.6
79.50968	2.2
81.03369	2.4
81.07053	27.2
83.04996	4.2
83.08612	8.6
85.06536	3.5
91.05462	10.8
93.07034	23.3
95.04977	5.8
95.08605	34.6
97.06539	4.0
97.10128	2.8
105.07030	15.8
107.04945	7.0
107.08594	20.7
109.06492	5.2
109.10130	7.2
111.08092	5.4
111.25000	2.6
117.07057	3.9
119.08575	17.7
121.06487	3.2
121.10144	13.3
123.08048	7.3
125.13647	2.8
131.08569	4.3
133.10144	10.2
135.08057	4.2
135.11693	22.7
137.09642	2.6
143.08615	2.9
145.10136	18.7
159.11732	4.6
161.13261	12.0
163.11179	33.9
179.14346	15.7
181.12228	10.4
190.96344	2.5
199.42755	2.2
224.77325	2.4
227.12778	100.0
231.90770	2.4
250.85188	2.6
283.12125	5.8
325.13287	3.1
331.26312	5.0
341.20645	3.4
347.76508	2.4
423.31509	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06632	5.3
53.03931	10.6
55.05494	23.5
57.03428	8.5
57.07066	6.3
57.20987	6.5
59.04997	7.2
66.29745	5.9
67.05503	100.0
69.03415	26.9
69.07067	38.5
71.04984	11.8
71.17399	16.7
79.05493	62.4
79.26826	6.0
81.03421	44.2
81.07050	88.1
83.04948	9.2
83.08615	22.5
85.02881	12.9
91.05469	58.5
93.07036	73.1
95.04954	22.5
95.08601	73.4
97.06532	10.3
97.10159	9.8
99.04441	7.6
99.08037	7.4
105.07022	65.7
107.04981	8.9
107.08607	53.4
108.11919	7.4
109.06512	14.3
109.10151	47.9
111.04420	9.9
111.08015	9.5
117.07061	32.1
119.08572	52.3
121.06509	10.7
121.10159	35.9
123.11668	13.4
125.09664	6.0
129.06993	12.3
131.08571	36.7
133.10146	35.6
135.08002	8.2
135.11668	24.8
143.08498	14.0
145.10112	27.5
147.11702	35.8
149.09581	6.8
149.13210	19.0
155.08556	7.6
157.10081	13.4
159.11671	21.7
161.09573	9.1
161.13271	20.1
163.14769	7.0
167.08482	6.4
169.10109	11.7
171.11702	17.6
173.11737	9.2
173.13248	16.2
175.11208	6.4
175.14748	7.6
185.13284	14.2
187.14845	10.1
197.03481	6.3
197.13400	8.4
199.14757	7.7
243.20924	8.9
249.14963	7.3
259.20541	17.0
261.22171	16.0
277.21802	8.9
279.23334	6.1
303.23175	15.3
315.23105	6.1
351.22910	7.2
369.24152	23.8
387.25272	17.5
405.26724	30.8
423.27423	41.2
423.32288	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01867	12.4
55.05515	30.3
57.03427	7.9
57.07059	7.5
59.04982	16.2
67.05505	100.0
69.03429	32.3
69.07078	28.6
69.65358	29.3
71.01344	4.9
71.04977	11.5
73.02925	6.9
79.05492	73.7
81.03415	27.7
81.06577	5.4
81.07055	99.8
83.04979	6.6
83.08627	13.7
85.02895	14.1
91.05486	53.0
93.07046	90.2
95.04960	8.4
95.08606	61.9
97.02899	61.1
97.06543	10.2
97.10166	5.3
99.04456	39.4
99.08054	4.7
105.07036	58.0
107.08588	55.0
109.02878	12.4
109.06517	13.0
109.10150	40.5
111.04457	7.4
111.08048	6.5
115.11276	4.9
116.98615	4.2
117.07024	15.4
119.08578	44.4
121.06517	5.3
121.10139	50.6
123.08050	16.0
123.11729	22.0
127.03918	48.3
129.05507	4.8
129.07007	7.5
131.08582	30.5
133.10109	31.5
135.08043	5.1
135.11726	33.8
145.04871	4.2
145.10136	26.5
147.11726	27.0
149.13255	19.5
155.08548	5.7
157.10141	5.6
159.11658	22.3
161.09709	6.7
161.13261	18.9
163.14816	7.5
169.10092	6.8
171.11652	9.7
173.09540	4.1
173.13271	20.1
175.14824	6.3
179.14311	24.0
183.11636	5.8
185.13287	7.8
187.14880	6.3
189.16438	4.3
199.14934	7.3
206.36923	4.2
211.11334	4.9
243.21097	7.4
259.20502	9.3
261.22028	37.9
301.21844	5.3
331.26331	13.6
357.24127	4.5
358.33087	4.8
405.26132	6.0
409.05667	4.4
423.26929	14.7
423.31412	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
53.98491	2.9
55.00645	2.6
55.01855	8.8
55.05286	3.5
55.05510	28.5
57.03423	10.6
57.07057	3.8
65.03931	4.4
67.05503	92.7
67.55947	2.7
68.78122	3.3
69.03429	46.7
69.07069	26.3
69.47672	3.0
70.98120	7.4
71.01327	3.5
71.04992	6.9
79.05492	58.8
81.02982	5.0
81.03416	65.3
81.07055	100.0
83.04968	11.9
83.08611	13.8
85.02901	18.1
85.06531	6.2
91.05476	45.2
93.07044	72.1
93.30665	2.8
95.04964	17.1
95.08602	66.7
97.02895	19.2
97.06541	7.8
97.10168	5.0
99.04441	11.8
103.03932	4.3
105.07026	46.1
107.08595	46.0
109.02884	12.8
109.06515	15.2
109.10136	37.7
111.04411	7.8
111.08044	5.8
115.05431	3.6
117.07008	24.2
119.08576	37.8
121.06492	8.2
121.10146	46.4
123.08069	10.8
123.11697	12.2
125.05917	3.8
125.09602	4.8
127.03896	12.3
128.06216	4.2
129.05475	5.7
129.06981	13.4
131.08571	38.2
133.06493	5.5
133.10110	34.3
135.08063	6.2
135.11674	36.6
135.29889	3.0
137.13235	6.1
139.11172	3.8
143.08530	12.8
145.06471	3.7
145.10107	28.6
145.11162	4.0
147.08029	5.9
147.11665	25.6
149.13269	20.6
151.14816	3.3
157.10120	12.2
159.07991	4.6
159.11678	24.8
161.09634	6.8
161.13242	16.2
163.11168	5.8
163.14827	4.2
169.10175	7.0
171.07962	3.9
171.11678	11.5
173.09550	4.3
173.13277	21.6
175.11096	6.2
175.14853	9.5
177.12717	3.9
179.14212	6.5
183.11754	6.4
185.13264	8.6
187.14854	8.9
197.13231	4.3
199.14841	6.0
211.14684	4.0
215.14165	3.9
243.21112	7.8
259.20587	13.7
261.22107	33.5
273.22052	6.4
275.20050	3.9
277.14362	3.4
277.21619	8.5
279.23120	5.1
289.21536	5.0
291.23148	4.5
301.21637	5.8
303.23090	11.8
319.22852	4.5
331.22583	4.9
351.22961	5.9
369.24115	21.3
387.25168	20.9
405.26315	22.6
423.26865	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01857	7.8
55.05508	33.2
56.96558	3.3
57.03431	8.3
57.07065	5.8
58.55795	3.1
67.05170	5.3
67.05507	86.1
69.03438	23.0
69.07072	27.7
71.04973	8.9
71.59609	3.2
71.59993	3.6
78.51860	3.3
79.05491	63.4
81.03415	31.9
81.07056	100.0
83.04971	10.1
83.08621	9.5
85.02901	10.4
85.06537	4.5
91.05481	55.5
93.07043	71.5
95.04961	14.4
95.08602	64.7
97.02892	9.0
97.06521	10.0
97.10159	7.0
99.04442	9.0
103.03960	4.8
104.32536	3.1
105.07031	49.6
107.04948	4.9
107.08588	45.7
109.02866	5.2
109.06512	11.8
109.10165	34.9
110.11753	3.3
111.04440	5.5
111.08068	8.5
117.07011	21.0
119.08570	36.6
121.06486	8.5
121.10154	35.9
123.08099	11.6
123.11720	13.1
127.03896	6.6
128.06224	4.3
129.07007	9.9
131.08568	38.4
133.10132	31.6
135.08025	8.1
135.11711	32.1
137.09644	9.2
137.13193	4.0
139.11148	3.7
141.07077	3.4
143.08557	11.2
145.06464	7.0
145.10126	23.5
147.08093	4.4
147.11699	22.8
149.09621	6.9
149.13257	16.7
151.07465	3.7
151.11188	4.5
155.08560	5.5
157.10132	13.9
159.08032	7.8
159.11684	20.2
161.09576	4.4
161.13264	17.4
163.11201	5.4
163.14784	6.4
167.08585	5.5
169.10110	7.8
171.07903	5.1
171.11670	14.2
173.09718	3.5
173.13264	19.2
175.14832	6.5
179.14355	11.5
183.11691	4.3
185.13286	10.9
187.11147	4.0
187.14798	6.7
189.12730	4.3
195.11685	5.1
197.13240	9.8
199.14825	4.5
201.12677	4.0
203.14333	5.0
215.17969	4.1
241.19420	6.7
243.21060	8.9
249.14882	3.9
259.20599	14.2
261.22153	25.5
271.20337	4.1
273.22195	5.8
277.21738	6.0
285.22195	3.8
291.23148	4.5
297.26605	3.2
301.21713	3.6
303.23178	13.7
315.23022	4.1
331.26202	7.7
341.24597	4.6
341.89978	3.2
345.24142	4.3
351.23129	8.7
369.24197	25.1
387.25430	15.4
405.26498	17.2
423.27185	14.5
423.31494	13.2
423.36423	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05489	1.9
69.07062	1.7
70.29809	1.7
70.30200	2.2
77.62813	0.8
79.05508	1.8
81.07075	4.0
83.08630	1.1
85.02943	0.8
91.05467	2.2
93.07056	1.8
95.04953	1.0
95.08610	3.6
105.07014	3.4
107.08572	3.7
109.10150	2.5
119.08596	4.6
121.10138	1.6
123.11698	0.9
129.07077	0.7
131.08600	3.7
133.10150	2.7
135.11725	0.9
137.06004	0.9
145.10146	6.7
147.11726	1.2
149.13257	1.1
157.10104	1.4
159.11713	1.8
163.14886	1.3
169.10178	0.8
171.11752	0.8
173.13313	3.7
175.14835	1.8
177.16461	0.9
185.13264	0.9
189.16385	2.1
201.16388	2.1
203.05273	39.4
203.17973	1.6
243.17285	2.9
244.07872	1.0
259.01730	0.9
287.05655	0.9
328.14050	0.7
377.32010	1.8
379.99924	0.8
423.11877	3.2
423.23547	100.0
424.23697	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
55.01855	9.1
55.05512	30.3
57.03428	12.1
57.07061	6.1
67.05504	97.9
69.03426	55.2
69.07076	30.2
70.98406	9.4
71.04996	17.0
73.02908	4.4
75.85471	3.6
79.05489	79.7
79.66773	3.0
81.03419	61.5
81.06577	5.1
81.07053	100.0
83.04985	14.3
83.08601	16.1
85.02917	24.5
85.06538	4.6
87.82800	3.4
91.05478	58.1
93.07041	90.1
94.56210	3.6
95.04965	18.5
95.08611	73.0
97.02904	25.7
97.06516	9.8
97.10160	3.9
99.04462	12.9
103.05449	3.6
105.07030	63.2
107.04951	8.4
107.08595	51.1
109.02864	10.1
109.06514	12.1
109.10155	42.3
111.04398	5.9
111.08065	8.2
117.07008	27.0
119.08580	49.7
121.06491	7.5
121.10147	45.9
123.08080	11.7
123.11704	15.2
125.05962	4.1
125.09647	4.9
127.03916	7.7
128.06189	5.9
129.05482	5.7
129.07002	18.2
131.08565	39.1
133.06493	5.8
133.10123	36.9
135.08060	8.3
135.11691	34.4
137.09647	5.4
141.06966	5.3
142.07762	5.0
143.08542	16.7
145.10101	26.2
147.08064	4.3
147.11714	26.5
149.09602	6.3
149.13255	17.0
151.11159	5.4
155.08556	9.8
157.10141	15.5
159.08136	5.2
159.11661	24.1
161.09618	10.7
161.13214	16.5
163.11183	4.6
163.14798	8.5
167.10640	4.5
169.10173	7.5
171.11676	11.2
173.13301	16.1
175.11163	4.9
175.14792	5.9
177.12784	5.9
179.14317	5.4
181.10091	5.2
183.11713	7.8
185.09630	4.7
185.13268	11.6
187.11166	4.7
187.14816	10.0
191.14247	4.9
192.62389	3.6
194.95921	3.5
195.11748	4.2
197.13200	3.8
199.11264	4.7
199.14725	5.4
201.12599	4.3
203.14262	3.6
209.13257	6.9
211.14746	4.3
221.15451	4.0
234.43518	4.3
241.19463	6.8
242.53694	3.4
243.21159	8.2
259.20609	14.3
261.22174	25.4
275.19962	5.8
277.21643	6.8
285.18735	4.2
289.21542	5.6
291.23288	7.9
301.21558	5.6
303.23135	13.1
319.22726	4.2
320.29425	15.0
341.24680	4.8
345.24014	6.3
351.23102	6.7
369.24222	23.2
387.25290	18.3
405.26297	25.1
423.26889	23.0
423.36649	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	423.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76441	6.2
52.53366	7.4
53.03939	9.4
55.05505	21.0
56.96564	16.7
61.02931	9.3
67.05501	28.2
68.99754	7.0
69.03433	36.4
69.07064	15.5
71.21217	16.0
73.02904	7.3
75.69366	6.0
79.05489	16.5
81.03424	30.7
81.07060	31.4
83.08627	24.4
84.08149	8.8
85.02902	51.5
87.00837	19.3
91.05487	17.9
93.07043	27.0
95.04977	13.1
95.08589	35.1
97.02885	26.7
97.06510	7.1
97.10149	7.8
98.97612	10.0
99.04460	15.9
105.01849	16.7
105.07030	19.7
107.08604	18.2
109.02866	19.4
109.10172	21.8
116.98615	14.3
119.08601	18.3
121.10145	11.4
127.03912	37.6
129.06941	6.3
131.08568	20.6
133.10147	9.8
134.99590	8.8
145.04971	13.0
145.10144	11.6
147.11633	7.4
157.10179	7.7
159.03049	8.6
159.08066	100.0
171.11644	8.2
177.00739	14.6
183.08022	13.3
201.09076	10.1
225.09167	8.3
237.02794	7.5
237.13454	12.5
255.14452	18.4
289.05261	14.1
423.24588	13.9
424.95358	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	423.2013
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
51.82707	4.5
55.01860	11.4
55.05501	15.1
56.96569	6.4
57.03412	17.7
61.02921	8.7
67.05481	17.5
68.99773	7.0
69.03072	6.6
69.03429	100.0
69.07059	19.6
70.06595	6.2
71.01321	6.9
71.04990	6.8
71.39573	8.0
73.02905	8.9
79.05481	22.1
81.03425	25.7
81.07036	19.3
83.04976	8.2
83.08619	8.1
85.02900	46.1
86.09735	9.0
87.00820	30.5
91.05477	17.5
93.07034	24.9
95.04952	18.2
95.08590	27.0
97.02896	62.4
97.06483	8.6
97.10121	5.4
99.04477	9.2
105.01852	19.2
105.07024	47.2
106.30466	5.8
107.04908	7.9
107.08588	22.6
109.02880	7.4
109.06419	5.7
109.10151	16.4
111.04425	6.5
112.64783	5.3
115.03928	15.7
117.06938	7.1
119.08588	57.5
120.08089	5.1
121.06482	10.6
121.10139	35.3
123.08058	10.4
123.11727	7.1
127.03929	22.4
129.06996	8.5
131.08522	21.7
133.06479	9.8
133.10138	66.3
134.14148	5.4
135.08049	10.7
135.11699	12.1
137.09621	10.8
143.08568	14.1
145.10107	35.3
146.99677	5.9
147.02843	5.4
147.08022	8.9
147.11676	17.9
149.13206	7.1
157.10150	17.1
159.08064	7.2
159.11687	20.9
161.09583	12.0
161.13240	16.3
163.11169	8.8
163.14922	4.9
167.06911	6.6
169.10147	10.5
171.11641	15.6
173.09602	5.9
173.13258	26.5
175.14839	94.9
177.12758	5.5
177.16408	39.3
181.10109	6.4
183.11555	5.1
185.13332	7.5
187.14856	15.5
189.16383	11.2
191.14418	6.5
193.15875	6.1
197.09575	5.2
197.13304	7.2
199.04675	4.9
199.14818	13.6
201.03931	39.6
201.12692	5.4
203.14301	18.0
205.15892	19.6
215.14403	7.7
217.15887	12.0
255.17422	10.6
261.11243	5.4
263.16342	10.0
283.16937	22.9
301.18011	17.8
319.18918	9.7
337.20007	5.7
356.09857	5.9
387.18439	10.4
405.19080	48.5
423.20184	66.7
423.25073	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	423.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01869	3.1
55.05503	12.7
57.03429	2.6
57.07062	3.6
59.05001	2.4
63.01279	1.5
65.03931	2.3
67.05505	22.9
69.03423	10.7
69.07061	13.4
71.04992	4.8
79.05486	5.3
81.03416	34.1
81.07058	24.4
83.04979	13.2
83.08612	4.5
85.02908	15.0
85.06552	2.1
86.09708	2.3
87.00864	2.2
90.92196	1.6
91.05453	9.0
93.07036	13.5
95.04970	7.0
95.08610	29.3
97.02891	100.0
99.04453	12.5
99.08084	3.6
105.01876	1.7
105.07048	10.2
107.04951	17.6
107.08598	27.8
109.02881	47.9
109.06506	9.7
109.10159	93.7
111.08092	3.9
113.09630	1.7
117.07044	1.6
119.08567	39.3
121.10136	14.0
123.08066	14.8
123.11710	6.5
125.09600	2.9
127.03917	83.7
131.08578	3.0
131.93317	1.7
133.10112	22.5
135.11693	84.8
137.09619	17.0
138.10332	2.1
139.11176	3.7
140.10548	1.9
143.08566	2.8
145.05057	2.4
145.10114	2.7
147.11659	3.6
149.13254	8.7
151.03900	3.8
151.11179	9.4
151.14822	11.8
153.12762	1.9
165.16376	2.8
173.13232	3.6
175.14818	37.8
185.13399	1.8
193.15877	65.6
193.17674	3.5
211.16925	49.1
213.03932	24.3
246.46353	1.9
291.05994	1.8
294.61560	1.7
371.49066	1.6
387.17612	2.1
423.10977	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
56.14100	1.3
61.01154	7.6
68.28462	1.2
70.56937	3.8
72.04511	11.7
72.08156	4.8
73.02892	1.2
76.38648	1.1
78.03793	20.2
83.04987	1.4
85.02901	9.3
85.06531	2.3
86.06086	1.4
86.09728	1.5
88.02221	5.8
98.02421	1.4
99.04455	5.9
99.05605	3.2
102.03766	27.3
103.02158	2.4
103.03938	17.2
104.33493	1.3
109.02889	5.1
113.06010	2.1
114.03763	4.0
114.05518	1.4
120.04824	5.6
120.08071	3.1
124.07561	2.4
126.05516	22.5
127.03894	9.3
131.06389	13.3
131.12984	1.7
132.04796	15.0
136.07573	1.5
141.06564	1.9
142.08635	6.6
149.07442	58.9
152.07031	2.9
154.08624	3.5
156.06496	1.3
158.02667	1.5
159.05913	2.8
175.05336	4.3
180.06573	13.5
184.09724	1.3
194.98717	1.2
198.07698	3.6
216.08708	2.9
222.08095	1.4
231.11566	5.9
257.09576	2.2
261.12686	5.4
275.10605	4.5
293.11652	100.0
294.11749	2.9
342.13382	1.2
405.16904	35.0
423.14127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1437
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03952	0.9
55.05509	4.8
57.03435	1.0
64.52863	0.6
67.05502	11.1
68.99805	1.1
69.07066	2.5
71.11288	1.9
79.05504	3.3
81.07057	7.2
83.04976	1.0
83.08613	1.1
91.05473	2.4
93.07069	5.0
95.04966	0.8
95.08614	10.8
105.07040	2.9
107.08598	4.7
109.10153	6.2
111.00790	0.7
111.08089	1.3
113.57832	0.8
119.08589	4.5
121.10150	3.0
123.11717	1.8
129.06956	0.6
131.08568	1.4
133.10117	4.3
135.11688	1.6
139.03908	3.5
141.07074	0.8
143.08556	0.9
145.10118	1.9
147.04384	1.0
147.11694	2.4
149.13281	2.1
149.31110	0.7
150.25179	0.6
153.01825	38.0
157.10120	1.0
159.11717	3.2
161.13319	2.3
163.03947	0.8
163.14824	1.6
165.05452	1.4
169.06445	0.7
171.02980	0.6
171.08107	0.7
171.11664	0.8
173.06018	1.0
173.13248	1.5
175.14854	1.1
177.16348	1.4
179.14304	0.9
181.06459	0.8
185.05959	1.1
185.13353	1.0
187.07457	0.7
187.14847	1.2
189.16389	0.9
197.05902	0.7
199.14862	0.9
201.16377	2.7
203.18024	2.2
207.10211	2.8
209.06087	0.9
211.07561	1.1
213.05536	0.9
215.17987	1.1
217.19606	1.5
225.05617	0.7
237.05452	3.5
241.05083	1.1
242.05705	0.9
253.05013	2.6
254.05672	0.7
255.06639	0.8
257.22562	0.8
258.05194	6.3
265.04959	10.3
269.04477	2.8
271.06027	0.9
279.06476	3.2
281.04468	3.6
282.05264	1.1
285.04147	1.1
286.04733	8.8
293.04462	3.0
293.07825	1.0
295.06055	2.2
297.03958	9.3
298.04733	4.9
299.05457	3.7
303.06577	2.2
307.06149	2.0
309.04050	1.0
310.04883	1.3
311.05502	18.0
323.05542	7.3
325.07178	2.1
326.04175	1.2
327.04889	3.9
331.06198	1.6
335.05545	1.5
337.07126	0.9
339.04956	1.8
339.08600	0.9
349.07169	2.9
405.13611	0.9
407.07959	1.6
422.35104	2.4
423.14474	100.0
423.36258	6.6
424.14679	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13684	0.5
55.05497	2.5
56.96560	0.8
57.03423	0.6
59.29277	0.6
61.20394	0.5
65.03923	0.7
67.01865	0.7
67.05505	7.8
68.99802	1.1
69.07069	12.8
69.50109	4.6
70.06071	0.6
79.05508	3.7
81.07055	10.9
83.04944	0.8
83.08602	1.5
83.90529	0.6
91.05474	5.0
93.07050	9.2
95.08605	21.5
97.10145	0.9
98.20742	1.2
105.07031	9.8
107.08591	10.2
109.06490	1.6
109.10158	11.7
111.08062	0.9
117.07028	1.5
119.08582	10.6
121.10147	8.9
123.11742	3.4
129.06874	0.7
131.08592	3.9
133.10136	7.7
134.70918	0.7
135.11670	4.9
137.13272	1.2
139.11169	0.8
142.07758	0.9
143.08614	1.5
145.06499	0.7
145.10118	7.5
147.11694	5.9
149.09561	1.0
149.13254	5.7
153.01825	11.3
153.02986	1.1
157.10088	3.1
158.10939	0.8
159.11696	5.6
161.13254	5.9
163.11122	0.8
163.14803	3.9
165.12729	0.7
169.10069	1.0
171.11694	1.9
173.05934	0.9
173.11893	0.6
173.13208	3.2
175.03790	0.6
175.14828	4.1
177.12674	0.8
177.16360	3.6
185.05927	0.8
185.13245	2.4
187.14839	5.3
189.12816	1.0
189.16353	3.9
191.14243	1.0
191.17957	1.5
193.65587	0.6
199.14851	1.6
201.16414	3.3
203.03427	1.4
203.17953	5.7
205.15891	0.6
207.17523	0.8
213.16376	1.6
215.14565	0.6
215.17987	2.5
217.19562	4.0
219.17316	0.8
227.17865	1.8
229.19533	0.8
231.17426	0.8
231.21059	0.8
233.15321	0.8
237.05447	2.6
241.19537	1.2
242.05763	0.6
243.06465	0.8
243.21025	1.2
245.15393	1.1
247.16986	0.6
251.07077	1.2
253.12360	0.6
255.06532	1.5
255.21272	0.9
257.22739	0.6
265.04907	3.1
269.04547	0.7
269.22742	0.8
279.06570	2.0
281.22519	0.7
283.06036	1.0
287.73688	0.6
293.04416	1.7
295.05954	1.6
297.03973	2.2
298.04697	1.7
307.06039	1.4
308.06650	1.4
310.04736	6.5
311.05487	100.0
312.05774	0.8
323.05490	13.4
324.06323	2.4
325.07031	12.4
327.23206	2.3
335.05444	3.3
337.06989	1.6
339.04944	1.1
349.07037	0.9
353.06555	26.8
353.24567	0.7
365.32135	0.9
368.41299	0.6
379.11856	4.1
405.13281	0.8
405.30865	0.9
405.35287	1.8
413.39996	0.7
423.08542	0.8
423.14404	12.4
423.20309	0.9
423.22961	0.7
423.32132	5.1
423.37131	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03284	1.1
53.03937	1.3
55.01868	2.2
55.05502	2.6
56.96566	1.8
57.03431	4.1
60.04499	1.1
61.02916	1.9
67.05491	3.6
68.38413	1.1
69.03423	6.7
69.07054	3.6
69.29617	2.2
69.30017	10.8
70.06597	6.1
71.04980	1.3
72.08160	1.7
79.05492	4.9
81.03419	4.5
81.07059	7.4
82.59848	1.1
83.04970	4.7
84.04510	2.7
85.00326	1.0
85.02903	14.1
85.06547	3.6
86.09712	2.4
87.04499	1.7
91.05479	5.6
91.24510	1.0
93.07071	6.4
95.04961	2.6
95.08609	9.7
96.46019	1.1
97.02898	3.7
97.06533	2.6
98.20786	2.5
98.97603	2.2
99.04433	2.4
101.06007	2.2
105.07028	11.7
107.04987	2.4
107.08609	13.1
109.02860	1.4
109.06515	5.0
109.10171	3.8
111.04443	1.1
111.08095	1.8
115.07573	1.8
116.07093	1.4
116.98641	1.9
117.07053	1.7
119.04878	1.2
119.08577	13.9
120.08057	1.6
121.06491	1.7
121.10134	9.0
122.07294	1.0
123.08074	15.9
123.11742	2.5
125.09663	1.8
127.03895	3.1
128.98579	1.9
129.06975	1.3
130.52397	1.0
131.08565	3.5
133.06473	3.3
133.10152	5.8
134.99614	2.4
135.08038	4.9
135.11717	3.0
137.05994	2.2
137.09624	8.1
137.13257	1.7
139.07545	1.4
140.34390	1.1
143.08607	1.2
143.69023	1.1
145.04968	2.7
145.10136	4.8
147.08051	4.2
147.11708	10.0
149.09610	27.4
149.10733	1.8
151.07544	8.7
151.11183	6.8
153.09142	2.6
156.08095	2.2
156.09364	3.2
161.09631	2.7
161.13251	13.2
163.11226	2.5
165.12741	5.0
170.94142	1.1
171.11699	4.9
174.10422	3.0
177.00700	1.6
179.14317	2.5
187.11201	1.3
189.12750	31.6
190.13182	1.4
207.10780	1.3
207.13808	51.8
225.14856	100.0
226.15253	3.5
234.98979	1.3
237.02707	2.7
243.15921	7.8
261.11411	1.9
317.06836	1.4
344.79422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01857	9.1
55.05506	11.2
56.05050	4.0
56.96566	7.8
57.03445	6.4
60.04516	9.8
61.02929	6.1
67.05499	11.6
68.59004	3.7
69.03432	21.7
69.07066	13.7
70.06584	18.1
70.59090	9.7
70.59446	9.1
71.04983	7.3
72.08158	12.1
73.02918	6.2
79.05499	7.9
81.03439	21.8
81.07042	15.2
83.04975	5.4
83.08575	4.6
84.08145	11.3
85.02905	38.1
85.06568	5.1
86.09705	14.2
91.05479	15.7
93.07035	19.5
94.73127	3.9
95.04967	7.0
95.08619	11.9
97.02887	15.4
97.06539	46.6
97.37417	3.9
98.06162	4.8
98.97597	8.8
99.04433	8.2
105.07036	27.6
106.02943	21.5
107.04960	7.3
107.08590	17.6
109.02879	8.8
109.06499	15.6
109.10164	10.2
116.01619	5.4
116.98609	10.3
117.07034	6.4
119.08585	39.0
120.08118	6.3
121.06550	6.4
121.10155	11.9
123.08029	5.7
124.03949	46.7
125.09671	7.7
127.03899	12.4
128.98640	5.3
131.08577	12.6
133.06506	4.8
133.10136	11.8
135.08047	57.6
137.02351	16.4
137.09587	9.0
143.08539	5.1
145.10168	10.9
147.04428	7.5
147.08047	7.6
147.11682	27.2
149.09622	26.2
149.13283	5.5
151.07625	4.4
152.89902	4.3
156.08086	16.3
159.11653	8.9
161.13258	18.7
165.09132	7.9
165.12733	5.9
167.10730	7.5
174.09094	9.3
177.00662	6.8
177.12715	21.5
179.14294	5.1
189.12807	27.0
195.13832	7.9
202.92607	4.7
207.13815	56.5
219.01833	7.0
225.14847	100.0
227.11737	8.2
231.08768	7.4
237.02850	9.5
241.09735	5.4
243.15894	10.4
250.07262	9.9
255.11351	14.1
260.09103	6.4
260.14908	13.8
268.08118	10.6
283.10730	7.1
301.11795	19.2
303.05069	7.0
331.03738	4.6
405.15738	5.6
422.24405	7.5
423.16772	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01878	12.3
55.05490	10.3
56.05055	7.9
56.96563	21.3
57.49276	10.7
60.50570	7.6
61.02910	13.0
65.87299	7.6
66.86105	8.0
67.05499	17.4
68.26635	7.5
69.03442	13.0
69.60926	28.5
69.61349	35.7
70.06596	70.1
71.04991	12.5
72.08150	30.7
75.62114	7.6
79.05496	27.1
81.03411	11.4
81.07059	22.6
84.04477	14.3
84.08135	24.7
85.02894	33.4
86.09702	46.6
91.05486	20.7
93.07045	10.5
93.48396	9.1
95.04980	11.7
97.06511	16.0
98.21554	9.9
99.04391	13.9
105.07032	27.4
107.04957	28.6
107.08599	9.3
109.02871	8.2
109.10165	35.0
116.98605	15.2
119.08582	21.3
120.08089	23.2
121.06422	9.6
121.10130	10.6
125.06006	13.4
129.10223	14.6
133.10146	18.0
137.05986	25.5
137.09628	49.9
143.08604	12.9
147.08041	16.9
151.03911	13.8
161.05974	11.7
161.09616	98.9
165.09122	100.0
167.07079	16.3
168.07785	8.2
174.05582	25.2
179.10722	13.3
181.04979	10.3
189.09103	16.6
197.09711	10.7
207.10165	89.8
225.07498	12.9
225.11212	47.4
263.95761	8.8
275.09570	13.2
315.29456	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	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.1
56.96568	42.1
57.03436	57.0
61.01156	3.7
62.61077	3.1
69.03421	14.1
69.07062	3.6
69.42200	20.1
69.42629	12.1
70.06580	10.7
74.06082	4.2
76.63992	3.5
79.05494	7.3
81.03414	7.9
81.07064	8.4
84.04501	4.5
84.08158	7.3
84.96038	11.0
85.02903	21.2
86.09707	11.2
87.00835	4.6
91.05482	6.6
93.07056	13.8
95.08608	6.0
97.02876	8.0
98.97577	25.8
105.01885	4.8
107.04938	4.8
109.02884	5.5
116.98611	20.7
120.08086	6.4
121.10130	51.1
127.03912	8.9
128.98616	6.0
134.99652	23.7
135.04379	3.3
137.05997	7.7
139.11188	100.0
143.00180	5.6
145.04962	7.6
146.99675	6.0
151.07523	5.0
152.98648	5.0
158.99661	5.3
161.01241	11.3
163.03864	6.4
170.99673	16.7
172.07564	3.3
172.22635	3.3
177.00771	11.3
189.00681	7.9
190.95372	7.8
201.00714	7.6
207.10211	3.5
211.02756	3.8
213.00584	4.1
219.01804	19.8
225.11145	4.2
229.03790	4.3
235.02785	3.8
237.02721	16.3
253.03706	4.7
257.08408	4.2
260.09232	22.8
261.02658	4.0
265.07431	5.7
267.09238	4.0
275.09628	14.3
293.10577	8.1
301.07590	6.1
305.01929	6.2
319.08606	9.3
345.03183	4.3
355.05206	6.2
373.06226	14.4
379.07089	4.5
399.04315	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	422.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78587	1.5
55.01857	3.1
56.05011	2.4
57.03410	3.3
58.99584	13.7
62.18778	1.7
67.05486	2.8
69.03417	3.5
69.07047	6.9
70.63555	6.1
74.00629	2.2
76.02224	74.7
76.03969	5.2
76.34087	1.6
79.05483	8.1
84.04498	28.4
85.02857	3.4
85.04012	5.2
86.99043	4.9
88.02178	2.3
92.01671	2.2
96.08147	1.6
97.01117	2.4
97.02876	1.8
97.06527	100.0
98.06776	1.9
113.03462	2.4
115.06757	1.5
116.01662	20.0
116.98602	1.8
122.06006	1.7
129.03697	5.1
129.10135	2.1
130.05008	22.2
131.04485	4.3
142.03212	6.6
144.01141	12.1
145.06056	2.6
154.06822	6.9
162.02187	38.5
172.07881	4.6
173.25883	1.6
174.58217	1.6
177.03267	14.3
179.04843	73.3
210.83035	1.8
231.04158	2.4
233.05862	19.0
245.05875	4.7
257.06989	2.5
257.09451	7.7
275.10583	6.2
291.06339	4.1
297.98978	1.8
308.09109	36.9
313.62393	1.6
334.08078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10521	1.8
60.04500	1.7
60.08172	9.2
67.04245	21.7
70.06586	7.3
71.05002	2.5
71.22952	4.1
71.99067	1.9
72.08148	1.7
80.30434	1.6
82.02955	1.8
84.04490	5.6
84.08133	2.5
85.02917	4.0
86.00646	2.6
86.09689	4.3
95.06093	4.1
97.02876	2.7
98.00652	3.7
111.05527	5.2
113.01720	12.5
123.04448	1.8
125.01715	37.5
125.16042	1.6
126.02455	6.5
126.04251	1.5
126.05495	4.7
127.03249	10.8
129.01175	1.9
134.99628	2.2
141.01158	7.9
142.01952	5.7
143.02733	17.6
161.02335	5.9
163.03889	15.9
165.00075	2.0
184.26782	1.7
192.99553	5.8
233.03761	2.1
237.02689	2.1
246.04497	3.1
247.05431	9.6
257.03748	3.1
259.05283	9.4
275.04785	15.0
285.03223	4.9
287.04831	24.2
289.02753	3.5
302.17117	2.3
303.04303	55.4
313.02942	3.0
319.07510	15.8
331.03741	2.0
335.06958	88.3
363.06439	100.0
364.06760	3.3
422.13867	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	422.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
51.02380	1.0
51.14046	0.4
51.45720	0.4
53.03939	2.3
55.01864	1.2
57.03428	1.5
64.07336	0.5
65.03923	1.2
67.39716	0.5
69.03432	8.0
70.06583	1.6
71.04982	1.0
71.05837	1.1
73.02919	1.1
78.03452	11.1
80.05015	2.6
81.03414	16.1
84.04486	0.5
84.08136	1.0
85.02897	5.3
86.09702	2.2
93.03416	0.7
93.07040	0.8
95.08569	0.7
96.04485	7.1
97.02890	4.3
97.06514	0.7
99.04449	2.2
106.02911	48.7
107.01351	0.5
109.02877	11.3
111.04440	4.2
116.98608	0.5
124.03949	100.0
125.04288	1.3
126.08820	0.4
127.03914	7.4
137.02338	88.6
138.02679	1.6
145.04950	0.8
155.03377	1.1
159.09247	0.5
166.04971	1.2
177.05490	0.6
179.67104	0.5
196.06032	1.3
208.06020	0.8
250.07089	25.3
251.07379	0.7
268.08151	66.1
269.08389	1.8
272.07584	0.6
293.45657	0.6
386.08710	2.9
400.68527	0.6
404.09695	15.3
422.10724	14.8
423.11551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49112	1.2
55.05504	1.5
56.96565	100.0
57.03423	2.5
57.38624	1.1
67.05493	2.7
67.64584	1.6
69.03423	1.8
70.06583	2.8
71.60481	2.1
71.95284	1.4
72.04512	2.5
74.97605	2.0
79.05486	2.2
81.03404	2.7
81.07044	4.3
83.08619	1.4
84.96031	2.4
85.02885	5.4
86.09682	1.6
87.00815	1.5
91.05473	2.3
93.07048	2.0
97.02884	2.6
97.06528	1.8
98.97573	1.8
100.11285	1.2
104.11250	1.2
105.07037	4.6
109.02866	1.8
114.09121	1.5
116.98590	2.4
117.06989	1.7
119.08607	1.4
120.08114	1.3
121.10124	5.3
127.03925	1.6
133.10127	2.7
134.99657	1.5
136.92218	1.4
139.11157	9.7
143.08569	1.3
145.10130	5.5
147.11682	2.0
154.93292	2.8
156.13843	3.0
161.01204	9.6
172.94266	11.9
174.14996	1.7
179.02280	3.1
183.03200	1.4
183.11713	2.3
190.95332	30.6
208.96338	4.2
209.04819	1.7
217.12213	1.5
219.03284	1.8
219.06902	1.8
221.04903	1.5
225.04303	1.9
225.11266	2.2
229.05363	5.5
231.03349	2.0
231.06900	4.2
233.04895	6.9
234.01949	2.0
235.02734	2.7
235.06413	3.3
237.04346	3.5
245.04881	6.5
247.06425	28.6
249.02065	1.6
249.04312	9.3
249.07991	37.1
250.08331	2.2
251.05852	15.0
255.06868	1.8
257.08505	13.6
259.06311	2.0
260.09247	2.4
261.04318	4.6
263.05988	10.8
265.07480	27.7
266.07687	2.1
267.05524	3.7
267.09039	28.9
268.09488	1.5
269.06924	3.3
271.06451	2.4
272.09518	2.0
273.08002	10.0
274.05151	2.6
275.09531	75.2
276.09763	1.6
277.07523	4.5
279.05469	2.7
281.06857	6.0
283.08618	1.7
287.05847	1.9
289.07401	11.1
291.08987	6.9
293.07281	2.4
293.10583	40.6
298.11124	3.6
301.07422	13.9
303.04947	1.4
305.06924	2.1
307.08514	13.3
313.00259	1.3
316.12146	1.7
319.08514	37.2
324.09097	1.5
327.02133	12.3
329.03836	2.2
331.01666	3.1
337.04047	4.4
337.09579	12.8
342.10458	1.5
345.03143	27.7
355.05194	52.1
356.05643	1.8
368.04510	1.8
371.04773	7.3
373.06274	86.2
374.06470	3.6
378.06787	5.8
381.02997	7.4
396.07721	4.3
399.04218	58.7
400.04507	2.9
417.05255	14.0
422.05820	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	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04351	0.4
51.02366	0.6
53.03947	1.6
53.88496	0.5
55.05511	9.2
56.96573	0.6
57.07081	2.6
57.07317	0.6
58.60788	0.4
65.03931	1.4
67.05505	24.2
69.03439	0.5
69.06710	0.9
69.07071	12.7
71.04985	0.6
71.08625	0.5
71.59593	0.9
77.03948	0.6
78.18491	0.5
79.05492	13.8
81.03440	1.2
81.07059	45.4
83.04980	3.6
83.08614	5.9
85.06508	0.5
89.92622	0.4
91.05478	16.5
92.05858	0.5
93.07048	35.4
95.04971	3.6
95.08608	63.4
96.08942	0.8
97.06534	2.9
97.10167	3.7
103.05483	1.3
105.06284	0.9
105.07034	44.6
107.08595	46.6
109.06538	2.9
109.10158	46.5
111.08090	3.7
111.11718	1.1
115.05479	1.2
117.07015	7.2
119.08581	49.4
121.06498	0.5
121.10146	34.6
123.08083	1.6
123.11710	11.9
123.38273	0.4
125.09625	1.7
127.11226	0.5
128.06213	1.2
129.06970	3.6
130.07811	2.2
131.08569	19.7
132.24152	0.5
133.10133	33.7
134.10512	0.5
135.08070	1.3
135.11693	16.0
137.06000	1.8
137.09666	0.8
137.13264	2.8
139.11177	0.9
141.06964	1.0
142.07796	2.2
143.08565	10.2
144.09416	2.3
145.10126	40.7
146.10934	0.5
147.11687	27.0
149.09642	1.0
149.12106	0.5
149.13257	14.3
151.11200	1.2
155.08534	2.9
156.09367	2.0
157.08792	0.7
157.10135	15.4
158.10910	2.3
159.11696	41.2
160.12267	0.9
161.13255	19.1
162.13669	0.6
163.11185	0.9
163.14827	7.9
163.16083	0.8
165.07039	0.8
165.12750	1.0
167.08604	0.8
169.10123	4.8
170.10915	2.0
171.11696	13.6
172.12398	1.5
173.11731	1.2
173.13264	25.2
174.13693	0.5
175.11285	0.7
175.14833	15.5
177.12790	2.5
177.16393	12.2
179.14323	1.3
181.10162	1.5
182.10956	0.7
183.11696	4.0
184.12450	1.0
185.13272	11.2
186.14023	1.5
187.14828	15.5
189.12813	0.7
189.16388	17.7
189.18109	1.0
190.16853	0.6
191.14328	1.8
191.17981	4.6
193.15869	2.6
195.11690	1.8
196.12450	1.3
197.13249	6.0
198.13907	0.6
199.14825	10.9
200.15393	0.5
201.16388	28.4
203.14349	1.6
203.17963	16.0
205.15862	7.8
205.19403	0.7
207.11783	1.1
207.17497	1.3
209.13264	2.1
211.14790	3.7
213.16397	10.8
215.14670	0.9
215.17963	20.8
217.15926	4.3
217.19472	5.2
219.17450	4.4
223.14931	1.6
224.15549	0.9
225.16420	3.7
227.17935	5.9
229.15976	0.6
229.19473	6.3
231.17470	2.7
231.21091	1.0
233.19052	2.1
237.16341	1.7
239.17909	3.8
241.19516	4.3
243.17490	1.3
243.21162	3.0
245.19051	3.8
251.17996	1.7
253.19592	3.1
255.17491	0.5
255.18434	0.5
255.21094	4.4
257.18933	2.4
257.22791	1.3
259.20572	2.2
265.08701	0.5
265.19507	1.4
267.21039	4.7
269.19070	1.4
269.22690	3.6
271.20538	2.8
271.24301	0.7
273.22226	0.8
273.90701	0.5
279.21136	1.5
281.22610	2.4
283.20667	1.5
283.23999	0.5
285.22211	2.1
285.26013	0.6
293.22668	1.7
295.24161	3.5
297.22244	1.7
299.23837	1.2
307.24274	1.2
309.22232	0.7
309.25784	1.0
311.23853	2.4
313.25198	2.5
321.25897	0.9
325.25330	1.1
327.26624	2.4
329.21472	0.6
333.25793	1.1
337.25195	0.7
339.26605	0.6
351.27008	1.7
361.29114	0.7
363.30460	2.6
365.28574	0.7
375.30603	0.6
379.30075	0.9
393.35480	0.7
403.33664	8.2
421.34732	100.0
422.35040	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01874	4.1
55.05513	17.8
57.03439	10.7
57.07082	9.6
63.50565	1.8
65.03954	1.9
67.05504	29.3
69.03437	2.8
69.07067	33.4
71.04990	5.4
71.08644	2.4
79.05497	19.9
81.07054	38.7
83.04975	7.0
83.08615	8.2
85.06546	5.4
85.47797	1.7
86.91433	1.7
91.05470	17.1
93.07041	30.6
94.84689	1.8
95.04960	8.1
95.08607	31.6
97.06533	12.6
97.10189	3.4
98.20681	3.3
104.99269	4.4
105.07024	12.6
107.08589	26.1
109.06515	20.1
109.10176	12.2
111.04433	10.2
111.08077	5.5
117.47366	2.1
119.08597	11.1
121.06487	3.1
121.10155	12.0
123.08102	13.5
123.11696	5.6
125.06000	7.7
129.07024	2.3
131.08565	5.8
133.10117	10.2
135.08046	22.1
135.11696	14.0
137.05974	17.6
137.09633	2.3
137.13229	2.8
139.07521	3.3
143.08606	4.5
145.10135	6.4
147.11670	8.3
149.09604	4.2
149.13249	4.8
151.07556	10.3
151.11247	2.3
153.12778	4.7
157.10072	4.2
159.11670	4.4
161.09641	3.5
161.13283	4.4
162.03062	2.0
162.77483	1.7
163.11177	5.8
163.14854	2.1
165.12770	5.7
167.14307	2.6
171.11734	4.5
172.95227	3.0
173.13248	2.7
177.12802	6.9
179.14331	5.6
181.12254	6.8
184.04333	4.1
185.13235	2.4
187.14873	3.1
191.14351	1.6
193.04918	2.4
193.12263	2.2
208.70433	2.2
217.14233	2.3
221.18991	6.4
228.22873	1.8
229.61601	2.4
235.20502	5.3
243.04263	1.9
263.20163	2.7
272.66586	1.9
274.97571	2.1
277.21631	2.3
287.23740	2.2
303.26880	1.8
305.24744	85.3
306.24960	2.0
319.26334	27.6
329.21140	3.7
329.24567	8.9
338.96878	4.6
343.18109	1.9
347.25815	100.0
348.26236	3.5
356.97656	2.7
363.19321	4.8
365.26926	11.8
393.29846	6.5
403.28836	4.0
421.23691	9.0
421.29489	52.5
421.35025	2.5
421.78381	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.8
55.05518	13.6
55.58931	1.8
57.03432	15.4
57.06866	1.8
57.07078	21.2
65.78445	1.6
67.05502	23.9
69.06771	2.0
69.07071	23.6
71.04997	3.9
71.08632	2.5
71.59585	2.5
73.27758	1.7
79.05492	19.5
81.07053	39.1
83.04982	3.3
83.08601	7.9
85.06542	12.5
87.23127	2.0
91.05463	12.2
93.07032	27.7
95.04947	3.5
95.08605	30.9
97.06520	9.1
98.98489	2.5
99.48983	1.9
103.16895	1.8
105.07028	15.8
107.08590	33.7
109.06508	20.7
109.10160	17.8
111.04434	4.2
111.08089	6.6
117.06997	2.0
119.08598	12.7
121.06482	3.6
121.10143	11.7
123.08060	12.6
123.11713	3.9
125.05986	4.9
125.09635	2.0
129.07018	3.3
131.08548	4.3
133.10153	11.9
135.08044	34.6
135.11697	11.1
137.05989	24.7
137.13330	2.3
138.06737	2.1
139.07591	2.2
143.08562	2.7
145.10101	8.1
147.08044	1.9
147.11687	7.7
149.09605	5.6
149.13239	3.4
151.07552	9.1
151.11151	5.4
155.00969	1.9
157.10133	5.2
159.11697	9.4
161.09604	5.9
161.13257	4.3
163.11186	5.3
163.14804	3.0
165.12785	9.0
167.14287	3.0
171.11652	1.9
172.95345	2.8
175.11183	4.2
175.14851	3.3
177.12750	9.3
179.14316	4.9
181.12299	3.6
183.04797	1.8
187.14841	3.5
189.16324	3.4
193.12222	4.1
195.13905	1.9
199.14877	3.2
201.16417	3.1
203.18018	3.1
205.15799	2.6
207.13779	7.4
213.16441	2.2
221.19061	2.6
225.01387	2.2
225.16370	2.0
259.16840	2.0
259.20248	2.0
263.20001	4.5
287.23779	2.0
301.25226	2.2
305.24747	42.0
319.26346	21.1
329.24750	7.6
337.27423	4.9
339.19189	5.1
339.25781	2.3
347.25812	100.0
348.25885	2.0
365.26669	13.4
393.30023	9.8
403.28549	4.7
408.39368	2.1
421.25043	3.0
421.29459	60.2
421.34680	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	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60799	1.5
51.95526	1.7
55.01871	2.3
55.05502	7.0
57.02263	2.0
57.03436	9.5
57.07076	33.8
65.03949	2.3
67.05505	14.1
69.03446	2.2
69.07070	16.0
69.29961	19.7
71.08623	3.1
79.05484	10.8
81.07059	30.5
83.04975	4.9
83.08608	6.3
85.06544	15.9
91.05477	12.4
93.07044	18.3
95.04985	3.9
95.08601	19.2
97.06548	5.1
97.10165	2.6
98.21487	4.0
104.99280	4.2
105.07044	12.3
107.08596	18.0
109.06496	14.5
109.10166	7.6
110.00858	1.9
111.04456	3.3
111.08096	3.7
119.08581	8.7
121.06483	4.2
121.10178	9.6
123.08073	11.3
123.11695	4.2
125.06004	3.4
131.08591	2.9
133.02832	2.2
133.10127	10.1
135.08035	14.9
135.11662	5.8
137.05946	20.7
137.13289	3.3
138.96951	1.8
139.07590	2.5
143.08539	3.6
145.10141	5.9
147.11674	6.1
149.09642	4.8
149.13216	4.6
151.07603	9.2
151.11166	3.5
157.10245	3.1
159.11696	5.4
161.09679	2.5
161.13200	2.5
163.11206	3.0
165.09192	2.5
165.12718	7.7
171.11763	2.5
175.11293	2.4
175.14903	2.8
177.12750	7.6
179.14308	3.8
185.13226	2.8
193.12306	2.1
201.16385	2.0
207.13757	11.6
209.95148	1.8
222.17561	1.9
223.15068	2.0
233.19023	3.6
253.06931	2.1
263.20044	3.9
274.97464	2.5
305.24734	3.5
316.25790	1.9
319.26337	16.3
329.24722	5.3
337.27280	6.0
338.96762	3.1
347.25790	100.0
365.26797	18.1
393.30142	14.8
403.28656	2.8
421.29749	55.4
421.35138	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05505	9.5
57.03436	10.9
57.07072	33.1
67.05228	0.9
67.05505	12.2
69.03439	1.2
69.07063	11.2
71.04986	1.6
71.08616	1.1
79.05492	9.0
81.07055	24.6
83.04960	3.9
83.08599	5.7
85.06539	17.9
88.96376	1.0
91.05460	6.9
93.07030	12.1
95.04945	3.6
95.08601	16.4
97.06533	4.5
104.99271	2.6
105.07008	7.5
107.04968	1.6
107.08578	16.8
109.06496	12.8
109.10165	6.4
111.04438	3.1
111.08066	4.0
115.54575	1.1
119.08594	8.3
121.06480	3.0
121.10132	8.6
123.08055	9.9
123.11704	3.2
125.05980	1.6
129.07007	2.0
131.08569	2.9
133.10146	6.5
135.08055	19.0
135.11702	5.1
137.05971	24.5
137.09604	1.7
137.13264	1.5
139.07497	2.3
143.08562	1.3
145.10107	4.9
147.04318	1.8
147.08046	1.9
147.11678	4.4
149.09648	3.9
149.13321	2.2
151.07477	5.1
151.11171	3.6
153.12779	1.6
156.09322	1.4
157.10132	3.3
159.11696	3.3
161.09602	2.8
161.13217	2.5
163.11229	2.0
165.09102	2.2
165.12755	9.3
171.11636	2.0
173.13211	1.2
175.11139	2.1
177.12633	5.1
179.10820	1.2
179.14330	4.5
187.14832	1.3
189.16428	1.6
193.12286	2.7
195.13680	1.1
207.13777	7.8
233.18930	2.7
263.20004	5.9
277.18021	2.2
319.22751	2.0
319.26263	14.1
329.21219	2.2
329.24820	4.2
335.15356	2.1
337.27328	5.2
338.96652	2.2
347.25784	100.0
348.26254	1.7
365.26874	20.4
365.31311	1.5
393.29910	11.7
403.28552	2.9
421.29517	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33294	0.3
64.37925	0.3
65.03922	0.4
68.82883	0.3
70.10577	1.6
71.04968	0.5
77.57851	0.3
84.08143	1.1
85.02899	0.7
87.99223	0.3
88.50285	0.3
91.05476	2.6
98.21422	0.5
102.39867	0.3
107.05012	0.3
110.09645	0.3
112.11241	3.7
119.04944	12.2
120.05315	0.3
122.03585	0.3
129.13896	2.5
147.04405	100.0
148.04753	2.4
155.11777	2.3
204.10197	72.5
205.10522	2.6
255.42709	0.3
272.54059	0.4
275.09250	0.4
275.17542	12.7
275.20584	0.7
276.17953	0.7
285.04428	0.3
350.15967	3.3
421.23318	69.0
422.23654	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	34.7
57.03395	11.0
64.59947	8.0
66.79948	7.5
67.05499	64.5
67.61942	7.7
69.07052	27.9
70.24208	32.9
71.04970	7.9
79.05490	63.1
79.19138	6.4
81.03388	10.8
81.07055	75.2
83.04970	12.9
83.08604	28.4
85.06563	9.6
91.05470	87.3
93.07043	99.7
95.04959	58.6
95.08595	100.0
97.06539	23.0
97.10159	14.5
98.21410	7.7
99.08088	8.4
105.07024	59.9
107.04944	23.3
107.08611	37.9
109.06503	10.0
109.10140	30.1
111.08027	7.3
117.07005	22.5
119.08570	54.7
121.06498	26.3
121.10139	27.3
123.08077	15.0
124.66357	8.2
129.06956	23.9
131.08517	19.7
133.10103	28.3
135.11682	13.6
137.09587	14.2
137.13293	9.3
141.06984	8.4
143.08527	14.6
145.10133	22.8
147.11703	38.3
155.08592	9.3
157.10109	11.8
159.11653	15.1
161.09622	10.4
161.13240	48.0
161.89966	8.1
163.11189	10.7
167.08687	7.1
168.13000	7.7
169.10110	8.0
171.11670	38.8
175.11208	9.5
177.12813	9.8
179.14290	15.8
185.13245	8.1
189.11227	10.2
189.12785	15.6
203.10783	7.6
207.13788	36.6
225.14839	12.8
311.20016	13.0
329.21094	79.8
347.21982	9.8
403.24860	34.1
421.25562	50.3
421.34778	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01851	1.1
55.05512	4.1
57.03423	1.6
57.07069	1.6
65.03928	1.3
65.75899	0.7
67.05511	4.6
67.05816	0.9
67.69020	0.7
69.03432	7.0
69.07070	3.8
70.05782	0.7
70.06115	4.3
71.04994	2.0
71.08628	1.7
73.06551	1.6
79.05486	7.1
81.03427	4.2
81.07055	7.9
83.04977	2.6
83.08613	1.2
85.02909	3.2
87.00832	2.1
89.06120	0.8
91.05480	8.1
93.07047	5.0
95.04964	3.0
95.08602	3.0
97.02902	3.1
97.06530	1.7
98.21437	0.8
99.04462	1.9
99.08101	2.4
105.07037	9.2
107.04942	7.1
107.08593	19.8
109.02882	5.7
109.06516	2.6
109.10148	7.6
111.04423	1.0
115.05437	1.4
117.06997	2.3
119.08568	4.4
121.06523	2.1
121.10137	10.8
122.07279	6.3
122.75886	0.7
123.08085	1.3
127.03916	14.3
131.08521	3.8
133.10127	100.0
134.10471	1.5
135.08041	7.5
135.11667	1.6
137.09613	58.5
138.09967	1.0
143.08530	1.5
145.04921	1.1
145.10120	1.4
147.11710	2.3
148.07562	0.9
149.09630	3.3
149.13266	8.2
155.14293	2.1
158.10939	2.0
173.02376	1.5
173.13255	6.4
191.14305	46.6
192.14653	2.1
213.03947	3.5
215.07059	2.1
215.14177	0.8
217.16768	0.8
231.04985	3.2
239.85226	0.8
255.11314	1.4
256.47107	0.8
259.09665	2.0
280.11765	1.1
301.11871	2.8
317.17383	1.2
395.04599	0.8
403.17642	1.1
421.18420	2.0
421.24463	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01859	3.5
55.05503	2.6
57.07066	2.1
59.04982	3.1
61.23150	1.1
64.88840	1.2
66.27592	1.3
67.05490	3.4
68.99789	1.9
69.03405	4.2
69.06719	1.6
69.07069	21.5
71.60458	1.9
79.05492	6.1
81.03405	5.8
81.07034	4.2
83.04967	2.4
83.08576	2.6
85.02888	4.8
86.09699	1.4
87.00827	3.3
91.05469	9.1
93.07047	17.9
95.04945	5.6
95.08595	6.4
97.02871	5.7
97.06541	6.3
99.04462	2.1
103.07562	2.1
105.07014	10.0
107.04943	6.7
107.08599	15.8
109.02871	5.0
109.06508	1.7
109.10120	3.1
111.04424	2.0
111.08084	1.4
113.09658	1.2
117.06995	3.4
119.04858	1.8
119.08571	8.8
121.06496	19.6
121.10145	13.3
123.08097	2.3
127.03912	6.2
129.06923	1.5
131.08574	8.3
133.06447	3.0
133.08606	2.1
133.10129	11.6
135.08067	10.1
135.11671	5.1
137.05956	1.9
137.09578	3.5
143.08546	2.7
145.10115	5.2
146.85611	1.3
147.08063	2.5
147.10493	2.2
147.11681	40.3
148.11899	1.9
149.05975	1.9
149.09586	5.7
149.13254	9.7
151.07472	1.5
158.10893	2.5
159.08018	1.9
159.11734	2.9
161.05891	1.6
161.09624	8.4
161.13255	2.3
163.03931	1.9
163.11200	3.1
163.14865	1.6
173.02342	2.6
173.09650	1.8
173.13260	10.5
175.11099	2.0
176.11955	1.9
177.12689	2.5
185.13164	2.5
187.11292	1.6
187.14757	2.0
189.12772	4.9
191.14296	100.0
192.14685	2.4
193.12183	2.3
203.14282	7.3
213.12830	1.4
215.07005	2.6
215.14294	5.1
231.13882	1.5
231.34955	1.4
233.15363	1.6
238.25273	1.4
241.08716	1.8
257.15430	3.0
259.09622	2.3
271.14285	1.6
273.14825	4.0
299.16330	4.0
317.17410	2.8
335.18512	3.6
403.17487	5.9
421.18347	5.0
421.24283	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	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	0.5
55.05518	2.6
56.96557	1.0
57.03430	0.7
57.07065	0.4
61.02924	0.8
65.03925	0.9
67.05500	4.1
68.99782	0.8
69.03074	0.5
69.03429	8.4
69.07059	2.2
71.01357	0.4
71.04990	1.0
71.21059	1.0
72.08165	0.5
77.92883	0.4
79.05488	7.8
81.03415	3.5
81.07052	8.3
83.04985	2.8
83.08592	0.8
85.02924	3.3
85.06519	0.6
86.09681	0.5
87.00835	2.4
91.05475	7.0
93.07049	5.1
95.04967	2.0
95.08610	2.4
97.02894	4.1
97.06523	3.4
98.97590	0.5
99.04440	1.0
103.05479	0.4
105.01862	0.8
105.06374	0.7
105.07032	9.1
107.04929	4.3
107.08594	21.5
109.02871	4.5
109.06516	2.9
109.10157	7.4
111.08063	0.5
115.05447	1.7
116.98592	0.7
117.07027	2.7
118.07769	0.4
119.06071	0.4
119.08576	5.1
119.36250	0.4
121.06511	1.9
121.10144	11.8
122.07285	7.4
122.10448	0.4
123.08070	1.6
127.03920	14.8
129.06987	0.7
131.08578	3.4
133.10126	100.0
134.10501	1.9
135.04407	0.6
135.08052	8.3
135.11693	1.3
137.09612	55.7
138.09975	0.6
143.08559	1.3
145.04982	1.4
145.10101	1.9
147.11668	2.6
149.09628	3.4
149.13268	7.7
157.10214	0.5
158.10934	1.3
159.11606	0.5
161.02328	0.6
161.09607	0.5
163.03888	1.4
163.14821	1.3
171.11626	0.6
173.02345	1.6
173.13266	6.6
175.11200	0.6
177.00687	0.4
187.14711	0.4
189.12752	0.4
191.14304	44.3
192.14590	0.6
201.12682	0.6
213.03938	4.1
215.07031	3.0
217.12187	0.5
222.22626	0.4
231.04938	1.9
231.13927	0.6
243.13969	0.4
253.11107	1.0
254.11455	0.7
257.15387	0.4
259.09677	0.7
271.12073	1.2
299.16257	0.9
313.13110	0.4
317.17313	1.2
335.18521	1.0
403.17651	0.9
415.16446	2.8
416.16840	2.0
417.16586	0.7
421.18646	1.2
421.24323	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	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	0.5
55.05518	2.6
56.96557	1.0
57.03430	0.7
57.07065	0.4
61.02924	0.8
65.03925	0.9
67.05500	4.1
68.99782	0.8
69.03074	0.5
69.03429	8.4
69.07059	2.2
71.01357	0.4
71.04990	1.0
71.21059	1.0
72.08165	0.5
77.92883	0.4
79.05488	7.8
81.03415	3.5
81.07052	8.3
83.04985	2.8
83.08592	0.8
85.02924	3.3
85.06519	0.6
86.09681	0.5
87.00835	2.4
91.05475	7.0
93.07049	5.1
95.04967	2.0
95.08610	2.4
97.02894	4.1
97.06523	3.4
98.97590	0.5
99.04440	1.0
103.05479	0.4
105.01862	0.8
105.06374	0.7
105.07032	9.1
107.04929	4.3
107.08594	21.5
109.02871	4.5
109.06516	2.9
109.10157	7.4
111.08063	0.5
115.05447	1.7
116.98592	0.7
117.07027	2.7
118.07769	0.4
119.06071	0.4
119.08576	5.1
119.36250	0.4
121.06511	1.9
121.10144	11.8
122.07285	7.4
122.10448	0.4
123.08070	1.6
127.03920	14.8
129.06987	0.7
131.08578	3.4
133.10126	100.0
134.10501	1.9
135.04407	0.6
135.08052	8.3
135.11693	1.3
137.09612	55.7
138.09975	0.6
143.08559	1.3
145.04982	1.4
145.10101	1.9
147.11668	2.6
149.09628	3.4
149.13268	7.7
157.10214	0.5
158.10934	1.3
159.11606	0.5
161.02328	0.6
161.09607	0.5
163.03888	1.4
163.14821	1.3
171.11626	0.6
173.02345	1.6
173.13266	6.6
175.11200	0.6
177.00687	0.4
187.14711	0.4
189.12752	0.4
191.14304	44.3
192.14590	0.6
201.12682	0.6
213.03938	4.1
215.07031	3.0
217.12187	0.5
222.22626	0.4
231.04938	1.9
231.13927	0.6
243.13969	0.4
253.11107	1.0
254.11455	0.7
257.15387	0.4
259.09677	0.7
271.12073	1.2
299.16257	0.9
313.13110	0.4
317.17313	1.2
335.18521	1.0
403.17651	0.9
415.16446	2.8
416.16840	2.0
417.16586	0.7
421.18646	1.2
421.24323	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57138	0.4
55.05504	0.7
56.05037	0.7
56.96557	1.2
57.03437	0.9
60.04536	0.5
61.02924	0.9
67.05481	0.8
69.03429	2.2
70.06596	5.2
71.05003	1.2
71.06911	0.6
71.59449	0.5
72.08156	1.1
73.02923	1.1
74.06061	0.5
79.05495	0.9
81.03422	1.2
81.07057	1.0
82.00446	0.4
83.83882	0.4
84.04510	2.0
84.08165	0.9
85.02419	0.7
85.02903	9.5
86.09737	2.5
91.05482	1.3
93.07045	1.5
95.04972	0.9
95.08601	1.1
96.04502	0.5
97.02900	2.7
98.97591	0.5
102.05528	0.8
105.07036	16.5
107.04935	0.9
107.08589	1.2
109.02873	0.9
109.06472	0.5
110.07117	0.6
115.03948	0.4
115.05440	0.6
116.98621	0.7
117.07056	2.1
119.04951	0.6
119.08585	54.6
120.08102	1.8
120.08922	1.0
121.10128	1.1
123.08043	0.4
124.03970	2.9
127.03906	1.8
129.06978	0.6
129.10248	0.9
131.08551	3.8
133.10129	1.0
134.99644	0.6
136.07541	0.6
137.05966	0.9
144.09329	0.7
145.04956	1.0
147.04500	0.5
149.06006	0.5
149.13275	0.6
151.03954	0.6
153.09111	1.2
157.10205	0.9
159.11697	100.0
160.12024	1.9
161.13252	3.0
177.12766	8.9
195.13826	4.3
205.12241	23.8
223.13303	7.0
241.14316	3.1
268.08252	1.0
287.05502	0.5
288.05798	0.9
294.06189	1.1
403.06714	1.0
420.08932	2.9
421.24115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.48809	0.5
55.01870	0.6
55.05498	1.0
56.96541	0.8
57.07068	1.1
67.05504	3.1
69.03427	1.8
69.07065	1.7
71.59584	0.4
71.60019	0.6
75.92075	0.4
79.05492	6.6
81.03412	1.7
81.07053	100.0
82.07382	1.4
85.02905	4.0
87.00833	1.2
93.07043	1.0
95.05006	0.6
95.08601	11.9
97.02892	1.8
97.06509	0.5
98.03360	0.4
99.04424	0.8
105.01864	2.4
105.02495	0.4
105.07037	0.5
107.08579	0.4
109.02877	1.5
116.98537	0.5
119.08609	0.7
127.03915	3.1
132.59683	0.5
137.13248	20.1
144.09238	0.5
145.04953	1.8
146.74161	0.5
159.02956	0.8
174.17590	0.4
185.58952	0.4
231.05096	1.0
245.86728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02714	0.9
56.05038	1.1
57.03436	18.7
58.76746	1.0
59.04991	1.3
60.04509	1.1
61.02935	6.5
65.03929	2.2
69.03073	1.8
69.03429	26.7
69.07087	1.1
70.06582	4.1
71.26456	1.7
73.02916	33.9
81.03408	1.8
81.71664	0.9
84.04491	1.3
84.08131	1.7
85.02420	2.0
85.02904	33.2
86.09695	4.1
87.04465	10.3
87.10009	1.2
90.42223	1.1
91.05480	100.0
92.05823	1.3
97.02892	42.0
99.04420	1.5
105.07014	3.4
107.04922	2.0
107.27916	1.0
109.02859	3.1
115.03928	33.7
117.06997	2.2
119.04939	3.0
123.04450	1.1
127.03909	9.5
129.07018	1.9
129.10193	1.4
131.08553	1.2
132.06551	1.4
133.04971	18.3
133.06485	3.4
137.05966	2.0
145.04970	10.3
145.06097	1.6
145.06454	1.6
147.04443	1.8
147.08043	1.4
149.85992	1.1
150.07602	5.9
151.07530	1.3
157.06424	1.4
161.04524	2.3
163.05963	3.3
171.08102	1.9
175.07594	2.3
179.07068	2.0
181.04904	1.1
187.07558	1.7
217.08604	2.9
223.06100	1.7
223.09576	1.6
235.09660	2.2
241.07153	3.0
247.77568	1.1
253.10718	3.3
259.08170	1.8
270.34412	1.1
295.10202	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03934	0.9
55.01865	1.0
55.05523	0.5
57.03415	0.9
60.41480	0.4
67.51943	0.4
69.03426	5.7
69.07033	0.5
69.58206	1.2
69.58618	2.5
70.06578	1.8
71.01330	0.4
71.04993	0.8
72.08160	0.6
73.02935	0.9
76.71638	0.5
78.03450	9.8
79.05481	1.3
80.05013	3.1
81.03416	9.3
81.03854	0.4
84.08151	0.9
85.02901	7.1
86.09695	2.7
91.05448	0.8
93.07019	0.6
93.52941	0.5
95.04945	1.0
95.08621	0.6
96.04500	6.4
97.02884	5.1
98.21475	0.9
99.04446	2.0
102.27443	0.5
106.02911	42.1
107.04953	24.5
107.05683	0.8
107.08620	0.6
109.02872	7.3
111.08129	0.4
119.08592	0.7
120.08109	0.8
121.10112	0.6
124.03949	100.0
125.04305	1.7
127.03912	4.9
129.10272	0.6
131.08574	0.7
140.03365	0.5
145.05020	0.7
160.01706	0.5
163.11165	0.4
173.13475	0.5
184.48155	0.4
190.12976	0.6
196.06044	0.9
250.07074	15.9
268.08154	35.1
269.08594	1.0
361.98672	0.5
373.13934	1.0
374.12244	3.1
402.12045	1.2
420.12888	40.5
421.12964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08953	0.5
51.83612	0.5
56.96563	95.0
60.79156	0.5
63.55284	0.5
70.06592	1.7
71.95269	3.0
74.97281	0.9
74.97652	2.3
81.07040	0.6
84.96046	1.3
86.09710	1.6
91.05496	0.6
92.98677	0.7
95.04951	0.5
98.20750	1.0
98.97607	1.1
99.04485	0.6
107.08559	0.5
112.99152	1.3
115.00698	12.8
116.98616	1.0
131.00172	6.8
131.08566	0.5
133.01730	25.8
133.02744	1.3
134.99663	1.5
141.02261	1.5
146.99623	0.7
148.00455	1.0
148.78575	0.6
149.01237	8.9
151.02779	6.6
151.03897	1.0
156.03264	0.9
157.01822	0.6
159.03331	3.1
159.08090	0.9
167.02292	0.9
171.08110	0.7
175.02771	1.2
177.00728	1.1
177.04340	0.8
183.03268	1.9
189.02237	1.8
193.01616	0.6
194.74687	0.5
194.96347	2.8
197.01227	0.9
197.02814	0.7
201.04353	1.3
205.65111	0.5
207.03299	9.2
211.02754	1.6
212.97398	26.5
215.03751	5.0
217.01685	3.0
219.03296	2.8
221.01271	3.8
221.04794	1.4
225.04312	4.9
229.05467	3.1
230.98465	7.6
231.03322	0.9
231.07004	1.0
233.04848	52.5
234.05255	1.7
235.02762	30.7
235.98984	1.9
236.03166	1.7
237.04301	1.9
238.04814	0.5
239.02254	1.9
239.05876	1.9
245.04919	1.3
247.02779	7.6
247.06404	4.6
248.03407	0.8
249.04320	2.2
249.07970	1.2
251.05913	46.0
252.06305	1.2
253.03810	20.8
255.06914	5.5
256.06476	2.7
257.04807	1.6
258.04596	1.1
261.04352	2.0
262.01401	0.8
263.05942	1.6
265.03900	6.6
265.07294	4.1
267.05365	0.7
269.04605	0.9
269.07211	1.2
271.06583	2.9
272.03391	1.0
273.07962	59.5
274.07791	3.7
275.05832	2.6
276.05673	0.6
279.05261	1.3
287.06000	4.1
288.05969	1.3
289.07474	6.4
290.04568	1.5
291.09027	34.9
292.09387	2.1
296.09457	5.0
305.06903	3.9
307.08524	3.2
309.10086	1.0
314.10608	1.9
317.06976	1.9
325.09299	1.0
325.45242	0.6
335.02472	6.5
335.08182	1.0
336.03366	0.6
353.03647	61.1
354.03973	2.2
371.04706	100.0
372.05035	4.6
376.05273	7.0
385.05762	0.9
389.05725	2.2
394.06311	5.0
397.02783	0.6
402.14609	0.7
415.03735	10.6
417.07977	0.8
424.63855	0.5
433.04776	8.6
438.05273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	17.7
57.03439	1.2
58.06601	4.8
64.23027	0.8
67.86224	0.8
69.07059	2.6
70.03026	0.9
70.06592	1.0
70.98705	2.0
70.99029	0.9
74.06079	100.0
76.04030	1.2
79.84345	0.8
84.04503	60.5
85.02882	2.1
86.06096	1.0
86.09704	91.7
87.10033	1.1
96.04491	4.0
98.97566	1.2
102.05538	31.6
103.02963	0.8
106.71088	1.2
110.06005	0.9
113.07126	3.6
124.11250	1.0
129.06615	8.4
130.04999	1.8
141.06575	6.3
142.12325	1.3
152.10722	7.9
155.08199	1.2
159.07655	20.8
170.11749	8.8
177.08705	80.0
187.07159	3.6
187.14412	2.0
197.12859	25.8
197.14688	1.3
215.13905	67.3
216.14307	1.4
225.12305	11.1
243.13379	21.7
272.15997	3.9
280.16580	1.7
290.17090	1.0
298.17599	2.8
308.15942	2.1
316.11307	2.1
326.17108	14.2
337.18683	3.6
344.18179	2.7
361.46500	0.9
381.72006	1.0
383.19217	25.4
401.20309	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.8
55.01879	10.5
55.05498	6.7
57.03443	9.1
57.06813	2.3
57.07069	20.8
59.04996	9.6
61.02917	4.4
64.06661	1.4
65.34675	1.3
67.05503	12.3
68.99783	2.6
69.03430	44.8
69.07068	15.3
70.06590	2.3
71.04996	7.5
71.36028	3.2
72.08152	3.1
73.02919	7.8
79.05496	3.8
81.03416	44.5
81.07054	10.6
83.04990	2.7
83.08602	4.9
85.02908	67.8
85.06542	11.3
85.10095	1.8
86.09692	1.9
87.00832	30.8
91.03966	2.8
91.05466	4.1
93.07059	9.6
95.04977	4.2
95.08607	64.1
97.02901	27.9
97.06535	7.5
99.04464	16.4
99.08098	15.7
103.05466	1.6
105.01865	23.8
105.07042	2.1
107.04936	4.7
107.08584	11.5
109.02134	1.8
109.02879	37.7
109.06510	9.3
109.10158	19.8
111.08093	7.4
111.11674	2.3
113.09644	61.5
115.03934	4.3
117.01834	5.1
119.08614	2.8
127.03917	63.6
127.11205	8.6
129.01836	5.7
135.11685	19.2
136.07571	2.1
137.05934	1.7
137.13254	6.7
145.04971	22.5
147.02898	3.7
153.12750	100.0
154.12981	1.9
155.14316	28.0
159.02895	25.4
161.04417	1.7
166.08633	3.3
167.07051	2.5
171.13832	19.8
177.09116	1.7
189.04117	1.6
194.08138	3.6
213.04036	2.6
213.14819	2.3
219.05026	1.9
231.04979	13.7
283.09015	1.4
373.14044	2.3
412.52521	1.5
419.14172	2.8
419.23575	2.9
437.40668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85958	0.8
71.59702	0.8
71.60101	0.8
74.45325	0.7
92.37128	0.9
94.93009	13.4
112.89612	3.6
114.89311	2.0
120.94571	1.7
136.94019	100.0
148.94020	33.3
166.95081	53.9
178.95090	3.4
190.95058	0.8
196.96130	16.8
202.89099	0.7
208.96144	2.3
220.96156	1.2
238.97183	1.4
256.98230	11.2
419.03461	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	419.097
Annotation	Juglanin
Peak:m/z	Relative Intensity
55.01867	2.8
56.96561	5.9
57.03422	4.8
61.02909	1.8
67.05477	1.1
69.03439	5.3
69.55378	4.6
69.55804	4.5
70.06596	1.6
70.13366	1.0
73.02886	3.1
73.93987	1.1
79.05504	2.7
81.03421	3.0
81.07067	3.2
84.08153	1.4
85.02914	8.5
86.19664	1.1
91.05455	1.7
95.04980	1.8
95.08575	3.2
97.02856	3.6
98.97580	3.5
99.04456	1.4
100.11267	2.0
105.07021	2.1
107.08610	1.6
109.06496	1.2
109.10155	1.6
111.00868	1.3
111.04444	1.4
114.09208	1.4
115.03904	1.8
116.98598	2.5
119.08587	1.9
120.08061	1.3
121.02859	4.5
121.10098	1.4
123.04435	2.5
124.05000	1.1
127.03916	2.8
128.98610	1.3
129.07033	1.6
131.08530	1.4
133.05017	1.2
133.10124	1.6
137.02293	2.2
137.05937	1.3
146.99599	3.0
149.02338	1.3
153.01854	5.5
157.06503	1.5
162.14560	1.2
165.01831	2.3
167.07031	2.2
182.15436	1.3
210.14809	1.2
213.05315	1.9
219.01749	2.0
223.04211	1.1
236.28929	1.2
237.02864	5.5
241.05023	1.3
241.08583	3.1
258.05286	1.6
259.05893	1.7
269.08023	1.4
273.08163	3.1
287.05496	100.0
288.05753	2.6
291.09143	1.5
293.10748	1.8
295.09619	4.1
311.11804	1.6
319.08511	2.3
337.09573	2.1
347.26266	1.3
383.07983	1.9
419.14285	3.2
437.14502	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11716	3.2
56.96573	3.5
60.04514	2.9
69.08190	3.0
71.58644	5.8
72.08147	10.9
84.04489	4.1
85.02908	6.1
86.09711	9.5
87.91415	2.6
93.02152	3.3
99.80997	3.1
103.05485	8.6
120.07235	4.8
120.08109	100.0
131.04964	5.6
132.92360	2.9
152.07050	4.8
166.08665	47.5
238.10794	4.1
263.12558	3.1
312.23819	3.2
419.15070	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43249	12.6
53.03944	14.7
53.86479	10.5
53.88485	13.1
55.05494	21.2
56.96569	37.0
57.03439	18.1
60.04538	15.0
67.05479	16.3
69.03433	34.5
69.07067	14.9
70.06597	84.2
71.59340	21.4
72.08144	69.3
74.06048	14.2
79.05518	12.3
81.03413	25.1
84.04507	38.1
84.08134	35.2
85.02898	89.6
86.09709	100.0
87.10065	11.8
91.05491	28.8
97.02887	48.7
98.97597	21.2
99.95278	10.6
102.05559	18.2
103.05492	13.8
105.07051	23.8
107.04977	52.3
109.02893	18.3
110.07169	17.3
116.98601	15.3
125.06020	13.4
127.03968	35.7
129.10277	30.2
133.06593	12.9
137.05995	67.7
147.04410	24.6
149.06003	15.2
163.07579	28.9
165.09140	12.0
167.07018	80.9
173.67474	13.4
182.09396	29.5
195.10220	22.2
213.11206	97.4
219.01720	18.9
231.06732	32.0
359.08295	14.2
418.19711	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	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.03447	0.8
55.01875	1.1
56.96574	1.0
57.03426	1.9
59.54094	0.6
61.02929	1.1
62.31957	0.7
64.71926	0.7
65.03928	2.4
67.05508	4.5
68.68182	0.6
69.03431	6.7
69.07397	0.9
70.06588	1.6
70.89632	2.1
72.08168	1.0
73.02922	1.6
79.05488	3.7
79.31182	0.6
81.03409	5.9
81.05790	1.5
81.07074	0.9
84.08132	2.1
85.02910	8.4
86.09666	0.7
87.00793	1.6
92.04991	1.9
93.05783	1.2
95.04939	1.2
96.08102	3.8
97.02896	2.9
98.97549	1.1
99.04433	1.9
106.06556	24.9
108.08111	100.0
109.02876	3.4
109.08423	1.4
114.67318	0.7
123.06804	5.9
124.07592	30.2
127.03922	6.2
129.10268	0.8
134.06013	14.2
136.06137	1.0
136.06418	1.2
136.07562	16.9
137.08411	0.8
145.04977	1.3
148.04106	0.7
148.07559	1.4
152.07063	83.5
153.07465	1.2
164.07068	0.8
170.08122	23.4
176.07199	0.7
177.00696	0.9
189.00652	0.7
194.08115	2.0
219.01633	0.7
232.88295	0.8
256.11670	0.7
314.12341	2.1
332.13235	5.1
338.12299	2.6
356.13403	7.8
374.14450	14.0
400.12418	13.2
401.12848	0.9
410.92996	0.8
418.13425	47.2
419.13870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	45.0
57.07058	6.5
66.80300	5.6
67.05502	51.3
69.07065	18.8
70.09566	9.0
70.09985	16.1
70.32286	4.3
79.05490	18.5
81.07056	48.4
83.04980	63.1
83.08633	7.2
83.39434	4.5
85.06528	10.3
90.86533	4.5
91.05461	34.3
93.07046	48.4
95.04974	7.5
95.08608	55.1
97.06525	20.2
99.06976	4.8
101.06017	6.1
105.07021	66.3
107.04986	5.2
107.08588	49.7
109.06507	14.3
109.10162	61.4
111.04449	33.0
111.08096	17.3
113.09709	5.5
117.07005	8.9
119.08585	100.0
120.89970	4.2
121.06490	10.6
121.10137	51.0
123.08078	13.1
123.11708	15.4
125.06030	6.2
129.07021	8.1
131.08569	20.3
133.10121	60.3
135.08066	21.4
135.11685	20.6
137.09631	27.7
139.07564	5.4
139.11243	5.1
142.07773	6.3
143.08566	17.9
145.10120	36.4
147.08102	5.0
147.11693	44.0
149.09647	8.0
149.13254	5.9
151.07585	8.3
151.11169	13.8
153.08987	5.1
155.08549	7.0
157.10130	23.8
159.08069	6.6
159.11678	38.4
161.09618	10.0
161.13245	20.5
163.11174	6.1
163.14815	14.9
169.10130	18.9
171.11690	23.5
171.84363	5.0
173.09654	11.6
173.13229	11.1
175.14885	5.6
179.10605	6.2
183.11702	16.0
185.13268	11.4
187.11185	5.5
187.14832	18.2
189.16365	8.9
195.11800	5.6
197.13254	20.5
199.11285	4.3
199.14862	13.2
201.16389	10.7
203.10753	4.5
205.12225	13.7
205.15820	5.4
211.11076	7.7
211.14810	8.9
213.16397	9.8
225.12872	6.7
225.16266	5.0
229.12248	7.8
239.17924	11.9
245.15150	5.9
253.19598	8.1
257.15564	6.5
257.18893	6.5
271.20459	7.7
275.20172	14.6
281.19128	18.4
299.20010	64.3
317.21091	80.9
318.21188	6.0
335.78436	4.6
390.18591	5.1
417.27365	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	417.2786
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03952	4.0
55.05497	17.4
56.17999	3.5
56.96560	3.8
57.03436	7.2
57.07066	8.8
65.03929	4.1
67.05505	66.7
69.03425	4.7
69.07076	22.7
70.80608	3.4
71.04991	5.7
71.08604	4.1
71.59918	4.4
71.60332	6.7
79.05492	34.9
81.07056	82.0
83.04970	7.5
83.08632	17.8
84.37658	3.7
85.06523	6.2
91.05482	41.6
93.07047	66.8
95.04978	20.4
95.08604	71.1
95.75392	4.4
97.06512	16.2
98.98467	60.8
105.07028	78.7
107.08598	59.7
109.06516	79.3
109.10165	45.1
111.08076	11.4
117.07002	16.6
119.08582	86.7
121.06530	9.5
121.10146	74.2
122.39971	3.7
123.08073	11.3
123.11690	21.1
125.84396	3.9
128.06213	11.3
129.06998	13.4
130.07820	7.0
131.08551	46.6
133.06476	4.1
133.10121	75.7
135.08054	17.0
135.11673	42.7
137.05992	7.6
137.09644	5.0
137.13281	6.1
141.06993	10.3
142.07751	19.0
143.08583	28.3
144.09323	5.3
145.10104	41.7
147.08057	14.5
147.11676	25.6
149.09613	13.9
149.13188	8.0
153.06917	4.6
155.01044	62.3
155.08556	18.2
156.09338	16.0
157.10118	53.5
158.10828	5.4
159.08072	11.7
159.11700	22.5
161.09631	17.3
161.13255	12.4
163.11136	6.3
163.14836	5.9
165.06917	5.9
167.08560	12.1
168.09361	6.3
169.10097	32.0
170.10783	5.8
171.11722	25.5
172.12581	4.0
173.09628	13.2
173.13289	24.8
175.11053	8.8
175.14809	13.4
177.12703	4.4
179.08612	8.8
180.09337	5.5
181.10046	19.1
182.10909	6.3
183.11693	23.8
185.09599	9.5
185.13213	18.0
187.11116	6.0
187.14778	16.6
189.16484	5.4
193.10176	10.8
194.10860	8.4
195.11696	32.9
197.09612	8.8
197.13228	19.2
199.11160	12.6
199.14821	8.5
201.12782	5.2
201.16335	6.1
203.10753	5.8
205.10019	8.8
206.10858	8.5
207.11702	17.2
208.12494	6.5
209.13194	20.6
211.11183	5.4
211.14870	7.9
213.12817	8.5
213.16406	8.7
215.10599	4.6
219.11696	12.8
220.12448	8.4
221.13246	10.1
223.14775	7.9
225.12717	8.5
231.11610	6.2
233.13206	19.0
234.13943	5.7
235.14848	19.7
237.12773	11.4
237.16367	9.2
239.14287	5.9
239.17938	10.6
241.19540	6.6
244.12575	4.2
245.13252	6.3
245.22623	13.8
247.14902	8.2
251.14275	5.9
251.17958	4.9
253.15950	8.9
257.13266	6.2
259.14780	6.4
261.16428	5.6
263.23718	35.5
265.15735	4.0
269.18964	5.7
271.14703	7.0
273.16208	4.3
275.17932	6.5
277.15912	11.8
279.17508	5.0
281.18994	6.7
291.17371	4.1
295.16855	5.4
301.19263	4.5
341.22678	6.6
343.20551	4.2
357.25766	10.6
359.23596	13.6
374.26279	4.4
375.26749	12.5
389.18225	8.1
399.26840	23.3
399.32153	7.2
412.20047	9.9
417.27924	100.0
417.35333	11.6
418.28183	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	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	48.3
57.03424	11.0
57.07073	6.9
67.05168	6.4
67.05505	84.3
69.07048	17.8
70.09457	15.5
73.45084	3.9
79.05473	34.1
81.03398	4.3
81.07050	82.3
83.04977	53.3
83.08610	17.4
85.06528	9.6
91.05466	34.0
93.07035	43.4
95.04977	7.0
95.08604	89.2
96.08949	5.8
97.02914	5.1
97.06507	11.8
97.10178	7.7
98.98468	89.5
99.08074	5.9
105.07037	41.1
107.08608	41.6
109.06498	8.1
109.09468	4.5
109.10158	58.4
111.04432	14.4
111.08082	16.4
116.99641	4.1
117.06976	5.2
119.08575	77.8
121.06480	3.9
121.10158	36.9
123.08073	14.0
123.11713	22.9
128.06166	4.7
129.06973	5.6
131.08548	11.4
133.10139	47.9
135.08051	9.2
135.11676	20.2
137.09598	15.7
137.13248	13.6
139.07671	4.1
143.08521	6.1
145.10129	27.6
147.08087	6.0
147.11694	33.6
149.13222	13.2
151.11182	7.0
151.14755	6.1
155.01028	100.0
155.08507	9.6
157.10126	12.9
159.11679	24.6
161.13281	14.2
163.14780	16.7
165.12715	4.5
169.10147	7.2
171.11681	8.6
173.13229	10.8
175.14822	6.9
183.11650	7.3
185.13179	5.5
187.14828	9.8
189.16351	12.5
197.13274	11.3
199.11186	4.9
199.14833	7.3
201.16330	7.5
205.15880	5.2
213.16368	7.5
220.16301	4.2
239.17879	5.5
243.13895	5.1
245.15320	6.1
245.22650	20.7
253.19171	6.0
263.23685	50.5
269.87357	4.1
281.19016	11.6
299.20004	25.9
317.21066	44.4
417.26959	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	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
53.03945	3.2
55.05501	11.8
57.03425	6.0
57.07071	4.4
67.05501	54.0
69.07071	11.7
71.04977	2.2
71.08625	3.4
79.05491	16.7
81.03384	2.0
81.07056	67.6
83.04996	2.2
83.08614	11.1
91.05492	14.6
91.05975	2.9
93.07031	19.8
93.98448	2.0
95.04982	4.7
95.08605	56.8
97.06506	4.3
97.10160	5.7
98.98466	73.4
99.08089	3.6
105.07056	9.7
107.08587	13.1
109.10156	29.7
111.08049	5.1
116.99524	3.7
119.08585	7.4
121.10139	12.4
123.08088	2.4
123.11688	13.8
123.92945	1.8
133.10101	9.9
135.11682	7.8
137.13239	12.2
143.08551	2.2
143.50391	1.8
147.11700	8.4
149.13252	5.5
151.14832	5.8
155.01036	100.0
161.13216	4.0
161.97240	2.1
163.14810	8.3
165.16339	5.3
175.14746	4.7
186.96886	3.1
189.16402	3.2
211.14476	2.1
211.94104	1.9
229.75253	2.8
245.22607	21.9
263.23709	50.9
274.56186	2.4
392.15021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.8
53.51777	0.3
55.01852	0.5
56.96552	1.0
57.03449	0.3
63.99245	0.3
65.03926	1.4
67.05497	1.3
69.03426	0.7
70.06581	0.8
70.78218	0.6
70.78574	0.8
71.05009	0.4
73.06606	0.3
78.04711	2.5
79.05101	0.3
79.05477	1.6
81.03413	0.8
81.07053	1.0
81.96439	0.3
82.04197	0.4
84.08132	0.3
85.02900	1.8
86.09711	1.5
91.05482	1.8
93.03395	0.3
93.07005	0.5
95.04974	1.4
95.08577	0.4
96.05736	0.4
97.02888	0.4
97.06518	0.6
97.85160	0.4
98.97574	0.4
103.05464	1.0
105.06995	0.6
106.04165	1.1
107.04978	1.7
109.02836	0.4
109.06527	0.5
110.03676	0.7
115.05450	3.1
116.98632	0.4
117.06218	0.4
117.07024	5.5
119.04937	0.4
119.08550	0.4
122.03606	0.4
123.04433	6.4
124.05239	2.7
125.05988	0.5
127.03925	0.8
127.05433	0.5
129.07066	0.5
131.08636	0.3
134.03595	0.3
134.99715	0.5
137.05992	1.2
138.03130	0.8
142.02605	0.5
143.08501	0.4
145.06494	9.2
151.03905	1.3
151.07555	0.4
151.11160	0.3
152.04662	1.8
153.01874	0.5
153.05403	0.4
155.06033	2.0
157.10193	0.4
161.05997	0.5
167.07047	100.0
168.04236	0.4
168.07358	2.1
171.06551	1.5
173.05992	14.1
174.06444	0.3
175.07547	1.0
181.04967	20.3
189.09143	0.4
191.06985	0.9
201.05565	0.6
205.08585	3.4
215.06862	0.3
221.06079	0.4
233.08087	7.2
233.49965	0.3
235.09653	3.3
238.17368	0.3
245.06827	0.4
247.07491	0.4
253.11160	0.4
264.08118	0.3
265.08426	0.5
271.12262	0.3
285.11209	0.3
387.14355	14.0
388.14648	0.6
417.15515	26.6
418.15775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	1.4
61.91876	1.0
64.32423	0.9
67.05488	2.7
68.62444	1.0
69.03435	2.4
69.07056	2.1
70.06595	5.7
71.04984	1.5
71.29706	1.8
71.30039	1.2
72.08145	1.8
79.05471	2.4
81.03393	2.6
81.07027	3.0
83.04913	1.1
83.08591	1.2
84.04483	2.3
84.08110	3.1
85.02872	3.7
86.09705	23.8
88.82909	1.2
91.05452	2.8
93.07010	2.0
95.04938	2.0
95.08575	1.9
97.02851	1.9
98.97594	1.3
105.06998	3.2
105.84747	1.1
107.04964	7.7
109.10146	2.1
113.30769	1.0
117.06985	1.3
119.01916	2.1
119.08539	1.5
120.08122	1.9
121.02869	1.2
121.06503	1.1
121.10136	1.7
123.04336	1.4
127.03876	2.8
131.08502	1.2
143.08519	2.4
143.11754	3.1
145.06491	1.4
145.10103	2.2
151.03830	2.1
151.47304	1.0
157.10078	2.2
161.02943	1.3
167.07028	12.4
167.08440	1.6
169.04913	3.1
169.06297	1.1
169.08362	2.5
171.08064	1.0
171.11620	1.3
173.05873	2.6
181.04924	4.5
181.06351	1.3
181.10104	1.7
185.04210	2.3
185.09567	1.2
191.06943	1.7
201.12314	1.7
203.10585	1.4
209.09482	1.4
219.13820	1.0
227.05182	5.7
227.07118	1.5
229.09140	2.4
233.08023	2.0
245.06349	9.5
255.15775	1.4
271.04248	6.8
273.07605	1.2
289.05347	16.1
325.07343	1.2
331.13507	3.2
373.14700	18.6
387.14035	2.4
411.88333	1.3
417.13464	100.0
417.26755	2.3
418.13684	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02367	0.5
53.03935	0.6
55.01859	0.7
55.05498	0.5
56.96554	0.7
57.03429	0.3
62.92407	0.3
65.03949	2.7
67.05508	1.5
69.03419	1.0
69.07063	0.5
69.80882	0.6
69.81297	1.2
78.04707	3.0
79.05492	3.9
81.03407	1.0
81.07062	1.6
82.04182	0.9
84.08150	0.4
85.02899	2.4
86.09695	0.5
91.05481	2.5
93.03410	0.3
93.07056	0.6
94.04204	0.3
95.04962	2.3
95.08604	1.0
97.02871	0.8
97.06533	1.7
101.72442	0.3
102.04684	0.3
103.05465	3.6
105.03396	0.8
105.07013	1.7
106.04172	1.3
107.04951	4.9
107.08549	0.4
108.02082	0.4
109.02817	0.3
109.06512	1.0
109.10116	0.5
110.03636	0.9
111.04423	0.8
115.05450	3.5
117.07005	6.5
118.04150	0.7
119.04887	0.4
119.08572	0.7
121.02902	0.5
121.06498	0.4
121.10130	0.3
122.03617	0.6
123.04413	7.6
124.05223	3.4
125.05992	1.4
127.03885	0.4
127.05420	0.8
128.06200	0.3
129.06963	0.6
130.04118	0.6
131.04910	2.8
132.05743	0.6
133.02791	0.4
133.06480	1.1
133.10107	0.3
134.03653	0.8
135.04396	0.6
135.08031	0.6
137.05974	0.9
138.03072	0.8
141.05367	0.3
142.02577	1.0
143.08571	0.3
144.05627	0.3
145.06474	10.1
145.10130	0.5
147.04370	0.6
147.08041	0.5
147.11664	0.4
148.05156	1.5
151.03915	2.1
152.04646	2.3
153.01814	5.8
153.05440	0.4
155.06030	2.6
159.08134	0.4
161.05966	1.0
163.07500	2.3
167.07031	100.0
168.07362	1.4
171.06534	2.9
173.05978	14.1
175.07541	1.0
176.04713	0.5
177.05403	0.4
179.03383	0.7
181.04950	38.2
182.05264	0.6
187.07434	0.4
189.05309	0.3
191.07031	9.3
192.04166	0.6
193.04903	0.5
195.06535	1.0
201.05516	0.9
203.03362	0.4
203.07001	1.0
205.04976	1.0
205.08589	3.4
207.06416	0.7
207.10139	0.4
219.02866	0.5
219.10109	0.4
221.07990	0.3
231.06311	0.4
233.04576	0.5
233.08054	8.3
235.09616	3.5
243.06450	0.4
245.07986	0.4
255.06512	0.9
258.16083	0.3
263.09213	0.4
265.08624	0.4
269.08212	0.6
271.05997	0.5
271.09674	0.3
273.04321	0.4
275.05536	0.4
283.06070	0.4
283.09677	0.8
293.08118	0.3
299.09042	1.0
301.07101	1.2
301.10458	0.4
307.09540	0.4
309.07483	0.6
311.09195	0.4
325.10800	0.6
326.04214	0.8
327.04898	0.9
327.08691	1.0
327.12186	0.6
328.09448	0.4
329.06699	0.7
329.10239	0.5
339.12341	0.3
353.10272	0.5
355.08054	5.4
355.12091	0.7
357.13373	0.4
371.11072	0.4
371.15009	0.4
373.09103	0.4
381.13339	0.9
387.09332	0.7
387.14337	13.4
388.14868	0.6
399.10614	7.7
400.11148	0.4
417.11356	9.1
417.15430	20.0
418.11423	0.6
418.16037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.9
55.05500	13.6
56.05042	7.6
56.96571	9.2
57.03415	8.2
59.21338	4.9
59.99357	5.1
62.67031	5.7
62.99053	7.3
66.40647	5.2
67.05495	13.6
69.03426	12.9
69.07061	10.8
70.06593	39.4
71.58843	7.1
72.08157	72.9
73.02895	5.5
74.06070	8.5
79.05478	16.0
81.07035	10.4
83.04956	6.4
83.06097	6.1
84.04510	18.6
84.08134	27.5
85.02877	9.6
86.09702	100.0
87.25336	5.1
89.02386	14.3
91.05473	42.4
93.07030	18.9
95.04961	18.9
95.08580	10.7
97.02872	15.9
102.05546	7.9
105.07034	46.1
107.04962	7.9
107.08562	8.0
108.73846	5.3
109.06539	18.9
115.05447	13.3
116.07067	9.9
117.07005	44.5
119.04920	5.4
119.08575	36.2
121.06488	17.6
128.06215	18.0
129.07004	41.1
129.10226	13.7
130.07747	8.0
131.08559	46.7
133.06468	22.7
133.10141	10.2
135.04430	7.9
135.08023	11.3
141.06956	23.9
142.07764	15.6
143.08580	54.7
145.06485	27.9
145.10106	46.0
147.08034	19.7
147.11639	8.0
149.05939	8.3
151.07477	6.2
153.06952	16.5
154.07761	27.3
155.08536	28.0
156.06158	5.4
156.09315	7.0
157.10152	13.3
158.07249	7.5
159.08029	23.1
159.11713	15.8
161.05975	7.5
161.09642	9.5
163.03931	15.0
163.07520	12.8
165.06958	5.7
167.08556	13.8
169.10149	55.2
171.07980	12.6
171.11604	10.2
173.05960	7.0
173.09642	43.2
174.10376	9.2
175.11058	17.3
175.88260	6.5
177.05568	5.7
177.09143	12.1
179.07059	14.5
179.08517	10.4
185.09641	6.2
187.11147	34.7
189.09074	7.0
189.12584	17.1
191.03357	5.8
191.10704	10.0
193.12173	12.8
197.09589	40.5
199.11142	32.2
201.09081	11.3
201.12321	6.0
205.12178	9.0
213.15878	6.7
215.10635	58.1
216.11485	11.9
217.06677	7.3
217.12111	21.2
225.00537	10.4
225.09116	9.9
226.09813	7.7
232.10452	5.8
233.11671	28.5
243.10081	31.3
244.10907	21.8
245.11865	5.7
261.11182	15.9
271.07190	39.7
284.15857	6.5
371.11340	8.5
373.14639	9.9
399.11435	46.1
417.12375	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05495	2.6
56.96565	20.2
61.02908	1.6
67.05494	2.0
69.03423	2.9
69.07069	2.9
69.64215	1.3
70.06590	22.6
71.30064	3.1
72.08150	11.0
73.02928	2.3
73.63221	1.3
74.97638	1.6
81.03429	4.3
81.07073	3.6
83.06097	2.2
84.04504	6.9
84.08139	5.5
84.96033	10.0
85.02913	11.3
85.03371	2.2
85.38373	1.4
86.09706	62.2
87.00808	2.4
91.05480	1.8
93.07042	2.7
95.04933	1.7
95.08599	3.2
97.02914	3.6
98.97578	33.2
99.04434	1.7
101.07153	1.8
105.01878	2.7
105.07046	5.0
109.02872	3.2
109.31172	1.4
110.07183	1.8
110.97585	4.8
112.99131	2.6
113.09643	3.8
116.98615	31.4
119.04908	1.6
120.08099	1.7
123.04436	2.3
127.03922	5.2
128.98624	12.6
129.06715	1.7
129.10199	4.1
130.05014	5.1
131.00174	6.7
131.08540	2.3
134.99660	19.7
135.07974	1.4
136.76485	1.8
143.00153	3.2
143.11781	4.3
144.98090	2.4
145.01695	1.5
145.06477	2.0
145.10143	1.7
146.99637	14.7
147.03273	1.8
147.07602	3.3
147.11725	1.8
148.06142	1.5
149.01230	9.5
151.03908	4.7
153.00764	1.8
157.13419	2.3
158.99663	6.3
159.03072	4.3
159.09225	2.1
161.01239	6.0
161.04846	2.2
162.99196	4.0
165.00671	1.5
167.07066	4.6
169.04965	14.0
169.10146	1.6
170.99704	3.5
171.11333	5.3
173.01324	2.7
177.00702	13.7
181.04945	3.3
183.11540	1.7
185.04877	2.7
185.09233	4.0
187.06422	12.3
187.10933	2.4
187.14537	2.4
189.00700	4.3
189.12477	1.8
191.02318	4.2
193.04945	6.4
193.12352	1.7
201.12402	2.7
203.05963	6.4
203.13899	3.1
205.07501	17.9
211.06143	6.6
215.06006	3.2
215.10446	3.4
217.07417	1.7
217.12180	1.9
219.01750	20.0
223.08525	1.7
229.07504	17.3
229.11853	3.5
235.06052	5.0
237.02818	52.5
237.05135	3.1
241.07411	2.5
243.08981	1.6
247.08534	5.6
247.12848	1.8
253.07529	2.3
255.03830	5.4
257.06802	1.7
259.06067	3.6
260.04547	2.3
271.08527	4.0
277.07001	4.3
277.09808	1.7
331.10641	100.0
332.11169	2.0
349.11713	50.2
372.13266	4.0
373.11728	31.1
391.12802	8.1
394.74869	1.6
417.11481	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01862	7.1
55.05520	4.6
56.96557	5.2
57.03429	4.1
60.04527	2.2
61.02919	7.1
67.01900	2.1
67.05487	3.1
68.99789	7.5
69.03425	18.1
69.07067	6.2
70.06596	17.5
70.94659	4.8
71.04995	3.1
72.08157	30.3
73.02917	6.0
79.05488	5.0
81.03419	20.6
81.07053	3.2
83.04972	1.9
84.04511	4.9
84.08143	9.6
85.02907	57.0
86.09706	78.5
87.00836	16.9
88.03979	6.1
89.06022	2.7
91.03960	1.8
91.05486	6.6
93.07049	2.9
95.04942	2.6
97.02911	16.3
98.97571	3.9
99.04458	7.6
102.05535	4.2
103.03977	3.0
103.05460	2.8
105.01891	9.6
105.03413	3.3
105.07024	4.0
107.04971	2.5
107.08631	2.7
109.02876	20.5
115.80872	1.8
116.07079	2.2
116.98622	3.8
119.04913	4.4
119.08620	2.2
120.08144	2.5
121.02814	1.8
121.10170	2.0
123.04456	13.4
127.03923	32.7
129.01848	5.2
129.07007	3.2
129.10260	6.8
130.05035	2.6
133.10188	3.5
136.06160	11.2
137.05869	5.3
141.10237	3.9
143.08577	3.3
143.11826	7.8
145.04939	11.9
147.04399	8.4
148.06111	3.5
151.03905	28.6
156.10222	3.2
159.02867	11.0
159.11555	2.4
161.05995	3.6
163.03947	5.2
165.05487	7.5
167.07048	5.8
169.04968	100.0
169.10110	5.0
171.04417	2.9
171.11427	3.1
175.03934	4.7
181.04926	9.1
183.11247	2.3
185.06038	2.3
187.10979	2.1
189.05501	7.0
189.12346	11.6
193.04979	54.4
201.12399	25.1
203.06953	2.0
204.12462	2.5
205.04974	2.8
205.12749	8.7
207.06508	7.4
211.06029	37.1
213.05568	3.2
215.10707	5.6
217.04958	6.3
229.11781	12.9
231.04556	2.4
231.06746	8.7
233.11722	3.9
235.05991	30.2
237.02824	2.2
241.05040	2.4
243.10129	3.9
247.13013	2.2
259.06052	24.0
261.11356	2.7
277.07101	27.4
315.11295	2.5
417.11548	2.5
417.16873	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24385	0.6
55.78746	0.6
56.96569	0.6
60.33588	0.7
71.17722	0.7
77.00906	0.8
81.03404	2.3
85.02972	0.6
98.97579	1.8
109.02899	3.3
116.98621	1.2
119.01908	2.7
120.95443	1.8
131.01874	0.9
133.03511	0.7
134.99667	0.7
137.02925	0.9
138.96407	1.9
156.97476	26.5
157.03468	1.3
157.97510	1.0
165.41026	0.6
174.98537	37.6
175.98581	1.3
179.99040	0.6
180.97414	2.8
182.99054	13.6
183.99182	0.7
185.03055	0.7
194.99048	11.4
196.96960	1.4
198.98532	32.3
199.98639	1.4
200.27643	0.5
201.00082	18.0
203.03848	0.6
210.98492	1.3
213.00085	44.1
214.00203	3.0
216.99596	10.1
220.43532	0.6
221.05144	0.9
222.98466	5.0
225.00110	3.1
228.99684	0.9
231.01134	8.4
237.00081	1.5
239.06110	1.0
240.99593	7.9
241.99855	0.6
259.00684	1.3
261.03271	0.7
264.99585	2.4
283.00626	2.9
297.38712	0.7
297.58194	0.7
301.01688	100.0
302.01834	5.2
319.02753	11.5
320.03027	0.7
339.03381	0.8
342.04291	1.0
357.04318	70.3
358.04514	5.3
375.05392	7.0
393.06403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.83135	0.2
53.87333	0.2
55.01867	0.3
55.05502	0.4
56.96553	0.2
67.05488	0.3
69.03421	0.6
71.59909	0.3
79.05499	0.9
81.03408	0.5
81.07054	0.3
85.02905	1.6
87.00839	0.7
91.05489	2.3
93.07040	0.5
97.02893	0.5
97.06523	0.2
98.97594	0.3
99.04486	0.3
104.80138	0.2
105.01852	0.7
105.07028	8.8
107.08601	0.4
108.04475	0.4
108.85417	0.2
109.02871	0.6
111.04408	0.2
115.03951	0.2
115.05444	1.3
116.98625	0.2
117.07001	1.3
118.07803	0.7
125.02360	0.2
127.03892	1.1
131.08565	3.9
133.10127	100.0
134.10448	1.0
143.03325	0.4
145.04935	0.5
145.06525	0.2
147.11678	1.4
150.12747	0.7
159.02911	0.3
160.46164	0.2
167.07047	0.7
171.11592	0.3
175.11166	0.9
181.04974	0.2
183.37454	0.2
186.11107	0.2
187.11172	0.3
199.11259	0.4
213.12761	0.4
217.12169	0.2
223.11102	0.4
231.05046	0.3
241.12207	0.5
259.13406	0.3
268.44928	0.2
304.96390	0.2
399.10760	0.4
416.18951	0.7
417.12006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42541	3.5
54.85050	2.7
55.05502	3.9
58.06587	3.8
64.59204	2.8
69.03413	10.4
70.06281	3.2
70.06596	30.3
71.42563	5.2
71.83080	3.2
72.08155	15.6
73.02886	2.9
79.05473	5.4
82.06566	4.1
84.04459	3.5
84.08135	11.4
85.02898	26.3
86.09689	15.8
91.05487	11.5
93.07037	9.2
95.04960	4.3
97.02904	12.1
103.05423	4.3
105.07044	34.2
107.04959	12.7
112.07574	5.1
115.05426	4.5
116.98636	4.3
118.04221	3.3
119.04906	3.6
121.06501	15.1
123.04441	7.1
127.03895	3.5
129.10228	5.6
131.04936	4.5
131.08525	5.9
133.06497	19.4
135.08029	4.3
145.06473	4.3
149.05960	18.2
159.08051	5.5
161.05997	42.6
163.07552	5.7
167.07045	100.0
177.05418	16.1
180.07869	3.7
181.04996	6.3
181.08612	23.3
187.07492	5.1
193.08609	33.4
195.10173	13.1
204.08600	3.6
205.08722	3.3
211.07800	5.3
211.09654	63.6
236.08989	4.1
236.12762	11.8
237.02762	5.4
237.11176	30.5
254.11032	4.8
254.13847	67.9
279.00748	3.7
313.65933	3.4
416.19315	24.5
429.10773	3.5
442.97168	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	416.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01840	0.2
55.05508	0.4
67.05495	0.3
69.03439	0.9
69.78350	0.5
69.78756	0.5
79.05476	1.1
80.04989	0.3
81.03419	1.2
81.05790	0.4
81.07056	0.8
82.03711	0.2
84.04474	0.2
85.02896	0.7
86.09701	1.4
87.00835	0.3
91.05456	0.7
92.06297	0.3
93.05779	0.4
93.07024	0.3
93.34272	0.2
94.06568	0.7
95.04937	0.4
95.08591	0.4
97.02887	0.5
97.06527	0.4
98.97548	0.4
99.04438	0.3
103.05460	0.3
105.07043	1.5
106.06570	0.9
107.07331	5.0
108.07618	0.2
109.02894	0.8
116.98640	0.3
117.05741	0.5
117.06997	0.2
120.08092	0.4
121.08871	0.5
121.10217	0.2
122.06010	0.2
122.09663	10.2
127.03899	0.8
132.08060	0.3
133.10135	0.2
135.06792	1.5
138.09151	0.3
145.04939	0.2
145.06528	0.2
145.10129	0.2
149.01166	0.2
150.09135	100.0
151.09497	1.5
153.01843	0.2
158.99709	0.3
167.07022	1.2
168.10188	1.7
173.06125	0.2
179.03433	0.2
181.04903	0.6
193.12233	0.3
227.61819	0.2
243.08893	0.4
261.14493	0.4
264.09409	0.4
267.16205	0.2
279.82239	0.2
319.10553	0.2
355.08255	0.2
373.18527	0.9
399.10583	0.3
416.19168	0.4
416.23761	0.3
417.11627	0.3
417.17215	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	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
57.07075	100.0
57.84652	2.3
63.87925	2.4
67.01867	3.1
71.21455	4.7
79.69204	2.3
81.03403	8.3
81.07051	2.8
85.06544	75.8
85.53334	2.3
89.06043	7.6
95.08635	3.6
99.04446	5.1
99.83863	2.7
109.02879	28.2
109.10188	2.8
119.08605	5.5
119.09663	2.3
119.16102	2.6
120.01318	2.6
127.03898	33.4
133.08580	3.6
150.78127	3.0
152.56808	2.3
211.09654	58.1
213.66013	2.3
397.34729	3.8
415.28220	10.2
437.20197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07301	0.4
55.05505	0.5
56.25927	0.3
56.86552	0.4
56.96566	1.7
57.03430	0.5
60.04540	0.4
62.21061	0.4
64.56607	0.3
67.05524	0.6
69.03426	1.1
69.07069	1.0
70.06608	2.1
71.04999	0.6
71.60045	0.5
72.08153	2.5
73.02894	0.3
73.06577	2.0
79.05500	1.4
80.28561	0.4
81.03409	1.1
81.07082	0.7
84.04505	0.4
84.08133	0.5
85.02897	1.6
86.09704	5.1
87.04465	5.3
89.06030	100.0
89.22935	0.4
90.06384	0.4
91.05476	1.1
91.07599	0.4
93.07040	1.3
95.08601	1.0
97.02883	0.9
97.06558	0.6
98.97575	2.3
105.07059	1.9
107.04975	0.8
107.07082	5.2
107.08582	1.9
109.06526	0.5
109.10203	0.4
116.07108	1.6
116.98589	2.0
117.07021	0.6
117.09184	0.5
119.08569	0.7
121.06554	0.6
121.10139	1.0
123.08094	0.5
127.03936	0.5
130.08655	1.2
131.00288	0.4
131.07036	1.4
131.08549	0.7
133.08601	51.0
133.10066	5.3
134.08925	0.4
134.10449	1.1
134.99655	1.1
135.04352	0.4
135.08061	0.7
135.11707	0.5
136.06189	1.2
137.09604	0.6
145.10031	0.6
146.99612	0.6
147.11714	0.7
148.06198	0.4
149.01291	0.5
149.09668	0.8
151.09703	0.6
157.07663	0.5
159.11334	0.8
167.07002	1.1
168.10251	0.5
173.13242	0.9
177.00667	0.7
177.11209	10.9
177.12675	0.8
178.45529	0.4
181.04912	0.7
187.10777	0.6
191.14311	1.8
192.14755	0.5
192.31989	0.4
195.12314	0.5
201.12302	0.4
203.14073	0.7
204.12514	0.5
221.07539	0.6
221.13853	1.2
223.91162	0.5
230.08264	0.4
233.08067	0.6
237.02791	0.9
239.14955	0.6
253.14120	0.4
271.04303	0.4
283.17380	0.6
295.08597	0.8
307.32846	0.4
327.20096	0.4
371.16724	1.2
371.22745	0.5
415.14960	4.1
415.19974	1.2
415.25592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76237	0.6
52.70255	0.7
55.05491	1.4
55.45171	0.5
56.05033	0.7
56.96541	2.6
57.03395	0.7
59.52346	0.6
59.61719	0.5
61.02902	0.6
64.89287	0.6
67.05476	2.0
69.03432	3.2
69.03723	0.6
69.07033	1.7
70.06598	3.4
71.04958	1.4
71.59946	1.0
72.08144	3.4
73.02883	0.6
79.05506	3.1
81.03419	3.7
81.07020	1.5
83.04984	0.8
84.04485	0.9
84.96039	0.8
85.02902	3.5
86.09216	0.8
86.09699	12.5
87.00837	1.1
87.04464	1.3
91.05458	1.8
93.07022	2.8
95.04954	2.1
95.08565	1.2
97.02869	2.1
97.06525	0.8
98.21315	0.7
98.97577	2.2
99.04450	1.3
105.07008	3.0
107.04924	2.1
107.08550	1.9
109.02845	2.3
109.06516	1.2
111.04446	1.7
116.98598	2.1
117.07046	0.7
118.06467	0.9
119.08538	1.2
121.06525	1.0
121.10129	2.0
125.05993	0.8
127.03915	4.3
131.04889	0.8
131.08554	1.8
133.10104	1.0
134.99646	1.2
135.08026	1.1
136.07481	0.8
143.11795	0.8
145.04993	0.7
145.06506	0.8
146.05951	1.9
149.09477	0.8
156.95763	0.8
157.10266	0.7
158.99715	1.1
159.08000	0.8
167.07033	2.7
167.08478	0.7
171.11586	0.7
173.01225	1.0
175.11116	0.8
177.00636	1.0
181.04929	1.9
185.04175	1.0
185.12828	0.8
191.10751	0.8
199.05829	0.9
219.01689	0.8
233.07915	1.2
235.13132	0.8
253.14120	100.0
254.14473	0.9
271.13950	2.0
341.14767	1.2
371.16470	0.8
387.14111	1.6
415.19424	75.4
416.19418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.7
53.15390	0.5
54.37243	0.5
55.35129	0.5
56.60154	0.5
56.96529	1.2
67.05465	0.7
69.03396	1.5
70.06565	1.3
71.04960	0.8
71.60248	1.0
72.14294	0.6
78.14127	0.5
79.05445	1.6
81.03365	1.7
81.07038	1.1
85.02855	2.0
86.09642	1.2
91.05471	0.9
93.06994	2.1
95.04939	1.1
95.08575	1.4
97.02887	1.3
97.48035	0.6
98.97527	0.7
99.04346	0.8
105.07008	1.1
107.04918	2.1
107.08546	1.0
109.02844	0.6
109.06502	0.8
109.10110	0.6
112.98347	0.5
119.08536	1.8
121.06470	1.1
121.10203	0.8
123.08043	0.6
123.11670	0.6
127.03910	1.4
131.08542	0.7
135.08029	1.3
137.05916	0.6
137.09644	0.7
145.06491	0.6
149.09569	1.1
159.11682	0.6
161.02844	0.5
161.09663	0.5
167.07010	1.3
167.08502	0.6
167.10574	1.3
175.11252	0.5
177.12715	0.6
181.04922	1.1
185.04202	12.3
188.84114	0.5
211.01396	0.5
215.11311	0.7
223.11748	0.7
233.08040	0.7
233.12286	0.9
235.13217	1.3
253.14130	81.1
271.13773	3.1
371.16800	3.9
397.14386	0.7
415.19528	100.0
416.19830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10558	0.6
68.56465	0.6
69.03423	1.1
69.60864	4.7
70.06557	0.6
76.90622	0.6
81.03393	1.1
81.07060	0.9
85.02882	1.1
86.09673	1.4
93.07034	1.0
95.08566	0.6
97.06517	0.6
107.04942	3.0
116.98573	0.8
127.03902	1.5
135.24844	0.6
143.01877	0.7
145.04900	0.9
149.09601	1.1
159.75652	0.8
181.04980	1.2
185.04230	11.8
215.11220	1.3
223.10786	0.7
232.06181	0.7
235.16934	0.9
253.14131	94.5
254.14520	1.2
270.19370	0.6
271.13953	3.5
325.07593	1.1
371.17169	0.7
415.19437	100.0
416.19742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	23.0
67.05485	1.7
71.19090	4.8
71.95273	2.2
81.03394	1.5
81.82890	1.4
85.02911	2.4
93.07061	2.1
98.97578	2.1
116.98635	1.4
146.17949	1.6
167.06927	1.7
194.10411	1.6
223.10120	3.3
235.10112	3.0
241.11072	25.1
253.11127	48.5
253.14050	5.3
259.12180	39.2
271.12158	100.0
272.12430	2.7
277.13663	1.8
289.13245	7.2
292.08621	1.7
294.13910	3.8
415.16827	41.0
416.16760	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05518	2.1
56.96584	1.6
63.88499	0.9
67.05503	2.1
69.03434	3.6
69.07063	1.4
70.06599	2.4
70.37525	3.4
71.41849	0.8
72.08150	5.9
79.05504	2.8
81.03442	2.7
81.07037	2.2
83.05009	1.2
84.08167	1.3
85.02893	5.8
85.06552	1.1
86.09703	11.3
89.06039	1.9
91.05511	2.7
93.07074	2.7
95.05001	1.2
95.08639	2.2
97.02930	2.3
97.06551	1.2
99.04434	1.3
105.01888	0.9
105.07054	2.9
107.04970	2.3
107.08627	3.5
109.02898	2.5
109.06612	0.9
111.08082	1.3
116.98594	0.9
119.04952	0.9
119.08607	3.5
121.06497	1.0
121.10197	2.7
125.06064	1.3
127.03960	4.0
131.08572	1.0
133.10182	2.8
149.09717	1.8
157.10100	1.1
161.87419	0.8
167.07088	2.7
171.11578	0.9
181.05029	3.7
185.04176	1.2
185.12981	1.1
187.06100	1.6
197.52882	0.9
210.79318	0.8
215.11336	1.2
217.12355	3.6
219.03041	1.1
233.08075	0.9
235.13272	6.1
250.84077	0.9
253.14104	100.0
254.14610	2.1
264.99960	1.1
271.14069	2.7
303.70120	1.0
371.17014	1.6
397.18808	1.4
415.19586	65.3
416.19980	1.7
435.18289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64698	0.2
56.96564	14.8
69.03423	0.3
70.85257	0.2
70.85606	0.7
71.95267	1.4
72.96058	1.2
75.20130	0.2
79.05459	0.3
80.24128	0.2
81.03397	0.4
81.07053	0.5
84.96003	0.6
86.09701	1.5
95.08567	0.3
97.96840	0.6
98.97584	12.2
105.00177	0.3
105.07003	0.3
107.04932	0.3
107.08596	0.2
109.02865	0.2
110.97577	0.7
115.00687	0.3
116.98618	8.2
118.98739	0.2
119.08465	0.3
123.01169	0.3
127.03900	0.4
128.98601	1.3
134.99655	3.4
137.02693	0.8
140.00114	0.3
146.99649	1.2
151.04341	0.3
153.00716	0.3
154.47102	0.2
155.03795	0.7
157.01773	0.2
158.99641	2.4
161.01320	0.4
165.00706	0.3
169.05377	0.8
170.99683	0.5
177.00720	3.5
177.93962	0.2
179.07358	0.3
181.05106	0.3
187.05939	0.4
195.06696	0.3
197.08501	0.8
207.10490	0.4
223.10056	0.9
225.11436	0.3
235.09998	6.1
241.11105	8.4
247.08557	0.2
253.11107	59.4
254.11415	1.8
255.12604	0.3
259.12183	12.8
260.12460	0.4
267.12814	0.4
271.12164	43.1
272.12491	1.3
276.12753	1.7
282.13754	0.4
289.13104	0.8
294.13672	1.1
295.12180	5.0
296.12680	0.3
306.64127	0.2
313.13217	3.4
314.13461	0.3
325.13208	0.5
402.20233	0.2
415.16385	100.0
416.16772	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	415.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	13.7
66.30179	0.3
69.03426	0.3
69.07058	0.3
69.62331	0.3
71.60336	0.5
71.95244	1.2
72.96030	1.0
81.03381	0.4
81.07052	0.7
84.96017	0.8
85.02874	0.4
90.50969	0.3
93.07038	0.5
98.97581	11.2
100.11211	0.3
105.07018	0.5
110.97565	0.9
116.98627	6.5
123.01220	0.7
127.03848	0.3
128.98624	1.5
131.00114	0.3
134.99680	2.6
139.82959	0.3
146.99612	0.8
149.13280	0.3
155.03755	0.4
158.99664	2.2
161.01202	0.4
169.01617	0.3
169.05371	0.4
170.99658	0.4
177.00700	2.3
195.03114	0.3
195.06821	0.3
197.08482	0.5
223.10013	0.7
223.23747	0.3
225.11650	0.5
235.10016	5.2
235.12201	0.5
241.11105	7.5
253.11107	57.1
254.11475	1.3
259.12180	12.6
271.12155	38.9
272.12585	1.0
273.13086	0.3
276.12701	2.5
289.13275	1.1
294.13705	1.2
295.12128	5.1
313.13074	2.9
325.13199	0.5
404.81503	0.3
415.16376	100.0
415.57410	0.3
416.16718	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	413.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25984	1.0
51.96597	0.6
53.62199	0.7
54.75776	0.7
55.05509	5.8
57.07066	1.6
67.05482	1.0
69.07073	7.8
69.61571	1.4
69.61967	4.8
70.06581	1.0
72.08155	72.1
73.06552	3.3
74.66203	0.7
77.20502	0.8
81.07056	2.0
83.04982	0.8
86.09705	100.0
87.10034	1.1
91.05492	1.4
91.75539	0.7
93.07030	1.3
95.08603	1.8
101.92323	0.6
105.07027	1.1
107.08604	1.2
109.10182	1.3
112.07574	1.4
121.10182	1.3
131.08629	1.1
133.10146	1.0
145.10114	1.1
147.11722	1.1
154.12247	0.8
168.13838	1.1
172.13326	43.5
172.95251	1.0
173.13661	0.7
186.14894	68.0
187.15170	1.8
190.96336	0.7
200.12817	20.2
210.37514	0.8
214.14380	29.0
267.20871	0.9
285.21851	1.2
300.18088	7.4
303.58102	0.8
313.21304	0.8
314.19611	10.1
343.03607	0.7
385.26849	9.2
413.26523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	3.6
55.05515	54.9
57.03438	24.4
57.07078	52.1
59.05350	2.8
63.36294	2.6
67.05503	28.9
69.07067	78.2
71.04984	3.6
71.08636	38.5
71.10258	3.3
71.10596	6.9
79.05510	8.8
80.12300	3.0
81.07066	39.2
83.04987	6.5
83.08619	52.7
85.10180	20.7
87.04498	3.2
87.12596	2.8
93.07049	16.0
95.08601	37.3
97.06541	11.7
97.10174	39.1
107.08595	18.8
109.10165	25.2
111.08118	6.2
111.11738	14.8
115.07561	3.9
121.10164	14.2
123.11747	9.9
125.09643	6.4
125.13364	4.1
135.11707	12.5
139.11198	10.2
140.19902	3.0
143.10684	4.6
144.13419	3.3
149.13287	9.3
153.12717	3.5
159.00554	2.8
163.14835	9.5
167.14365	3.8
169.55865	3.3
177.16422	3.9
191.17987	3.6
195.17387	3.7
205.19516	3.3
279.26810	4.2
303.30420	5.0
321.31546	20.1
395.35120	14.1
413.31509	5.6
413.36417	100.0
414.36707	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	415.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	14.4
58.92070	1.2
59.34101	1.1
61.17410	1.1
69.03417	2.8
70.06551	1.8
70.49091	1.6
70.49447	4.5
84.96039	7.3
85.02908	4.1
86.09109	1.2
86.09708	1.2
91.05750	1.4
97.02885	1.4
98.97578	27.8
110.97552	10.5
116.60881	1.4
116.98611	26.5
117.36795	1.3
128.98602	25.7
131.00168	4.9
134.99644	16.6
140.98537	1.5
143.00146	3.3
146.99646	31.7
149.01183	3.9
152.54269	1.2
153.00676	3.2
158.99652	4.5
161.01251	7.3
165.00748	5.0
170.99628	6.1
177.00757	7.7
179.00102	1.5
179.02196	2.5
184.00426	1.4
189.00694	9.9
197.01183	7.4
199.02760	4.7
201.00772	3.9
211.02763	4.8
215.02277	2.8
219.01741	38.8
227.02299	3.3
229.03868	12.0
236.83722	1.4
237.02818	100.0
238.03287	1.7
241.03941	1.6
247.04913	4.6
253.03827	2.0
255.03802	11.3
260.04413	3.0
271.04895	1.4
277.03598	1.9
295.04758	2.7
297.06351	1.6
307.04843	5.9
313.05762	2.0
314.03009	1.2
325.05893	10.1
337.05899	2.0
343.06943	6.6
355.06973	55.7
356.07382	1.5
373.08047	31.8
391.09125	2.4
396.09525	3.3
415.09332	6.5
415.14667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.20547	0.4
55.01878	0.5
55.05520	0.5
56.96564	0.9
60.37690	0.3
67.05507	1.1
69.03429	0.8
69.07097	0.4
70.73071	1.2
77.00907	0.9
79.05512	0.7
81.07079	1.4
85.02927	0.8
86.06075	0.5
91.05515	0.7
93.07056	1.2
95.01956	0.6
95.08632	0.6
97.02933	1.3
107.08604	1.2
109.06511	0.7
115.08707	0.6
116.98629	0.4
119.01994	0.4
119.08591	0.9
127.03905	0.6
131.08571	0.6
133.10216	0.5
135.08160	0.5
136.02647	0.4
141.03926	0.4
147.11699	0.6
155.05602	0.5
159.04968	0.5
161.06587	0.6
169.07159	0.6
173.06659	1.4
177.12758	0.6
185.04240	6.6
187.08208	1.6
195.08713	0.7
197.10201	1.3
201.06035	0.6
213.09665	2.4
215.11322	1.7
219.07063	0.6
221.10266	1.0
225.13431	1.1
231.10707	0.7
239.11279	2.4
243.14404	3.3
251.12593	100.0
252.13020	2.9
257.12344	0.9
269.12329	18.0
270.12643	1.2
274.12784	0.5
287.13391	12.6
288.13663	0.8
290.75314	0.4
291.07013	0.4
292.14008	1.0
299.32230	0.4
310.15161	0.9
311.13242	0.5
328.34183	0.4
335.13522	0.6
345.12302	0.6
369.18121	1.8
395.15518	1.0
413.17715	75.7
414.17914	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1783
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03944	1.4
53.50155	1.4
55.01854	1.4
55.05505	2.1
56.96552	3.2
57.03431	2.5
67.05497	3.8
69.03424	5.0
69.07066	4.3
70.06578	8.3
71.04971	1.5
71.59957	1.9
71.60329	1.5
72.08146	2.7
75.47737	1.3
79.05480	3.6
81.03404	5.4
81.07040	4.1
84.04495	2.5
84.08135	4.1
85.02911	7.5
85.06541	2.1
86.09700	4.4
91.05473	9.7
93.07048	4.0
95.08596	3.6
97.02882	3.9
97.06519	1.6
98.97579	2.7
99.04462	2.2
105.07044	4.8
107.04935	6.8
107.08599	4.1
109.02888	2.7
109.06472	1.5
116.07160	1.6
116.98659	2.1
119.08577	3.7
121.06555	1.6
121.10151	1.6
122.06039	3.8
123.00764	11.5
123.08104	2.4
127.03931	3.9
129.10280	1.5
131.08565	2.4
133.10065	1.5
134.99644	1.8
136.07558	2.1
137.06003	2.4
137.09618	1.7
138.05499	3.1
138.09096	1.9
141.01860	4.0
143.08459	1.5
145.05014	1.6
145.10133	3.1
147.08038	2.1
163.11185	2.2
165.08981	1.6
166.05006	2.7
167.06976	1.8
167.10646	1.8
169.01337	12.9
169.08607	4.8
177.00777	1.7
181.59599	1.5
184.06099	2.6
185.04318	1.7
196.04471	1.8
214.05322	2.2
227.12773	2.5
233.11545	2.3
233.15375	1.9
251.12540	81.8
304.11700	2.3
351.17773	66.7
351.22101	3.3
352.17935	2.7
369.15274	7.1
395.16669	3.2
413.17896	100.0
414.18195	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	413.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.50155	1.4
55.01854	1.4
55.05505	2.1
56.96552	3.2
57.03431	2.5
67.05497	3.8
69.03424	5.0
69.07066	4.3
70.06578	8.3
71.04971	1.5
71.59957	1.9
71.60329	1.5
72.08146	2.7
75.47737	1.3
79.05480	3.6
81.03404	5.4
81.07040	4.1
84.04495	2.5
84.08135	4.1
85.02911	7.5
85.06541	2.1
86.09700	4.4
91.05473	9.7
93.07048	4.0
95.08596	3.6
97.02882	3.9
97.06519	1.6
98.97579	2.7
99.04462	2.2
105.07044	4.8
107.04935	6.8
107.08599	4.1
109.02888	2.7
109.06472	1.5
116.07160	1.6
116.98659	2.1
119.08577	3.7
121.06555	1.6
121.10151	1.6
122.06039	3.8
123.00764	11.5
123.08104	2.4
127.03931	3.9
129.10280	1.5
131.08565	2.4
133.10065	1.5
134.99644	1.8
136.07558	2.1
137.06003	2.4
137.09618	1.7
138.05499	3.1
138.09096	1.9
141.01860	4.0
143.08459	1.5
145.05014	1.6
145.10133	3.1
147.08038	2.1
163.11185	2.2
165.08981	1.6
166.05006	2.7
167.06976	1.8
167.10646	1.8
169.01337	12.9
169.08607	4.8
177.00777	1.7
181.59599	1.5
184.06099	2.6
185.04318	1.7
196.04471	1.8
214.05322	2.2
227.12773	2.5
233.11545	2.3
233.15375	1.9
251.12540	81.8
304.11700	2.3
351.17773	66.7
351.22101	3.3
352.17935	2.7
369.15274	7.1
395.16669	3.2
413.17896	100.0
414.18195	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	413.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.96552	0.4
65.92076	0.3
67.05501	0.8
69.03424	0.9
69.07076	0.4
71.59952	0.3
79.05505	0.7
79.15401	0.4
81.07052	1.0
83.04985	0.4
84.04540	0.4
85.02892	0.6
91.05476	0.8
93.07055	0.9
95.08601	1.0
103.05454	0.4
105.07032	1.0
107.04950	2.6
107.08569	0.7
109.06520	0.4
117.06978	0.5
119.08603	0.4
121.10119	0.6
127.03886	0.4
129.06940	0.3
131.08551	0.4
137.02408	0.4
137.06003	2.3
145.10118	0.9
147.11685	0.4
161.06012	0.8
172.08832	0.3
175.07607	0.9
187.03673	0.8
190.07690	0.4
201.05167	0.4
202.06010	13.2
203.06804	1.1
209.08101	0.4
233.07819	0.5
243.08549	0.5
269.10788	0.4
269.18900	0.3
320.13324	0.3
326.87100	0.3
335.12527	0.3
351.12186	0.3
398.13477	0.4
413.15717	100.0
414.16147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19155	4.9
55.01894	6.1
56.05041	6.1
56.96559	18.2
56.99500	5.5
57.03432	6.7
60.04520	9.0
61.04043	22.7
69.03441	28.8
70.06590	100.0
71.59305	7.3
72.08150	15.2
81.03402	14.2
84.04489	25.7
84.08134	17.8
85.02911	50.5
85.07671	10.9
86.09708	27.0
87.05598	76.5
91.05469	11.9
97.02882	22.3
98.97598	17.9
102.05540	7.6
105.07051	10.7
107.04944	14.2
109.02880	9.3
110.07158	13.8
116.07101	10.2
116.98623	16.5
119.04978	12.7
123.04430	6.3
127.03917	17.5
128.98602	8.1
129.10307	8.3
133.06482	13.6
134.99689	12.8
136.06213	43.9
137.06621	13.9
145.04991	6.5
146.99673	17.8
147.04390	45.0
156.07663	14.2
161.06000	12.9
165.05513	11.1
182.09288	6.5
213.12364	11.4
219.01785	18.9
227.02219	6.7
234.11197	12.0
237.02855	40.4
255.03838	8.5
259.06326	7.0
287.07938	7.2
413.05475	8.2
413.10019	8.3
413.14487	10.3
413.19064	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	413.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10667	0.5
56.96559	0.7
69.03446	0.7
69.75831	3.1
74.95547	0.5
98.21403	0.7
116.98597	0.5
185.04205	1.8
205.04730	5.3
209.00238	0.5
234.58270	0.5
237.02798	0.7
250.08136	4.1
251.08888	6.8
272.35028	0.5
297.63983	0.5
348.30667	0.5
371.14349	0.6
413.14185	100.0
414.14624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.37267	0.5
56.05041	1.0
56.96552	1.3
57.02202	0.5
58.60371	0.6
69.03424	0.7
70.06594	5.1
70.28248	2.4
72.08152	1.5
74.06061	3.3
81.22020	0.5
82.73677	0.5
84.04507	0.7
84.08135	1.5
85.02895	2.1
86.09700	1.5
91.05438	0.6
97.02904	0.7
98.97586	0.7
99.04439	0.7
102.05573	1.2
116.07078	0.8
116.98619	0.6
119.03559	2.2
119.27518	0.5
120.06563	8.1
127.03925	0.7
131.04913	0.7
133.44508	0.6
136.06178	100.0
137.04561	1.4
147.04460	0.8
162.04108	64.9
163.03928	1.3
213.12418	0.9
234.76625	0.6
237.02699	1.0
268.10452	1.6
278.72833	0.6
281.09909	45.7
413.14258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1207
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
50.64192	3.9
56.96562	7.1
71.33710	7.6
84.96053	3.9
98.97572	22.2
109.75646	3.2
110.97570	15.1
116.98606	12.5
128.98615	18.8
145.64980	3.6
146.99660	15.0
165.00671	3.2
167.07024	4.3
189.00735	4.1
219.01758	17.8
235.05853	4.1
237.02818	57.0
255.03867	5.8
287.08005	5.5
314.47827	3.8
315.06793	4.0
325.10001	3.5
413.11829	100.0
431.12015	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	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92985	0.9
53.03953	6.6
55.01872	9.2
55.05498	2.2
56.96551	2.0
57.03433	6.8
60.49008	0.9
61.02919	6.4
61.80067	0.9
67.05488	2.8
68.99784	2.4
69.03431	35.8
69.07067	3.9
69.89037	2.7
69.89457	3.1
70.06585	4.5
71.04995	5.9
72.08146	1.9
73.02917	9.3
79.05453	1.4
81.03417	30.6
81.07085	1.4
83.01341	1.4
83.08603	1.0
84.04498	1.9
84.08121	2.2
85.02907	100.0
86.09698	5.5
86.68071	1.0
87.00294	1.8
87.00829	36.3
87.04465	2.3
91.03954	3.0
91.05461	1.9
93.07057	2.1
93.45073	1.0
95.08609	2.2
96.36795	0.9
97.02893	48.4
97.06413	1.0
98.97615	1.2
99.04459	18.4
104.10768	6.8
105.01868	57.1
105.07067	1.2
107.04961	7.5
107.08585	2.1
109.02881	33.5
110.07191	1.6
111.11779	1.3
115.03925	3.0
116.98617	1.4
117.01846	4.1
119.08543	1.5
120.08092	1.7
123.08091	1.8
125.00010	1.7
127.03920	87.5
129.01828	4.0
129.12759	1.6
133.04930	1.6
134.99657	1.2
135.11610	1.4
137.09644	1.4
145.04965	46.4
147.02878	3.3
159.02890	24.1
166.08728	1.1
177.03905	1.4
184.07350	5.8
189.03966	2.1
199.11281	1.1
204.28940	1.0
213.03938	3.4
231.04994	21.5
249.06079	3.2
266.08054	1.1
412.19708	4.8
413.17627	2.1
414.14981	1.1
419.57852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65171	1.2
53.03947	1.9
55.01877	6.0
55.05503	4.7
56.05051	1.1
56.19164	1.1
56.96558	1.9
57.03439	18.1
58.06595	1.1
59.05011	2.4
60.08169	1.8
61.02931	13.2
64.67989	1.2
67.05518	2.2
69.03072	1.9
69.03433	35.0
69.07069	2.9
70.06585	4.7
71.01354	4.3
71.05009	6.3
71.05305	1.0
71.59490	1.2
72.08142	2.7
73.02920	78.8
81.03426	7.4
81.07056	1.5
83.04989	2.2
83.08620	6.5
84.04494	2.2
84.08117	1.2
85.02907	100.0
86.09711	8.1
87.00823	2.0
87.04457	4.6
91.03942	3.9
91.05479	15.7
92.05859	1.6
95.04980	1.8
95.08575	1.1
97.02895	60.4
97.06528	1.4
98.97572	2.0
99.04479	5.5
103.03951	3.2
103.05459	1.7
104.10743	4.2
105.07036	1.7
107.04908	1.6
107.08604	1.3
109.02873	8.4
109.06524	1.9
109.10115	1.7
110.07157	2.2
111.08092	3.1
112.67322	1.3
115.03938	31.2
115.76577	1.1
116.98618	2.6
117.07076	1.2
120.08107	2.0
121.06470	1.8
123.04434	1.6
123.08092	1.4
125.00029	1.6
127.03919	36.5
129.09113	2.3
132.06531	1.7
133.04973	33.3
134.99675	1.3
136.06197	2.2
137.06021	1.5
139.07538	3.5
141.09132	2.1
145.04967	50.7
146.47354	1.2
147.10260	1.1
150.07597	3.3
151.01808	1.0
151.07524	1.4
155.10703	2.4
160.97620	1.1
163.06023	17.8
164.07079	2.8
169.04926	2.4
178.29544	1.2
179.10649	1.5
181.04898	1.2
184.07359	11.4
193.05023	2.1
197.11784	2.6
199.06093	2.8
209.11755	1.9
211.15282	1.2
215.12729	2.1
217.07184	2.6
219.01872	1.2
223.04121	1.1
223.05945	5.9
227.12816	1.5
233.13852	1.3
237.02756	1.2
241.07069	9.1
245.13855	3.2
255.00104	1.5
259.08145	8.4
263.14914	3.8
266.12460	1.2
295.06042	1.5
295.10016	1.9
323.05585	6.9
326.03885	4.5
327.03769	3.6
327.07495	1.8
366.09775	1.7
412.20163	10.8
413.13736	2.5
413.18307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40216	0.7
56.05017	0.9
58.51193	0.7
69.03421	1.3
69.75742	5.0
70.06585	1.8
80.55219	0.8
81.03421	0.8
85.02901	3.3
86.09692	1.7
92.44699	0.8
97.02901	1.2
98.20843	0.8
100.11262	1.7
105.01889	1.3
109.02855	1.0
110.07131	0.9
112.05219	0.7
127.03929	2.5
137.06007	0.8
145.05014	0.9
145.14845	0.7
146.06010	1.5
157.67825	0.8
159.02876	1.1
159.77716	0.9
161.24358	0.7
164.07103	1.1
169.57651	0.8
264.06387	0.9
265.05060	1.0
267.06564	2.0
275.07077	2.7
291.06525	1.2
292.06177	2.7
293.04453	1.4
295.06036	9.5
296.06076	1.1
302.08276	1.3
303.06537	14.9
304.07281	1.2
305.08228	0.9
310.04749	3.3
311.02338	0.9
311.05573	2.8
312.06354	0.9
319.05963	2.8
320.05490	9.3
321.07019	0.8
323.05499	33.0
324.05930	2.1
330.07599	5.6
331.05981	15.4
332.06183	0.9
333.07520	2.2
334.04611	1.9
337.06982	7.5
338.06610	7.6
347.05551	2.7
348.05017	34.6
349.07111	23.3
350.07080	1.9
351.04849	0.7
351.08630	17.9
358.07129	9.3
359.05283	7.4
360.05484	1.3
366.09796	4.5
368.11279	11.1
376.08170	65.2
376.52481	0.8
377.08875	5.2
394.09216	100.0
395.09766	5.4
412.10257	65.5
413.10315	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31449	0.7
52.40577	0.9
53.03934	1.9
55.05507	8.8
56.04064	0.8
57.07064	2.9
57.78936	0.9
59.88969	0.7
65.03920	1.0
67.05499	19.1
69.06721	1.2
69.07065	16.8
69.54449	7.0
71.04982	1.7
71.08574	1.0
79.05489	14.5
81.07051	41.7
83.08623	8.5
85.06528	1.1
87.20338	0.8
89.05691	0.8
91.05476	12.6
93.07037	43.2
95.04937	2.9
95.08601	100.0
97.06523	0.8
97.10153	4.5
99.08087	1.2
105.07023	23.2
107.08588	71.0
109.06549	2.0
109.10147	40.4
111.11728	1.6
117.07016	1.0
119.08574	36.7
121.10136	51.2
123.08050	1.1
123.11688	14.5
125.09518	0.8
128.06232	1.0
131.08546	4.3
131.19899	0.9
133.10124	24.0
135.08022	1.3
135.11682	27.1
137.09618	1.7
137.13240	4.7
139.11198	1.0
145.10127	8.0
147.11665	18.9
149.13245	29.1
150.68410	0.8
151.11189	1.1
151.14806	1.7
157.10089	1.2
159.11688	9.1
161.13240	19.4
163.14813	56.5
164.15172	0.9
165.12769	2.0
165.16383	1.4
171.11647	1.5
173.13226	6.9
175.14807	19.7
177.12755	2.8
177.16380	20.2
179.14320	5.4
181.15898	1.3
187.14824	10.7
189.16367	25.8
191.14336	1.4
191.17938	13.8
196.26535	1.0
199.14810	1.4
201.16362	7.1
203.17953	27.2
205.15906	1.9
205.19551	4.1
207.17464	5.2
215.17914	5.7
217.19492	6.5
219.17461	1.2
221.18858	1.9
224.05588	0.9
227.18005	1.7
229.19499	3.8
231.21033	12.2
233.19067	4.9
233.22658	2.8
235.20410	1.7
243.21072	1.7
247.20551	1.4
255.21051	1.8
257.22684	1.9
261.22232	1.2
271.24078	0.9
273.22238	1.4
288.69162	1.0
297.25815	9.0
315.26901	5.8
323.27301	1.1
341.28333	2.0
393.35104	10.5
404.40228	1.0
411.36209	64.7
412.36615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17704	5.9
54.47561	5.9
55.05507	26.3
57.03426	6.9
57.07057	4.9
62.32144	5.2
67.05514	38.6
69.07057	23.9
70.70168	6.1
70.70512	16.9
71.04965	13.1
79.05505	28.3
81.07063	91.2
82.83250	5.2
83.08608	20.8
83.87009	5.3
85.06544	7.5
91.05486	43.1
93.07041	37.8
95.08597	100.0
97.06527	20.1
97.10199	6.9
99.08070	12.8
105.07034	42.0
107.08572	22.6
109.06527	11.2
109.10130	11.1
113.09657	6.1
117.07021	5.9
119.08560	54.4
119.41238	6.0
121.10122	13.1
123.08045	11.7
123.11736	6.6
123.48265	6.2
131.08572	9.0
133.10114	36.2
133.83040	5.6
135.11679	21.7
137.09642	7.0
137.13246	17.7
145.10114	7.7
147.80035	6.0
149.13437	6.6
159.11758	6.2
161.13242	97.9
167.86714	5.7
179.14282	74.2
197.15312	15.0
218.78482	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	411.362
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05517	10.8
57.07065	7.0
63.64692	2.1
65.03947	1.9
66.46741	2.1
67.05508	19.0
69.07071	24.6
71.04997	2.1
71.41427	3.6
79.05482	14.6
81.07054	51.3
83.08607	8.3
91.05466	13.6
93.07040	44.4
95.04942	2.9
95.08603	83.2
96.26654	2.3
97.10159	6.6
99.08150	2.4
105.07027	27.3
107.08590	72.7
107.36873	1.9
109.06488	1.9
109.10152	45.0
117.07002	2.0
119.08575	30.2
121.10136	51.4
123.08097	3.2
123.11698	18.5
131.08574	7.3
133.10135	23.8
135.11690	27.0
137.13252	6.7
143.08572	2.6
145.10141	8.1
147.11693	23.7
149.13254	40.7
159.11694	6.1
161.13246	21.9
163.14825	73.9
173.13254	4.2
175.14799	19.9
177.12770	2.4
177.16370	29.7
179.14297	6.6
187.14796	13.0
189.16377	32.1
191.17920	17.2
191.58865	2.2
201.16405	7.2
203.17928	34.0
205.19540	5.4
207.17467	4.3
215.18034	6.4
217.19513	8.9
229.19534	3.1
231.21034	18.9
233.18997	6.2
233.22694	2.7
247.24100	3.6
323.27744	2.1
333.08228	2.0
360.48993	2.1
371.18539	2.7
393.35178	9.2
411.36237	100.0
412.36340	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	411.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00580	2.0
53.51893	1.8
55.01870	3.0
55.05513	19.6
57.03432	5.1
57.07072	2.9
64.05448	1.8
65.03945	3.5
67.05505	38.0
69.07068	22.8
69.89590	4.3
69.89999	8.9
71.04985	7.5
79.05494	21.8
81.07059	84.1
83.04992	4.6
83.08606	14.3
85.06546	4.2
87.71753	2.0
91.05483	26.7
93.07043	35.6
95.04996	3.1
95.08604	100.0
97.06516	12.6
97.10182	10.8
98.20789	3.0
99.08085	6.7
105.07026	42.6
107.08584	30.5
109.06515	3.8
109.10147	19.7
111.08084	9.7
113.09640	3.8
118.47420	2.4
119.08584	49.6
121.10132	23.4
123.08058	6.2
123.11704	6.5
129.06998	2.4
131.08600	5.2
133.10127	37.2
135.11688	26.1
137.09598	4.3
137.12335	2.6
137.13211	13.7
145.10098	3.9
147.11688	8.6
149.02304	4.1
149.13260	4.9
155.52415	2.3
159.11749	2.5
161.13249	78.8
162.13707	3.4
163.14760	5.5
173.13242	4.3
175.14871	5.2
177.16373	5.0
179.14317	50.8
180.14685	3.5
189.16422	5.9
191.17976	5.6
197.15395	8.9
203.17929	6.3
247.66452	2.5
282.30624	2.2
339.26895	3.3
357.27798	5.9
375.28952	8.1
389.12946	2.0
409.26877	2.2
411.18259	2.3
411.36237	26.7
412.33875	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	411.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.05516	19.2
57.03445	5.1
57.07066	2.8
61.45796	2.1
67.05505	34.0
69.03377	2.1
69.07070	22.2
69.18268	2.3
69.47228	16.9
71.04984	5.3
79.05496	23.4
81.06577	4.2
81.07059	84.7
83.04994	2.8
83.08620	16.8
83.35899	2.2
85.06558	6.5
91.05482	27.5
93.07040	28.1
95.04959	2.3
95.08608	100.0
97.06539	17.9
97.10166	6.8
98.20621	2.7
99.08099	7.8
104.10754	2.6
105.06371	3.8
105.07033	36.5
107.08591	14.2
109.06508	4.6
109.10168	7.3
111.08059	5.4
113.09637	4.3
115.07578	3.1
117.07020	3.6
119.08589	49.1
121.10153	11.5
123.08047	8.6
123.11775	2.9
131.08563	4.2
133.10124	34.6
135.11700	27.0
137.13239	14.5
145.10135	3.3
149.13266	3.1
151.14818	2.6
161.13257	96.8
162.13647	4.7
179.12732	3.7
179.14310	69.0
185.13205	2.6
193.74048	2.3
197.15315	11.5
199.14702	2.5
309.05441	2.1
347.43304	2.1
357.28000	6.1
375.28888	9.2
411.36157	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	411.272
Annotation	Asbestinin-25
Peak:m/z	Relative Intensity
50.42119	0.6
55.05500	1.1
67.05482	0.9
70.21567	2.4
71.04985	0.6
73.03529	0.6
75.02940	0.7
81.07066	2.0
91.05462	0.6
93.07018	0.9
95.08609	1.3
105.07061	0.7
107.08540	0.8
116.37198	0.5
119.08582	1.0
121.10146	1.2
133.10146	0.8
153.30304	0.6
159.11713	1.1
243.10768	0.6
296.65448	0.6
309.16235	0.5
336.00052	0.6
337.22223	0.8
351.18414	1.3
355.23334	0.9
411.27148	100.0
412.27347	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	411.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01358	2.2
55.05498	7.3
67.05501	10.4
69.03428	3.5
69.07069	9.1
75.49784	1.9
79.05485	17.0
81.07056	38.9
83.04951	2.0
83.08607	4.6
85.06573	1.8
91.05481	19.0
93.07038	38.3
95.04942	5.1
95.08041	3.1
95.08604	37.0
105.06384	3.1
105.07030	44.5
107.08585	40.4
109.06504	4.4
109.10165	12.2
117.07003	5.0
119.08575	53.8
121.06490	2.4
121.10142	27.7
123.08050	5.7
123.11691	4.5
131.08557	15.4
133.10133	27.5
135.04427	2.5
135.08081	3.4
135.11728	8.9
137.06001	2.5
141.07019	1.8
143.07506	2.3
143.08554	7.5
144.09349	2.4
145.10138	21.2
147.07996	2.9
147.11684	41.4
149.13251	90.5
155.08551	3.5
156.09320	5.8
157.10114	15.2
159.08080	3.0
159.11667	31.6
159.12865	3.2
161.09589	8.2
161.13251	100.0
163.03882	9.7
163.14822	18.0
165.09126	2.0
169.10107	5.2
170.10886	2.8
171.08119	2.4
171.11678	23.6
173.09598	2.9
173.13257	20.0
175.11206	4.7
175.14833	47.8
177.00681	2.3
177.12695	2.5
177.16472	2.5
179.10588	4.0
181.10176	2.4
182.10938	3.0
183.11642	5.7
185.13210	11.9
187.14792	7.8
189.12700	5.8
189.16405	5.2
195.11627	2.4
197.13205	5.4
199.14848	11.7
201.16396	3.7
203.14278	7.4
203.17989	3.0
207.10120	3.7
207.13721	3.4
211.14897	3.5
213.16356	2.7
215.14297	4.6
215.17989	5.1
217.12181	7.6
217.15906	8.2
219.13820	4.3
221.11710	2.2
225.16302	2.5
227.17928	3.1
229.19534	5.3
229.84065	2.3
231.13806	5.9
243.13744	5.7
243.21092	3.0
245.15308	6.7
251.17998	2.4
253.19464	4.5
261.14789	5.4
263.16333	3.5
269.15131	2.2
275.16232	2.7
295.06122	2.0
317.11465	2.7
337.07098	4.0
337.21109	2.2
347.27429	3.5
351.26678	3.0
352.16547	2.4
365.28363	5.2
393.27908	20.1
411.28873	85.7
412.13898	3.7
412.29337	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
69.33764	4.7
98.31673	0.4
105.07043	0.5
133.75882	0.5
147.11682	0.5
158.79579	0.4
165.19324	0.5
203.05309	0.4
322.13834	0.7
411.19882	100.0
412.20132	3.7
416.54160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01873	10.5
55.05499	6.3
56.96553	7.1
57.03428	7.4
61.02914	8.4
67.05491	5.7
68.99781	7.7
69.03432	28.9
69.07052	6.3
69.41907	8.6
69.42348	9.9
71.04987	3.5
73.02907	4.9
79.05476	11.9
79.62486	1.9
81.03424	39.3
81.07059	45.0
83.04978	5.7
83.08595	3.1
85.02425	2.8
85.02903	49.4
87.00830	25.0
87.04491	2.2
91.03963	1.9
91.05476	12.7
93.07042	22.7
95.04955	7.6
95.08613	18.0
97.02895	14.7
98.20766	4.4
99.04450	11.2
103.03899	2.7
103.05470	1.9
105.01852	13.9
105.07034	100.0
105.66993	1.9
106.07391	2.1
107.04958	3.0
107.08595	26.5
109.02881	18.9
109.06483	2.2
109.10135	3.5
111.04439	8.2
115.03891	4.6
117.01842	4.3
117.07047	3.8
119.08580	23.0
121.06526	2.3
121.10100	5.9
123.04402	2.6
123.11705	2.4
127.03910	27.9
129.01852	9.4
129.05487	10.5
129.06975	4.5
130.93248	3.0
131.08578	15.6
133.06561	2.2
133.10144	12.2
135.04347	2.8
135.08038	2.6
135.11673	6.1
141.06960	2.5
142.07735	4.0
143.08578	19.3
145.04935	10.1
145.10104	17.0
147.02884	6.3
147.11688	4.9
149.13251	7.7
149.76828	2.2
154.07768	3.0
155.08588	17.3
157.10104	9.7
158.10727	2.1
159.02863	14.2
159.08052	2.5
159.11696	13.7
161.09654	2.6
161.13251	58.3
163.03868	4.9
163.14827	77.2
167.08528	3.4
169.10136	12.7
171.11662	7.3
173.09673	2.7
173.13280	24.4
175.14809	7.6
177.16541	2.6
179.08582	1.9
181.10159	2.6
183.11693	7.2
185.13275	11.2
187.14809	21.1
189.16324	3.9
191.14281	3.3
193.10083	4.3
194.10704	2.8
197.09631	3.1
197.13234	11.9
199.14821	22.6
201.16440	4.4
203.14326	6.3
205.15880	6.0
209.13310	4.0
210.14075	2.2
211.14833	11.5
215.14342	9.8
217.15851	14.3
219.05104	2.4
225.16335	10.4
229.15871	9.2
231.05054	3.4
235.14725	11.0
243.17441	4.5
253.15874	18.4
264.79562	2.5
271.16916	19.9
288.11942	2.6
289.17911	11.8
339.07892	3.4
352.18704	4.0
357.17059	5.6
369.09033	9.2
370.19717	10.7
375.18048	8.4
387.09991	3.1
388.21024	10.4
393.18814	4.0
411.09726	2.7
411.20087	6.2
425.15918	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.4
64.78796	0.3
70.95703	0.8
77.53111	0.3
85.02899	0.5
91.05479	0.4
95.08538	0.3
115.52673	0.3
119.01926	0.6
120.08004	0.3
143.01878	0.5
161.02931	0.7
162.05589	0.3
177.05505	0.3
195.08675	0.4
199.08171	0.4
203.05324	0.5
207.08643	1.7
225.09795	0.9
232.31924	0.3
249.09462	2.8
255.10747	0.4
255.95409	0.3
267.10806	7.0
285.11829	1.1
291.10797	1.4
309.11826	2.2
351.12964	0.9
400.34958	0.3
411.16150	100.0
412.16434	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	411.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60017	0.6
52.84302	0.5
54.50251	0.6
55.01857	0.8
55.05510	7.8
56.05007	0.8
56.05829	2.7
56.96550	0.7
57.03431	0.9
58.99576	1.2
60.99169	4.1
67.05479	0.9
69.03409	2.5
69.07041	0.8
70.06592	3.5
71.37137	0.8
71.37444	0.7
72.08144	1.4
76.02254	0.9
76.03994	1.0
78.01791	1.2
79.05441	0.6
81.03410	1.0
81.07037	0.9
83.06036	0.6
83.08619	9.5
84.04109	0.5
84.04505	6.4
84.08128	0.8
84.08956	5.5
85.02879	1.7
85.04821	2.1
86.09702	0.7
88.98631	2.9
89.98938	0.8
90.01808	0.7
91.05481	1.2
93.07020	0.6
97.02875	1.3
97.06551	0.6
98.97589	1.3
99.05519	0.7
107.08592	1.2
109.02851	0.7
109.06470	0.7
116.01692	3.5
116.98605	1.0
117.01973	0.8
118.01247	9.6
119.01590	3.1
119.08513	0.9
120.08074	0.6
127.03915	1.0
129.10147	0.6
130.04985	0.7
131.08524	0.6
137.05960	1.3
145.01498	0.9
145.04927	0.8
146.00702	4.3
146.99609	0.6
147.01013	1.2
149.09578	1.0
157.06456	0.8
159.08322	1.7
160.08737	1.1
161.05937	0.9
161.07953	4.1
161.09132	0.8
162.02193	3.4
162.08299	4.6
163.02437	2.2
163.03735	0.9
163.11093	0.8
164.01744	15.6
165.02090	6.7
167.06960	0.7
180.53087	0.5
185.04189	2.5
189.05260	1.0
197.12939	0.8
203.05255	2.4
237.02757	1.2
248.06557	5.0
248.70880	0.7
249.07359	8.5
249.09819	0.5
263.11319	1.2
264.10638	4.2
265.11047	7.5
281.13547	1.6
282.13544	3.2
289.45807	0.6
336.14658	2.5
367.13156	0.8
379.09937	0.7
411.12411	100.0
412.12674	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60017	0.6
52.84302	0.5
54.50251	0.6
55.01857	0.8
55.05510	7.8
56.05007	0.8
56.05829	2.7
56.96550	0.7
57.03431	0.9
58.99576	1.2
60.99169	4.1
67.05479	0.9
69.03409	2.5
69.07041	0.8
70.06592	3.5
71.37137	0.8
71.37444	0.7
72.08144	1.4
76.02254	0.9
76.03994	1.0
78.01791	1.2
79.05441	0.6
81.03410	1.0
81.07037	0.9
83.06036	0.6
83.08619	9.5
84.04109	0.5
84.04505	6.4
84.08128	0.8
84.08956	5.5
85.02879	1.7
85.04821	2.1
86.09702	0.7
88.98631	2.9
89.98938	0.8
90.01808	0.7
91.05481	1.2
93.07020	0.6
97.02875	1.3
97.06551	0.6
98.97589	1.3
99.05519	0.7
107.08592	1.2
109.02851	0.7
109.06470	0.7
116.01692	3.5
116.98605	1.0
117.01973	0.8
118.01247	9.6
119.01590	3.1
119.08513	0.9
120.08074	0.6
127.03915	1.0
129.10147	0.6
130.04985	0.7
131.08524	0.6
137.05960	1.3
145.01498	0.9
145.04927	0.8
146.00702	4.3
146.99609	0.6
147.01013	1.2
149.09578	1.0
157.06456	0.8
159.08322	1.7
160.08737	1.1
161.05937	0.9
161.07953	4.1
161.09132	0.8
162.02193	3.4
162.08299	4.6
163.02437	2.2
163.03735	0.9
163.11093	0.8
164.01744	15.6
165.02090	6.7
167.06960	0.7
180.53087	0.5
185.04189	2.5
189.05260	1.0
197.12939	0.8
203.05255	2.4
237.02757	1.2
248.06557	5.0
248.70880	0.7
249.07359	8.5
249.09819	0.5
263.11319	1.2
264.10638	4.2
265.11047	7.5
281.13547	1.6
282.13544	3.2
289.45807	0.6
336.14658	2.5
367.13156	0.8
379.09937	0.7
411.12411	100.0
412.12674	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95519	1.7
56.96310	2.3
56.96558	9.9
67.05472	3.5
71.60120	3.1
71.95249	2.7
74.24094	2.1
81.07076	2.3
95.08588	3.8
106.53230	2.1
123.08031	2.4
133.10170	2.3
133.85208	2.2
139.38228	1.9
146.99681	3.9
148.00453	2.4
149.01254	2.0
159.11658	2.7
189.04237	2.6
199.06436	4.9
201.07942	2.3
203.05881	2.6
211.06435	3.6
212.35158	1.9
215.02365	2.9
217.07448	11.5
229.07469	43.6
247.08549	45.1
252.09000	4.1
257.06882	5.2
258.07758	7.6
259.08600	3.9
276.08771	5.3
333.17358	7.4
351.18329	12.5
369.19458	58.6
387.20544	100.0
410.21805	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	410.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09431	7.9
70.09812	3.8
94.93000	2.9
112.89583	3.7
142.22827	2.0
145.95030	1.8
169.86859	1.8
171.18079	1.9
196.85780	2.5
212.85132	3.8
214.85028	12.4
226.86768	19.4
230.92235	67.7
230.94543	3.7
261.92886	7.5
264.89182	5.7
267.88791	1.6
318.93808	50.1
410.98608	100.0
411.98920	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94287	3.6
56.96565	13.3
56.97013	3.2
61.02938	3.5
66.03509	3.7
69.90760	7.6
69.91171	13.6
84.96040	6.9
85.07655	6.9
98.97600	34.7
105.07016	13.9
110.97568	14.7
111.04321	3.6
116.98612	26.5
119.04931	3.7
128.98616	37.2
131.00134	6.4
133.06487	13.6
134.99635	9.5
146.99648	32.7
147.04381	3.6
161.05977	22.7
165.00664	3.8
177.00644	4.1
189.00760	5.8
190.36746	3.7
193.08553	8.7
219.01758	36.2
233.35222	4.0
237.02827	100.0
249.07242	4.5
252.03093	3.7
255.03868	5.4
270.04071	6.6
321.06375	3.4
361.27136	3.5
378.06311	4.8
393.08386	5.0
396.07220	5.7
411.09915	37.6
429.10663	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	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01853	2.1
55.05503	1.8
56.96556	1.8
57.03433	2.9
57.07073	2.7
61.02919	1.4
67.05486	1.5
67.50324	0.5
68.99796	1.1
69.03423	9.2
69.07056	1.6
69.38531	5.3
70.06599	0.6
71.04591	0.7
71.04987	13.4
73.02904	2.1
73.06541	1.6
75.04449	1.0
78.48492	0.5
79.05476	1.1
81.03418	7.0
81.07053	1.4
83.08588	0.7
84.96015	1.3
85.02902	21.5
86.09705	1.1
87.00824	8.4
87.04475	0.9
87.08091	1.5
91.05435	0.6
93.07022	0.8
95.08621	0.9
97.02888	10.4
98.97565	3.1
99.04440	3.6
105.01864	8.6
105.07041	1.9
109.02879	7.3
109.10161	4.0
116.98640	2.6
117.01849	1.3
117.06969	0.6
119.08555	1.2
120.08096	1.3
121.10164	0.7
123.04403	1.5
126.09060	0.8
127.03917	13.7
127.11187	25.3
128.04216	0.6
128.98596	1.4
129.01797	0.7
131.08524	0.5
133.10150	0.9
134.99635	1.3
143.00258	0.5
145.04962	4.0
145.12227	100.0
146.12567	1.9
146.99667	1.4
149.01189	0.7
158.99617	0.6
159.02863	4.5
161.01233	1.3
163.03896	1.7
163.11154	1.4
177.00679	0.9
180.04120	0.6
188.07930	0.6
197.04790	0.8
203.05394	1.0
204.10153	0.8
219.01752	1.4
220.02165	0.8
221.04790	0.7
222.05176	1.4
231.04964	2.4
237.02788	4.0
238.03188	1.8
240.06152	0.7
248.13145	1.0
323.07922	1.7
324.08337	6.8
341.09125	1.4
342.09424	7.1
365.09076	0.6
366.09479	2.3
381.18961	0.7
410.09564	1.8
410.18646	12.4
410.24283	0.9
411.08856	1.2
411.19965	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.2
57.07070	9.5
59.05003	6.2
64.41228	3.1
67.05503	42.2
69.07069	32.6
69.38490	26.5
71.04985	5.1
79.05493	29.2
81.07059	97.6
83.04950	5.4
83.08618	17.8
85.06569	4.6
90.00957	3.1
91.05479	35.4
91.81374	3.1
93.06541	5.3
93.07056	57.8
95.04961	13.9
95.08610	100.0
97.06545	3.2
97.10181	8.7
105.07042	76.5
107.07873	3.7
107.08596	63.9
109.06508	7.5
109.10162	58.3
111.08090	6.0
111.11769	4.2
117.06998	16.7
119.08588	52.1
121.06544	3.8
121.10145	47.9
123.08073	8.0
123.11723	16.3
129.07007	9.6
131.08566	32.9
133.10138	48.9
133.97542	3.6
135.11690	38.9
137.09592	3.9
137.13255	13.6
139.70863	4.2
142.07793	5.0
143.08531	22.1
144.09381	5.5
145.10117	45.8
146.83113	3.6
147.11708	54.8
149.13258	27.1
151.14737	4.6
155.08498	5.5
156.09322	5.0
157.10147	22.0
159.11719	51.8
161.13284	36.3
163.11200	6.2
163.14833	17.6
165.09157	6.5
169.10129	9.5
171.11690	18.4
173.13278	26.6
175.11186	7.1
175.14867	24.5
177.16365	15.1
183.11713	6.9
185.13269	26.7
187.14792	22.8
189.12683	3.8
189.16391	19.6
191.18040	4.3
195.11635	3.8
197.13226	8.1
199.14870	17.5
200.15533	4.3
201.16434	19.5
203.14218	5.5
203.17966	19.4
205.15811	4.9
209.13277	4.7
210.58217	4.0
211.14890	11.9
213.16414	17.3
215.17914	13.6
217.19450	4.0
221.15315	12.1
227.17924	12.3
228.08484	3.4
229.19548	5.4
231.21095	4.8
239.17923	10.8
241.19508	5.5
253.19514	13.7
255.21062	20.3
257.22589	7.9
267.21021	6.8
271.20578	5.0
273.22137	8.2
281.22723	6.0
283.24246	8.5
286.07098	3.9
297.25723	4.3
309.25513	3.9
349.28851	13.4
365.31900	8.4
367.29843	5.2
391.33649	33.7
409.18539	4.9
409.34680	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36525	1.3
51.46596	1.3
53.03979	1.5
55.05513	11.1
56.37345	1.3
57.07056	4.3
61.95794	1.6
65.03926	2.7
67.05161	2.5
67.05502	26.0
69.03407	1.8
69.07066	23.2
70.79867	3.5
70.80244	3.3
77.89342	1.4
79.05063	2.4
79.05493	31.9
81.07061	37.3
83.04975	2.1
83.08622	10.8
85.06524	1.6
91.05488	15.3
93.07044	32.3
95.04950	4.1
95.08607	85.2
96.08907	2.1
97.06493	2.5
97.10156	4.2
105.07038	26.0
107.08595	100.0
108.08846	2.4
109.06507	3.4
109.10154	43.4
111.08070	3.2
111.11717	2.8
117.07021	5.4
119.07784	2.6
119.08581	37.3
121.06519	2.8
121.10140	50.8
123.08006	2.3
123.11678	12.1
128.53986	1.3
129.06985	1.6
131.08557	9.1
133.08604	1.7
133.10129	32.3
135.08020	5.0
135.11713	24.5
137.09636	1.7
137.13248	3.5
143.08569	4.0
145.10129	23.1
147.11688	18.4
149.09589	1.9
149.12137	2.6
149.13252	23.8
155.08507	1.7
157.10106	5.4
158.10988	2.6
159.11696	13.9
161.09625	2.3
161.13271	15.2
163.11214	12.5
163.14796	14.6
171.11703	4.4
172.95247	2.6
173.13268	10.7
175.11330	2.0
175.13315	1.5
175.14815	27.3
177.12733	3.5
177.16377	44.0
179.14215	1.8
183.11702	3.0
185.13252	4.5
187.14812	17.6
189.12672	2.0
189.16388	17.2
190.96286	1.8
191.17941	7.8
197.13249	2.9
199.14781	3.0
200.64224	1.5
201.16335	6.8
203.14236	3.3
203.17935	34.2
205.15880	76.5
205.19302	3.0
211.14796	2.3
213.16437	3.3
215.17923	7.8
217.15945	1.6
217.19467	2.9
219.17407	4.8
227.17992	3.0
229.19519	5.0
231.17416	3.0
231.21078	3.2
239.18011	2.1
241.19600	3.5
243.21141	2.8
255.21024	2.3
257.22687	2.5
283.23782	2.1
285.25607	9.6
295.24185	16.3
313.25162	16.2
317.24869	2.6
339.26672	4.2
381.34833	2.2
391.33524	6.6
409.34561	52.4
410.34778	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
54.52980	1.2
54.87867	1.3
54.97626	1.1
55.05505	10.6
57.03418	1.1
57.07060	4.2
62.66956	1.1
63.35255	1.1
65.03926	1.5
67.05501	19.2
67.05832	2.2
69.07069	21.2
70.13239	4.4
79.05491	14.9
81.07058	36.6
83.04970	1.5
83.08610	10.0
85.06522	1.3
91.05486	15.7
93.07042	38.7
95.04971	2.6
95.08608	71.9
97.06506	1.1
97.10180	4.6
105.07029	30.0
106.12432	1.1
107.08598	64.6
108.08821	1.6
109.06511	2.3
109.10158	38.2
111.11709	1.8
117.07004	5.1
119.08578	33.3
121.06502	2.5
121.10147	56.5
122.10490	1.2
123.11712	12.0
129.06921	1.2
131.08557	9.4
133.10130	30.9
135.08046	5.5
135.11697	22.7
137.09642	2.5
137.13234	4.2
143.08519	2.9
145.10126	17.3
147.11691	24.2
149.13261	38.9
151.11108	2.1
157.10133	3.8
159.11699	11.0
161.13269	17.2
163.11182	16.1
163.14813	27.0
164.43764	1.2
171.11691	2.2
173.13258	7.7
175.11218	2.0
175.14839	24.1
177.12782	3.7
177.16377	42.1
180.19052	1.3
185.13197	2.3
187.14796	15.8
189.16391	19.2
191.14409	1.6
191.17979	11.4
199.14789	2.2
201.16379	7.1
203.17955	100.0
204.18303	1.9
205.15877	59.9
205.19443	4.3
206.16225	1.9
213.16432	1.8
215.17986	3.8
217.19499	3.2
219.17424	5.9
227.17928	1.5
229.19527	2.6
231.17468	4.6
231.21143	2.9
241.19521	2.3
243.21114	2.3
245.19237	1.4
255.21082	2.5
271.20602	1.8
295.24164	1.7
313.25055	1.3
381.35172	4.1
391.23096	1.4
391.33676	6.3
409.34598	81.3
410.35040	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01657	0.9
55.01871	11.0
55.05509	44.5
55.05782	2.2
55.89227	0.9
57.03422	2.8
57.07067	1.9
59.04997	1.3
59.27329	1.0
65.03952	1.5
67.05502	40.7
69.03431	2.8
69.07063	35.2
70.20256	3.3
71.04594	1.1
71.04992	20.1
73.06554	3.3
77.03894	0.9
79.05490	24.5
81.03397	1.1
81.07053	84.7
82.07352	0.9
82.18438	0.9
83.04973	7.1
83.08137	1.3
83.08617	27.6
85.06543	7.1
87.04459	4.1
91.05479	29.3
93.06464	1.5
93.07040	26.2
95.04971	5.5
95.08603	100.0
96.08935	1.3
97.06526	60.0
97.10164	16.6
98.06847	0.9
99.08069	4.6
101.06014	1.4
103.05445	1.1
105.07024	30.2
107.08587	12.1
109.06551	4.4
109.10152	13.5
111.08076	6.0
113.09671	1.4
115.07596	1.6
117.07020	4.4
119.08579	35.6
121.06479	1.3
121.10145	11.1
123.08068	8.3
125.09621	6.2
127.07555	1.8
131.08554	3.5
132.41234	1.0
133.10124	22.1
135.08066	2.1
135.11697	14.3
137.09604	5.1
137.13242	11.7
141.09155	2.3
143.08533	1.6
145.10085	2.9
147.11620	2.1
149.13246	2.6
157.10091	2.2
159.11673	3.1
161.13251	47.7
162.13611	1.0
165.09163	1.4
175.11166	1.1
177.12729	3.0
179.14299	12.6
187.11182	1.2
189.11168	2.1
193.12296	1.3
195.13797	54.5
196.14235	1.2
199.14854	1.2
211.13287	2.3
213.14844	90.3
214.15149	1.6
221.15308	1.5
249.18239	0.9
258.13379	0.8
355.26382	0.9
373.27313	5.3
391.28424	20.8
409.29596	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05502	11.4
57.07067	4.2
65.03917	3.0
67.05498	24.4
69.07069	20.4
70.10579	2.3
71.59792	2.9
79.05486	21.0
81.07058	57.1
83.08604	8.6
91.05499	15.6
93.07040	44.9
95.04970	3.4
95.08607	100.0
97.10154	3.8
105.06378	3.9
105.07030	48.3
107.08597	75.7
109.06495	5.1
109.10152	46.0
111.08073	12.4
117.07000	4.4
119.08569	44.3
121.06467	2.4
121.10144	43.7
123.08043	3.1
123.11697	17.2
129.07001	3.5
131.08572	16.7
133.10138	34.7
135.11674	29.0
137.13211	2.5
139.11156	2.9
143.08559	7.2
145.10144	32.1
147.11673	38.2
149.13251	41.4
153.60489	2.6
157.10088	11.7
159.11700	25.7
161.13280	25.2
163.11243	4.3
163.14807	19.0
165.12767	6.3
171.11650	9.8
173.13217	16.6
175.14841	24.7
177.12781	2.9
177.16364	23.1
178.95703	2.5
185.13210	12.1
187.14827	30.1
189.16370	22.8
191.17923	8.9
199.14799	9.3
201.16435	17.9
203.17955	35.1
205.15843	17.6
205.19514	6.1
211.14969	2.8
213.16406	13.8
215.17996	12.0
217.15773	3.9
217.19400	4.9
219.17305	3.0
227.17902	6.3
229.19403	5.0
231.17400	5.6
231.21201	4.5
239.17857	3.5
241.19456	6.5
243.21104	4.9
255.20975	12.6
256.08539	2.9
267.21146	4.0
281.22729	3.5
285.25916	3.1
295.24258	5.2
313.25296	7.9
351.30435	8.9
391.33499	12.7
409.34692	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75211	1.2
53.03936	5.7
55.01876	1.6
55.05510	16.1
57.03416	2.4
57.07084	1.6
65.03915	3.2
66.92580	1.3
67.05505	57.0
69.03412	2.0
69.07063	14.7
71.04993	14.2
71.60381	2.3
73.88471	1.6
79.05494	51.3
81.07056	100.0
82.07388	1.5
83.04974	6.0
83.08632	7.2
83.66540	1.4
85.06521	7.5
91.05479	33.5
93.07045	69.9
95.04966	13.1
95.08607	60.8
95.39344	1.5
97.06538	15.6
97.10167	3.4
99.08094	5.3
105.07027	30.4
107.08598	24.3
109.06526	5.2
109.10160	6.8
111.08085	4.9
117.07013	18.0
119.08585	25.1
121.06493	5.1
121.10141	14.6
123.08083	6.4
129.07028	2.5
131.08569	17.8
133.10130	26.2
135.08061	6.2
135.11693	42.3
137.13277	5.6
143.08546	3.6
145.10118	5.3
147.08009	2.0
147.11697	6.3
149.09654	3.2
149.13274	16.5
151.07579	1.6
155.08527	2.6
157.10107	5.0
159.08099	1.7
159.11690	36.3
161.13254	26.7
165.09142	3.3
169.10080	1.7
171.11664	2.3
172.95183	1.7
173.13202	3.5
175.11183	3.5
177.12759	40.2
179.14314	16.9
183.11662	1.9
185.13304	2.0
187.14931	1.8
190.96292	2.2
195.13765	15.8
197.15346	4.3
211.14682	1.6
221.15355	4.5
257.68195	1.5
355.26337	1.9
373.27441	2.7
388.94797	1.4
409.18616	2.1
409.27713	3.4
409.34622	2.6
414.94846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03178	4.5
55.05512	23.3
57.44947	4.7
57.63908	5.5
58.79715	5.8
60.63787	5.6
64.29382	5.0
67.05508	69.7
68.39762	4.9
69.07073	27.9
69.29072	13.7
69.29480	46.2
71.05004	9.5
71.91269	5.7
79.05494	37.2
81.07057	100.0
82.63712	6.2
83.04983	12.5
83.08630	15.7
85.06539	7.5
91.05488	46.6
92.35171	5.3
93.07043	66.8
95.04993	15.0
95.08605	90.9
97.06539	26.7
97.10210	5.7
98.21482	12.8
99.08068	10.6
105.07026	40.5
107.08605	39.2
109.06557	6.8
109.10161	21.4
111.08063	9.5
117.07037	12.1
119.08580	53.5
121.06590	6.7
121.10158	25.5
123.08086	13.3
123.11756	7.0
131.08571	21.4
133.10118	37.9
135.08119	7.2
135.11674	39.0
140.98357	7.1
143.08545	12.0
145.10127	18.2
147.11656	10.4
149.13264	40.6
157.10176	9.5
159.11713	29.0
161.13255	59.8
165.12793	6.0
171.11711	5.7
177.12782	22.7
179.14310	30.6
190.69858	5.5
195.13823	28.8
373.27261	10.9
374.36661	6.6
391.28369	6.5
409.34601	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	409.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01879	11.1
55.05513	34.6
56.96560	2.6
57.03432	3.5
57.07067	3.4
65.03926	2.2
67.05168	3.3
67.05506	44.9
69.03422	2.9
69.06717	3.1
69.07067	39.4
69.71732	6.2
69.72142	4.8
71.04984	18.1
79.05058	2.2
79.05492	30.1
81.03398	3.9
81.07058	86.9
83.04971	6.2
83.08614	32.3
85.06056	1.8
85.06535	6.8
87.04456	4.6
91.05478	28.8
93.07043	34.3
95.04964	7.7
95.08607	100.0
97.02978	1.7
97.06535	56.8
97.10160	13.4
97.86700	2.1
98.20738	3.4
99.08067	3.8
103.05447	2.2
105.07039	35.3
107.08597	24.0
109.06527	5.2
109.10149	18.1
111.08075	7.0
113.06019	2.4
113.09632	3.3
115.07556	2.4
117.06977	5.4
119.08588	35.6
121.10161	15.9
121.42339	2.0
123.08057	7.7
123.11703	2.1
125.09618	7.6
127.07547	2.7
129.07048	3.8
131.08580	9.3
133.10136	27.2
135.08047	4.1
135.11691	16.2
137.09628	5.0
137.13268	13.4
143.08527	3.2
145.10106	9.1
147.11659	6.1
149.09621	2.5
157.10114	3.1
159.11662	7.0
161.13269	45.0
162.30458	1.8
164.77554	1.9
171.11650	3.8
177.12747	3.7
179.14340	13.1
181.10201	1.9
185.13213	3.4
187.14838	2.2
195.11978	3.1
195.13817	48.5
196.14186	2.7
199.14799	3.1
211.14754	1.9
213.14848	87.5
221.15427	2.4
337.25079	2.7
355.26318	7.3
373.27353	9.1
391.28464	27.8
401.36429	2.0
409.25211	45.1
409.29779	12.4
410.26071	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.7
56.96574	8.1
57.03423	4.9
57.07084	6.2
60.63168	5.1
67.05502	52.6
69.07059	20.2
71.04988	9.4
71.59774	8.8
76.38117	6.0
77.58832	5.4
79.05492	50.1
81.07057	100.0
83.04983	5.8
83.08612	12.4
85.06553	12.5
91.05505	27.3
93.07049	57.3
95.04963	10.6
95.08619	61.5
97.06497	16.1
105.07041	21.2
107.08606	29.6
109.10153	13.3
111.11684	5.2
117.07011	10.9
119.08599	30.1
121.06559	6.6
121.10153	16.5
123.08067	10.1
131.08589	13.0
133.10098	26.4
133.41626	5.3
135.11656	38.3
145.10127	17.1
147.11670	9.7
149.13240	18.9
155.08495	6.0
157.10132	13.5
159.11729	30.5
161.13278	25.5
169.10213	6.3
171.11598	6.4
177.12798	24.1
179.14319	10.4
183.11758	8.1
195.13826	10.5
209.13298	6.4
213.49283	7.4
218.85947	5.5
221.13235	6.2
239.18048	6.3
324.91705	6.0
349.16922	7.9
369.19449	7.6
409.25800	65.7
409.30804	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.01849	1.3
55.05509	21.5
57.07076	7.2
59.04998	3.3
65.03927	1.6
67.05501	18.5
69.03446	8.2
69.07067	7.1
69.46159	10.6
71.04990	1.6
77.03905	1.2
79.05493	23.6
81.03399	1.6
81.07051	34.7
83.04972	3.9
83.08614	2.4
85.06535	3.8
91.05482	39.6
91.60155	1.1
93.07039	45.9
95.04351	2.9
95.04965	59.5
95.08606	27.8
96.05274	1.3
97.06520	5.9
103.05450	4.0
105.07026	100.0
107.04948	1.7
107.08591	23.9
109.06522	12.4
109.10159	10.1
111.08040	1.4
112.47669	1.4
115.05486	2.1
116.06255	1.8
117.07025	13.3
119.04992	2.5
119.08578	64.9
121.06500	17.4
121.10146	12.7
123.08074	16.2
128.06227	5.4
129.06979	8.5
130.07761	3.7
131.08548	19.6
132.09338	2.5
133.06468	4.2
133.10120	23.5
135.08032	12.5
135.11662	4.3
137.06058	1.3
137.09605	10.2
141.06996	4.7
142.07776	12.4
143.08577	14.5
145.06502	3.1
145.10126	42.1
145.11281	2.3
146.10764	1.5
147.08049	19.6
147.11679	42.6
149.09618	13.1
149.13242	2.5
151.07536	18.7
153.06996	1.5
153.09081	3.5
154.07790	1.9
155.08572	8.4
156.09337	5.0
157.10115	18.5
158.07269	1.6
158.10887	2.2
159.08102	4.7
159.11703	15.0
160.08806	3.1
161.09587	7.0
161.13254	6.8
163.11208	4.7
165.09119	38.7
167.08582	4.0
168.09344	4.3
169.10120	10.3
170.10867	2.7
171.11719	6.2
173.09608	4.9
173.13211	6.0
175.11169	30.3
175.14745	2.1
177.09149	3.9
178.09964	2.3
179.08609	1.3
179.10670	1.6
181.10143	4.4
181.12231	1.9
182.10854	2.5
183.11665	12.4
185.09584	2.2
185.13252	6.0
187.11140	5.6
187.14839	2.7
189.12775	8.1
191.14453	1.9
193.10164	2.6
194.10944	2.7
195.11754	4.3
196.12463	2.9
197.13300	4.1
199.11243	3.4
199.14827	2.4
201.12737	9.7
201.16400	2.6
203.14270	14.7
207.11948	2.3
207.13826	7.1
209.13264	3.7
209.15193	2.5
210.14049	1.6
211.14813	4.5
213.12721	2.6
213.16455	1.7
215.14279	2.7
216.14972	1.6
219.13809	4.2
221.15350	71.2
222.15775	1.8
225.16310	2.3
229.15968	5.2
231.13895	3.1
233.15527	2.2
234.16115	15.9
235.14703	1.6
239.18005	1.5
243.13974	1.9
253.15916	2.4
269.18945	1.8
286.19293	3.8
287.19992	6.4
293.18811	1.7
299.20175	1.9
300.20776	5.1
329.21109	5.8
353.20947	1.7
391.26233	4.2
409.27325	40.8
409.34854	2.5
410.27545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
54.67455	2.1
55.01873	3.9
55.05507	18.7
56.72430	1.9
57.07072	5.8
59.04993	5.9
65.03926	3.6
67.05506	20.5
69.03422	9.3
69.07061	7.9
70.03008	10.9
79.05486	21.0
81.03392	2.1
81.07059	37.8
83.04966	4.1
83.08607	3.7
85.06528	3.5
91.05473	40.7
93.07041	47.0
95.04963	47.8
95.08603	30.6
97.06520	11.7
98.20693	3.1
103.05486	3.5
105.07030	100.0
107.08594	27.1
109.06531	15.0
109.10155	8.5
111.08057	3.1
115.05442	3.8
117.07003	16.2
119.08575	66.4
120.09352	2.7
121.06499	19.8
121.10114	18.8
123.08059	19.0
128.06204	5.1
129.06969	6.5
130.07751	3.6
131.08548	23.3
133.06468	5.1
133.10135	19.9
135.08031	18.1
135.11687	4.2
137.05943	3.6
137.09576	9.8
141.06989	6.4
142.07770	13.0
143.08553	14.7
144.09367	4.7
145.06531	2.7
145.09019	4.1
145.10115	46.6
147.08073	16.9
147.11678	32.8
147.90852	2.4
149.09592	12.5
149.13228	2.2
151.07529	21.6
155.08522	8.2
156.09396	6.2
157.10141	21.1
159.08066	5.1
159.11664	15.4
161.09624	9.1
161.13261	5.7
163.11143	6.2
163.12419	2.2
165.09106	37.0
167.08572	3.1
168.09299	3.8
169.10077	11.4
171.11723	13.3
173.09575	4.9
173.13235	8.9
175.11194	26.0
177.09105	4.1
179.08534	2.7
181.10132	6.5
183.11671	12.0
185.13222	5.8
187.11198	4.0
187.14807	5.7
189.12773	6.6
195.11703	2.6
196.12459	2.5
199.11134	3.0
201.12747	9.4
201.16420	2.7
203.14311	16.3
207.13812	6.3
209.13327	3.1
209.15292	3.0
211.14771	5.6
213.12738	3.4
215.14191	3.2
219.13733	2.9
221.15353	79.6
229.15906	7.2
231.13815	3.0
233.15324	5.5
234.16194	15.0
269.18982	2.1
269.67218	2.0
287.19958	7.6
300.20816	5.9
329.21069	6.0
373.25299	2.4
391.26077	4.7
409.22379	4.1
409.27283	45.6
409.35339	3.0
410.27722	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01879	2.4
55.05513	21.7
57.07076	11.3
59.04997	3.3
59.96975	2.1
67.05504	31.6
67.15127	2.1
69.03432	9.5
69.07074	18.1
79.05491	25.2
81.07053	47.9
83.04964	5.2
83.08623	5.3
85.06552	3.9
91.05482	41.0
93.07046	48.1
95.04971	43.7
95.08605	41.9
97.06534	12.0
97.10190	4.3
103.05451	3.3
105.07030	100.0
107.08596	35.3
109.06508	16.0
109.10149	24.9
111.08099	3.6
115.05479	4.5
117.07024	18.1
119.08588	73.2
120.04601	2.5
120.09412	2.5
121.06514	20.1
121.10142	21.8
123.08080	19.9
123.11711	3.9
128.06209	5.2
129.07028	8.2
130.07748	4.3
131.08595	25.5
133.06479	8.1
133.10127	24.9
135.08055	16.8
135.11688	8.4
137.09628	8.6
137.13318	4.0
141.06995	3.2
142.07756	12.3
143.08577	19.9
144.09357	3.9
145.10118	43.7
147.08049	21.4
147.11682	41.4
147.12767	3.3
149.09630	14.2
149.13278	4.7
151.07544	29.7
153.09058	4.6
155.08499	11.5
156.09380	4.6
157.10133	30.8
159.08060	7.6
159.11667	18.3
161.09651	9.1
161.13297	8.5
163.11203	5.9
165.09145	30.4
168.09335	5.7
169.10078	16.2
170.10892	3.5
171.11731	15.2
172.73334	2.5
173.09677	6.8
173.13274	8.6
175.11198	23.2
177.09087	4.2
178.09877	2.8
181.10106	6.7
181.12277	5.3
183.11668	16.4
185.13261	7.0
187.11243	3.1
187.14816	4.3
189.12701	7.8
193.12424	2.6
195.11813	3.4
197.13243	2.5
199.11224	4.2
199.14874	4.5
201.09109	2.5
201.12761	8.3
201.16447	3.0
203.14282	14.2
203.18031	3.8
207.11972	3.2
207.13870	10.2
208.12331	2.4
209.09598	2.6
209.13269	5.7
209.15259	3.9
211.14806	10.4
213.12845	5.8
215.14326	3.7
219.13925	2.7
221.13399	3.0
221.15361	67.5
229.15889	9.0
233.15456	4.3
234.16151	9.9
286.19238	4.1
287.20197	13.0
300.20776	3.1
317.21490	2.7
329.21127	4.6
335.20001	3.1
382.81583	2.4
391.26324	7.6
409.27368	61.3
409.33545	4.2
409.38504	7.0
410.27652	3.1
416.07541	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03941	5.3
53.72915	1.7
55.01878	1.6
55.05513	16.3
57.07065	5.4
59.04995	3.4
65.03941	3.2
67.05500	14.5
69.03442	7.2
69.07059	5.9
71.04974	2.1
71.29979	3.9
79.05492	18.8
81.03450	1.8
81.07055	28.5
83.04987	5.3
85.06538	3.1
91.05479	34.4
93.07040	39.3
94.07819	1.5
95.04968	44.6
95.05553	3.1
95.08601	22.2
97.06514	6.1
103.05470	3.4
105.04578	1.9
105.07029	100.0
106.07335	1.8
107.08591	22.4
109.06536	12.2
109.10159	5.6
117.07035	12.9
119.08582	63.6
121.06496	14.2
121.10134	14.5
123.08064	16.6
128.06218	3.7
129.06989	7.5
130.07806	4.6
131.08563	20.8
133.06456	4.5
133.10109	16.6
135.08057	12.6
135.11676	2.0
137.09569	7.8
141.06967	2.1
142.07765	12.6
143.08545	13.0
144.09354	2.3
145.10124	31.1
146.07327	1.8
147.08031	16.5
147.10506	2.5
147.11676	48.7
149.09601	11.0
151.07521	15.6
153.06956	1.6
153.09097	1.8
155.08536	7.5
156.09338	5.0
157.10153	18.7
159.08067	4.2
159.11713	10.2
161.09656	7.1
161.13268	4.3
163.11186	4.7
165.07080	1.8
165.09117	31.9
167.08591	3.4
168.09348	2.9
169.10167	8.1
170.10939	1.7
171.11700	8.0
173.09697	4.4
173.13280	8.4
175.11183	29.8
177.09065	4.3
178.09843	3.3
181.10156	3.6
182.10806	2.0
183.11690	9.2
185.13248	3.3
187.11198	4.1
187.14845	3.2
189.12782	7.0
191.14316	1.7
193.10199	2.2
195.11720	2.0
196.09163	1.8
196.12466	1.9
197.13277	4.0
199.11131	3.5
201.12749	7.9
201.16478	2.3
203.14325	14.8
207.13765	7.2
209.13261	2.0
211.14874	4.4
213.12703	4.0
215.14290	3.4
219.13858	5.2
221.15359	60.4
223.14873	2.6
227.14246	1.7
229.15863	4.5
231.13838	4.3
233.15225	3.6
234.16122	16.9
253.15854	2.5
281.18933	2.1
285.18469	1.8
286.19247	2.7
287.20139	7.5
300.20886	5.2
304.49423	1.6
329.21207	4.6
391.26273	5.8
409.22421	2.8
409.27347	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58144	2.9
55.05504	23.4
57.07078	6.4
59.05003	3.5
63.94490	3.3
65.03948	4.6
67.05499	27.9
69.03421	6.2
69.07065	15.1
70.12257	12.4
74.73993	3.3
79.05498	27.5
81.07059	58.5
81.46404	4.2
83.04977	5.8
83.08611	9.3
91.05486	35.4
93.07047	59.3
95.04977	51.2
95.08607	53.7
95.19557	3.0
97.06550	7.1
105.07030	100.0
107.08585	35.8
109.06513	16.3
109.10164	27.7
111.08096	5.0
115.05429	5.0
117.07007	14.6
119.04911	3.6
119.08583	64.2
121.06474	17.2
121.10143	29.5
123.08063	17.1
123.11684	6.7
125.09621	3.6
128.06226	4.8
129.07001	9.6
130.07774	7.5
131.08557	31.1
133.06487	5.4
133.10146	29.7
135.08041	7.2
135.11673	17.2
137.09636	10.4
137.13286	6.0
142.07805	13.7
143.08546	17.5
145.06535	4.5
145.10129	42.9
147.08081	16.3
147.11685	45.9
149.09671	12.6
149.13274	10.3
151.07509	16.2
155.08569	11.5
156.09390	5.5
157.10182	19.3
159.08087	4.8
159.11693	28.2
161.09569	8.1
161.13246	17.0
163.11209	5.2
165.09126	30.2
167.03427	13.9
167.08516	5.0
169.10135	13.2
171.11700	11.9
173.09637	7.1
173.13283	15.1
175.11203	28.0
175.14818	6.8
177.09152	4.5
181.10167	4.9
183.11719	13.3
185.13248	8.1
187.11209	3.8
187.14874	8.6
189.12756	5.8
189.16472	5.4
191.14398	3.4
193.10175	4.2
195.11844	4.1
197.13321	8.2
199.11235	5.2
199.14822	7.7
201.12753	6.8
201.16409	9.0
203.14336	11.3
203.18109	3.8
207.13837	8.8
209.15427	4.0
211.14841	7.3
213.16467	6.3
215.14195	4.6
221.13330	7.3
221.15366	68.9
225.16302	5.1
229.15872	4.5
229.19559	5.2
231.21088	4.9
234.16153	13.0
235.14729	3.8
250.05006	3.5
253.15840	4.4
285.07507	4.6
286.19339	4.2
287.20053	4.8
328.24039	3.3
329.21109	6.8
331.32428	3.2
349.45056	3.7
391.26288	4.4
391.33621	13.3
409.27292	38.2
409.33777	15.6
409.39108	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01871	1.6
55.05511	18.0
57.07072	7.7
59.05000	4.3
63.45978	1.4
65.03932	3.7
67.05508	18.9
69.03447	7.0
69.07059	8.9
70.70097	2.5
70.70457	2.6
71.04978	1.7
76.98713	1.2
79.05489	23.9
81.03432	2.2
81.07056	36.9
83.04983	4.8
83.08641	1.5
85.06540	3.5
91.05480	36.2
93.07044	45.6
95.04350	2.7
95.04967	50.2
95.08605	31.1
96.08955	1.2
97.06536	4.7
97.10186	1.4
103.05491	3.3
105.07030	100.0
106.07326	1.4
107.04980	2.1
107.08588	24.2
109.06544	11.4
109.10155	9.8
111.08090	1.4
115.05452	2.1
116.06265	1.4
117.07008	12.9
119.04965	2.3
119.08578	66.8
121.06508	15.3
121.10131	17.3
123.08081	15.9
123.11727	2.4
126.04632	1.2
128.06224	5.5
129.07024	6.7
130.07791	5.0
131.08559	21.9
132.09320	1.8
133.06493	4.5
133.10121	17.4
135.08060	13.7
135.11699	4.7
137.06017	1.8
137.09615	9.3
141.07010	3.5
142.07771	13.0
143.08568	13.9
144.09323	2.2
145.06490	2.3
145.10115	31.5
147.08055	17.1
147.11685	44.0
148.08768	1.5
148.12065	1.4
149.09613	12.3
149.13228	2.1
150.10402	1.3
151.07541	19.2
153.06940	3.1
153.09091	2.8
154.07739	1.5
155.08543	7.4
156.09375	5.0
157.10130	18.6
158.10844	1.5
159.08044	6.2
159.11679	15.2
160.08809	2.1
161.09624	8.3
161.13266	5.5
163.11174	4.9
163.14864	1.9
165.07013	2.6
165.09102	35.9
166.07742	1.5
167.08551	2.5
168.09312	3.9
169.10149	10.3
170.10847	2.5
171.08069	1.2
171.11697	8.8
172.08838	1.3
173.09618	5.6
173.13220	7.6
174.98213	1.3
175.11169	27.0
175.14691	1.3
177.09113	4.1
178.09930	3.3
181.10153	5.9
181.12163	1.2
182.10910	2.4
183.11705	9.8
185.09619	1.3
185.13245	4.9
187.11230	5.6
187.14859	2.9
188.21388	1.3
189.12808	6.5
191.14326	2.9
193.10138	2.5
194.10896	1.6
195.11731	4.1
196.12442	2.1
197.13185	3.4
199.11241	2.0
199.14880	1.8
201.12723	10.2
201.16275	2.7
202.13347	1.2
203.14291	16.0
207.11986	2.0
207.13763	6.8
209.13303	3.4
209.15364	2.4
210.13873	1.8
211.11235	1.6
211.14819	5.8
213.12781	2.2
214.13475	1.2
215.14336	2.8
219.13802	3.3
221.13290	3.3
221.15349	64.4
222.15697	3.2
223.14763	2.1
225.16258	2.2
229.15846	6.1
231.13885	3.5
233.13106	1.4
233.15341	3.0
234.16135	18.2
239.14281	2.5
247.17050	1.3
253.15846	1.5
285.18549	1.4
286.19269	4.6
287.20108	6.3
300.20895	5.7
312.20734	1.9
329.21112	4.5
335.19574	1.5
391.26300	4.8
409.27271	35.1
409.34467	3.2
410.27930	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01865	5.4
55.05500	30.1
57.07074	12.6
59.05000	5.1
59.89974	3.1
61.02406	2.9
65.03926	5.2
67.05504	40.1
69.03424	7.2
69.07069	23.6
70.74032	5.8
70.74398	8.6
71.08622	8.7
73.94607	3.6
76.74544	3.3
79.05494	35.6
81.07055	65.2
83.04970	5.8
83.08620	11.9
85.06541	7.4
91.05470	46.9
93.07052	74.3
95.04964	57.1
95.08604	76.8
97.06518	13.0
97.10184	4.4
99.08089	9.7
100.22274	3.6
103.05490	5.6
105.07024	100.0
107.08595	53.9
109.06535	37.5
109.10136	23.6
111.08074	5.2
115.05446	3.9
117.07001	20.3
117.77744	3.6
118.85739	3.2
119.04958	5.4
119.08575	92.9
121.06501	27.5
121.10148	36.3
123.08082	26.1
123.11717	8.4
128.06227	7.5
129.07002	11.4
130.07803	6.3
131.08554	34.1
133.06485	9.7
133.10124	41.5
135.08061	21.2
135.11691	17.8
137.09601	9.8
137.13275	8.1
139.11201	4.2
141.07013	7.2
142.07768	13.8
143.08588	22.0
145.06479	4.4
145.10129	56.7
147.08063	13.6
147.11674	48.2
149.09601	9.1
149.13251	8.1
151.07553	28.2
155.08577	9.3
156.09248	9.4
157.10118	27.1
157.31728	4.0
158.10864	4.8
159.08144	4.1
159.11700	32.9
161.09628	9.4
161.13324	18.1
163.11166	12.8
163.14838	6.9
165.09117	37.1
165.12727	39.4
167.08618	4.5
169.10156	14.9
171.11708	16.9
173.09622	9.8
173.13200	16.8
175.11227	22.4
175.14859	6.5
177.09090	3.7
179.14246	6.2
181.10095	6.7
183.11684	15.6
185.13239	7.4
187.11205	8.6
187.14824	30.1
189.12784	9.8
189.16379	7.4
189.21153	3.4
191.14299	4.9
191.17879	7.0
195.11682	4.1
195.13631	5.1
197.13203	5.2
199.11220	4.5
199.35561	3.3
201.12791	13.1
201.16426	20.7
203.14301	15.8
203.18024	4.9
203.64647	3.4
207.13889	11.4
209.13240	5.2
209.19058	4.9
211.14784	8.6
213.12801	3.3
221.13293	6.9
221.15366	59.4
225.16454	4.7
227.14096	3.5
229.15918	11.1
233.15297	4.7
234.16121	12.3
239.17931	6.4
253.19643	3.8
269.22690	4.1
286.19342	7.2
287.20157	9.0
289.22260	3.8
289.25101	8.9
313.21689	3.7
317.24689	38.7
329.21054	7.0
335.25839	11.9
337.28885	6.3
354.69226	3.7
391.26523	5.8
391.33685	5.3
409.27603	67.9
409.34738	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79356	3.9
52.58960	4.2
53.03939	6.7
55.05512	19.1
57.07073	10.0
59.05009	5.5
67.05499	26.1
69.03430	6.7
69.07059	12.4
71.59512	3.8
71.59878	5.1
74.56243	3.6
79.05489	27.7
79.32030	3.6
81.07044	44.5
83.04977	4.4
83.08614	7.2
85.06549	4.1
91.05479	38.9
93.07036	52.8
93.73709	3.7
95.04961	48.1
95.08595	48.6
97.06525	9.9
105.07026	100.0
107.08581	32.8
109.06522	16.6
109.10163	19.0
117.07012	10.5
119.08574	69.9
121.06481	13.9
121.10131	31.3
123.08060	17.9
123.11695	5.0
128.06250	5.0
129.07030	5.0
131.08559	25.0
133.06500	9.6
133.10103	25.8
135.08061	13.2
135.11690	9.6
137.09636	11.7
140.15068	3.9
142.07788	10.9
143.08551	18.0
144.09349	4.8
145.10112	39.4
147.08061	14.0
147.11679	30.6
149.09613	9.5
149.13263	6.8
151.07547	17.6
155.08571	14.3
157.10162	24.0
159.08086	7.9
159.11697	27.6
161.09554	6.0
161.13248	9.0
163.11284	6.1
163.14775	9.3
165.09116	34.4
168.09366	5.0
169.10132	10.5
171.11702	9.5
173.09602	7.9
173.13255	11.5
175.11189	23.3
175.14784	5.8
177.09200	4.4
177.16455	5.2
180.35643	3.7
181.10201	4.4
182.10738	3.9
183.11638	9.2
185.13272	11.5
187.11165	9.6
187.14853	8.7
189.12711	7.6
191.14557	4.7
196.12547	3.8
199.14841	5.2
201.12730	8.0
201.16379	7.8
203.14360	13.5
205.15898	4.3
207.13780	7.6
209.13330	5.0
209.15298	6.1
211.14828	5.7
221.13303	7.0
221.15350	55.9
221.92947	3.9
229.15892	6.7
233.15393	5.8
234.16180	9.0
281.27567	4.0
287.20142	5.0
300.20828	5.3
329.21207	7.4
391.26028	5.5
409.18640	6.3
409.27176	45.0
409.34766	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	409.2581
Annotation	Dimethamine
Peak:m/z	Relative Intensity
53.03932	2.8
55.01860	2.4
55.05511	15.2
56.96552	3.4
57.03434	3.6
57.07058	2.2
65.03942	2.1
67.05502	29.2
69.03413	2.7
69.07074	14.5
69.64266	3.9
69.64670	11.6
71.04988	14.0
72.65102	1.6
74.97684	1.4
79.05493	25.9
81.06574	2.9
81.07056	54.8
83.04990	3.6
83.08613	12.2
84.02111	1.8
85.06543	13.0
91.05474	25.4
93.07040	28.5
95.04961	6.6
95.08607	66.5
97.06538	18.8
97.10155	3.9
98.21481	2.9
99.08086	7.1
103.05475	13.2
105.07027	35.0
105.07677	3.5
107.04951	75.0
107.08565	15.7
109.06532	2.2
109.10165	7.2
111.04424	1.9
111.08070	2.3
113.09603	2.1
115.05465	6.2
117.07065	3.8
119.08584	26.8
120.05744	1.8
121.06506	1.8
121.10130	10.1
123.04419	4.7
123.08084	5.1
123.11739	2.3
124.05207	3.0
131.04936	6.8
131.08569	3.9
133.06473	2.1
133.10141	22.8
135.08046	22.4
135.11691	10.6
135.12593	1.6
137.09653	1.8
137.13284	5.0
145.07625	2.1
145.10121	5.1
147.11668	3.0
147.37566	1.6
149.13286	3.2
154.06274	2.5
157.10109	2.9
159.11665	3.7
161.13245	45.9
163.07539	65.4
167.07036	100.0
167.30885	2.3
171.11761	2.5
173.13284	3.0
175.07567	1.9
179.14307	38.2
179.15825	2.9
180.07802	3.2
181.08638	3.4
187.14871	5.6
189.16351	2.8
195.10161	49.0
197.15407	6.2
201.16396	2.3
213.11224	64.9
214.11511	2.0
224.92854	1.7
259.09610	2.1
269.60141	2.2
332.81018	1.9
409.25629	62.8
409.30786	3.3
409.34827	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34885	0.4
55.05494	0.7
56.96573	0.9
67.05492	1.3
67.19279	0.5
69.07058	0.6
69.95337	0.9
69.95747	1.9
79.05493	0.8
80.17255	0.5
81.07064	1.2
85.36491	0.5
91.05464	0.8
93.07067	0.7
95.08587	1.1
98.20747	0.6
107.08572	0.8
109.57142	0.5
121.10153	0.7
130.54364	0.5
133.10095	0.5
157.10115	0.5
198.09694	0.5
257.04391	0.7
291.42648	0.5
295.15356	0.6
309.16849	0.9
325.37048	0.6
329.84808	0.5
331.35681	0.6
349.16913	1.0
367.18329	0.7
373.16370	0.9
409.25592	100.0
410.25925	5.5
413.28873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83291	0.4
55.05501	1.4
67.05492	1.9
68.91870	0.5
69.07065	1.3
70.00682	1.0
70.01098	1.5
73.02652	0.4
76.13527	0.4
79.05490	1.5
81.07063	4.6
83.04952	0.6
83.08625	0.7
91.05473	1.2
93.07046	3.6
95.04962	0.6
95.08611	6.5
98.21371	0.7
102.21879	0.4
105.07038	3.4
107.08589	4.8
109.10143	4.3
110.10472	0.4
111.08112	0.5
119.08591	4.6
121.10147	5.2
123.11708	2.0
131.08557	1.8
133.10115	3.4
135.11676	2.3
137.13206	0.5
143.08554	1.1
145.10135	2.0
146.10471	0.5
147.11702	2.6
149.13257	1.5
157.10211	0.6
159.11720	1.8
161.13252	1.5
163.14825	1.0
171.11728	0.5
173.13292	1.8
175.14851	2.2
177.16403	1.5
185.13176	0.6
187.14771	3.1
189.16418	2.2
191.17906	0.6
193.15762	0.6
197.13300	0.5
199.14822	0.9
201.16400	1.7
203.17961	1.6
211.14697	0.5
213.16397	0.9
214.16660	0.5
215.17931	1.0
217.19527	1.1
240.47443	0.5
248.24936	0.4
330.47501	0.5
391.33691	0.8
409.25626	100.0
409.34534	4.9
410.25885	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	409.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.5
55.05513	30.3
55.09676	4.3
56.82324	3.5
56.96564	33.3
57.03436	23.6
57.07077	5.5
61.02895	3.8
62.19361	3.8
67.05503	35.1
67.75102	3.8
69.03432	9.5
69.07066	25.5
70.16499	19.1
71.01353	5.3
71.05003	10.6
71.57237	4.0
73.02923	10.6
79.05495	16.7
81.07056	81.3
83.04984	4.9
83.08616	19.3
85.02902	10.0
85.06549	6.4
91.05463	22.3
93.07040	29.5
95.08602	100.0
97.06529	36.3
97.10170	7.5
98.97573	8.9
105.07016	37.4
107.08591	29.8
109.10151	24.9
111.08084	9.8
115.03899	6.0
116.98613	7.1
117.06995	3.4
119.08581	42.2
119.36774	3.4
121.10138	19.9
123.11684	5.8
128.98627	5.3
131.00175	11.6
131.08586	12.8
133.05005	4.5
133.10133	23.3
134.99661	5.5
135.11702	17.2
137.00996	3.6
137.13248	8.4
143.08531	4.4
145.10114	16.8
146.99652	11.0
147.11674	12.7
149.01236	10.7
149.13268	10.0
155.08572	4.3
159.11694	11.9
161.01262	7.2
161.13257	30.1
163.14807	5.6
167.02264	4.2
171.11641	6.2
173.13226	9.0
175.14867	10.6
177.00743	10.9
177.12801	4.6
177.16368	6.1
179.14293	4.3
185.13194	4.0
187.14848	10.9
189.16353	25.7
191.02380	4.5
195.13806	25.9
201.16364	10.9
203.02179	3.7
203.18025	13.7
213.14807	35.0
213.16588	6.3
271.67282	3.6
272.87430	3.9
277.13852	16.5
293.05414	6.1
297.98093	3.6
317.17697	30.4
318.18771	4.6
333.17276	4.3
335.18945	88.9
343.15952	21.7
343.66058	5.4
353.20175	27.3
358.20520	12.0
391.28610	8.9
391.33466	9.2
409.18341	11.1
409.24030	12.3
409.29828	6.9
409.34534	40.6
409.68069	4.8
425.09695	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	409.2199
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
50.77790	0.7
55.05506	0.8
56.96552	0.6
67.05495	0.8
69.07053	0.7
81.07043	1.6
93.07023	0.7
95.08608	1.6
95.30122	0.6
97.26021	0.6
105.07041	0.7
107.08595	1.1
109.10164	0.8
118.68941	0.6
119.08560	0.7
123.11675	0.6
134.99663	0.8
135.11797	0.6
143.08475	0.7
145.10130	0.6
149.02357	1.3
155.89716	0.6
158.35721	0.5
169.14859	0.6
187.14766	0.7
193.04967	2.3
218.99458	0.7
335.18066	1.0
341.75235	0.7
353.17923	0.8
361.85925	0.7
409.21954	100.0
410.22055	4.5
422.96738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78036	0.4
53.03940	0.6
55.01852	0.5
55.05504	5.8
56.05036	0.6
56.96574	0.6
58.99586	0.5
60.04522	18.1
65.03956	0.6
67.05492	0.5
69.03432	1.4
69.07063	1.5
70.02939	1.2
70.06593	1.9
71.59798	0.5
71.60210	0.5
72.08151	61.0
79.05492	1.5
81.03402	0.9
81.07061	1.4
82.06612	0.4
83.08620	1.6
84.04511	1.1
84.08128	1.5
84.08960	0.5
85.02891	1.6
85.06553	0.6
86.09710	5.3
87.05589	14.1
88.05940	0.6
91.05466	0.9
93.07034	1.1
94.06553	1.4
96.08138	2.1
97.02885	1.3
97.06524	4.8
98.09700	0.7
98.97595	0.9
99.44774	0.4
100.07623	0.5
103.05466	1.2
105.06999	0.6
107.04970	0.9
107.08581	0.9
109.02917	0.7
114.09162	18.7
115.05478	0.4
116.01687	2.0
116.98622	1.0
119.08573	0.6
120.08102	43.9
121.10137	0.6
124.07557	0.6
127.03915	1.4
129.10269	1.0
131.04919	1.0
133.19131	0.4
134.99686	1.3
135.04370	0.5
136.07678	0.5
137.06050	0.8
143.08601	0.7
144.01181	0.9
146.99707	0.6
147.04315	0.4
149.05971	1.0
157.09732	0.8
159.11279	100.0
160.07553	2.9
160.08719	0.5
160.11603	1.0
161.00928	0.5
161.02307	1.0
161.05949	0.8
161.07965	3.0
162.02168	2.4
163.02568	1.2
163.03925	2.1
166.08630	24.0
167.08629	0.5
173.02327	2.2
175.07556	0.5
177.00719	0.5
177.10228	12.2
182.06033	0.4
187.10774	31.1
205.09718	1.6
215.06973	2.7
219.01695	0.6
223.10765	35.2
224.10982	0.5
237.02792	1.5
243.07680	0.6
244.12929	6.3
247.06142	0.6
259.09637	3.9
262.11053	0.9
263.11407	1.7
267.07858	0.4
277.42917	0.5
279.03772	0.4
280.13861	0.8
313.08035	0.9
322.17712	1.2
331.09280	0.9
332.16095	2.2
349.10352	1.2
377.10049	0.5
391.11166	0.9
391.19861	1.4
409.10251	1.0
409.13086	0.9
409.18307	16.3
410.18790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
60.04525	2.0
69.62214	1.7
72.08155	7.8
81.06981	0.2
84.08125	0.4
86.09710	0.6
87.05587	1.8
97.06544	0.3
98.97649	0.3
114.09170	2.2
120.08107	5.7
135.07928	0.3
159.11302	12.5
166.08646	3.1
177.10191	1.4
183.98679	0.3
187.10786	4.0
223.10783	4.4
229.11957	0.4
244.12944	0.6
247.13049	0.5
259.09558	0.4
284.07190	0.4
332.16193	0.3
409.18317	100.0
410.18683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60449	1.0
53.03940	4.6
54.41707	0.9
55.01867	3.2
55.05508	15.0
56.96564	2.5
57.03432	1.4
57.07072	1.3
59.04988	1.1
65.03931	1.8
67.05505	34.0
69.03429	37.1
69.07062	9.8
69.52013	3.5
69.52425	5.3
71.04993	4.3
79.05491	23.5
81.03415	100.0
81.07057	35.0
83.04976	26.7
83.08607	8.3
85.02908	3.6
85.06536	3.9
86.09736	1.1
91.05480	20.9
93.07041	20.6
95.01315	6.4
95.04969	14.2
95.08607	27.6
97.02870	2.8
97.06531	21.2
97.10165	4.4
99.04444	2.2
101.66926	1.3
103.05453	1.2
104.37774	1.1
105.07024	22.7
107.04975	5.9
107.08591	14.9
109.02876	5.9
109.06529	11.3
109.10159	20.8
111.04435	1.4
111.08081	3.5
117.07038	8.9
119.04974	1.2
119.08575	18.0
119.09354	1.7
121.06485	8.6
121.10140	9.4
121.10947	1.5
123.04446	3.5
123.08072	5.8
123.11761	1.5
125.09615	2.3
127.03905	3.2
128.06200	1.0
129.07005	5.6
130.07813	1.0
131.08575	11.9
133.06503	4.2
133.10149	10.0
135.08075	5.5
135.11700	5.1
137.06003	2.0
137.09642	3.6
139.11205	1.1
140.06853	1.0
141.07011	1.6
141.25368	1.3
143.08609	2.5
145.06482	2.7
145.10150	9.3
147.04422	2.9
147.08055	2.4
147.11641	8.2
149.05992	3.2
149.09633	3.3
149.13287	4.2
151.07536	95.4
153.09106	1.4
155.08490	2.4
155.10663	2.2
157.06500	1.5
157.10130	4.1
159.08104	2.5
159.10486	1.4
159.11725	7.9
161.09639	1.5
161.13268	6.8
163.07533	2.3
163.11151	1.3
163.14819	1.7
165.09177	1.6
169.10147	1.1
171.08034	2.1
171.11696	3.1
173.09570	1.6
173.10121	1.5
173.11743	23.1
173.13261	7.1
175.07568	4.6
175.11176	2.6
175.14854	3.4
177.12747	2.5
179.14241	1.3
183.11734	1.6
185.09579	2.4
185.13290	1.8
187.07532	1.5
187.14845	3.6
189.09125	1.6
189.11214	1.3
189.12822	1.6
189.16364	2.5
191.14325	3.7
195.13869	1.6
201.12708	3.0
203.18037	3.0
207.13887	5.6
209.15305	9.2
209.99617	1.2
213.04022	1.2
215.17873	1.9
216.12183	1.2
219.13799	6.0
225.14825	8.2
235.17052	1.1
237.14819	21.9
277.17947	1.4
285.14987	1.2
287.16324	8.1
303.15939	8.6
305.17511	18.4
321.17035	3.2
323.18692	1.9
365.19492	14.4
391.17429	4.9
409.14499	1.1
409.18555	10.5
409.34579	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19717	0.4
55.01836	0.5
55.05506	0.5
69.03421	1.0
70.85476	1.5
79.05512	0.5
83.08602	0.9
84.04525	0.6
85.02891	1.5
95.25014	0.5
97.02869	0.7
97.06554	1.2
98.97568	0.7
105.07029	0.9
109.43472	0.5
116.01682	0.6
116.98544	0.5
117.02026	0.8
120.08121	0.6
136.69409	0.6
148.79918	0.4
149.09515	0.7
156.42920	0.5
162.02226	0.7
163.02542	0.5
163.03865	0.5
215.07178	0.7
223.21515	0.5
223.93478	0.5
259.09576	0.6
263.11545	0.8
391.57300	0.6
409.18317	100.0
410.18686	2.7
427.12772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07214	0.2
55.05503	0.3
55.19414	0.2
55.27158	0.2
56.96566	0.3
67.05481	0.3
69.03392	0.3
69.07068	0.3
70.06577	0.2
70.91360	0.6
77.34091	0.2
79.05483	0.5
80.29319	0.2
81.07038	0.5
86.09701	0.6
87.04354	0.2
91.05473	0.5
97.02930	0.4
97.06533	0.7
105.06995	0.5
107.04875	0.2
107.08588	0.3
119.08532	0.3
120.08120	0.6
121.08475	0.3
163.03893	0.8
165.85617	0.2
201.03839	0.4
203.05344	0.5
229.11887	0.4
231.11548	0.2
247.13033	1.5
355.42194	0.2
409.18295	100.0
410.18668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05513	0.4
56.96553	0.4
58.99583	0.3
60.26181	0.2
67.05489	0.5
69.03422	0.8
69.07050	0.8
70.06576	0.7
70.48178	0.5
70.48579	0.6
71.04969	0.3
79.05471	0.9
81.03401	0.5
81.07048	0.9
84.04504	0.4
84.08135	0.4
85.02908	1.5
86.09681	0.4
91.05475	0.6
93.07030	0.6
95.04939	0.3
95.08613	0.8
97.02882	0.5
97.06531	4.1
98.97576	1.0
99.04436	0.3
105.07017	0.8
106.06551	1.8
107.04949	0.3
107.08575	0.7
109.02886	0.3
109.06482	0.3
116.01662	0.4
116.98602	0.6
117.07024	0.4
119.08577	0.4
121.10141	0.6
123.32722	0.2
125.09587	0.3
126.10005	0.3
127.03970	0.3
131.04875	0.3
133.10136	0.7
134.99646	0.3
135.04430	0.5
135.08072	0.2
135.11682	0.3
140.48190	0.3
143.08557	0.3
144.56491	0.3
145.04929	0.3
145.10143	0.5
155.60928	0.3
156.19893	0.3
158.99686	0.4
161.02415	0.3
162.02213	0.3
163.02715	0.3
163.03888	1.7
173.02386	1.0
177.00687	0.8
182.16470	0.3
185.04317	0.3
191.06985	0.3
199.07397	0.4
213.09132	0.4
215.07051	1.1
227.07008	0.4
229.13454	1.8
231.10289	0.3
235.09746	0.3
237.02852	0.5
247.14694	2.4
259.09671	2.2
272.63272	0.3
305.10141	0.3
390.47482	0.3
394.16367	0.3
409.18314	100.0
410.18661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
56.96565	0.5
67.05486	0.6
69.03458	0.7
69.07051	0.6
69.27294	1.6
69.27718	3.1
70.06577	0.6
72.31608	0.5
79.05493	1.0
81.07056	1.0
91.05489	5.1
92.05836	0.5
95.04968	0.7
97.06525	8.5
98.21494	1.1
99.05540	0.6
103.98363	0.4
107.08562	1.1
108.08932	1.1
111.04488	0.4
116.98671	0.5
117.80668	0.4
125.09608	1.1
126.09954	1.0
127.03907	0.6
133.30907	0.4
135.04361	1.0
145.06149	0.4
160.50294	0.6
163.03908	2.6
167.08572	0.5
189.08983	0.5
195.08046	0.9
213.09140	1.2
215.06958	1.4
229.12140	0.5
231.10133	1.0
247.13026	0.7
259.09662	3.9
260.09552	0.5
268.85962	0.4
285.09467	0.5
382.66833	0.4
409.18307	100.0
409.99460	0.5
410.18689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.8
56.96547	11.0
59.06032	2.6
67.05482	7.3
69.03397	3.8
69.07040	3.5
70.06572	3.6
71.60005	3.1
79.05462	6.6
79.36540	2.4
81.07030	9.1
84.04459	2.7
84.96004	3.0
85.02873	4.7
86.09686	5.5
91.05469	9.0
93.07034	5.7
95.04946	5.2
95.08564	6.2
97.02875	3.2
97.06545	16.2
98.97591	20.5
105.06991	7.6
107.08591	3.8
108.15295	2.1
109.10223	3.2
109.74315	2.4
115.25909	2.6
116.98616	17.1
117.06987	2.6
119.08546	4.3
121.06500	2.9
121.10114	5.4
123.04430	5.8
128.98578	5.5
131.08534	3.1
133.10104	4.4
134.99675	14.7
135.08070	3.6
135.11639	2.9
137.09604	4.9
143.08452	2.9
146.99638	6.9
148.07552	3.7
153.07141	2.2
157.07109	2.7
161.05971	3.7
163.03825	5.3
173.02345	3.0
173.09621	2.9
187.07507	2.9
212.13515	2.7
213.08978	3.1
215.07143	2.7
219.01707	3.2
237.02780	11.3
248.12808	4.2
259.09579	10.1
265.11029	3.0
272.10986	2.8
283.12204	4.3
289.11172	5.7
307.12094	14.5
325.13287	3.4
409.15924	100.0
427.16196	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70509	0.6
53.99920	0.6
55.01868	1.1
55.05503	0.9
55.79240	0.6
55.82433	0.7
56.96569	0.6
64.85571	0.6
65.79135	0.6
66.60033	0.5
67.05502	1.5
68.99806	0.7
69.03419	1.5
69.07062	1.7
69.45060	5.8
70.06596	1.1
71.05012	0.8
72.08115	0.7
79.05499	3.5
81.03420	1.7
81.07053	1.5
83.04969	1.4
84.04553	0.7
85.02905	2.0
86.09708	0.8
87.00815	1.3
91.05474	8.1
93.07056	0.7
95.04968	1.5
95.08607	1.6
97.02885	1.2
97.06539	15.2
99.05605	0.8
105.01876	1.3
105.07024	1.0
107.04971	0.6
107.08600	4.6
108.08931	2.9
109.02887	1.5
109.06522	0.9
109.51291	0.7
119.04941	0.8
123.04480	1.0
125.09589	3.5
126.09950	3.2
127.03924	1.1
127.05006	0.6
129.06973	0.9
129.10236	0.7
130.05025	0.8
135.04443	1.3
137.06041	0.7
145.06160	0.9
145.10133	1.0
161.02318	0.9
163.03900	5.3
173.02379	1.9
174.96979	1.2
175.07574	0.9
185.13235	0.8
189.09172	1.0
195.08138	1.0
213.09163	1.5
215.07066	2.4
231.10175	1.2
248.12621	0.7
259.09659	6.9
355.70239	0.6
368.24545	0.6
409.18335	100.0
410.18646	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	409.0915
Annotation	Torosaflavone C
Peak:m/z	Relative Intensity
55.05497	1.4
56.96568	1.4
61.31530	0.6
67.05499	2.2
69.07072	1.4
71.60004	1.2
74.93563	0.7
81.07056	1.9
85.02891	1.2
90.82328	0.7
91.05493	1.3
93.07056	1.4
95.08606	2.3
99.21645	0.8
105.07040	1.5
107.08613	1.7
109.10152	1.2
110.07188	0.9
119.08685	1.0
121.10123	0.9
123.11691	1.1
133.10103	1.3
145.10132	1.3
153.01822	3.2
161.13322	1.0
237.44395	0.7
242.05721	45.8
253.11067	0.9
255.14380	1.1
257.04428	8.9
259.12283	0.9
269.04456	5.8
270.05194	4.6
271.12109	1.4
285.03931	35.2
377.06604	1.3
393.06238	1.6
394.06827	21.2
395.07596	0.9
409.09164	100.0
410.09491	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.6
60.08160	1.5
67.04239	1.9
69.75377	1.3
70.06582	3.7
71.58669	2.8
81.34997	1.4
84.04531	1.7
84.08163	4.5
85.02911	1.7
86.06049	2.3
97.02898	1.4
97.04025	4.7
98.97656	1.7
103.02441	3.2
110.97549	1.4
116.98666	1.4
119.01948	4.1
120.08105	1.7
125.01714	3.6
126.05483	1.2
127.03243	2.6
129.10246	2.0
131.01917	3.3
133.03476	18.6
136.07584	1.8
137.02962	1.3
143.01889	3.2
143.02800	3.2
144.03140	1.5
145.03432	6.6
146.99602	2.0
147.05125	1.5
151.04509	10.8
153.23836	1.4
155.01926	3.1
157.03485	2.0
159.05055	1.9
161.02953	7.9
169.03496	2.7
171.05045	1.8
173.02997	6.0
175.04494	11.1
182.26318	1.4
185.02966	2.5
187.04486	6.4
189.06056	3.6
191.04019	1.5
199.01250	1.5
199.04607	3.2
201.06059	7.4
203.02271	1.5
211.04556	9.6
212.04597	1.5
217.05640	8.0
229.05693	1.9
251.04755	2.2
262.07254	2.8
271.06595	2.5
277.09137	15.7
278.06918	2.7
289.04086	2.0
295.08737	25.1
296.09039	3.1
303.09457	5.2
304.05035	2.1
306.06357	2.0
307.05396	1.7
308.77853	1.4
318.18680	1.3
321.05362	2.3
322.05771	7.3
349.05063	2.7
350.05029	10.0
351.05124	1.6
391.08087	1.9
409.13239	100.0
410.13379	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
56.96563	22.1
57.07066	1.7
57.59204	1.3
58.98121	1.1
65.21973	1.3
67.05497	1.6
67.55575	1.2
68.35257	1.1
69.03427	2.8
69.07067	14.1
70.06594	3.9
71.04992	2.0
71.59747	2.6
72.08163	2.8
79.05494	2.7
81.03411	3.1
81.07069	2.9
83.08620	4.7
84.96030	10.5
85.02906	6.7
85.45332	1.2
86.09700	3.6
87.00828	2.0
93.07050	1.2
95.04951	2.5
95.08585	2.1
97.02885	2.6
98.97581	36.2
98.98194	2.3
102.97072	1.6
105.01877	3.0
105.07031	4.3
107.04977	1.3
107.08601	1.2
109.02887	2.8
110.97545	6.7
111.08099	1.5
116.44927	1.2
116.98613	31.8
119.08549	1.6
120.08128	2.2
121.10159	1.3
125.13254	2.6
127.03931	5.2
128.98610	14.6
131.00160	4.5
133.06616	1.2
133.10104	1.2
134.99648	21.7
135.07961	1.5
136.07512	1.7
140.98616	2.3
143.00151	4.9
143.14313	4.7
143.29689	1.3
144.98096	2.7
146.99655	15.5
149.01199	3.3
151.07487	1.5
153.00737	4.0
158.99646	6.0
161.01251	11.0
161.85466	1.3
162.99124	6.1
165.00822	1.5
170.99686	4.7
173.01280	2.2
177.00725	15.2
177.02190	2.1
179.02274	3.4
179.03825	15.1
185.13409	1.3
189.00702	7.2
193.05452	1.9
195.01814	3.2
197.04854	16.1
201.00763	4.4
203.03761	2.2
207.01569	1.5
207.03331	1.5
219.01758	22.4
221.04825	21.2
235.06372	1.8
237.02817	55.3
239.05949	9.1
242.03352	1.7
245.04982	3.2
249.04251	1.6
255.03763	6.1
260.04300	2.5
263.05942	5.8
281.07129	1.8
323.07996	100.0
324.08136	2.2
341.09067	97.8
342.09515	3.0
365.09103	34.8
383.10193	11.3
409.09058	14.6
409.18497	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.05504	19.4
56.96552	6.1
57.03428	2.8
67.05495	19.6
68.04980	3.2
69.03413	6.6
69.07069	13.2
69.64944	6.9
69.65359	12.8
79.05481	12.3
81.03384	4.7
81.07053	45.4
81.50739	2.9
81.75529	2.7
83.04967	3.6
83.08610	14.4
84.63185	2.9
85.02904	18.4
85.06551	5.9
91.05478	11.2
93.07028	14.9
95.04974	3.4
95.08604	56.6
97.02870	3.4
97.06548	14.9
97.10164	5.8
98.20792	2.7
99.08077	5.2
105.07029	15.7
107.08576	6.4
109.06498	4.3
109.10159	8.5
119.08582	23.8
121.10138	7.2
127.03918	4.3
133.10129	20.8
135.11703	10.0
137.13275	9.4
149.02338	7.6
161.13266	61.7
179.14313	100.0
193.04956	7.2
197.15308	8.4
211.16940	25.1
229.17981	10.5
237.07602	3.7
269.10574	5.9
358.45441	2.7
387.20477	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	409.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
56.96563	22.1
57.07066	1.7
57.59204	1.3
58.98121	1.1
65.21973	1.3
67.05497	1.6
67.55575	1.2
68.35257	1.1
69.03427	2.8
69.07067	14.1
70.06594	3.9
71.04992	2.0
71.59747	2.6
72.08163	2.8
79.05494	2.7
81.03411	3.1
81.07069	2.9
83.08620	4.7
84.96030	10.5
85.02906	6.7
85.45332	1.2
86.09700	3.6
87.00828	2.0
93.07050	1.2
95.04951	2.5
95.08585	2.1
97.02885	2.6
98.97581	36.2
98.98194	2.3
102.97072	1.6
105.01877	3.0
105.07031	4.3
107.04977	1.3
107.08601	1.2
109.02887	2.8
110.97545	6.7
111.08099	1.5
116.44927	1.2
116.98613	31.8
119.08549	1.6
120.08128	2.2
121.10159	1.3
125.13254	2.6
127.03931	5.2
128.98610	14.6
131.00160	4.5
133.06616	1.2
133.10104	1.2
134.99648	21.7
135.07961	1.5
136.07512	1.7
140.98616	2.3
143.00151	4.9
143.14313	4.7
143.29689	1.3
144.98096	2.7
146.99655	15.5
149.01199	3.3
151.07487	1.5
153.00737	4.0
158.99646	6.0
161.01251	11.0
161.85466	1.3
162.99124	6.1
165.00822	1.5
170.99686	4.7
173.01280	2.2
177.00725	15.2
177.02190	2.1
179.02274	3.4
179.03825	15.1
185.13409	1.3
189.00702	7.2
193.05452	1.9
195.01814	3.2
197.04854	16.1
201.00763	4.4
203.03761	2.2
207.01569	1.5
207.03331	1.5
219.01758	22.4
221.04825	21.2
235.06372	1.8
237.02817	55.3
239.05949	9.1
242.03352	1.7
245.04982	3.2
249.04251	1.6
255.03763	6.1
260.04300	2.5
263.05942	5.8
281.07129	1.8
323.07996	100.0
324.08136	2.2
341.09067	97.8
342.09515	3.0
365.09103	34.8
383.10193	11.3
409.09058	14.6
409.18497	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
55.05497	3.5
56.96561	1.2
57.03441	1.7
61.02895	1.2
62.78203	1.2
67.01867	1.5
67.05510	7.4
67.77477	1.2
68.99798	2.4
69.03421	4.8
69.07065	4.2
70.55538	3.7
79.05483	3.6
81.03411	3.3
81.07054	26.3
83.04948	2.0
83.08604	3.7
85.02921	8.2
85.06538	2.6
91.03914	2.0
91.05471	7.5
92.66746	1.1
93.07034	5.1
95.08587	4.3
97.02879	5.0
97.06519	2.6
99.08105	2.1
105.07034	10.8
107.08600	6.4
107.09190	1.3
109.06499	2.1
119.08566	10.4
121.10111	9.6
123.08015	1.5
123.11713	13.4
127.03922	2.3
127.07508	2.2
137.13200	1.7
139.03838	1.6
145.04956	2.9
147.04419	5.9
147.11691	37.3
148.12042	1.9
153.01822	47.5
165.06996	1.7
165.12747	25.4
171.02864	3.0
177.05472	2.4
180.08592	2.4
183.08028	3.1
183.13861	10.0
187.07504	1.7
193.12265	3.7
204.10168	1.7
210.99136	1.3
211.07510	12.9
211.13293	5.6
211.99435	1.7
214.06332	1.2
229.04921	2.4
229.14351	63.9
239.07002	2.5
242.05659	3.8
257.04468	3.3
257.08063	5.7
258.05139	3.8
265.36209	1.3
283.06042	3.6
286.04755	3.0
315.03577	3.5
326.00763	2.1
337.16547	1.7
343.00974	2.2
344.01419	3.1
355.17349	1.4
357.04532	1.9
361.02258	10.8
362.02597	33.3
363.02600	3.0
379.03299	5.0
380.03683	14.2
381.03458	1.7
385.04254	3.1
409.09183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87484	1.2
56.96563	34.2
66.32761	1.3
67.05487	2.4
71.08627	1.4
71.59367	2.3
71.95240	2.6
74.97596	1.8
79.05501	1.3
81.07047	3.7
82.74052	1.2
84.87930	1.4
85.02878	1.3
90.19073	1.2
91.05479	3.2
92.05849	1.4
93.07005	2.2
95.08611	2.7
97.02835	1.3
100.60035	1.1
105.07029	3.1
106.07421	1.7
107.08555	2.1
109.10130	2.2
115.00695	2.1
119.08564	3.6
129.02222	1.4
131.08542	1.3
132.55795	1.4
133.01768	3.2
145.01697	1.3
145.10133	2.3
146.99718	1.9
147.03267	5.8
149.13240	1.6
155.03787	1.9
159.03334	2.4
165.04379	2.5
167.03792	1.3
171.03267	2.7
173.04849	7.0
183.03267	2.2
185.04831	2.7
189.04337	4.7
191.05887	3.3
193.26967	1.5
199.06430	6.3
201.04332	1.9
201.08018	3.0
203.05911	2.8
211.06578	2.1
213.07877	2.6
217.07536	6.7
219.09042	2.5
225.08066	2.2
225.36017	1.4
229.07449	1.7
231.09030	5.6
237.08012	6.0
239.09503	3.5
243.08990	7.2
251.09297	1.3
255.09035	100.0
256.09299	2.6
257.10602	4.1
259.08502	2.0
261.10150	4.3
267.08972	3.1
269.10660	3.6
273.10071	78.6
274.10461	2.4
278.10635	13.4
283.08411	3.4
285.10141	2.4
296.11765	3.6
331.15833	5.7
339.18436	2.2
349.16824	36.5
350.17099	1.9
367.17892	87.4
368.18155	3.2
372.18466	1.8
385.18964	50.6
386.19894	1.5
390.19348	6.9
403.19885	2.2
408.20404	5.4
408.25241	8.1
408.33472	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	408.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.96294	0.7
56.96565	12.4
67.05489	0.8
70.54784	0.6
70.55160	0.9
71.08629	0.6
73.40228	0.4
79.05465	0.6
80.36289	0.4
81.07055	0.8
84.96012	0.7
85.10175	0.5
86.09702	8.5
89.54370	0.4
91.05494	0.9
93.07048	0.6
95.08604	0.9
97.23671	0.4
105.07031	0.6
107.08553	0.4
115.00716	0.4
121.10099	0.5
132.10207	2.4
137.02701	0.7
137.88055	0.5
139.00676	0.8
141.02245	0.5
145.01701	0.5
147.03204	0.5
155.03754	0.8
157.01744	1.8
159.03296	0.9
165.02333	0.4
167.03712	0.7
169.01715	0.7
169.05489	0.6
171.03313	2.0
173.04840	0.7
175.02763	0.8
176.48546	0.4
179.03789	0.5
185.04865	4.3
187.02861	0.7
189.04288	2.2
191.05894	0.5
193.03694	0.5
193.05322	0.5
195.06891	0.9
197.04915	0.5
199.06412	1.0
203.05896	6.7
211.06400	1.7
213.08009	0.8
215.05873	0.7
217.07474	1.2
221.06799	0.9
221.08771	0.7
223.06409	1.1
229.07477	1.9
231.06926	1.5
237.07901	1.4
239.09575	0.8
241.07521	1.4
241.11067	0.8
247.08514	0.6
249.07967	3.9
255.09021	2.7
265.07321	0.5
267.09024	45.3
268.09473	0.9
273.10114	1.0
277.21631	1.0
285.10083	100.0
286.10324	2.0
290.10544	2.1
303.11160	4.8
308.11697	9.8
332.32770	0.4
349.16721	1.0
362.30518	1.4
367.18085	2.7
385.18982	6.8
408.19934	0.6
408.24500	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	408.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36477	0.9
55.05511	33.5
56.18843	0.8
58.99584	21.4
61.01139	1.4
70.66324	2.1
73.01124	2.5
75.66293	0.8
76.02216	7.9
76.03999	3.7
82.64149	0.9
83.06096	1.9
83.08616	38.2
84.04041	1.7
84.04510	23.1
86.99052	14.8
88.02202	3.5
99.02671	1.0
99.05553	1.5
101.09653	2.6
105.00061	1.1
111.33213	1.1
116.01672	59.7
118.96210	0.9
129.06578	5.6
130.04973	3.6
138.20284	1.0
141.07341	1.1
141.89677	1.0
142.03186	5.4
142.49330	0.9
143.46585	1.0
144.01143	26.7
159.08386	30.9
162.02199	100.0
170.02727	1.3
172.89661	0.9
176.11060	2.6
185.38112	1.0
187.07770	1.1
194.00395	0.9
205.08977	1.4
244.10048	1.7
262.11075	55.6
263.11240	1.2
279.13733	16.6
282.62442	1.2
333.14755	17.3
345.14706	1.1
408.17935	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44700	3.2
56.96561	6.1
66.74264	3.9
69.03457	4.2
69.95463	8.4
69.95875	9.9
70.06586	4.9
85.02902	11.9
91.05502	5.9
93.07026	8.0
95.04926	5.4
97.02911	4.7
98.20795	3.3
103.05416	5.8
120.08115	4.0
121.06489	11.2
123.04482	5.1
133.06476	4.7
149.05997	27.5
163.07584	3.7
166.06247	4.9
167.07043	79.2
181.08594	39.2
201.04587	3.4
211.09651	100.0
219.05350	5.9
219.36256	3.6
325.84149	3.8
346.56952	3.4
408.15506	12.5
409.11252	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.54132	1.2
55.05510	4.2
57.03434	4.4
57.07075	7.9
60.58733	1.1
67.05504	8.0
69.07066	6.7
71.08627	5.6
79.05487	4.3
81.07059	19.8
83.08624	4.8
85.10180	2.5
91.05470	4.5
93.07037	9.6
95.08604	33.8
97.10152	3.0
105.07039	9.5
107.08589	14.8
109.06499	1.1
109.10156	18.3
113.00011	95.1
117.07050	1.3
119.08580	13.5
121.10126	9.8
123.08115	1.7
123.11726	6.1
131.08525	3.2
131.61572	1.2
133.10121	4.8
135.11679	7.0
137.13251	4.8
145.10106	5.6
147.11681	6.5
149.13278	6.8
151.14748	1.5
154.29660	1.5
157.10106	2.7
159.11644	5.7
161.13268	4.3
163.14832	4.5
169.02605	100.0
170.02974	1.6
173.13295	2.8
175.14833	4.7
185.13210	1.5
187.14832	2.9
189.16405	8.2
191.17909	4.4
201.16414	3.7
203.17914	6.7
205.19678	1.6
206.11087	1.3
215.17958	8.4
217.19447	5.7
227.17856	1.5
229.19479	1.5
231.10167	1.4
257.22672	7.4
269.22589	1.7
407.36777	30.3
408.36957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	37.9
56.05033	1.5
58.99588	19.7
61.01155	2.3
70.85398	2.6
73.01150	2.2
76.02236	9.3
76.03998	3.5
77.88306	0.8
79.50436	0.8
81.07064	2.2
83.06098	2.0
83.08623	47.3
84.04510	23.1
85.01144	1.2
86.99058	13.8
88.02234	3.7
88.31663	0.8
99.05586	1.8
101.09658	1.9
105.00117	1.0
107.08606	1.5
108.22141	0.8
109.66538	0.8
115.05764	1.1
116.01682	73.9
129.06590	3.8
129.07393	2.1
130.05031	5.5
136.32245	0.8
141.07318	1.3
142.03235	4.5
144.01147	34.0
145.06088	1.8
159.08405	40.1
160.72334	1.1
162.02211	100.0
176.11108	3.6
179.04915	1.0
187.07901	1.2
205.09045	1.0
244.10042	1.1
245.05803	1.2
262.11102	40.4
262.13916	2.0
279.13760	14.0
333.14725	7.1
408.18134	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.3
55.01854	3.7
55.05514	31.3
57.19716	3.8
58.21326	3.8
61.12360	3.4
64.97280	4.6
67.05500	50.8
69.03430	4.0
69.07069	28.3
69.39949	40.1
71.04985	6.8
79.05492	36.9
81.03425	23.0
81.07058	89.9
83.04981	13.3
83.08610	27.8
85.06536	8.6
91.05479	40.9
93.07052	41.5
94.02525	4.2
95.04967	40.7
95.08610	100.0
97.06546	12.7
97.10175	14.0
99.08089	5.0
105.07030	50.7
107.04940	7.6
107.08584	21.9
109.06499	8.0
109.10147	10.8
111.08067	7.0
113.09645	3.7
117.07023	8.1
119.08580	59.9
121.06489	9.1
121.10148	21.7
123.04392	5.5
123.08083	14.3
125.09599	6.7
129.07019	8.1
131.08546	15.9
133.10143	31.4
135.08139	6.1
135.11702	21.2
137.13268	10.3
142.07739	5.3
143.08548	7.8
145.10121	16.0
145.14603	4.1
147.11720	8.5
149.09657	7.2
149.13351	3.8
155.08481	4.1
157.10103	13.6
159.11658	9.0
161.13257	59.8
163.11084	5.7
171.11781	6.2
175.11182	5.4
179.14310	30.6
183.11673	4.8
187.14832	4.3
193.12238	59.7
199.14954	5.0
211.13226	19.5
219.17441	6.3
223.13220	4.9
233.15617	4.1
325.25049	4.1
353.24750	13.8
371.25766	41.4
372.25790	4.7
389.26767	27.8
407.27716	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
54.08556	4.5
54.48632	3.2
55.01855	6.2
55.05511	28.3
57.07066	8.0
67.05503	51.2
69.07070	33.4
69.55377	8.8
69.55790	22.2
71.04967	6.5
71.08606	3.6
75.00456	3.2
79.05057	4.2
79.05493	50.7
81.03403	6.8
81.07056	100.0
83.04964	11.4
83.08603	16.4
85.06522	6.8
88.58618	3.2
91.05479	75.5
93.07041	72.5
95.04968	16.9
95.08607	98.5
97.06523	17.6
97.10152	9.2
98.34912	3.0
99.08140	4.0
103.05479	5.7
105.07029	70.4
105.07689	7.1
107.04964	6.0
107.08566	36.5
109.06521	14.7
109.10143	22.9
111.08071	6.0
117.07007	10.4
119.08581	75.2
121.06522	6.6
121.10139	29.9
123.08070	14.7
123.11700	7.6
129.07007	21.9
130.57788	3.4
131.08562	31.0
133.06435	4.2
133.10126	73.9
135.11681	16.7
137.13261	16.1
142.07777	6.6
143.08551	11.8
145.10127	22.9
147.08095	6.5
147.11670	37.7
149.09618	7.4
149.13191	9.0
151.11156	4.3
155.08435	5.2
157.10133	45.7
159.11684	24.5
161.13234	56.8
163.14825	7.3
165.12733	6.1
169.10146	6.5
171.11655	7.4
171.82767	3.5
173.13284	14.4
175.11177	43.2
175.14807	11.3
177.12552	4.0
177.16406	5.3
179.14320	23.2
183.11661	5.1
185.13223	7.8
187.14810	10.6
187.39732	3.7
189.16371	4.8
193.12256	45.3
195.11807	4.0
197.13321	4.4
199.14746	6.2
201.16399	14.1
203.14330	4.0
205.15829	3.8
211.13257	14.4
217.19576	3.8
235.14896	4.0
371.25601	6.7
407.25372	8.1
407.32727	10.4
407.37650	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	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.85133	0.7
57.03436	5.3
57.07082	8.0
67.05506	6.2
69.07068	5.7
69.59307	4.3
71.08628	6.1
79.05477	1.3
81.07061	10.6
83.08610	2.9
85.10167	2.1
89.06027	0.8
91.05486	1.3
93.07055	3.9
94.99033	0.9
95.08042	1.4
95.08609	16.9
97.10172	1.3
98.21494	1.0
105.07050	4.7
107.08615	4.7
109.10154	7.3
111.11692	0.8
113.00018	95.1
119.08595	5.0
121.10156	5.4
123.11707	3.4
129.07036	0.9
131.01007	1.1
133.10120	3.6
135.11632	4.0
135.27206	0.9
137.13239	2.7
145.10121	2.3
146.52774	0.7
147.11681	2.9
149.13235	2.7
154.02684	1.1
157.10089	1.1
159.11676	2.8
161.13248	3.3
163.14786	1.9
169.02614	100.0
173.13264	1.8
175.14806	1.5
187.14857	1.5
189.16347	3.7
191.17906	2.3
201.16357	1.9
203.17955	2.7
210.13232	0.8
215.17953	3.2
217.19507	2.3
229.40613	0.8
257.22638	2.9
269.22366	0.7
271.20355	0.7
271.24033	0.7
337.28976	0.9
407.36816	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	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82273	0.3
55.05513	1.2
57.03436	4.7
57.07075	6.1
67.05511	2.3
69.07076	1.0
71.08634	5.4
71.52263	0.5
71.52592	0.6
81.07043	2.2
83.08615	1.6
85.10194	3.0
93.07015	0.5
95.08605	3.5
97.10159	1.1
109.10154	1.8
113.00015	91.5
123.11665	0.8
131.01108	0.7
139.01494	0.5
169.02608	100.0
214.74490	0.3
224.28470	0.4
239.23735	0.6
274.10229	0.4
289.52170	0.4
348.05972	0.4
407.33206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.3
56.96555	2.4
57.02591	1.3
57.07091	1.3
67.05489	3.8
69.07071	2.0
69.57970	8.1
79.05492	3.9
81.07080	6.3
83.08601	1.5
83.86436	1.1
84.08137	1.4
91.05474	1.9
93.07046	4.3
95.08613	5.7
101.42038	1.2
105.07018	2.7
107.08584	4.2
109.10138	3.9
119.08598	3.4
121.10164	3.0
123.11684	1.3
131.08574	1.4
133.10133	3.8
135.11710	1.6
143.08566	1.7
149.13219	1.9
157.10013	1.2
159.11653	3.6
161.13313	1.8
169.10101	1.2
171.11787	1.4
173.13319	2.4
175.26648	1.3
187.14844	2.6
197.13156	1.5
201.16454	1.7
207.17656	1.4
213.16315	1.8
243.20967	1.7
407.24057	100.0
407.33051	4.5
408.24506	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.96557	2.0
65.74330	1.1
67.05503	1.6
69.07059	1.1
70.50932	2.7
75.44688	0.8
79.05498	1.0
81.07045	2.4
91.05468	2.1
93.07040	2.7
94.69108	1.0
95.08602	3.2
105.07043	1.2
107.08595	1.6
109.06530	1.1
109.10156	1.1
119.08588	1.1
123.08113	1.0
143.08589	1.0
157.10193	1.4
171.66801	0.9
216.39351	0.9
326.60208	1.0
407.24048	100.0
408.24170	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
56.96556	1.2
67.05492	0.7
67.24682	0.3
69.43803	2.5
77.21156	0.3
81.07059	1.0
83.08636	0.3
91.05453	0.7
93.07027	1.1
95.04987	0.6
95.08582	0.7
105.07037	0.9
107.08585	1.0
109.06490	0.3
109.10159	0.6
119.08614	1.0
121.10128	0.6
131.08557	0.4
133.10098	0.7
143.08510	0.4
145.10129	0.8
147.11752	0.4
151.07556	0.4
157.10114	0.4
159.11707	0.6
169.49612	0.3
185.04660	0.3
187.12817	0.3
187.14868	0.5
201.16362	0.4
217.07310	0.3
229.07475	0.3
255.09068	1.0
259.08539	0.4
273.10049	1.2
319.18597	0.3
321.16748	4.5
333.20267	0.6
347.15121	0.5
349.16870	0.8
365.16299	0.4
367.17853	1.2
375.87540	0.3
385.18970	1.0
407.24039	100.0
408.24387	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49969	0.4
67.05495	0.6
71.33665	0.8
81.07062	0.8
91.05493	0.6
93.07034	0.7
95.08607	1.0
105.07024	0.9
106.61256	0.4
107.08588	0.6
109.10137	0.8
119.08575	0.5
121.10147	0.4
133.10152	0.6
162.33286	0.5
176.11533	0.5
199.67744	0.5
261.77417	0.4
321.16647	4.7
407.24039	100.0
408.24408	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	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67240	2.2
53.03952	2.0
55.01865	12.0
55.05508	3.2
56.96579	3.5
60.03868	2.9
65.03938	9.8
67.05499	7.0
69.03423	5.6
70.06582	4.4
71.01334	5.9
71.04990	3.4
71.60363	2.6
72.08141	2.2
73.60700	2.0
79.05480	17.1
81.07045	11.8
82.04194	4.0
85.02887	8.4
86.09705	7.1
86.16559	2.2
91.05488	25.1
92.63238	2.6
93.03398	2.8
93.07049	5.6
95.04974	17.4
95.08581	4.3
97.02890	3.5
97.06529	7.5
99.04491	3.3
103.05452	25.8
105.03362	11.0
105.07007	14.8
107.04953	78.7
107.08589	3.8
109.02874	2.9
109.06525	12.1
110.03648	2.5
111.04431	4.9
115.05453	6.7
116.98623	2.4
117.06992	4.7
117.58846	2.0
119.04971	4.5
119.08571	2.6
120.05735	2.7
120.08101	9.5
121.06496	9.1
122.03619	4.8
123.04409	13.7
125.05981	7.5
127.03941	3.6
129.07030	3.7
131.04913	12.7
131.08624	3.6
133.02878	17.4
133.06499	11.6
133.10152	2.8
135.04399	5.4
135.08043	21.4
136.05208	2.6
137.05971	44.6
138.06738	4.5
140.04715	4.3
143.08519	4.0
145.06503	5.0
145.10030	2.6
147.04417	8.5
147.08005	3.7
148.05153	3.8
149.05981	12.9
149.09598	2.7
151.03932	3.3
151.07607	10.5
153.05457	19.2
154.06255	4.5
155.07034	15.3
155.08394	3.8
157.10155	2.7
159.08080	6.9
161.05963	25.7
161.09593	5.4
163.03917	3.0
163.07544	94.7
165.05478	37.5
165.06877	4.2
166.06235	5.3
167.07042	21.7
171.06546	6.2
171.11559	2.8
174.10432	5.3
175.07549	2.6
175.11124	2.9
177.05486	9.9
179.07097	11.1
180.07825	20.4
181.04953	100.0
181.08589	46.0
181.10162	9.3
182.05626	2.1
182.09105	4.9
183.06523	5.0
189.05479	6.2
189.09100	20.2
191.07053	4.4
193.04922	21.3
195.10103	3.1
196.07283	2.5
197.08116	6.7
199.11243	4.1
207.06557	20.4
207.10127	14.1
208.07314	51.1
209.08084	5.9
215.07109	5.6
225.07570	43.0
226.08342	41.5
226.10411	3.7
227.12837	3.8
228.13066	7.1
235.09723	3.4
245.11740	3.0
250.09883	3.3
278.12994	4.3
304.10974	3.9
313.10690	3.5
313.14352	3.1
341.13916	2.1
341.54041	2.1
357.13147	3.9
358.08658	3.1
359.15036	3.7
384.06509	6.8
385.06058	3.0
401.92087	2.4
407.22644	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03240	1.8
55.05513	24.8
56.96529	2.4
65.03948	2.1
67.05495	4.2
69.03422	6.3
69.07043	2.3
69.32731	21.7
71.04995	3.1
73.77033	1.9
79.05475	6.0
81.03426	3.3
81.07032	7.4
83.04981	24.5
83.08616	25.0
85.02891	7.3
85.77846	1.7
86.09699	5.5
88.11677	1.8
89.42622	1.8
91.05473	4.9
93.07049	3.6
95.04966	4.5
95.08586	3.5
97.02875	3.3
97.06515	4.8
105.07069	4.7
107.04913	3.2
107.08595	10.3
109.06533	4.2
109.10145	14.2
111.08070	4.2
114.46461	2.0
117.07010	2.1
119.08567	4.9
121.10110	4.4
123.11694	5.1
123.17570	2.1
125.09636	6.1
127.03927	2.5
131.08545	2.4
133.10132	5.7
134.99631	2.4
135.08064	2.9
136.06171	3.5
149.13297	2.7
151.11197	31.3
159.04201	2.6
159.08038	5.8
163.07536	3.5
167.07085	10.5
167.14317	32.3
173.13239	4.0
177.00854	2.0
181.04881	3.0
181.10101	2.3
191.14299	4.0
209.15359	100.0
214.07037	2.1
227.16306	3.0
254.10143	4.3
271.04160	8.3
282.09448	6.0
310.09094	9.8
328.10031	4.9
356.09537	8.7
407.09326	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
54.52447	3.0
55.01888	4.6
55.05496	15.9
57.03434	4.0
57.07080	3.5
61.02928	7.3
62.47100	3.3
67.05504	14.8
69.03430	20.6
69.07073	26.6
70.06611	3.8
70.86108	8.3
73.02920	3.7
77.03939	3.4
79.05482	12.4
81.03413	10.8
81.07055	16.4
83.04977	8.2
83.08608	13.9
84.16512	3.6
85.02905	52.2
85.06540	11.7
86.09712	3.2
91.05482	16.4
93.07034	26.3
95.04980	4.9
95.08621	24.8
97.02889	15.9
97.06519	10.4
99.04482	4.6
105.07031	27.6
106.02890	5.0
107.04916	3.5
107.08588	100.0
108.09409	3.8
109.02870	7.7
109.06525	9.1
109.10152	26.0
109.30621	3.6
111.04456	3.4
111.08066	9.7
117.31850	3.3
119.08613	21.0
121.02865	46.7
121.10139	93.3
123.08053	11.3
123.11711	12.6
124.03957	13.1
127.03922	6.3
127.07533	5.4
129.07048	4.5
131.08571	25.8
133.10118	75.1
135.08054	12.2
135.11674	46.7
137.09607	10.6
137.13245	8.4
141.09093	9.4
143.08530	7.5
145.04964	4.5
145.10132	11.3
147.11690	14.1
149.09605	4.3
149.13261	12.8
151.11227	6.6
158.10915	9.1
163.14825	87.9
165.12764	7.0
172.01166	2.9
173.13260	88.6
174.13602	3.7
181.15938	5.2
191.14314	71.0
209.15341	25.0
250.07172	6.5
251.94751	3.4
263.54993	4.6
389.13651	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32088	3.4
52.47950	2.9
53.03973	3.4
55.01866	5.1
55.05506	8.0
56.96567	4.7
57.03441	6.9
61.02920	5.2
65.17902	3.1
67.05509	16.1
69.03427	10.9
69.07050	5.4
70.73947	8.5
71.04998	12.3
76.02225	5.6
79.05493	11.6
81.03402	11.3
81.07048	9.5
83.04973	4.4
84.04490	6.8
85.02903	31.5
85.06547	80.8
91.05479	12.0
93.07050	15.4
95.04971	8.3
95.08567	4.9
97.02907	11.8
97.06508	3.6
98.97539	4.3
99.08133	8.4
105.07046	13.8
107.04951	13.0
107.08588	19.5
108.86444	3.4
111.04465	7.5
115.01381	3.2
119.08604	14.9
121.06522	6.0
121.10161	18.6
131.08575	54.2
133.10167	4.5
135.11632	4.7
137.09608	6.0
137.25081	3.6
139.07436	4.3
145.10127	18.2
146.99577	3.8
147.07983	5.0
149.09627	44.8
156.08572	4.6
163.07603	3.6
163.11208	22.5
165.09172	7.7
167.10692	26.4
175.87279	3.5
182.12636	4.1
191.10655	51.7
209.11736	67.3
227.12794	100.0
228.13332	4.6
259.11252	17.2
325.07614	6.1
371.96857	4.3
389.13080	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01862	1.2
55.05507	3.0
56.96556	1.2
57.03422	1.7
61.02906	1.2
66.75478	0.8
67.05500	4.4
69.03416	2.8
69.07067	2.5
70.06577	1.3
71.14584	0.8
71.60299	1.3
72.18306	0.9
76.02225	1.9
79.05489	7.2
81.03411	2.7
81.07059	7.6
82.31968	0.8
83.08630	2.5
85.02901	5.5
86.09652	1.1
91.05470	3.6
93.07041	8.1
93.58598	0.8
95.04959	2.3
95.08597	14.0
97.02885	3.2
99.04455	2.5
105.07036	11.9
107.04947	5.0
107.08603	8.6
109.10152	3.0
110.45341	1.0
117.01991	0.9
117.07021	3.6
119.08581	4.0
121.06497	1.4
121.10172	4.7
125.06003	1.4
127.03860	1.0
128.98589	1.0
135.08055	1.6
135.11688	15.9
143.08598	2.2
145.10115	9.4
151.77061	1.0
162.02301	1.2
163.11185	24.6
163.14777	1.5
163.71613	0.9
166.07756	0.9
167.07031	2.1
171.11664	2.2
173.13312	1.4
174.13612	1.0
179.04828	2.5
179.14351	1.3
181.10121	2.4
181.12239	5.8
191.14328	1.3
199.11172	1.8
209.11684	1.3
209.15338	1.4
209.86259	0.9
210.95750	1.1
217.12329	1.8
227.12776	100.0
228.13243	1.5
275.81189	1.0
314.12277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.05496	1.9
56.05037	6.2
57.03435	4.9
58.99585	11.0
67.05501	0.8
68.05013	1.1
69.07064	1.5
70.02959	0.9
70.06581	1.6
70.90453	1.6
70.99586	0.6
71.04966	0.6
72.08150	1.0
73.01125	1.3
74.00650	2.2
76.02225	18.7
76.03992	2.5
79.05501	3.7
80.04992	0.9
81.06570	1.0
81.07053	18.1
83.06105	2.2
83.08602	0.6
84.04501	24.5
84.08132	1.2
85.01115	2.6
85.06541	0.8
86.00656	4.0
86.09711	0.8
86.99040	4.8
87.02688	6.2
88.02204	1.6
93.07053	0.8
94.06545	0.9
95.08591	3.5
96.08147	0.9
97.01096	0.8
97.06506	2.1
98.09692	10.9
99.05576	0.9
99.08107	5.5
102.05547	4.8
105.07019	1.6
110.09663	2.0
111.08079	1.0
112.03976	3.7
113.04224	6.5
114.03738	0.7
114.05542	0.7
115.05772	1.7
116.01677	21.0
120.08083	0.7
122.09646	2.2
123.08071	1.2
123.10429	0.9
127.05766	0.7
129.06526	2.7
129.07399	0.7
130.04999	8.4
130.05858	1.0
130.06830	4.7
130.08656	1.6
131.08549	1.2
138.43573	0.6
139.05798	1.9
142.03215	2.4
143.02754	1.1
144.01137	8.5
145.06047	1.3
145.10001	0.7
147.04375	1.6
149.09637	0.9
156.08414	19.9
156.10185	10.7
157.06816	9.7
162.02196	21.5
167.07030	9.6
170.02792	0.7
174.09477	12.9
177.05373	0.9
179.04863	10.1
188.03786	1.1
189.03247	0.9
191.10695	0.8
209.08109	2.0
209.11736	2.3
210.11328	3.0
215.04878	0.9
216.06871	6.7
227.09175	3.0
227.12924	0.7
233.05884	1.8
242.08473	1.1
245.05968	0.6
259.11111	100.0
260.09152	1.2
260.11490	2.5
272.06433	0.6
277.12067	0.6
285.12567	1.1
291.06290	0.9
313.09009	0.9
313.12064	4.4
331.13229	6.3
343.13123	0.9
388.15256	1.7
389.13745	1.0
406.16455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05504	3.0
56.05031	7.3
56.96558	2.3
57.03436	4.8
57.84624	0.7
58.99586	10.8
61.01158	0.8
65.03936	0.8
67.05497	0.8
68.05010	1.8
69.03408	2.0
69.07065	1.7
70.02936	0.9
70.06584	5.0
71.58959	1.0
72.08141	2.2
73.01116	1.3
73.02887	0.9
74.00658	2.1
75.16436	0.7
76.02225	19.2
76.03990	1.9
79.05486	5.7
80.05017	1.4
81.06578	1.1
81.07050	16.3
83.06094	2.0
84.04502	28.3
84.08129	2.5
85.01112	2.9
85.02887	3.3
85.06538	1.0
86.00654	4.2
86.06033	0.9
86.09708	3.3
86.99052	4.6
87.02677	4.6
88.02207	2.1
91.05470	1.2
93.07034	1.5
95.04984	1.6
95.08595	4.1
96.08118	1.3
97.01089	1.3
97.02880	2.2
97.03995	1.1
97.06517	2.5
98.09692	12.5
98.97573	1.4
99.05562	1.2
99.08081	5.2
101.00607	0.8
102.05522	4.4
103.05464	0.9
105.00109	0.8
105.07016	2.4
110.07149	1.0
110.09668	1.9
112.03955	3.4
113.04221	7.6
114.05469	0.7
115.05789	1.1
116.01677	20.0
116.98635	1.1
119.04974	1.2
122.09673	1.6
123.04375	0.8
123.08055	2.0
127.05804	2.0
129.06551	3.7
129.07410	0.9
129.10193	2.1
130.05011	7.0
130.06866	3.4
130.08603	1.2
135.64871	0.6
136.07556	1.0
139.05794	1.5
142.03210	1.3
143.02773	1.0
144.01149	6.5
145.04980	0.9
145.06012	1.8
146.99643	0.8
149.06030	1.1
156.08414	17.7
156.10190	12.9
157.06862	7.5
161.05954	0.9
162.00951	1.4
162.02200	16.9
163.03888	1.7
165.05479	1.2
165.66635	0.7
167.07056	3.4
168.07373	0.9
174.09497	13.7
177.00645	0.8
179.04817	7.1
189.03268	1.1
203.07324	1.1
208.42719	0.7
209.11992	0.9
209.15370	2.2
210.11183	1.6
211.07088	1.2
216.06915	4.0
219.01736	1.1
227.08992	0.9
227.12863	1.0
233.06032	1.7
237.02719	1.6
239.02003	0.8
244.05725	2.0
245.05879	1.3
259.11108	100.0
260.11572	1.2
285.12659	2.0
313.12140	2.5
331.13159	5.7
343.13092	1.0
365.05469	1.8
406.10861	5.1
406.16223	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	405.2997
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
69.07061	10.5
71.60303	10.4
83.08607	7.8
91.05486	13.6
93.58429	6.2
94.05478	8.4
95.08625	7.0
95.31299	6.5
97.10166	15.0
98.84662	7.1
119.04947	24.0
147.04416	100.0
165.05470	12.1
169.02647	7.9
204.25955	6.2
254.40649	7.0
307.60764	7.0
429.22858	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	406.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01862	0.2
57.03438	0.3
58.06603	0.4
63.14015	0.2
65.03935	2.3
69.03426	1.3
69.44058	1.1
69.44469	0.5
70.06578	0.5
71.01375	0.4
71.04981	0.2
73.02897	0.2
78.03439	2.1
79.05497	0.2
80.05013	0.6
81.03409	2.0
84.04494	0.4
84.08116	0.3
85.02892	1.6
91.05476	0.6
95.04963	2.5
96.04498	1.2
97.02913	1.0
98.20715	0.2
98.97580	0.3
99.04456	0.4
106.02911	8.6
107.08559	0.2
109.02878	2.7
110.59766	0.2
111.04440	2.1
116.98611	0.4
119.08595	0.3
121.02862	100.0
122.03207	1.0
124.03946	24.6
125.04251	0.3
127.03877	1.1
131.08566	0.3
134.44510	0.2
139.03893	2.0
145.10213	0.3
166.05013	0.4
189.12813	0.3
189.59482	0.2
232.06020	0.4
247.06197	0.3
250.07123	3.1
254.09930	0.2
268.08148	8.6
282.09613	0.5
310.09003	0.9
328.10172	0.5
332.09653	0.3
356.09677	1.1
370.09152	2.6
374.10373	0.2
388.10196	5.0
406.11221	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.81702	5.1
53.03924	5.9
55.01864	13.3
55.05510	35.4
56.57018	4.9
57.03426	13.9
57.07069	11.6
58.91698	5.9
67.05500	67.8
68.57553	4.9
69.03429	99.0
69.07068	33.3
71.04993	7.6
71.60755	7.8
78.26010	5.9
79.05505	59.3
81.03401	24.7
81.07057	87.5
83.05020	11.7
83.08608	21.5
85.02885	7.6
85.06504	5.8
86.09680	7.4
90.87519	5.7
91.05476	65.1
93.07048	78.0
95.04958	16.6
95.08610	73.5
97.02923	27.7
97.10147	11.8
104.99255	8.6
105.07034	67.5
107.04944	10.8
107.08604	52.3
109.02837	9.4
109.06557	7.5
109.10141	37.9
111.04430	13.1
113.00021	97.6
117.07021	30.4
119.08578	52.7
121.10168	36.7
123.08083	7.2
123.11685	16.5
125.09578	8.1
127.03925	29.0
128.06241	8.0
129.07002	18.5
131.08575	50.0
133.06508	10.2
133.10114	37.1
135.08002	9.2
135.11694	33.9
141.06963	8.2
142.07695	5.1
143.08574	25.1
143.21440	5.8
145.10138	41.4
147.08073	10.8
147.11656	26.9
149.09616	9.2
149.13240	15.5
154.94122	5.6
155.08580	9.5
157.10117	25.3
159.11673	38.4
161.09555	6.3
161.13242	21.2
165.49689	5.6
169.02617	100.0
169.10147	10.5
171.11673	19.0
172.95201	8.2
173.13321	26.1
175.14867	7.8
183.11691	13.1
184.76295	5.3
185.13274	19.8
187.11179	8.3
187.14807	8.5
190.96205	10.4
195.11736	6.6
197.13181	7.9
199.14792	14.2
201.16371	8.1
213.16362	7.3
229.19525	9.2
241.19582	8.0
243.21136	6.6
250.68956	5.5
259.20605	5.2
261.22037	12.7
271.20566	5.8
289.21671	10.7
295.72980	5.5
301.21582	11.2
303.23080	9.1
306.79587	6.1
315.23105	10.9
319.22885	5.4
327.23080	7.5
331.22427	7.1
341.24704	14.2
345.24203	6.9
351.23117	20.1
359.25824	6.6
369.24255	60.4
387.25192	46.1
405.26480	69.9
405.35135	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	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81702	5.1
53.03924	5.9
55.01864	13.3
55.05510	35.4
56.57018	4.9
57.03426	13.9
57.07069	11.6
58.91698	5.9
67.05500	67.8
68.57553	4.9
69.03429	99.0
69.07068	33.3
71.04993	7.6
71.60755	7.8
78.26010	5.9
79.05505	59.3
81.03401	24.7
81.07057	87.5
83.05020	11.7
83.08608	21.5
85.02885	7.6
85.06504	5.8
86.09680	7.4
90.87519	5.7
91.05476	65.1
93.07048	78.0
95.04958	16.6
95.08610	73.5
97.02923	27.7
97.10147	11.8
104.99255	8.6
105.07034	67.5
107.04944	10.8
107.08604	52.3
109.02837	9.4
109.06557	7.5
109.10141	37.9
111.04430	13.1
113.00021	97.6
117.07021	30.4
119.08578	52.7
121.10168	36.7
123.08083	7.2
123.11685	16.5
125.09578	8.1
127.03925	29.0
128.06241	8.0
129.07002	18.5
131.08575	50.0
133.06508	10.2
133.10114	37.1
135.08002	9.2
135.11694	33.9
141.06963	8.2
142.07695	5.1
143.08574	25.1
143.21440	5.8
145.10138	41.4
147.08073	10.8
147.11656	26.9
149.09616	9.2
149.13240	15.5
154.94122	5.6
155.08580	9.5
157.10117	25.3
159.11673	38.4
161.09555	6.3
161.13242	21.2
165.49689	5.6
169.02617	100.0
169.10147	10.5
171.11673	19.0
172.95201	8.2
173.13321	26.1
175.14867	7.8
183.11691	13.1
184.76295	5.3
185.13274	19.8
187.11179	8.3
187.14807	8.5
190.96205	10.4
195.11736	6.6
197.13181	7.9
199.14792	14.2
201.16371	8.1
213.16362	7.3
229.19525	9.2
241.19582	8.0
243.21136	6.6
250.68956	5.5
259.20605	5.2
261.22037	12.7
271.20566	5.8
289.21671	10.7
295.72980	5.5
301.21582	11.2
303.23080	9.1
306.79587	6.1
315.23105	10.9
319.22885	5.4
327.23080	7.5
331.22427	7.1
341.24704	14.2
345.24203	6.9
351.23117	20.1
359.25824	6.6
369.24255	60.4
387.25192	46.1
405.26480	69.9
405.35135	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	405.2635
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03935	8.6
55.01865	12.5
55.05509	38.9
57.03417	9.3
57.07063	6.3
59.04990	3.0
67.05167	5.3
67.05502	84.8
69.03439	27.2
69.07067	37.1
69.37042	30.5
69.94903	2.8
71.01332	5.4
71.04980	8.7
73.02920	4.1
75.42641	3.3
76.99859	2.8
79.05494	74.2
81.03420	30.0
81.07056	88.7
83.04990	24.6
83.08630	14.1
85.02898	15.0
91.05482	78.4
93.07047	80.0
95.04970	20.6
95.08039	5.3
95.08607	68.3
97.02885	13.6
97.06531	14.5
97.10150	9.3
99.04445	8.2
99.08095	3.4
103.05492	3.7
104.99278	4.6
105.07027	82.0
107.04949	10.1
107.08595	43.8
109.02877	6.3
109.06496	14.9
109.10170	30.8
111.04434	15.8
111.08080	5.7
113.05977	4.7
115.03972	3.4
115.05425	4.8
117.07009	38.1
119.08582	64.6
121.06519	11.8
121.10146	36.6
123.04398	3.2
123.08082	9.3
123.11699	10.6
125.09633	4.4
127.03912	6.1
128.06241	8.3
129.05479	6.5
129.06999	26.2
130.07808	4.9
131.08569	51.7
133.06480	11.8
133.10138	45.6
135.08066	14.3
135.11679	24.9
137.05954	3.6
137.09584	5.8
139.07547	3.1
139.11128	2.7
141.06978	5.6
142.07780	6.6
143.08562	30.4
145.06476	12.0
145.10127	46.6
147.08043	10.6
147.11691	30.5
149.09593	7.8
149.13252	14.2
151.07603	4.5
151.11176	3.4
155.08549	14.5
157.06474	6.7
157.10141	24.3
159.08018	7.1
159.11685	42.6
161.09624	7.5
161.13252	20.0
163.11143	3.5
163.14847	6.7
167.08549	4.0
169.10172	10.7
171.08037	5.6
171.11699	24.4
173.09729	4.6
173.13266	29.6
175.11171	7.7
175.14928	6.2
177.12759	7.2
181.10094	4.5
183.08105	3.3
183.11658	10.2
183.82211	3.0
185.09622	8.0
185.13197	17.7
185.92020	2.8
187.11180	5.4
187.14848	6.7
195.11745	7.0
197.09569	3.1
197.11613	3.1
197.13304	10.5
199.14821	9.0
201.12785	8.2
201.16376	5.0
203.14374	4.7
209.13322	7.9
211.11157	4.8
211.14832	4.2
213.12746	5.3
213.16264	5.3
215.14348	5.0
223.14867	3.7
227.14218	4.3
241.19460	6.8
257.19189	3.6
259.20584	10.2
261.18344	3.4
271.20688	5.0
273.22174	7.0
275.20074	4.1
277.21686	7.7
283.20663	3.9
285.22006	5.6
287.20203	3.5
289.21585	11.0
291.23273	9.3
297.22006	3.4
301.21594	14.4
303.23203	7.9
313.21603	5.6
315.23242	18.5
319.22647	11.7
323.23801	4.8
327.23215	6.0
331.22696	5.4
341.24838	5.2
345.24301	11.1
351.22992	17.3
359.25797	4.6
369.24243	51.3
387.25299	45.3
405.26355	100.0
405.31552	5.6
406.26743	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	405.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05509	11.1
57.03434	5.6
57.07079	3.5
67.05503	5.5
69.07062	11.5
70.66300	2.2
71.08620	1.5
79.05499	4.4
81.07044	6.2
83.08615	11.0
85.10175	1.1
91.05478	0.8
93.07041	5.3
95.08608	4.6
97.06507	1.9
97.10171	6.3
105.07054	1.1
107.04875	0.8
107.08582	3.1
109.10157	1.6
111.08090	1.2
111.11724	1.7
113.00012	99.1
119.08588	1.3
121.10132	4.4
123.11684	1.6
131.01070	1.4
135.11658	3.6
145.10144	1.1
149.13258	1.6
169.02606	100.0
170.02968	1.0
183.30592	0.8
188.66922	0.7
219.18013	0.8
219.21045	1.6
232.42776	0.7
237.22096	7.3
264.27878	0.7
302.88980	0.7
320.88953	0.7
405.26468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03934	8.3
55.01866	12.6
55.05515	43.0
56.27238	4.1
57.03429	6.6
65.03933	8.2
67.05176	6.1
67.05506	88.4
69.03431	30.8
69.07069	31.9
71.01402	4.4
71.04984	13.8
71.12981	11.2
79.05496	80.6
81.03416	36.8
81.07056	91.0
83.04967	21.8
83.08614	9.0
84.45665	4.6
85.02927	11.4
91.05482	87.9
93.07034	90.9
94.07343	4.9
95.04962	24.9
95.08612	64.8
97.02892	11.6
97.06519	13.4
97.10144	6.3
99.04461	11.6
105.06380	7.8
105.07033	87.8
107.04948	15.4
107.08598	51.6
109.02876	9.8
109.06509	16.8
109.10162	37.6
111.04427	15.2
111.08070	5.7
115.05442	6.1
117.07024	39.5
119.08576	62.4
119.93484	4.4
121.06505	8.8
121.10149	39.0
123.04446	12.3
123.08048	11.5
123.11714	12.7
125.09600	5.5
127.03955	5.7
128.06232	8.7
129.05493	6.7
129.07014	26.4
131.08571	46.2
133.06519	7.8
133.10126	43.7
135.08028	14.7
135.11693	18.9
137.05923	6.3
137.09630	6.1
141.06966	9.9
142.07748	6.6
143.08546	27.8
145.06436	10.4
145.10120	54.3
147.08005	14.4
147.11713	26.9
149.05957	5.8
149.09608	13.1
149.13261	11.0
151.07574	4.8
151.11215	5.9
153.07045	5.5
153.48236	5.5
155.08551	11.3
157.10168	24.4
159.08049	9.9
159.11697	37.7
161.09618	8.5
161.13258	20.7
163.14775	5.1
165.06978	5.5
165.09024	6.1
169.10129	15.3
171.08022	5.2
171.11647	17.1
173.09569	10.7
173.13258	25.7
175.07571	4.6
175.11206	9.0
175.14899	6.5
177.09186	7.0
181.10178	7.0
183.11687	13.9
185.09549	7.2
185.13275	15.3
187.14836	5.9
189.09134	5.4
189.12650	10.1
195.11531	7.5
195.95189	4.9
197.13231	4.9
199.14833	10.7
209.11551	6.3
209.13333	9.6
211.14766	7.8
213.12747	5.5
225.12794	5.4
259.17014	5.8
259.20465	6.5
261.22244	9.3
273.22070	5.3
275.20078	4.4
277.21561	10.3
285.22211	7.4
289.21576	10.2
291.23392	9.1
301.21664	14.3
303.22873	6.8
313.21481	9.7
315.23029	8.8
319.22760	10.0
327.22925	5.6
331.22641	7.2
341.24756	11.4
345.24130	7.2
351.23029	13.7
369.24356	41.0
387.25439	43.0
405.26315	100.0
406.26712	6.5
409.43069	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05505	1.8
56.96552	1.4
57.03420	0.7
57.07072	0.8
64.49340	0.6
67.05496	2.9
69.07064	1.8
70.40156	1.2
70.40540	1.3
71.08622	0.8
79.05494	2.5
79.34708	0.6
81.03397	0.7
81.07074	3.2
83.08618	1.0
91.05468	1.8
93.07030	2.6
95.08584	2.3
97.06482	0.8
97.10167	0.7
97.21315	0.6
99.08038	0.8
104.99235	1.6
105.07024	3.2
107.08565	3.1
109.06496	1.8
109.10159	1.6
119.08571	3.1
121.10111	1.7
123.08046	2.3
131.08559	1.6
133.10127	1.9
135.08063	2.0
135.11646	0.8
145.10161	1.6
147.11665	1.5
149.13214	0.9
161.13126	0.7
175.14722	1.0
177.12672	0.8
179.14311	2.4
181.41737	0.7
198.37769	0.8
289.21597	1.0
331.26257	1.4
349.27417	1.1
369.24023	0.7
387.21582	1.0
405.22452	100.0
405.30212	6.7
406.22531	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	405.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	27.3
56.96557	11.9
60.04512	31.8
64.75278	9.1
69.03434	18.8
69.49190	53.5
69.49615	36.3
70.06581	22.4
72.08150	91.4
74.06055	11.1
81.03419	16.1
81.07060	13.8
82.43276	11.0
83.04981	10.8
84.08141	22.7
85.02915	17.3
86.09686	54.8
87.94453	9.1
91.05481	16.5
92.08301	9.6
93.07050	24.9
95.04961	19.1
97.02895	21.3
98.20791	21.7
98.97595	21.8
102.05542	12.1
105.07021	37.9
107.08611	24.7
109.10032	13.8
116.04270	11.8
119.08562	29.3
127.03892	12.8
131.08594	17.0
132.10220	11.2
134.99684	19.1
135.08054	100.0
147.11681	52.7
149.09631	18.2
153.08913	12.4
161.13234	17.8
164.16832	10.6
173.12889	18.4
177.12712	17.1
179.03336	17.6
189.12726	27.6
201.12416	17.6
207.13774	50.5
225.14853	39.6
237.02734	16.4
244.05818	22.2
345.09335	11.3
405.17688	21.1
406.11038	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	405.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01860	2.5
55.05498	1.4
60.33904	1.3
63.51395	1.3
65.03941	8.8
67.05481	4.2
68.41646	1.4
69.03427	4.7
71.42391	2.6
72.08138	1.5
72.51792	1.2
79.05489	9.3
81.03410	7.4
81.07033	4.9
82.04177	1.8
84.08115	1.3
85.02885	5.9
86.09693	1.7
91.05479	7.1
93.03377	2.1
93.07028	2.8
95.04954	5.9
95.08555	2.6
97.02896	3.1
97.06503	1.9
98.09736	1.2
99.04449	1.4
103.05434	3.6
105.07014	4.8
107.04954	19.9
107.08560	3.7
108.02046	1.8
109.02898	2.7
109.06480	2.8
110.03664	3.1
111.04447	3.1
115.05453	5.8
116.98569	1.8
117.07018	2.8
119.04972	3.2
119.08591	2.9
121.06509	2.4
121.10101	1.6
122.03623	2.9
123.04411	2.6
124.05216	2.4
125.05978	5.1
127.03880	2.4
128.06174	2.5
129.07021	9.5
131.04890	3.5
131.08549	2.3
133.06506	2.9
134.99672	1.6
135.11671	1.2
137.02376	1.5
137.05981	38.1
138.03084	1.7
142.02589	1.9
142.27419	1.3
143.04921	4.3
144.05638	1.5
145.06467	7.4
145.10081	2.8
145.42261	1.5
147.04382	4.5
147.07996	3.1
149.05981	3.8
151.03912	20.4
151.05005	1.6
152.04617	1.4
153.05455	2.8
153.29984	1.3
157.06499	8.1
159.08066	1.8
160.05176	3.0
160.95450	1.3
161.05949	5.2
165.05489	1.7
167.07039	35.8
171.04436	5.3
171.06525	7.8
172.05180	6.3
173.05914	3.7
173.09561	1.5
175.07559	7.4
177.05475	1.7
179.07022	1.9
181.04955	100.0
182.05348	2.5
183.06516	1.5
185.13297	2.0
187.07469	6.5
189.05399	2.8
189.09099	11.7
191.06958	3.4
191.10632	2.1
195.06511	4.8
200.04567	3.5
203.07030	15.2
205.08597	4.0
206.05621	1.9
209.07968	1.7
214.54019	1.3
218.05666	5.7
219.06284	2.4
219.10114	1.7
221.08038	9.2
233.08083	54.5
234.08473	1.9
235.07481	1.5
235.09665	3.1
249.09062	2.7
251.09062	3.7
263.06805	1.6
263.09137	10.2
265.08633	2.4
277.08575	3.8
293.08084	3.1
309.11053	3.5
312.63043	3.5
324.13654	1.4
325.10669	3.0
337.10648	5.3
341.13962	2.0
351.12173	4.0
356.12744	1.5
357.13361	12.4
369.13379	8.8
387.14362	30.7
405.16666	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	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01861	10.8
55.05507	3.8
56.96556	4.5
61.54391	2.7
65.03925	8.9
67.05487	8.2
69.03418	6.2
69.40925	26.5
71.01348	3.5
75.98969	2.5
79.05502	12.6
81.03403	6.3
81.07041	5.1
81.50614	2.5
85.02898	10.9
91.05483	62.4
93.03424	3.9
93.07054	4.4
94.04189	4.9
95.04955	11.1
95.08584	4.5
97.06520	3.7
103.05476	6.2
105.03357	18.4
105.07024	7.8
106.04173	2.9
107.04955	16.9
107.08582	3.3
109.02884	3.9
109.06503	17.9
111.04434	4.3
115.05436	4.3
117.07006	3.6
117.10281	2.3
119.04942	63.2
119.08536	3.6
121.06489	7.7
121.10145	4.6
123.04408	11.0
123.08063	5.5
125.06005	6.6
129.07013	5.8
131.04921	7.7
131.08583	3.3
133.02829	13.2
133.06473	10.8
135.04361	3.3
136.05296	3.2
137.05980	41.8
140.04648	3.8
142.65041	2.6
145.06511	5.1
147.04428	23.4
149.05997	5.1
151.03908	10.8
151.07538	38.6
153.05440	7.4
154.06023	3.3
155.07027	8.3
159.08060	3.7
161.05994	14.0
165.05464	27.9
166.06319	4.1
167.07045	20.1
171.06538	7.1
171.11713	4.6
175.07503	6.4
177.05460	7.0
179.07057	21.3
180.07756	12.4
181.04950	100.0
182.05409	3.6
183.06511	3.8
184.03555	3.1
187.07562	12.2
189.09102	2.7
190.06183	3.2
191.07040	2.9
193.04970	12.3
193.08281	2.8
195.06598	4.2
197.08055	3.1
203.07056	4.7
205.08473	5.8
207.06497	12.0
208.07277	33.0
209.08025	5.4
225.07568	28.2
226.08359	23.3
233.08070	21.2
238.62717	2.9
309.11261	4.5
325.10657	2.8
337.10281	3.4
357.13303	3.3
386.28912	3.3
387.14221	8.9
406.15198	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01857	3.8
55.05509	45.1
56.96540	2.0
67.05478	1.7
69.03424	5.8
69.07069	2.0
70.06583	1.3
71.04988	2.3
71.59166	2.2
73.02913	2.0
79.05484	3.4
81.03416	4.0
81.07057	2.5
83.04966	1.2
83.08614	21.3
84.08133	1.8
84.21869	1.2
85.02882	6.0
85.06535	1.8
86.09711	1.7
91.05472	5.3
93.07022	4.1
95.04962	2.1
95.08601	2.0
97.02897	6.8
97.06506	1.6
98.97590	6.3
100.49352	1.3
105.07034	5.0
105.95761	1.2
107.04937	4.9
107.08589	2.4
108.08085	2.3
109.02862	2.9
111.04435	1.6
115.27546	1.4
116.98619	3.2
117.06984	3.2
119.01925	4.7
119.08566	3.8
121.06487	5.2
127.03938	3.5
128.98557	1.5
129.07011	2.3
131.01846	3.1
131.04996	1.5
131.08597	2.3
133.06465	1.5
134.99695	2.0
135.31531	1.2
137.05968	2.6
143.01909	3.8
143.08495	1.6
144.05667	2.8
145.03522	1.2
145.06490	2.3
145.10085	2.3
147.08052	3.0
147.11662	2.4
149.06055	1.3
151.03946	1.2
151.07521	1.9
155.01839	4.2
157.06474	1.5
157.10098	1.6
161.03011	7.9
161.05952	3.0
167.01920	2.2
167.07095	3.2
169.06531	1.9
171.04439	3.8
173.02988	7.7
173.06023	1.5
173.09642	1.5
175.11205	2.7
177.00740	1.7
179.07085	1.8
181.04944	3.1
183.09201	2.0
185.03004	7.5
187.07529	3.0
189.05493	2.9
193.08661	3.0
197.05655	2.6
197.07372	9.9
199.08672	2.8
203.03934	5.9
204.02904	1.6
210.07834	1.5
211.08620	15.5
212.09442	2.3
213.09990	1.8
215.07011	14.3
221.05106	7.4
221.06905	1.7
222.03967	1.9
224.08989	3.6
225.06557	16.6
225.10132	12.4
226.08784	1.9
227.03946	1.4
227.08188	3.0
229.09702	1.3
233.08081	1.9
235.08575	2.4
237.02875	3.5
237.09959	2.4
239.04485	2.9
239.08147	27.7
240.08852	3.1
241.09744	1.9
243.07536	3.6
245.05115	10.4
245.12862	23.2
246.05200	2.1
253.09697	19.1
255.07724	3.7
255.11211	3.6
257.05524	3.8
257.09311	7.9
261.07520	3.5
267.07660	16.3
269.09097	1.7
271.07803	1.6
271.10794	11.5
273.08716	2.3
274.13000	1.4
281.09229	20.8
283.10678	2.2
285.08646	6.7
285.11813	5.6
289.11798	5.3
293.09216	3.6
297.08627	2.7
299.06802	3.0
299.10226	33.8
299.13461	2.8
300.10373	1.4
303.12836	7.4
304.13025	2.3
309.08707	28.7
311.10382	7.5
313.07907	2.1
317.11432	3.8
327.09756	56.9
327.13715	2.9
329.11240	10.6
331.09247	4.4
337.08267	2.6
345.10663	78.4
345.13913	8.3
346.10895	2.7
346.14563	1.7
355.09183	11.7
373.10291	100.0
374.10626	4.0
387.11185	6.1
405.12418	16.3
405.21024	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
56.96548	6.1
60.04508	4.2
69.03416	7.4
70.06586	8.3
70.46758	11.1
72.08141	12.0
80.42051	3.6
84.04514	5.1
84.08139	8.2
85.02887	13.8
86.09679	9.0
95.04989	3.6
97.02922	4.8
109.02860	3.8
127.03979	5.5
145.04881	3.2
153.06934	5.2
165.05527	7.7
167.07042	10.8
169.28854	3.4
169.33939	3.1
175.03899	35.4
177.05559	3.4
181.06459	12.9
182.07288	4.8
196.05257	5.5
197.05798	4.1
199.03006	3.6
209.05949	6.2
210.06795	4.8
211.07594	3.9
219.99355	3.4
226.06236	5.9
227.06976	4.2
237.05479	7.2
238.06149	7.9
239.06970	3.8
241.08594	4.2
255.06467	12.0
267.06445	5.7
270.08661	7.0
281.08032	6.4
298.08328	7.7
315.08701	4.0
329.10135	32.6
336.35272	4.3
341.10168	22.5
345.09711	12.2
347.11411	5.7
359.11227	100.0
405.17310	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	405.0968
Annotation	Genistein 4'-(6''-methyl)salicylate
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	0.6
56.96568	0.7
67.01852	1.0
67.05497	0.7
68.99780	1.4
69.07061	0.8
71.21817	0.8
79.05508	0.5
81.07052	1.1
83.08574	0.5
90.56407	0.5
91.05476	4.5
91.33749	0.5
92.67300	0.4
93.07034	0.8
95.04969	0.8
95.08613	1.1
97.06515	0.5
103.05441	0.7
105.03391	1.4
105.07020	0.8
107.08590	0.6
109.10130	0.9
111.00762	0.5
115.05450	0.5
119.04922	0.7
119.08595	1.4
121.10137	0.8
123.11703	0.5
127.00887	0.4
131.08569	0.6
133.10133	1.0
137.05952	0.7
142.07697	0.5
143.08502	0.7
145.10118	1.3
147.04414	1.7
147.11610	0.9
153.01820	22.9
154.02168	0.5
157.10144	0.9
159.11710	1.6
165.05766	0.5
165.07042	1.7
165.95985	0.4
173.13266	1.1
175.03903	0.8
178.07784	1.0
179.07149	0.6
179.08551	1.8
181.04956	1.0
183.11681	1.2
185.13234	1.5
187.14780	0.7
189.07018	1.1
195.08208	0.6
199.14807	1.0
205.06473	1.6
207.08037	2.4
210.06851	0.7
215.08653	0.6
222.12154	0.4
223.07538	1.5
225.05284	0.6
229.04919	0.8
233.05960	1.2
234.06793	0.8
235.07471	3.2
237.05273	0.6
239.08578	2.0
251.06998	0.8
253.04921	2.8
253.08749	0.7
255.08167	0.4
257.04120	0.6
258.05231	7.3
261.05463	3.4
267.07959	0.6
269.04770	0.5
271.07446	1.5
279.06400	1.2
281.04428	4.3
282.05328	1.5
285.08963	1.0
286.04703	10.2
295.07639	3.1
297.03949	1.2
298.04608	0.6
299.05322	2.1
300.07767	1.1
301.08575	0.8
309.03775	2.1
310.04529	0.8
313.03418	0.6
313.08527	3.0
323.07178	2.1
324.07715	1.1
327.05627	1.0
340.07300	5.2
341.08069	7.6
342.08435	0.5
351.06577	1.1
359.09256	2.0
368.06866	4.5
369.07559	25.4
370.08005	1.8
383.06152	0.9
387.08618	33.5
388.08932	3.0
405.09671	100.0
405.31305	3.8
406.10043	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	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	38.9
56.96554	14.1
57.03442	14.5
67.05500	68.5
69.03435	11.0
69.07043	37.4
70.37155	10.6
70.37494	47.4
71.08630	26.9
76.41561	10.8
77.47646	12.3
79.05497	52.0
81.07059	100.0
83.08624	30.1
87.61176	10.4
91.05476	38.4
93.07040	75.3
95.08586	48.2
97.06519	15.6
97.10145	23.3
99.08102	21.7
104.99289	11.8
105.07027	34.6
107.08564	43.5
109.10165	13.9
119.08571	23.0
121.10123	17.3
125.09635	19.5
131.08566	16.0
149.13277	26.7
159.11694	15.6
161.13109	21.2
173.11781	18.6
177.12794	13.8
189.11250	17.0
195.13879	13.5
212.09946	11.9
221.11485	12.0
227.12791	25.3
259.20413	12.6
269.17471	73.2
277.21631	18.3
286.20093	25.2
351.25232	34.9
405.09772	18.2
411.55743	12.3
420.22989	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01864	5.1
55.05510	6.8
55.76350	1.4
56.05015	2.1
56.96560	2.3
57.03430	6.2
58.06586	1.6
61.02922	5.2
64.51746	1.7
65.03932	2.5
66.96735	1.4
67.05504	8.7
69.03429	26.2
69.07066	4.9
69.41267	14.3
70.06584	4.6
71.04994	17.0
72.08154	4.5
73.02925	4.6
79.05485	9.2
81.03415	15.4
81.07048	9.9
83.04955	3.9
83.08604	1.7
84.08131	2.1
85.02903	74.7
85.06525	5.3
86.09714	4.1
87.00824	13.4
87.04485	1.6
91.03957	2.2
91.05461	10.0
93.07028	16.0
95.04987	9.4
95.08620	12.7
97.02885	24.1
97.06529	9.8
98.97572	1.8
99.04454	13.6
103.03997	1.9
103.05480	2.3
105.01862	23.1
105.07031	19.1
107.04965	2.8
107.08602	14.0
108.08150	1.8
109.02863	12.3
109.06517	27.0
109.10144	27.5
111.08079	7.9
113.05960	1.5
115.05587	1.6
117.07023	6.7
119.04893	2.5
119.08577	29.2
121.06529	14.7
121.10137	100.0
122.10535	2.5
122.90054	1.6
123.04414	3.3
123.08059	40.7
123.11701	4.7
124.08411	1.8
125.06038	2.1
126.05499	1.8
127.03909	35.4
129.01828	2.5
129.06972	1.6
131.08569	8.9
133.06451	2.2
133.10136	8.2
134.99657	2.6
135.08020	3.4
135.11711	12.6
136.07561	4.1
137.05969	6.9
137.09618	12.7
137.13278	2.6
139.07536	1.5
145.04956	15.6
145.06519	3.7
145.10115	10.6
146.10783	1.7
147.08032	2.5
147.11685	30.3
148.12024	1.7
149.09618	23.1
151.07570	16.6
151.11186	2.2
152.07080	9.2
155.10643	2.4
156.09299	3.7
159.02866	5.7
161.06001	1.7
161.13249	72.9
162.13557	2.7
163.07524	7.2
163.11180	9.0
164.07056	3.4
165.12697	9.1
167.07053	3.2
167.10725	2.6
169.08583	2.1
171.11649	9.1
174.10344	1.8
177.05478	1.8
179.14330	20.4
180.08531	2.5
181.04967	9.9
181.06435	2.3
181.12213	3.1
182.08157	12.5
187.07610	5.6
189.03954	5.7
189.12749	45.0
195.06456	3.2
205.08618	3.4
206.08113	2.6
207.13799	48.7
208.14137	2.7
213.10815	1.8
225.07700	6.5
225.14848	9.2
229.08586	11.6
231.04976	6.2
237.02985	1.8
239.08145	2.6
243.05292	2.7
244.10037	1.8
247.09749	3.3
248.09189	18.7
254.08122	8.6
299.10297	2.1
309.08658	3.0
313.08142	4.5
331.09314	6.3
345.10721	2.2
352.10254	2.8
355.09183	3.4
369.11023	1.8
373.10321	2.6
387.11856	1.9
404.20367	1.7
405.12524	1.8
421.21521	1.6
423.89322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21950	1.1
53.03940	1.3
55.05519	1.9
57.63548	1.3
61.02925	2.7
67.05497	3.2
69.03421	12.2
69.07066	1.6
69.85072	4.3
69.85481	3.4
71.05000	2.2
73.63275	1.2
79.05477	1.9
81.03434	3.9
81.07066	2.4
83.05009	1.8
84.08128	1.6
85.02908	15.0
86.09694	4.7
91.05474	9.7
92.83268	1.4
93.07040	4.5
95.04955	3.5
95.08586	4.6
97.02895	5.5
98.97581	2.1
99.04480	2.0
102.13361	1.5
105.07028	5.3
107.04963	2.0
107.08568	2.4
109.06522	18.1
109.10172	1.6
109.29861	1.4
109.64716	1.4
111.08086	1.3
116.98605	2.2
119.08573	12.6
120.08045	2.0
121.06504	5.4
121.10162	4.0
121.49039	1.3
123.08059	5.9
127.03916	4.1
129.07004	3.7
130.04967	1.7
131.08569	21.7
133.06477	4.4
133.10107	1.3
134.32056	1.3
137.06017	1.8
143.08577	1.8
145.04968	2.4
145.10127	4.2
147.08040	17.8
147.11679	1.6
149.09605	3.6
151.07536	100.0
152.07933	2.2
156.09351	1.6
159.08070	2.0
159.11702	2.6
160.36731	1.8
161.09555	1.6
163.11201	6.4
165.12715	2.1
171.11656	7.4
177.12718	1.4
181.05006	2.7
189.12727	34.5
205.08661	2.3
207.13799	73.0
208.14166	3.3
231.13693	1.8
253.09734	3.4
281.09317	6.0
309.08493	6.9
327.09842	3.1
345.10779	4.3
355.09427	5.1
369.19092	14.0
404.09598	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63842	4.2
52.24873	4.2
59.86850	4.2
63.46552	4.6
67.05483	6.0
69.03416	8.6
69.07073	4.5
70.06585	7.2
71.58419	6.8
72.08151	10.0
78.33812	4.6
79.05499	9.9
81.03391	6.2
81.07069	30.2
83.05024	4.4
84.04502	10.4
84.08160	6.4
85.02905	99.4
85.03421	5.3
86.09702	13.3
88.02218	8.6
91.05465	7.3
93.07031	7.7
95.04971	5.5
95.08594	10.3
97.06552	5.9
98.97603	5.4
99.05563	8.7
101.76695	4.3
102.58404	4.3
103.03946	5.0
105.07019	13.6
107.08607	10.2
109.02919	7.1
109.10146	14.7
112.07584	4.7
119.08617	6.1
121.10152	9.0
123.11712	100.0
125.05994	7.8
132.04802	7.3
138.09117	5.9
142.08688	12.1
145.04906	6.6
145.10120	6.6
147.11681	15.2
149.09633	9.2
151.07568	5.9
157.08524	4.9
167.07063	5.9
189.12793	17.4
194.30217	4.7
207.06548	14.2
207.13780	62.2
225.14871	19.4
231.08014	6.0
239.08238	5.2
253.09714	7.5
257.09631	22.2
275.10760	5.4
281.09210	7.5
327.09735	8.2
387.11865	17.3
405.12408	7.0
405.16928	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.0
55.01870	6.3
55.05491	8.1
57.03443	5.5
61.02905	2.8
67.05480	3.7
69.03435	16.8
69.07041	2.5
69.84656	15.6
70.06577	2.9
71.04977	3.9
73.02869	3.4
75.84928	2.3
77.43126	2.8
79.05475	7.9
81.03417	16.2
81.07040	8.5
83.04987	3.3
84.04474	3.4
84.08106	3.4
85.02423	3.8
85.02908	52.8
85.06519	2.6
86.09696	7.7
86.95425	2.3
87.00802	12.5
91.05472	12.2
93.07020	5.9
95.04947	9.1
95.08599	6.8
95.41885	2.4
97.02888	13.0
98.97589	3.0
99.04466	9.1
105.01844	12.1
105.07019	20.6
107.08604	17.3
109.02877	8.8
109.06513	6.5
109.10159	2.8
115.05480	2.4
116.07056	3.3
117.06985	4.9
119.08593	23.1
120.08100	2.6
121.10118	14.0
123.08060	10.1
123.11707	9.1
124.03938	7.9
125.09624	4.2
127.03895	16.8
128.06174	3.3
129.06987	5.3
131.08556	15.5
133.06470	3.0
133.10147	6.1
134.99680	2.7
135.08061	28.1
135.11662	5.3
137.02338	8.3
137.09605	3.4
143.08551	9.2
145.04967	9.1
145.06491	4.4
145.10091	11.2
147.08051	17.6
147.11707	21.6
149.05960	5.3
149.09668	12.1
149.13220	3.0
156.09343	16.3
159.02966	6.3
159.08141	2.6
159.11723	3.5
161.06020	3.8
161.09619	4.0
161.13335	4.2
163.07567	4.3
165.08997	3.1
165.12729	3.9
167.07045	6.3
167.10753	3.3
171.11691	40.4
187.07449	3.3
189.04001	4.4
189.12740	29.5
203.21210	2.8
205.08673	5.6
207.13814	100.0
208.14201	4.2
224.16423	2.8
225.06567	3.1
225.10136	2.9
229.08650	6.2
231.05052	4.8
239.08090	5.7
247.09644	5.0
253.09578	2.7
267.07568	2.9
268.08105	6.1
281.09219	10.6
293.35953	3.1
305.19177	2.6
309.08707	10.7
313.08261	9.2
327.09662	11.9
331.09161	15.5
355.09238	6.9
373.10294	4.9
387.11639	12.2
404.15970	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	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44090	0.5
56.96562	15.3
57.32663	0.5
69.27629	5.3
71.95234	1.4
75.66748	0.4
81.07008	0.5
84.08558	0.4
91.05442	0.7
94.04156	1.8
98.97576	47.5
106.27138	0.5
107.45676	0.5
116.98615	58.8
119.00865	0.4
122.03634	3.7
133.00412	0.6
134.99651	47.9
137.05971	44.5
137.06744	0.6
138.06265	1.0
140.00189	3.7
153.00691	10.3
158.01247	4.4
160.85248	0.5
175.92198	0.5
176.02283	1.0
179.00099	1.1
197.01208	2.6
198.01988	1.2
208.10190	0.6
211.02844	1.3
215.02316	0.5
220.00412	2.1
224.09560	1.3
226.11134	16.4
227.11629	0.5
235.02763	43.3
236.03172	0.6
238.01517	2.2
242.10603	1.3
244.12201	10.7
253.03825	100.0
254.04166	1.8
266.07285	0.5
267.13779	0.8
268.12201	3.1
271.04901	8.0
276.05453	13.2
280.12161	1.3
286.13141	1.1
294.06540	0.5
298.13348	0.7
329.13037	1.4
344.15289	8.3
362.16388	2.4
404.17422	67.3
405.17758	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.9
56.05029	1.5
57.03450	1.5
57.98811	1.3
58.99583	20.9
67.05486	2.7
69.07088	5.6
70.83974	2.0
72.80889	1.0
76.02228	100.0
76.03996	3.2
79.05499	9.0
80.04995	1.1
83.06111	1.7
84.01688	0.8
84.04507	35.2
86.06086	1.2
86.99061	4.6
88.02224	2.2
97.06532	93.5
100.78626	0.8
102.05532	1.0
102.17884	1.0
114.03755	0.9
116.01675	23.3
129.03708	2.6
130.05003	22.9
130.05937	1.5
133.60446	0.9
141.04800	1.1
142.03232	11.9
144.01138	11.9
162.02205	45.6
170.02734	3.0
172.07932	1.6
179.04852	66.5
183.96947	0.9
187.05412	2.2
199.05325	1.1
202.52838	0.9
215.04837	2.9
216.27440	1.1
233.05896	22.1
245.05920	3.9
275.10422	1.2
290.07941	1.0
291.06433	3.9
308.09094	19.4
308.12415	1.7
404.15024	1.2
405.89011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2845
Annotation	Sesterstatin 1
Peak:m/z	Relative Intensity
50.36092	1.0
53.42056	1.0
55.05497	3.5
57.07053	1.5
60.94859	0.9
61.36555	0.9
67.05504	5.9
69.07072	5.9
71.35561	1.9
71.73220	0.9
77.90001	1.0
79.39582	1.2
81.07056	7.0
83.08615	4.1
87.12746	1.0
91.05487	9.9
95.08614	5.3
97.10162	2.7
109.10159	3.5
115.53832	1.1
119.04933	21.9
123.11639	1.2
131.75986	1.0
147.04410	100.0
148.04758	2.2
158.38945	1.0
165.05482	26.4
274.42892	1.1
387.87820	1.2
403.33978	1.9
403.39279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96477	10.4
56.96796	2.0
60.04451	0.7
62.44576	0.7
64.61211	0.7
71.59167	1.4
71.95206	1.6
97.02782	3.0
97.03388	1.1
98.97583	15.2
113.03381	1.3
115.00429	0.7
116.98616	27.1
118.03448	0.7
119.01935	6.6
134.99655	40.9
135.99873	1.1
137.02934	4.0
153.00722	11.7
158.01279	1.3
160.04532	1.2
176.02200	0.9
177.00967	6.9
178.00967	1.7
179.00584	1.2
192.98877	0.9
219.01970	4.6
220.02037	1.3
221.01689	1.5
230.93271	1.6
234.99887	4.1
236.00092	1.1
240.98909	1.0
243.01883	0.8
253.00989	2.1
256.96649	8.7
257.96793	1.3
258.97021	0.9
258.99966	15.7
259.99860	1.7
261.00238	1.5
261.03061	14.5
262.00006	0.8
262.03159	3.4
263.02917	4.5
264.03070	0.8
264.99042	2.0
272.94464	4.5
274.94095	2.8
274.97629	3.7
276.97815	1.8
277.00989	21.6
278.01038	4.8
278.96970	1.5
279.00827	2.8
279.97061	0.8
280.00983	1.4
282.99976	39.1
283.99985	4.4
284.99713	0.8
285.99716	1.2
290.95486	3.9
292.95123	1.9
296.97769	1.5
301.01038	94.4
302.01129	10.8
303.00989	2.7
304.00867	1.1
314.95605	1.7
316.98947	1.3
317.95377	0.8
318.98608	2.9
319.02124	7.9
320.02408	1.1
324.02609	2.3
336.92569	1.5
342.89926	1.2
344.94537	3.7
350.89792	0.8
354.93692	1.0
356.96695	2.8
357.96808	1.1
358.42978	1.1
359.96771	1.3
362.95947	1.4
369.92194	0.8
370.91354	1.8
375.91745	1.6
376.90485	2.9
377.91833	2.2
378.41681	1.4
378.93842	6.0
379.43588	1.4
380.96753	20.7
381.96939	2.2
385.42929	0.8
386.92630	12.9
387.42499	15.5
387.92325	18.8
388.41818	4.1
389.43359	1.4
389.93997	1.1
390.43250	1.3
393.92865	1.0
394.91516	3.4
395.93393	1.0
396.43732	0.9
396.93912	1.2
397.43344	0.9
397.94995	1.4
397.99622	0.9
398.44394	1.1
398.97894	100.0
399.40527	1.1
399.98022	12.8
400.98129	0.9
401.95166	1.5
403.98123	1.1
409.94815	1.3
410.44962	1.5
412.92953	1.8
416.95453	7.4
421.99826	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	403.1
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06107	3.4
69.03412	4.6
70.06554	3.4
70.63803	3.2
71.59995	6.5
72.08138	8.8
76.02209	4.7
84.04508	4.2
85.02891	6.4
86.09680	5.5
97.06529	8.4
98.97588	6.9
119.01954	8.7
120.96648	4.7
127.03949	4.2
150.97563	4.0
161.02921	5.7
173.02991	10.4
179.04826	5.4
185.02948	9.3
187.02696	3.8
219.01651	4.7
237.02750	7.3
245.05016	28.5
247.05020	12.2
263.06024	4.1
287.53326	3.5
317.08981	8.5
347.14401	3.5
359.10992	7.3
403.09961	100.0
403.15018	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42364	3.7
53.03942	10.4
55.01867	9.9
56.90043	3.5
56.96562	6.3
57.03437	9.5
61.02930	8.8
65.01974	3.9
69.03432	37.1
69.37396	15.8
69.37833	19.6
70.06575	10.6
71.04966	11.3
72.08147	6.2
73.02911	9.3
79.05482	5.1
81.03420	33.7
81.07053	5.0
85.01579	3.6
85.02908	100.0
86.09697	17.1
87.00829	31.1
91.05489	7.9
93.07037	6.5
95.04987	4.0
97.02900	55.0
98.21463	6.8
99.04459	15.0
101.59898	3.4
105.01863	51.2
107.04882	4.5
107.08620	7.2
108.04507	23.2
108.05121	4.8
108.96154	3.9
109.02883	39.1
109.82378	4.0
112.29790	3.6
117.01840	4.8
119.04889	9.4
126.05532	10.3
127.03915	94.1
129.01830	10.5
131.08560	3.9
137.05981	4.0
145.04964	48.9
145.10191	4.2
147.03275	4.5
147.04419	35.6
151.13228	3.9
159.02916	28.2
159.04031	4.9
159.07883	4.3
177.00708	4.4
212.05640	5.3
230.06589	8.7
231.05029	24.6
248.07697	12.7
402.16019	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	402.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.96559	2.0
59.04999	100.0
60.05313	1.1
60.40867	1.0
65.43617	0.8
67.05496	1.9
69.03415	3.2
69.07051	1.1
70.06578	2.1
71.04990	1.4
71.60173	1.6
72.08136	1.6
73.06551	2.6
79.05481	2.5
81.03411	3.9
81.07048	2.9
83.04956	0.9
84.08142	1.8
84.20829	1.0
85.02898	5.3
85.06525	1.0
86.09692	4.5
87.00838	1.3
87.04456	3.4
89.06026	74.8
91.05473	2.8
93.07034	2.1
95.04967	1.6
95.08618	2.8
97.02901	1.9
98.97529	1.3
99.04443	2.2
103.07578	89.6
105.01855	1.0
105.07024	4.8
107.04955	3.1
107.07049	4.5
107.08592	2.7
109.02883	1.5
109.10113	4.6
110.93471	1.0
116.98598	1.9
117.07043	1.5
117.09135	1.9
119.08567	2.4
121.06461	1.3
121.10098	1.5
127.03918	2.9
129.06978	1.4
130.06517	4.0
131.04855	1.1
131.07047	1.8
131.08585	1.6
133.06444	2.0
133.08598	42.2
133.10117	2.0
134.99648	0.9
135.08017	1.1
137.05951	1.7
137.09598	1.9
143.08582	1.3
145.04991	1.3
146.99762	0.9
147.10150	36.6
151.03995	1.0
154.08621	3.0
155.10686	7.7
157.10046	1.0
159.07985	1.3
159.09190	1.8
159.11664	1.1
161.05968	1.8
167.06972	4.2
173.13272	2.4
177.11215	15.1
181.04964	8.1
185.13274	1.3
191.07024	1.2
191.12744	2.7
193.08554	2.2
201.12672	1.3
203.07022	1.6
219.13777	1.2
221.08087	2.6
221.13791	2.5
245.09210	1.7
249.07764	1.3
252.14806	0.9
253.16566	1.0
270.08368	0.9
297.19025	1.3
299.16483	1.0
307.32047	0.9
331.11197	1.1
341.21921	2.1
371.14865	2.0
384.15283	1.5
385.24268	14.6
402.18073	1.5
402.27322	1.0
403.14603	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	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.8
55.05505	18.5
55.78248	4.1
57.06816	7.0
57.07076	87.0
67.05505	38.3
69.03430	62.6
69.07063	23.8
69.42213	35.8
71.08630	59.7
81.03415	38.6
81.07059	45.4
83.08604	28.7
83.09038	4.9
85.02898	18.1
85.10176	26.2
93.07054	7.8
95.08605	66.4
97.02898	100.0
97.10170	14.6
99.04459	10.8
105.06980	5.1
107.08586	4.9
109.02885	23.9
109.10142	39.6
121.10163	4.6
123.11693	18.0
125.13250	5.7
127.03907	65.5
143.45926	5.4
145.10127	6.5
161.98555	4.3
239.23723	18.8
257.24722	6.3
333.65900	5.0
383.27704	16.9
401.26495	51.6
401.34158	8.0
401.91855	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	402.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58593	5.0
55.05511	6.6
56.96569	100.0
57.50309	6.7
67.05509	13.2
69.07079	13.6
71.59953	7.2
71.95271	5.6
78.92057	5.2
79.05503	14.1
81.07053	22.2
83.08582	6.4
84.96024	8.3
85.02908	7.3
91.05513	14.1
95.08640	15.8
97.06515	6.7
98.06030	6.0
98.97601	10.3
103.42186	5.7
105.07033	14.5
107.08602	9.6
109.06550	6.5
109.10148	16.1
111.04458	5.8
116.10737	8.6
119.08581	16.0
121.10168	9.0
129.06981	11.5
131.08528	8.3
134.99619	16.0
143.08601	12.6
147.04448	14.2
155.03755	7.6
169.10222	6.9
171.11693	10.9
173.01228	19.9
173.36292	6.1
191.02306	13.5
199.11235	6.6
217.12172	6.6
227.07692	7.5
234.42665	7.1
245.08665	8.8
247.10114	10.1
259.06516	6.2
259.80508	6.1
263.09219	5.7
275.09543	19.6
277.07523	9.7
293.10583	59.0
311.11737	49.2
316.12061	8.2
319.08374	30.7
337.09576	49.8
384.11475	9.5
402.12271	7.1
402.26569	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	401.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.7
55.01871	8.2
55.05506	36.3
57.07067	29.7
67.05495	31.4
69.03426	21.3
69.07063	30.8
69.40251	67.1
71.04976	9.5
71.08605	21.8
73.95364	6.8
79.05491	23.6
81.03414	22.7
81.07049	52.2
83.04977	34.4
83.08611	24.2
83.92426	6.8
85.02890	14.6
85.10188	14.5
85.69575	6.7
86.62927	8.0
91.05486	38.4
93.07035	56.8
94.48495	7.8
95.04974	7.7
95.08610	67.1
97.02879	24.5
97.10154	7.8
98.21527	15.4
99.04456	10.7
105.07040	100.0
107.04939	8.2
107.08621	40.9
109.02884	15.4
109.06525	54.5
109.10159	40.8
111.08079	26.5
115.05432	9.4
116.93245	6.8
117.07003	27.4
119.04968	10.5
119.08572	81.1
121.10155	19.1
123.08104	8.7
123.11694	6.8
127.03871	18.6
129.07028	15.5
130.07788	9.6
131.08604	48.8
133.10123	73.4
135.08037	17.2
135.11674	28.3
137.13205	8.6
142.07780	18.5
143.08524	34.6
145.10112	75.2
147.04408	32.7
147.11691	18.4
155.08537	12.0
156.09340	16.9
157.10138	54.8
158.10942	12.9
159.11705	33.1
161.13367	9.1
169.10138	21.6
170.10938	8.0
171.11691	30.1
173.13249	39.6
175.14799	11.7
179.08556	16.2
181.10228	11.2
183.11769	11.1
185.13278	16.0
187.14825	40.1
195.11766	11.8
197.13271	20.9
199.14819	19.0
201.12697	9.6
207.11742	14.5
209.13240	14.5
211.14700	7.8
218.82526	7.2
219.11699	8.7
221.13252	12.1
222.13855	11.2
223.14732	13.4
235.14798	8.9
237.16278	7.6
251.17911	7.7
265.19702	7.9
286.74359	8.5
301.21555	9.4
317.21985	7.3
369.46167	7.4
401.27023	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.8
55.05491	13.2
56.56609	4.5
56.96569	8.4
57.07071	78.2
62.97200	4.6
67.05500	26.7
69.03427	60.1
69.07049	14.9
71.08633	50.0
77.93929	3.8
81.03408	35.1
81.07056	39.3
83.08605	20.3
85.02895	16.0
85.10181	32.4
95.08601	64.7
97.02886	100.0
97.06491	5.3
97.10180	13.8
99.04457	7.9
105.07019	6.4
106.42650	5.0
109.02872	24.0
109.10160	27.3
112.91174	5.6
116.51957	4.7
123.11710	9.0
127.03912	59.6
130.71773	4.4
131.08727	4.5
132.98892	4.3
137.13220	7.2
145.04892	5.0
155.70155	4.4
239.23676	20.2
257.24722	8.5
312.23001	6.0
383.28079	9.5
401.26434	53.6
406.30368	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	401.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01869	7.1
55.05507	6.6
56.91320	1.6
56.96564	2.4
57.03439	8.1
57.07076	3.2
57.29259	1.7
59.04974	1.7
61.02923	12.9
67.05500	11.4
69.03428	33.8
69.07066	8.6
69.35661	1.6
69.95226	6.1
69.95638	3.4
70.06592	47.5
71.01350	1.7
71.04987	6.1
72.08151	5.3
73.02911	6.8
79.05483	10.7
81.03416	15.7
81.07050	15.9
83.04981	3.4
84.04501	3.1
84.08143	5.2
85.02903	89.0
85.06548	16.6
86.03280	1.6
86.09704	27.1
87.04471	4.8
88.02215	4.4
88.03984	9.7
88.27932	1.7
90.03799	1.6
91.03950	3.6
91.05470	11.0
93.07038	21.8
95.04955	9.0
95.08605	13.8
96.08110	2.4
97.02890	31.0
97.06536	2.9
98.97629	1.7
99.04445	5.3
99.05568	4.3
99.08139	1.6
101.02388	2.2
102.05577	1.8
103.02159	2.2
105.07027	21.8
107.04958	2.6
107.08585	18.4
108.81738	1.8
109.02866	11.6
109.06535	16.6
109.10156	6.8
110.07143	2.5
111.08057	2.4
113.05949	7.5
116.07078	36.4
116.98658	2.4
117.07011	3.8
119.08566	21.1
121.06494	7.8
121.10128	13.5
123.04472	1.8
123.08084	7.2
127.03911	19.5
127.08637	9.5
128.06218	3.0
129.10254	3.2
130.07814	1.7
130.45125	1.8
131.08571	6.0
132.04761	2.6
133.10127	14.7
135.04451	1.9
135.08058	15.2
135.11630	8.1
137.05936	2.3
137.09644	2.1
141.10219	2.6
142.08655	3.7
143.08549	5.5
143.11801	2.8
145.04961	17.2
145.06087	2.6
145.10115	7.2
147.04414	2.1
147.08061	3.1
147.11676	5.9
149.09641	3.2
149.13283	5.7
151.11172	3.4
153.05278	2.1
155.08191	6.3
156.10205	3.7
157.10091	4.9
159.05882	7.1
159.07928	1.8
159.11719	4.2
161.09641	3.8
161.13242	9.0
163.03922	7.1
163.11200	5.9
165.09131	1.7
165.12808	1.9
167.10706	7.5
173.09218	36.0
173.13261	3.9
175.14825	2.5
177.12836	2.5
179.14342	1.9
181.04884	3.0
181.12238	2.6
184.09717	2.5
185.13177	1.9
187.11046	1.9
191.14313	7.3
201.12299	13.4
203.14374	4.9
209.15378	12.9
217.12103	1.9
221.15384	9.1
229.11800	3.2
231.09802	3.3
239.16406	100.0
240.16890	3.1
249.14857	2.1
251.16481	1.7
286.13998	2.6
303.13739	27.8
304.13797	1.9
366.45566	1.7
384.12009	1.6
401.14319	5.7
401.21259	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Valafolone
Peak:m/z	Relative Intensity
51.15205	3.7
55.01860	4.2
55.05503	5.4
56.96557	3.3
57.03412	3.4
62.17052	3.0
67.05475	7.8
69.03394	5.0
69.07072	29.8
71.60631	3.9
76.42761	3.0
79.05499	16.7
81.07040	6.4
82.98125	3.2
91.05473	7.2
93.07023	3.9
95.04973	5.3
97.06531	43.0
105.07033	5.7
119.04945	2.9
119.08599	3.8
121.06481	3.9
147.04419	8.4
162.03105	3.4
163.03908	6.3
175.03944	17.0
177.05450	4.1
179.03372	9.7
191.03450	9.1
192.04147	4.0
193.04799	3.9
201.05420	3.9
205.05020	3.6
206.02145	5.4
207.02914	14.8
208.03613	6.6
219.02937	5.8
220.03694	6.3
221.04453	31.5
229.04887	4.5
229.08594	5.6
231.02835	3.9
233.88985	3.1
235.06151	3.5
243.06444	6.3
245.04419	10.8
245.08054	5.6
247.05898	5.8
249.07433	3.2
261.07474	4.4
275.09210	7.1
276.09921	4.0
285.07669	3.7
287.09146	8.6
299.08798	4.9
304.09271	4.2
305.10147	33.7
317.10199	100.0
331.08026	9.8
331.11783	10.4
345.13232	4.0
357.13098	5.9
373.16791	4.4
383.14767	17.9
394.31918	3.3
401.15939	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08009	1.9
55.05505	3.1
56.96566	3.8
58.75591	1.8
59.30634	1.9
65.94010	2.2
69.03407	2.7
69.07062	3.2
71.04980	3.4
71.12531	5.3
71.46417	2.4
79.05456	4.6
81.07060	4.9
83.04964	2.4
85.02911	5.7
91.05474	3.9
93.07030	5.5
95.04974	2.8
95.08587	3.3
97.06527	3.6
100.11288	3.0
105.07010	4.2
107.08580	2.2
111.04451	3.4
117.07030	1.9
119.08611	3.1
121.10129	3.5
133.10184	2.6
145.02821	2.4
167.06978	2.9
177.05482	4.0
182.15445	2.8
310.27145	2.5
311.05911	2.2
313.16211	9.3
323.12616	2.2
330.11334	2.4
361.59460	2.2
383.11096	7.5
401.12445	7.2
401.21442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01868	1.8
56.96550	2.6
60.04526	1.7
60.39661	1.3
65.03938	1.4
67.05507	1.9
68.96696	1.3
69.03414	3.4
70.06577	1.9
70.86719	1.4
70.87031	3.2
71.04965	2.1
72.08143	3.9
78.59866	1.5
79.05501	14.1
80.54903	1.2
81.03410	1.6
81.07058	4.4
85.02907	3.3
86.09706	4.6
87.05586	1.9
91.05482	9.2
93.07023	2.3
95.04967	5.9
98.97607	2.0
103.05482	2.0
105.07024	4.3
107.04281	3.0
107.04960	34.6
108.58515	1.6
109.06543	2.3
115.05439	5.0
117.07014	3.8
119.04984	1.5
120.08094	8.2
121.06475	2.5
121.08464	4.3
123.04438	6.0
124.05209	7.6
125.05994	3.1
128.06258	2.5
129.07033	7.4
131.04921	2.0
131.08582	9.7
133.06537	2.1
135.04445	1.8
137.05998	2.2
141.06996	4.0
143.08591	2.3
144.05705	7.3
144.08075	2.1
145.06499	6.9
145.10207	1.8
147.04506	1.8
149.05986	2.0
151.03923	1.8
152.04652	3.4
153.05528	2.2
156.05692	14.2
157.06517	2.6
158.07236	2.5
159.08055	19.8
161.05934	3.4
163.03926	4.3
167.07047	100.0
169.06404	2.5
172.05324	1.9
173.05989	5.1
177.05470	3.1
179.07005	3.5
179.08453	1.9
181.04987	3.2
181.06429	2.1
181.08595	3.9
181.52377	1.3
182.07278	1.5
184.05197	3.3
186.06805	2.6
187.07562	11.8
187.72920	1.4
190.07780	2.1
191.07071	3.1
191.08620	2.9
193.08580	2.3
194.07370	1.8
195.06494	2.3
202.06227	8.0
202.07912	2.7
203.08597	3.4
204.07874	1.8
205.06708	2.7
205.08598	16.3
207.06479	6.1
207.08197	3.0
207.11322	5.3
208.05191	20.6
208.08798	2.5
208.11635	7.3
209.06046	1.9
209.28398	1.6
210.06815	1.9
211.07504	3.5
215.06926	2.2
217.08595	34.6
218.07263	4.3
219.08047	10.7
219.10133	6.2
220.08820	4.5
221.06003	7.1
224.04576	1.6
226.06207	2.4
229.08560	4.5
230.07216	2.1
231.08057	7.1
231.10223	2.2
232.08849	3.5
233.06099	1.6
233.09552	3.5
234.06760	4.1
235.07520	3.2
235.11134	2.4
236.04683	6.3
236.08365	4.1
236.10901	2.0
237.05460	1.8
237.08939	2.5
238.06123	1.9
239.07050	2.6
240.04172	3.2
246.06879	1.9
247.07486	15.7
247.09703	25.4
248.08345	11.4
249.05385	3.9
249.09070	4.9
250.06303	3.0
250.09961	1.7
251.10760	2.8
254.05695	10.9
255.06425	3.3
259.07535	4.5
261.05237	1.8
261.09140	4.5
262.06320	2.1
262.09637	3.7
263.07004	4.4
263.10712	10.1
264.07837	6.5
265.08585	6.5
266.05716	2.3
267.06607	4.7
268.03598	1.8
269.08072	23.3
269.10718	3.9
271.06213	2.2
271.09616	8.0
272.06729	3.7
275.07037	6.0
276.07907	10.9
277.08545	3.8
278.05771	2.0
279.06985	2.1
279.10190	11.4
282.05264	4.5
282.08902	16.4
285.07596	1.7
287.09091	2.8
287.11789	2.8
290.09464	3.9
291.07227	2.3
291.10129	11.8
292.07281	4.7
293.08072	13.2
295.12338	1.8
299.09125	4.1
300.06268	3.0
301.07013	2.1
305.08209	2.7
305.11685	2.6
307.06628	1.6
307.09521	9.1
308.10352	9.0
309.07800	2.3
309.11050	2.8
310.08353	9.6
311.12704	2.3
315.08624	67.2
316.09241	2.6
319.09634	10.5
321.07535	3.6
321.11084	3.1
322.11880	2.2
323.09293	3.1
323.12756	19.5
325.10995	2.2
328.09402	4.8
330.10986	81.3
331.11700	14.6
336.09802	5.8
337.10779	7.0
339.12177	10.8
343.11713	22.3
351.12256	31.2
352.13004	4.9
353.10342	6.8
356.12582	2.4
368.12546	10.0
369.13141	3.7
371.14911	5.2
383.14886	63.4
401.15356	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	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	2.6
71.58927	1.7
72.08139	2.4
84.08128	1.7
84.57682	0.8
85.02878	1.0
86.09700	4.8
91.05446	1.0
98.97569	1.2
105.07052	1.4
106.58187	0.9
107.04947	1.1
113.09618	2.2
116.98584	1.2
117.07037	0.9
119.01885	1.0
121.99475	0.9
131.08511	1.3
136.06125	1.0
143.08604	1.7
145.10094	1.3
153.08878	5.2
171.11674	2.6
181.10042	1.2
199.11156	1.3
211.09560	1.0
217.12279	4.0
221.05090	1.6
271.04343	2.2
284.74414	0.9
289.05170	1.2
296.59344	1.0
315.08783	1.5
315.13861	7.4
339.14136	1.8
357.15182	50.2
358.15396	1.2
401.14130	100.0
402.14438	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
65.71556	2.5
69.03394	2.6
79.05489	14.5
81.07077	5.4
86.09702	7.7
91.05469	9.7
93.07015	3.6
95.04987	4.6
97.02913	3.6
100.34635	2.4
105.07027	3.2
107.04953	43.4
107.77097	2.5
109.86131	2.7
115.05415	3.3
117.07037	3.7
124.05178	4.2
128.06241	3.5
129.06985	8.5
131.08534	10.0
139.99968	2.8
141.06960	6.1
144.05679	8.3
145.06447	7.6
147.04340	3.7
152.04640	4.2
153.05579	2.9
156.05705	12.7
157.06471	4.1
159.08005	20.3
161.05901	2.8
163.03889	6.4
166.89238	3.1
167.05634	5.6
167.07048	100.0
173.05905	6.1
181.05054	4.3
181.08533	4.3
184.05273	2.9
186.06755	3.4
187.07542	11.3
190.07787	3.4
191.08650	3.7
202.06194	4.1
203.08684	5.1
205.06876	3.8
205.08583	18.8
207.06479	6.3
208.05206	22.6
210.06813	3.4
217.08620	36.5
218.07372	7.2
219.07994	9.9
219.09961	3.8
220.08932	6.6
221.06046	4.0
225.05342	3.2
229.08641	3.1
230.14107	4.0
231.07980	9.2
233.09535	4.4
236.04837	7.0
236.08231	4.2
237.09251	3.7
239.07088	3.7
245.09589	3.7
247.07466	11.2
247.09700	23.5
248.08231	13.7
249.09218	3.2
254.05786	8.6
255.06502	5.5
256.07257	3.0
259.07709	4.2
261.08945	6.8
262.09909	4.3
263.07047	6.0
263.10648	11.9
264.07907	7.7
265.08450	5.8
267.06531	11.5
268.03705	3.7
269.07996	21.9
271.09610	8.2
272.06891	4.6
275.06927	6.3
276.07904	10.3
277.08618	6.6
279.10114	11.6
282.05875	3.5
282.08817	15.9
290.09406	3.2
291.10135	16.4
292.07220	4.3
293.08072	11.4
299.09189	5.2
300.06284	3.7
301.06702	3.3
304.07281	3.8
305.08154	4.0
307.06229	3.4
307.09705	10.6
308.10355	7.0
309.11011	3.7
310.08618	4.7
310.12375	3.1
311.12686	4.6
315.08569	73.1
319.09589	10.5
321.07611	6.3
323.12817	15.4
325.10883	3.9
328.09308	6.8
330.10965	84.7
331.11566	18.7
336.09848	5.0
337.10760	3.8
339.12216	9.0
343.11761	20.0
351.12262	29.0
352.12952	4.6
353.10138	8.7
368.12494	7.8
371.15106	5.9
383.14908	65.8
401.15915	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	401.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.1
67.05502	0.8
69.03410	0.9
70.06598	3.1
71.34554	0.6
71.34876	0.5
72.08143	1.9
78.59515	0.4
81.07048	0.7
84.08134	1.5
85.02876	1.4
86.09706	5.1
91.05487	1.1
93.07043	0.5
95.08598	2.1
97.02903	0.8
98.97604	0.9
105.07022	0.8
107.04942	1.1
110.07149	0.9
110.97617	0.5
113.09669	1.5
116.98607	0.7
117.07024	0.6
119.01945	0.8
119.08614	0.7
120.08104	1.1
123.07959	0.5
129.07004	0.6
129.10255	1.1
129.87827	0.5
134.99654	0.5
136.06078	0.5
137.06024	0.6
141.93073	0.5
145.05037	0.5
145.10193	0.7
147.08005	0.5
151.04022	0.6
151.07535	0.6
153.08858	6.4
167.07040	0.5
171.11639	1.0
185.04282	0.7
185.16479	0.9
189.12480	0.5
199.11218	0.7
213.09700	1.0
213.16064	0.6
217.12260	1.4
221.05006	1.0
224.07022	0.7
225.09627	0.6
227.05360	1.1
231.10707	0.9
255.10437	0.5
271.04291	1.8
289.05316	1.2
296.08994	4.1
296.59143	1.1
315.08652	0.7
315.14178	7.5
330.10773	0.6
331.10938	0.6
339.14090	1.6
357.15213	40.8
358.15173	1.2
372.72131	0.5
383.14673	0.7
401.14169	100.0
402.14667	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	401.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
54.11367	2.2
55.01866	12.9
55.05513	8.5
56.96566	8.7
57.03437	2.8
57.71823	2.4
58.99583	9.6
61.01155	37.5
65.03925	3.2
67.05506	12.3
69.03429	14.7
69.07063	3.2
70.06595	13.4
70.88239	6.6
71.04977	5.6
72.08152	9.2
73.01177	2.2
73.02922	4.0
79.05490	13.5
81.03426	5.6
81.07061	18.5
83.04970	3.7
84.04495	3.1
84.08128	6.8
85.02917	18.4
86.09695	12.5
86.99056	4.6
89.00615	49.3
91.05480	35.4
93.07043	11.5
95.04977	10.0
95.08606	6.0
97.02908	8.9
97.06539	4.1
98.97587	10.3
98.99073	3.0
99.04439	3.5
101.00610	5.4
103.05452	4.1
105.00110	2.6
105.07024	52.5
107.04950	18.1
107.08596	8.1
109.02873	4.2
109.06522	7.7
111.04470	3.2
111.08113	3.4
115.05433	11.1
116.06267	3.5
116.98628	8.9
117.07020	26.3
119.04935	3.3
119.08584	29.1
121.06513	7.4
121.10130	4.8
123.04430	2.6
125.06001	3.2
127.03944	6.5
128.06204	18.6
129.07019	42.6
130.07813	4.6
131.04942	5.9
131.08568	30.0
132.99551	5.6
133.06505	9.4
133.10109	8.6
134.99698	3.5
135.01111	3.4
135.04475	3.5
135.08057	4.3
137.06000	3.1
141.06984	29.7
142.07779	12.0
143.08565	38.5
144.09375	3.2
144.99561	14.9
145.04910	2.6
145.05458	2.7
145.06476	20.1
145.10118	32.2
146.07289	5.6
147.04401	3.9
147.08040	7.5
147.11681	48.1
147.12772	3.6
147.46558	2.2
149.05992	3.2
149.09528	2.2
153.05556	3.7
153.06911	6.3
153.10257	3.2
154.07762	31.4
155.08565	10.6
156.09349	7.6
157.06493	7.2
157.10152	21.5
158.99664	3.5
159.08070	10.8
159.11722	14.9
161.05968	9.2
161.09610	5.1
163.00630	4.3
163.03911	2.5
163.07504	3.8
163.11217	3.5
165.06956	3.6
167.07047	23.9
167.08585	14.3
169.06491	3.4
169.10121	100.0
171.08118	6.8
171.11703	21.5
172.08691	3.1
173.05984	3.6
173.09631	23.8
174.10410	5.7
175.07550	5.3
175.11192	30.2
177.00705	8.7
177.05495	5.8
178.06305	2.3
179.07220	2.6
179.08559	14.2
181.04953	30.3
181.10146	3.9
182.07268	7.6
185.09523	3.7
187.11172	27.1
189.09149	3.1
189.12721	2.6
191.00079	44.2
191.07063	2.8
191.10670	5.2
193.08578	2.6
193.12134	3.6
197.09627	58.4
199.11221	9.9
201.07417	3.2
201.09177	2.7
205.08575	5.6
205.12317	4.9
208.05205	4.8
209.07970	3.2
211.09590	3.3
215.10669	95.5
217.08597	6.8
217.12303	6.1
219.08308	5.8
225.09119	6.7
233.11768	9.7
237.02809	2.7
239.12585	5.8
243.10213	21.2
245.09674	2.5
247.07719	7.5
248.08389	4.5
261.11258	9.6
263.07205	2.6
263.10782	6.7
265.08823	4.3
269.08215	5.2
273.09653	3.0
275.07077	3.8
277.08688	2.9
279.10257	4.3
291.10345	19.5
293.08340	5.6
307.09644	4.7
309.11606	4.8
315.08643	10.7
315.14224	3.6
319.09946	6.4
323.12766	4.0
330.11014	16.7
331.11777	3.7
337.11053	20.5
339.12335	5.3
343.13803	24.3
351.12418	5.9
355.12140	4.1
357.15234	21.5
368.12546	6.1
371.15088	4.2
383.11365	15.1
383.15726	17.9
401.13458	58.6
401.17847	57.4
401.28613	4.2
402.13791	3.6
402.50009	2.4
403.17621	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	401.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01876	4.4
55.05513	1.7
55.64529	1.1
56.96560	2.6
57.03436	1.5
58.33164	1.3
61.02929	1.3
63.22264	1.1
67.05519	3.0
69.03430	3.7
70.06603	3.4
71.04992	1.9
71.30836	1.9
72.08157	4.7
73.02912	4.2
79.05503	10.0
81.03409	4.4
81.07058	12.1
82.42228	1.1
83.04978	1.5
84.08106	1.5
85.02905	8.2
86.09724	7.6
87.00831	1.9
91.05488	13.2
93.07043	5.5
95.04974	1.7
95.08626	2.3
97.02903	5.5
97.06499	1.6
98.97591	2.4
99.04448	2.6
103.05465	2.1
105.01881	4.2
105.07035	21.2
107.04968	6.4
107.08589	3.2
107.75706	1.3
109.02921	3.5
109.06479	2.6
111.08086	1.5
115.05456	5.3
117.07026	13.3
119.04939	3.0
119.08527	6.7
121.06488	1.2
123.08112	1.9
125.06036	1.7
127.03934	7.7
128.06223	12.9
129.07010	32.8
131.04913	1.5
131.08568	24.4
133.06467	2.7
133.10115	2.7
134.99750	1.4
135.08105	1.5
135.11711	1.2
136.07628	1.4
137.05989	3.2
141.07005	3.7
142.07777	6.7
143.08566	42.4
145.04945	2.3
145.06514	2.2
145.10115	28.8
146.99582	1.2
147.08028	2.9
147.11678	2.3
153.07077	1.4
155.08543	8.0
156.09341	12.4
157.06439	5.6
157.10115	10.1
159.02988	1.7
161.05994	7.0
165.07048	3.5
166.07758	5.7
167.07074	6.1
169.10139	2.9
171.08057	3.7
171.11691	96.7
172.12064	1.8
173.09624	1.7
173.13272	5.9
175.07544	9.1
177.09128	2.9
181.04991	4.8
181.10133	15.9
184.08875	3.7
185.09666	1.9
189.12698	3.4
199.11185	43.5
200.11482	1.4
201.12831	1.8
203.10773	1.3
205.08670	2.0
217.12242	100.0
218.12584	3.3
219.01877	1.4
221.11908	1.4
227.10654	13.4
228.11215	2.0
237.02800	2.6
245.11739	22.1
263.12827	3.6
291.10245	1.6
315.08606	3.1
330.11011	3.9
347.24487	1.2
351.12048	1.5
352.52301	1.2
357.15134	4.3
363.98056	1.1
365.10611	1.5
377.11987	1.6
379.18466	1.0
383.11038	2.7
383.14969	4.1
397.62949	1.3
401.13315	9.8
401.17902	6.6
404.11414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37996	0.6
55.01867	2.0
55.05508	2.1
56.96553	1.2
57.03423	0.6
67.05518	3.1
69.03426	3.1
69.07066	1.8
69.66476	1.4
69.66876	3.9
70.06592	5.2
71.04976	0.7
72.08164	5.3
73.02914	5.8
79.05494	6.1
81.03402	1.2
81.07059	11.7
83.08627	0.6
84.04485	0.7
84.08123	2.7
85.02898	2.4
86.09705	9.5
91.05485	12.9
93.07043	5.8
95.04977	1.6
95.08585	1.4
97.02843	0.9
97.06540	0.8
98.97610	0.8
103.05486	1.8
105.07030	17.5
107.04945	3.0
107.08567	2.8
109.06553	0.8
109.52420	0.7
115.05431	4.9
116.06294	1.0
116.98614	0.7
117.07027	13.3
119.04939	2.0
119.08587	5.4
120.08092	1.2
121.06499	1.3
121.10164	1.0
123.04391	0.7
127.03920	0.9
128.06223	8.2
129.07010	25.9
129.10248	0.9
130.07758	1.9
131.04980	0.6
131.08569	24.1
132.09363	1.2
133.06482	2.4
133.10132	3.1
135.08063	1.3
137.06013	3.2
137.09581	0.7
138.98807	0.7
141.06963	3.4
142.07796	6.9
143.04910	0.8
143.08565	37.8
144.08966	1.2
145.06476	1.5
145.10121	30.9
146.10468	0.7
147.04411	0.9
147.08046	1.2
147.11674	1.7
149.05933	1.2
149.17688	0.6
153.07021	2.3
154.07747	1.0
155.08585	7.5
156.09364	10.9
157.06468	5.6
157.10127	12.0
158.07217	0.9
158.10779	1.0
159.08040	1.8
159.11728	1.6
161.05977	8.1
161.09689	1.0
165.07039	2.1
166.07826	4.3
167.07050	1.7
168.09343	1.0
169.10118	2.4
170.07176	0.8
171.08092	4.1
171.11694	75.1
172.12100	2.1
173.09621	3.0
173.13268	10.6
175.07568	6.6
175.10983	1.0
177.00641	1.1
177.09180	3.3
179.08548	0.7
181.04874	1.3
181.10124	14.5
183.08130	0.8
183.11711	1.6
184.08815	2.6
185.09587	1.7
185.16382	1.4
187.07556	0.8
189.09123	1.4
189.12717	2.3
197.09589	0.7
199.11185	36.8
200.11665	1.0
201.12695	2.1
203.10646	1.6
209.09679	0.8
217.12245	100.0
218.12665	2.5
219.13797	0.9
226.37868	0.7
227.10669	13.2
227.17616	1.0
239.12694	1.3
245.11751	17.4
246.11891	0.7
263.12747	5.0
315.08701	0.9
315.14102	1.0
330.11053	1.4
337.10324	1.0
357.15039	3.8
383.11545	2.9
401.13870	11.7
401.23425	1.5
402.14697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1145
Annotation	S-Acetylphosphopantetheine
Peak:m/z	Relative Intensity
51.97099	1.1
54.83659	1.2
55.01855	1.3
56.96558	1.2
57.07059	2.2
61.01150	2.6
61.02934	1.3
67.05496	3.0
69.03412	2.8
70.06590	8.0
71.60335	1.6
72.04519	10.5
72.08196	1.1
73.02909	3.2
74.06069	1.3
78.03783	2.1
79.05474	1.3
81.03418	1.8
81.07043	1.7
81.42042	0.9
84.04522	1.6
84.08127	1.4
84.50067	1.1
85.02908	8.2
85.06544	5.1
86.09707	7.7
88.02208	11.9
88.03995	3.0
88.17335	0.9
91.05476	2.6
93.07023	2.6
95.04940	2.9
95.08629	1.4
97.02898	2.8
97.06503	1.3
98.02413	1.4
98.06065	1.1
98.97558	2.1
98.98463	3.0
99.05572	13.7
99.70806	1.0
103.02158	10.4
105.07040	2.6
107.04955	1.4
107.08562	1.9
109.02885	1.2
109.06535	1.6
112.07590	1.3
113.05987	5.3
114.03748	3.9
116.07093	7.4
116.70113	1.0
116.98679	1.5
119.08606	2.4
124.07595	6.2
125.07094	1.8
127.03894	1.7
130.08636	2.5
132.04793	12.1
134.99608	1.3
135.08043	1.6
141.06635	1.5
142.08646	16.8
145.10100	2.7
159.05887	28.0
161.09550	1.2
163.11186	1.2
166.08655	1.8
173.09200	6.4
174.05838	3.9
175.05362	6.4
183.04216	3.0
184.09679	7.1
185.12883	1.3
199.11090	2.3
201.06964	4.4
201.12543	2.1
217.12067	2.2
221.15395	1.9
227.10712	1.2
232.28886	1.2
239.16470	6.8
245.11856	2.7
257.06998	1.5
260.39032	1.0
261.12720	4.0
285.12680	1.6
295.75040	1.2
303.13724	100.0
304.14090	3.6
401.09790	5.4
401.14890	3.0
401.22226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	12.8
70.61089	6.6
80.33687	1.8
98.97580	61.2
109.83501	1.6
116.98615	78.7
134.99658	87.9
137.00102	2.4
140.00261	1.7
141.16154	1.9
153.00708	17.9
158.01323	2.5
167.48653	2.0
177.00948	7.5
190.95515	3.3
194.98436	1.7
210.96518	1.9
219.01961	8.5
221.01826	3.3
230.84355	1.8
232.96460	6.8
234.96437	2.2
234.99844	8.0
236.99785	7.1
240.98764	2.9
250.97545	4.5
252.97643	3.0
255.00873	2.7
256.96475	8.0
258.96826	2.8
258.99826	43.7
260.00137	4.9
260.99936	7.5
261.03122	11.9
262.02869	2.0
262.99792	1.5
263.02927	6.8
274.97522	54.2
275.98035	5.2
276.97650	18.0
277.00797	100.0
277.97891	2.2
278.01205	7.4
279.00754	17.1
280.00958	3.2
282.01273	2.2
282.99976	23.1
284.00143	3.4
284.99713	17.6
286.00055	2.0
290.95331	2.7
292.98575	47.7
293.98798	5.1
294.98703	9.1
298.98059	2.3
300.02383	3.0
300.97604	10.5
301.00952	51.0
302.01044	8.4
303.00830	38.5
304.00864	3.8
305.00848	2.2
316.98608	8.5
317.98990	2.4
318.98563	32.9
319.01999	4.2
321.01981	2.1
336.99741	3.1
356.96835	2.7
359.01917	10.8
376.98669	16.9
377.03500	3.4
383.00281	3.3
396.94760	3.9
401.01443	19.9
402.01599	2.8
418.98010	4.0
419.02744	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	399.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.5
55.05507	12.0
56.05025	5.5
56.96572	4.7
57.07067	5.0
60.04526	100.0
67.05501	20.1
68.05015	2.4
69.03424	5.6
69.07065	14.4
69.38329	12.0
69.38737	3.4
70.06585	4.8
71.04988	2.5
71.08623	3.0
72.04515	2.3
74.06069	3.9
75.41167	2.0
79.05486	12.0
80.04986	2.3
81.03417	4.0
81.07055	17.7
82.06577	6.5
83.04982	3.4
83.08625	9.5
84.04506	18.6
85.02894	5.7
86.06062	85.4
91.05469	7.8
93.07049	13.3
94.06555	2.2
95.04968	6.9
95.08614	19.3
96.08144	2.0
97.10174	3.6
98.06052	13.3
100.07626	5.3
101.06021	2.0
104.62005	2.1
105.07011	7.8
107.08578	6.8
109.10162	7.6
110.06032	3.0
111.08031	1.9
112.07591	7.0
119.08569	10.9
121.10146	9.1
126.05495	4.7
128.07068	28.1
129.45164	2.0
130.14980	1.8
131.08514	2.1
133.10133	6.6
135.11703	4.8
137.13225	2.0
140.07080	4.3
145.09717	48.0
147.06560	3.0
147.11681	4.0
149.13206	2.4
157.06494	6.2
159.11632	3.5
161.13278	2.3
163.14836	3.3
173.13252	3.1
178.08629	1.9
213.05473	22.4
218.92944	1.6
220.39667	1.8
261.22101	7.9
262.25317	2.8
263.23883	2.1
274.97318	2.0
279.93738	1.8
280.26239	11.8
298.27383	14.2
316.28647	11.5
334.27478	2.1
346.27527	2.9
364.28418	17.8
381.31287	5.2
382.29886	2.9
399.12183	8.1
399.32172	100.0
400.24490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03437	1.0
61.00279	0.2
61.02918	0.2
69.03429	3.0
71.00249	0.3
71.01356	0.4
73.02927	0.9
81.03413	0.3
83.04980	0.2
85.02915	1.4
86.11235	0.1
86.92682	0.1
87.04458	0.2
94.04033	0.2
97.02902	2.3
99.04469	0.3
109.02883	0.2
115.03925	0.7
116.25111	0.2
119.03578	1.1
121.11477	0.2
133.04953	0.9
136.06183	100.0
137.04570	0.6
137.06531	0.6
137.18863	0.2
142.16522	0.1
145.04951	0.3
187.06001	0.2
197.01283	0.3
198.88284	0.2
211.05841	0.2
222.46098	0.1
237.02901	0.3
268.10410	7.0
359.06415	0.2
370.95532	0.2
400.14624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1868
Annotation	Ser Phe Phe
Peak:m/z	Relative Intensity
56.96575	0.7
60.04526	11.7
60.04811	0.8
65.22984	0.4
67.05531	0.5
69.03439	0.8
70.02956	1.6
70.06597	1.1
71.59748	0.5
79.05490	0.5
81.07062	0.5
85.02914	1.3
86.09711	1.2
87.05590	15.6
88.04004	0.5
91.05500	1.7
93.07039	0.9
95.04980	0.6
95.08536	0.5
98.97575	0.4
103.05470	4.1
105.07041	3.3
107.04959	2.3
107.08589	0.4
109.02847	0.4
111.94112	0.4
115.05418	0.6
116.98598	0.4
117.07030	2.1
119.07333	1.7
119.08594	0.4
120.08108	100.0
121.08463	0.7
129.07045	0.4
131.04872	0.5
132.08133	0.5
133.06506	0.6
134.09656	1.1
144.08083	18.2
145.06487	0.5
146.09645	1.4
160.07509	0.6
162.09148	16.2
162.10475	0.9
166.08635	9.9
172.08748	0.5
177.10216	0.5
181.13251	0.4
207.11292	95.2
208.11606	0.8
235.10774	13.6
237.02718	0.4
313.15421	2.0
315.60358	0.4
337.22244	0.5
341.10257	0.5
344.11017	0.3
400.25204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2892
Annotation	Strongylophorin 23
Peak:m/z	Relative Intensity
51.85418	1.1
52.99077	1.1
53.03918	1.5
55.01870	7.6
55.05498	4.9
56.96568	1.4
57.03419	2.0
57.07064	1.2
65.57891	1.0
67.05502	9.6
69.03429	2.1
69.07054	4.3
71.08620	1.9
71.59407	1.8
79.05491	9.5
81.07054	27.7
83.04967	5.7
83.08598	2.7
91.05475	8.3
92.36173	1.1
93.07046	16.7
93.59528	1.1
95.04924	1.9
95.08603	15.4
97.06514	2.4
105.07016	14.4
107.04940	2.2
107.08595	14.8
109.06517	2.3
109.10139	6.5
111.08079	5.7
117.07008	2.6
119.08558	9.8
121.06493	4.3
121.10124	7.3
123.11703	2.2
128.06245	1.5
129.07045	2.1
131.08571	7.3
133.10141	10.3
135.08046	3.1
135.11688	13.0
142.07751	2.5
143.08531	4.5
145.10124	12.6
147.07973	1.3
147.11668	7.2
149.09525	1.3
149.13254	2.2
155.08525	1.4
157.10120	9.9
159.11679	9.7
161.09645	2.9
161.13202	2.2
163.11241	2.2
169.10129	2.5
171.11705	3.9
172.95250	3.4
173.09657	2.1
173.13239	5.2
174.98474	1.4
175.09831	1.7
175.11174	8.2
175.14807	3.5
177.12749	1.6
179.42159	1.4
182.11015	1.4
183.11705	3.6
185.13271	4.8
187.11223	1.6
187.14810	5.1
189.12697	2.2
190.96312	1.5
197.13194	3.4
199.14810	3.2
201.12813	2.0
201.16370	2.1
207.13680	1.7
211.14859	2.4
213.00177	2.0
213.16405	1.6
215.18022	1.4
225.16492	1.6
227.17932	1.3
237.16333	1.3
285.18338	1.9
293.22635	2.3
311.23795	1.9
319.21378	1.6
363.26794	3.9
381.27933	8.3
394.11829	1.3
399.28943	100.0
400.29224	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	399.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41686	0.6
53.29713	0.7
60.41103	0.8
62.11129	0.8
70.72491	2.1
77.00866	0.7
129.61758	0.7
153.01797	1.6
166.70798	0.6
185.04196	8.7
219.12291	0.7
233.40428	0.7
237.14676	49.5
238.15045	1.5
255.14420	7.0
273.15512	1.4
323.63196	0.7
324.46844	0.7
334.81680	0.8
399.10892	3.9
399.19882	100.0
400.11459	1.0
400.20273	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	399.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63628	0.1
54.63166	0.1
55.05515	0.9
56.05027	0.2
56.31530	0.1
56.96566	0.4
57.05815	0.3
57.07078	1.4
58.06586	0.1
61.02922	0.4
67.05505	0.5
69.03432	0.2
69.07067	9.1
73.06543	1.9
79.05518	0.1
81.07056	0.4
83.04971	0.7
83.08625	0.3
84.08150	0.9
85.02866	0.2
86.09705	100.0
86.29957	0.1
87.10025	0.8
91.05453	0.3
93.07065	0.3
95.08585	0.3
112.07610	0.9
118.08661	0.1
121.10150	0.2
126.12747	0.2
130.08640	0.2
132.10149	0.1
133.10147	0.2
158.75064	0.2
168.13847	1.5
175.47519	0.1
186.14890	68.5
187.15251	1.1
214.14378	14.3
215.14796	0.2
231.08739	0.2
232.15350	0.2
243.09019	0.5
259.08560	0.3
261.09998	0.4
299.23416	0.6
301.09573	0.3
314.19608	2.1
317.17926	0.3
335.18942	0.2
399.28552	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22870	5.7
53.22940	6.2
54.83590	5.9
62.73729	6.2
69.03406	9.2
71.11905	12.2
71.12243	8.1
78.13137	6.0
85.02905	7.6
94.93002	64.3
96.92821	9.6
97.02883	24.5
97.03479	7.3
98.97583	11.3
104.08327	6.8
112.89600	23.9
114.89333	22.8
116.98553	8.3
136.06184	28.3
156.03572	12.9
177.00763	9.0
202.17157	6.6
206.88541	14.3
212.85207	11.7
219.01740	10.4
226.86864	37.3
228.05687	27.9
237.06279	20.3
248.89651	100.0
250.09357	20.7
250.89548	32.3
322.82944	24.2
324.82574	17.8
339.05710	7.8
397.98956	7.5
399.06744	28.8
422.09415	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	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01854	1.6
55.05502	1.8
56.84997	0.9
57.03442	5.4
61.02930	2.5
62.37590	0.9
67.05500	1.1
69.03426	10.9
69.95296	1.7
69.95704	4.3
70.06584	8.0
71.05007	1.0
71.08208	0.8
71.08591	1.5
71.24543	0.9
72.08167	2.3
73.02895	1.2
75.04480	1.4
78.41335	0.9
81.03403	3.8
84.04489	1.6
84.08138	3.1
85.02902	25.0
86.09715	3.2
86.45489	0.9
87.04485	2.2
95.04975	2.1
97.02893	10.6
98.97588	2.7
99.04469	3.4
102.04701	1.0
103.05463	47.5
105.07020	1.6
107.04931	1.6
109.02900	4.7
110.07121	1.4
111.04449	1.0
116.07101	1.4
116.98604	2.4
117.05481	1.9
127.03945	7.7
127.34049	1.1
129.05496	1.8
129.10220	1.4
130.04178	1.5
131.04924	100.0
131.89075	1.0
132.05222	1.4
133.06490	1.3
134.99683	1.1
136.06171	1.2
145.04932	2.3
145.10089	1.3
146.99702	1.3
147.04568	1.0
147.06497	1.5
148.05186	10.1
151.03864	1.9
151.07556	2.6
158.99686	1.2
159.08066	1.2
161.05956	4.6
163.03929	1.3
163.07535	46.5
171.11583	1.1
175.07587	1.3
201.09151	1.5
237.02812	2.0
237.11174	1.4
240.27211	0.9
255.01657	1.4
273.02866	2.6
297.02908	1.4
399.05981	1.5
399.17380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77155	0.4
56.96114	0.4
56.96564	9.8
69.03448	0.8
69.47066	2.8
69.47484	1.2
71.95275	1.3
81.12467	0.5
97.02892	2.0
98.20738	0.8
98.97581	39.1
116.98618	54.3
119.01923	1.8
134.99655	53.6
137.02943	1.2
140.00198	1.1
148.94310	0.5
153.00706	14.3
153.01907	0.9
158.01309	0.9
172.94382	1.6
174.97641	0.5
176.74550	0.4
177.00977	2.2
178.00974	0.7
179.00764	0.8
190.95387	4.9
192.98737	1.5
197.95078	0.5
208.96475	2.5
214.95367	1.4
216.98654	0.6
219.02031	1.8
220.02097	0.7
221.01804	0.6
226.97563	0.6
232.96480	7.5
234.99869	2.0
236.00082	0.5
241.94287	0.7
250.97609	7.3
256.96439	13.4
257.96805	0.7
258.99902	5.2
260.00015	0.8
261.00330	0.8
261.02988	3.6
262.03137	1.5
262.06174	0.4
262.99915	0.4
263.02914	1.5
274.97510	100.0
275.97852	1.7
276.97839	1.1
277.00830	8.9
278.01147	1.5
279.00870	0.8
282.99930	4.3
284.00116	0.9
292.98547	88.9
293.98892	1.4
294.99005	0.5
297.99072	3.9
298.97678	5.2
299.97873	1.1
301.01071	9.2
302.00998	2.2
303.00876	1.8
307.00491	0.5
310.99689	1.0
316.00186	2.5
316.98804	16.5
317.02521	0.8
317.98953	2.1
318.94757	0.5
340.95398	0.5
341.00259	0.5
356.98105	1.6
357.03439	1.1
372.92844	0.7
374.99268	7.9
375.02917	0.5
376.75336	0.5
380.96869	1.2
381.93228	2.0
382.43478	1.6
393.43979	0.6
394.91376	0.9
398.97919	5.6
416.99191	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	397.3102
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
51.72795	3.5
55.05508	5.0
55.77132	2.9
57.07050	3.3
66.51740	3.0
67.05518	16.5
69.07063	13.5
71.04984	6.2
79.05501	14.9
79.25674	2.6
81.07060	29.5
82.10474	2.5
83.08631	5.4
91.05478	18.8
93.07053	28.2
95.08617	22.6
97.10120	3.9
98.21552	4.5
99.08089	4.8
105.07027	27.7
107.08588	27.7
109.10147	22.8
117.06998	6.5
119.08600	23.2
121.10126	19.0
123.11711	7.0
127.11199	9.3
129.06973	8.2
131.08524	17.9
133.10135	21.7
135.11676	17.6
142.07724	6.1
143.08534	13.9
145.10127	27.2
147.11691	25.1
149.13235	5.8
155.08528	4.4
157.10106	20.0
159.11661	30.5
161.13275	12.7
163.11160	5.0
163.14882	3.8
169.10193	4.8
171.11723	10.5
173.13277	11.8
175.11172	11.1
175.14813	4.0
177.12750	5.3
177.16374	3.3
183.11737	7.9
185.13286	8.0
187.14838	5.2
189.12746	5.4
189.16458	6.0
195.11885	3.8
197.13261	9.6
199.14789	5.9
201.16382	9.4
203.17975	9.1
211.14912	5.8
213.16431	4.0
215.17932	4.1
223.14778	4.6
225.16377	6.3
229.82802	3.1
237.16356	4.0
239.17900	3.6
239.23892	3.0
241.19557	5.4
251.17975	5.2
267.21164	2.9
269.19046	5.4
275.77383	3.1
281.22736	3.2
293.22653	8.1
311.23523	4.6
361.28989	10.7
379.29974	50.9
397.31030	100.0
398.31451	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	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.74858	0.4
65.91553	0.5
71.34154	0.8
74.04355	0.4
74.04800	0.4
118.65488	0.4
145.64845	0.5
185.04253	2.5
189.05292	0.7
219.06273	1.6
234.08641	7.5
235.09393	8.7
367.13571	0.7
397.14694	100.0
398.15030	3.2
404.82147	0.5
416.83719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70981	0.6
67.05509	0.7
69.07088	0.7
71.40824	1.7
73.15154	0.6
79.05484	1.2
81.07056	1.9
84.50774	0.7
85.02921	1.0
86.84908	0.6
91.05488	1.3
95.08613	1.3
97.02910	0.8
105.07040	1.0
107.08597	0.8
109.02817	1.1
133.10104	0.9
137.02365	1.5
145.10202	1.4
147.11723	0.8
151.03897	4.0
177.07584	0.6
185.04218	13.7
187.07523	0.8
191.12357	0.6
197.05841	0.7
215.07010	1.6
235.13071	100.0
236.13359	1.6
243.91507	0.7
253.12897	2.6
256.06461	0.9
296.69321	0.8
364.98376	0.7
367.50082	0.7
397.18320	64.0
398.18570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02214	3.9
69.62612	3.6
71.58493	4.2
104.36743	4.2
113.46445	3.6
135.76128	4.7
395.59323	5.3
396.98837	5.0
397.07367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
56.96565	23.2
57.03428	4.4
61.02927	4.4
69.03429	7.2
70.06629	1.8
70.66883	2.8
70.67249	2.8
73.02911	5.3
81.03404	2.3
82.80180	1.3
83.04966	1.5
84.08152	1.7
84.96036	3.7
85.02909	10.9
91.03937	1.5
92.41081	1.3
93.03482	1.2
97.02903	8.3
98.97583	41.9
99.04453	2.8
109.02899	2.8
110.07166	2.1
110.97569	7.0
112.99125	36.0
113.03532	1.9
115.03936	1.6
116.98622	25.8
119.01815	3.0
127.03922	4.9
128.02318	1.9
128.98608	14.5
131.00171	81.5
131.01828	3.1
134.99649	9.0
143.00189	3.5
145.01682	2.6
145.05060	1.8
146.99667	12.8
149.01216	64.1
150.01682	2.1
154.01884	2.0
155.00243	1.5
155.01862	1.4
158.99663	7.4
161.01198	7.1
162.99149	1.7
163.02837	4.6
165.00758	3.9
167.02254	8.5
170.99673	4.8
173.01241	11.0
173.02803	2.4
175.02780	7.1
176.03319	1.9
177.00705	10.8
177.04192	2.3
178.04919	1.8
179.02405	1.4
182.03325	1.4
185.01344	1.9
185.02992	1.6
187.00330	2.8
187.02826	3.1
189.00700	7.3
189.03764	1.3
190.98674	1.5
191.02284	13.2
191.03926	3.1
193.00198	1.9
193.03841	12.4
195.01785	2.1
200.02383	1.7
200.04440	2.0
200.98976	1.8
201.00581	5.9
205.01353	3.0
205.03897	5.1
209.01378	2.3
211.04939	10.1
217.03831	1.6
219.01772	36.0
225.03514	1.9
227.02344	3.1
233.03317	4.1
235.02939	2.4
235.04904	2.8
237.02812	75.5
238.03281	2.5
245.05106	2.1
248.05484	14.4
248.55675	4.9
249.06285	7.9
250.07225	1.8
251.04449	1.6
255.03882	6.1
263.04477	4.4
265.08258	2.1
275.04288	14.1
277.05911	1.5
279.04047	1.8
281.05551	6.7
281.08319	1.4
293.05444	18.9
293.08524	1.9
295.07211	2.2
305.02005	2.1
316.05450	2.0
337.03830	2.0
337.08047	85.3
355.09097	100.0
373.09686	1.6
378.10657	2.8
397.10287	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	396.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
56.05030	2.3
56.96547	1.7
57.03433	1.4
57.07074	1.7
60.04526	100.0
67.05499	8.9
68.17918	1.1
69.07056	4.1
70.06596	1.4
71.59309	1.7
72.04520	2.4
74.06077	7.4
79.05472	3.8
80.05002	2.9
81.07060	10.2
83.08634	2.9
90.05534	1.9
91.05483	3.3
93.07053	3.4
94.06557	1.3
95.08611	7.7
96.88435	1.3
97.10136	2.1
98.98458	2.0
105.07002	2.0
107.08594	2.2
109.10141	2.5
119.08593	2.0
121.10121	2.8
135.11708	1.8
137.05745	1.2
140.01096	2.8
149.69478	1.0
231.80692	1.2
262.25430	3.4
280.26379	9.2
298.27426	35.5
396.25131	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	396.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11825	0.2
56.96556	0.6
67.05486	0.3
69.03434	0.3
69.07059	0.5
69.96233	1.4
77.82585	0.2
78.89542	0.2
79.05469	0.3
81.07050	0.3
85.02919	0.3
91.05466	0.4
93.07060	0.3
97.06541	0.6
99.59241	0.3
99.85235	0.3
116.98642	0.2
118.54071	0.2
119.56472	0.2
122.28179	0.2
127.87875	0.3
132.12791	0.3
133.63821	0.2
137.05986	1.5
150.64171	0.3
163.03940	0.3
213.08937	0.3
223.06857	0.3
259.09592	0.5
273.11328	0.5
296.18341	0.4
341.16388	0.6
359.17453	0.6
367.15479	0.3
378.25848	0.3
396.27203	100.0
397.16687	1.3
397.27628	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3307
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
50.78676	1.7
53.02268	1.8
55.05510	10.9
57.07079	16.5
60.29960	1.8
67.05503	7.2
69.07066	100.0
69.28917	20.8
71.08614	1.7
79.05506	5.2
81.07064	14.6
81.24521	2.0
83.08618	27.6
91.05476	4.5
93.07024	3.1
95.08606	12.1
97.10165	2.6
105.07021	5.1
107.08583	6.7
109.10147	7.9
117.07035	3.0
119.08560	3.5
121.10142	4.2
121.73396	2.0
123.11683	3.9
125.13274	12.3
131.08510	2.6
133.10107	3.1
135.11682	3.2
143.08580	5.6
145.10103	3.3
147.11676	2.6
155.08484	4.1
157.10152	8.2
159.11678	5.9
169.10129	4.6
171.11697	5.1
179.41438	2.1
181.10168	2.1
182.10956	2.0
183.11685	3.8
185.13254	6.1
187.14735	3.0
195.11781	4.6
197.13264	4.1
199.14790	6.4
209.13210	6.6
211.14845	9.3
213.16446	5.8
223.14948	4.6
225.16379	3.1
232.22076	2.4
237.16318	4.4
239.18149	2.1
251.18019	11.8
253.19545	4.7
265.43915	2.2
269.19055	6.5
269.22507	2.1
271.20578	2.5
293.22580	9.2
307.24207	4.4
311.23569	10.0
377.32040	14.6
395.33035	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	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40319	0.6
55.01873	0.7
56.96561	0.6
57.03418	0.6
67.05485	0.9
69.03424	2.0
70.06585	1.8
70.72569	1.9
73.02921	0.8
75.35320	0.5
81.03416	3.3
84.08191	0.6
85.02914	4.3
86.09739	0.7
87.00823	2.7
87.01293	0.6
95.08620	5.6
97.02888	2.3
98.97602	0.8
99.04455	1.0
101.44189	0.5
105.01914	1.1
105.68346	0.6
107.77921	0.7
109.02893	1.4
113.09647	100.0
114.09992	1.4
114.78895	0.7
116.98653	0.8
119.08649	0.7
120.12678	0.6
127.03920	2.4
131.10704	4.1
177.00806	0.7
207.13753	0.8
214.52502	0.6
294.24948	0.6
337.11646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64422	0.3
62.95644	0.4
67.05509	0.4
69.38993	1.4
69.39423	1.9
69.73930	0.3
81.07048	0.9
93.07014	0.5
95.04966	0.5
95.08596	0.9
99.50794	0.3
130.05313	0.4
180.06445	0.4
192.93314	0.4
193.30002	0.3
244.16084	0.3
321.22791	0.7
339.23712	0.6
395.27679	100.0
396.28088	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2792
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
55.05511	6.1
57.03421	1.3
57.07075	7.3
61.40236	1.0
67.05513	10.1
69.03409	1.2
69.07062	4.5
69.51788	2.5
69.52203	7.1
71.04999	1.2
71.08634	5.6
79.05481	6.1
81.07056	9.8
83.08613	1.8
85.06531	2.0
91.05467	6.6
93.07042	10.8
95.04948	2.0
95.08133	1.0
95.08616	9.9
97.06544	1.2
99.08083	3.3
105.07011	4.2
107.08610	6.7
109.06518	21.3
109.10157	5.0
110.07149	1.4
111.08065	2.3
119.08582	6.7
121.10159	4.8
122.07304	2.4
123.08070	31.5
126.11716	1.2
128.76250	1.1
129.92050	1.0
131.08586	3.2
133.10115	3.4
135.08022	6.7
135.11705	2.0
137.09612	3.8
143.08443	1.2
145.10120	4.0
147.11639	3.2
149.09564	2.6
149.13319	1.8
159.11676	1.6
161.09595	2.0
161.13255	1.6
163.11203	1.2
167.14285	2.1
171.11658	1.2
173.13289	1.4
175.14809	1.3
177.12753	1.7
177.16335	1.3
179.14307	96.2
180.14648	2.5
185.13280	1.6
187.14745	2.3
191.14268	1.4
193.15883	3.9
197.13210	1.2
205.15865	11.6
275.23618	3.1
303.23169	49.2
304.23364	1.3
321.24332	2.3
341.56503	1.1
377.27704	1.2
388.43814	1.1
395.27905	100.0
396.28293	3.9
418.81143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05508	30.2
56.96288	1.6
56.96563	26.8
69.73136	6.2
71.95254	2.1
72.96046	2.3
74.97585	0.9
79.51193	1.0
81.07042	1.7
83.08616	7.9
93.07044	2.0
94.78145	0.7
95.08586	1.3
97.06623	0.7
98.97564	2.0
105.07025	1.2
110.97619	1.1
116.98611	2.5
134.99631	3.3
157.05336	0.8
157.10156	1.3
159.81432	0.8
169.05289	1.0
173.04936	1.2
175.06371	1.8
182.10968	0.9
196.99637	0.9
197.13298	0.9
199.95192	0.9
210.52122	0.8
223.10020	4.2
235.10075	2.3
241.11128	25.4
241.53786	0.9
253.11110	48.1
259.12173	43.4
264.12711	2.6
271.12152	100.0
276.12640	2.8
282.13724	3.7
289.13245	6.8
294.13766	19.0
332.28781	0.9
335.19321	1.4
353.20084	4.0
395.21066	22.4
395.25839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
57.07057	0.3
67.05492	0.4
68.89870	0.3
71.29795	0.6
81.07037	0.6
82.76197	0.3
93.07032	0.4
94.86678	0.3
95.08602	0.4
121.10133	0.3
131.21046	0.3
133.10167	0.3
158.27679	0.4
210.14813	0.3
281.17148	0.4
308.69095	0.4
320.52463	0.3
321.22766	0.5
339.23868	0.4
395.27682	100.0
396.27997	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	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61959	0.5
71.06789	0.8
71.07130	0.5
85.02885	0.8
161.05959	0.7
185.04204	5.0
217.04672	1.1
231.06146	0.5
232.07069	12.9
233.07825	9.0
234.76678	0.4
245.40327	0.4
332.66910	0.5
364.11209	1.8
365.12231	0.8
395.13147	100.0
396.13406	2.5
401.55322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13524	0.6
55.58237	0.7
56.06757	0.6
56.96563	13.9
67.05480	0.7
69.03429	1.0
69.07061	2.6
69.59205	4.9
69.99515	0.6
70.06593	4.0
72.08147	1.8
74.55568	0.6
74.97617	1.1
79.05459	0.7
84.04520	0.8
84.08134	1.3
84.96040	7.5
85.02897	1.8
86.09695	2.6
87.09972	0.7
91.05481	17.9
93.06990	1.0
95.04930	0.9
95.08598	0.9
97.02891	1.4
97.96809	2.4
98.97581	27.6
105.06992	0.8
110.07138	1.0
110.97543	6.0
111.11688	0.8
112.99133	1.1
115.97842	2.9
116.98620	24.2
119.01910	0.9
120.08109	1.3
127.03853	0.7
128.98601	14.7
131.00143	2.0
131.08508	0.8
133.98839	1.3
134.99666	12.3
136.07527	1.6
140.98610	0.7
143.00148	2.9
143.08585	1.1
144.98106	1.5
145.10085	2.0
146.99648	13.0
147.04454	1.0
149.01215	3.4
152.98589	3.0
153.00745	1.6
155.00131	1.0
157.10089	1.1
158.99644	6.8
161.01225	7.1
162.99153	2.4
165.00732	2.5
165.02145	1.3
170.99638	5.0
173.01248	2.1
177.00722	10.4
177.02188	1.2
179.02277	2.2
183.03279	2.4
183.11606	0.6
189.00708	4.1
189.02203	1.0
191.02292	2.0
195.01714	2.6
200.02492	0.7
201.00696	2.4
207.03279	11.5
207.11766	0.8
219.01736	13.0
225.04305	8.4
235.03038	0.7
237.02808	33.2
249.04439	1.1
249.12769	0.8
255.03867	4.6
260.04382	1.4
261.04306	1.5
267.05441	1.4
309.06442	20.6
313.14142	0.9
319.10574	1.0
327.07498	100.0
328.07837	1.5
331.15454	1.1
350.09174	4.7
351.07623	3.0
369.08536	8.1
377.15750	0.9
395.07248	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	395.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
56.96562	14.1
63.76675	0.8
65.53108	0.7
67.05492	2.5
69.07065	2.5
69.94524	4.2
79.05490	1.0
81.07050	4.6
83.08630	0.9
84.96025	3.6
91.05486	2.8
93.07035	2.3
94.07365	0.8
94.90824	0.7
95.08601	4.8
96.08918	1.4
98.97580	28.6
105.07034	2.3
107.08593	3.3
109.10157	2.6
110.10456	0.9
110.97562	4.3
112.99149	0.7
116.97808	1.3
116.98626	25.3
117.07042	0.8
119.08577	1.7
121.10161	2.0
122.10417	0.8
123.11733	1.3
124.99129	2.2
128.98607	10.3
131.00140	2.5
131.08580	1.2
133.10127	2.1
134.99666	15.0
135.11713	2.0
140.00168	1.8
140.98575	2.0
143.00157	14.0
145.10130	2.0
146.10463	0.8
146.99663	11.1
147.04439	1.4
147.11690	1.7
148.11981	0.8
149.01236	1.2
149.13228	1.0
152.98590	1.8
153.00719	1.2
155.00159	0.9
157.10046	0.7
158.01215	1.1
158.99669	10.5
159.11700	1.8
160.12065	1.2
161.01228	22.9
161.13261	1.0
162.99174	1.4
163.14877	0.8
165.00775	1.2
170.01234	0.9
170.99655	10.9
173.01277	1.5
174.13576	0.9
174.99188	0.9
175.14754	1.3
177.00705	21.4
177.16496	0.9
178.16708	0.8
179.02280	3.0
182.01234	0.9
184.02806	1.4
185.01195	4.9
187.14798	1.5
188.15129	1.1
189.00713	21.1
189.16400	0.9
191.02298	1.4
194.99715	3.0
195.01796	3.9
200.02223	1.7
201.00648	5.8
201.16370	0.9
203.02223	4.4
204.18205	1.3
207.01695	2.9
212.02313	3.0
213.00734	5.4
214.16689	1.1
216.18349	1.1
219.01765	26.5
231.01752	1.1
237.02832	55.4
242.03438	2.0
255.03888	4.6
256.21445	0.8
260.04407	4.3
261.02802	19.3
279.03885	70.7
280.04141	2.1
297.04880	1.1
302.05511	10.2
321.04898	1.5
335.02856	100.0
336.03339	1.9
353.03931	4.5
376.05420	3.8
394.35458	7.7
395.29120	1.7
395.35629	0.9
402.35464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.7
57.03425	3.8
67.05502	14.3
69.03423	7.2
69.07075	13.8
71.04986	3.6
79.05481	9.5
81.07050	42.8
83.04974	5.5
83.08608	8.3
85.02898	17.4
85.06550	6.3
91.05509	13.3
91.05997	2.7
93.07051	17.8
95.08044	5.0
95.08609	60.2
95.09165	4.9
97.02902	7.6
97.06529	12.6
97.10186	5.0
98.21545	5.7
99.08109	4.2
105.07037	20.3
107.08601	7.1
109.06506	2.7
109.10147	4.7
111.79969	2.7
115.07548	3.8
119.08591	21.3
120.27551	2.7
121.10146	11.4
123.08064	4.7
127.03856	4.5
127.07545	2.7
133.10144	18.4
135.11697	12.3
137.13263	16.1
161.13251	82.9
162.13693	4.1
172.21849	3.2
179.14316	100.0
197.15346	43.9
215.16443	7.6
229.31772	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71828	0.7
53.03924	1.9
55.01860	1.3
55.05513	7.4
56.05024	0.9
56.96555	1.1
57.03415	2.7
61.02924	3.4
67.05494	6.4
69.03432	8.8
69.07063	10.4
70.06579	4.2
71.04964	2.4
71.60299	1.5
72.08125	3.2
73.02911	1.4
73.06542	0.8
74.06069	1.4
79.05489	4.0
81.03417	5.1
81.07053	14.7
82.06531	1.0
83.04957	1.5
83.08617	7.2
84.08119	3.1
85.02425	1.2
85.02906	20.1
85.06509	2.2
86.09696	7.8
87.04463	1.9
91.03963	0.9
91.05476	4.4
93.07043	4.1
95.04951	1.5
95.08607	19.3
97.02890	8.1
97.06521	4.0
97.10142	2.2
98.97559	0.8
99.04445	1.5
99.08058	1.7
101.02448	0.8
105.07008	5.1
107.04932	0.8
107.08566	2.7
109.02866	3.0
109.06503	1.2
109.10132	2.6
110.97563	0.7
111.08073	1.5
114.09193	0.8
116.07105	0.8
117.07014	0.9
119.08570	6.9
120.08129	3.7
121.10121	2.1
123.08024	1.8
127.03916	4.5
127.26046	0.7
129.10254	1.0
131.08549	1.2
133.10132	4.5
134.99643	1.1
135.08081	0.9
135.11661	3.1
136.07649	1.1
137.05998	1.0
137.09633	0.9
137.13301	3.8
141.09137	0.9
145.04938	2.3
146.06026	0.9
146.99571	1.0
147.00662	0.7
147.04375	1.5
161.13254	12.2
178.15904	1.0
179.10620	0.8
179.14299	6.2
185.16484	2.0
196.16994	9.6
197.15369	3.0
213.16063	0.8
214.18016	67.5
215.18359	1.6
215.91672	0.7
218.57921	0.7
232.19070	100.0
233.07802	0.9
233.16524	1.5
233.19312	1.5
237.02817	1.1
256.19144	1.1
260.95755	0.7
274.20209	1.1
340.21210	1.9
358.22141	2.0
376.23242	3.2
394.24588	50.4
395.13245	3.8
395.24829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.6
57.07065	4.7
67.05513	13.2
69.06763	1.9
69.07072	20.7
69.27847	18.7
79.05480	7.5
81.07065	46.9
83.08612	10.7
84.04499	3.1
91.05484	12.0
93.07050	22.8
95.04971	1.7
95.08611	67.0
97.10172	5.5
105.07030	26.4
107.08598	35.2
109.10159	32.0
117.07018	3.0
119.08589	31.4
121.10139	28.2
123.11699	19.0
129.07002	1.9
131.08582	15.8
133.10141	19.6
135.11671	14.1
137.13258	13.5
143.08569	9.3
145.10121	20.7
147.04427	5.0
147.11681	15.5
149.12146	2.9
149.13269	25.2
157.10112	6.5
159.11685	20.6
161.13260	11.5
163.14813	17.0
171.11717	7.8
172.12386	2.2
173.13228	11.4
175.14865	22.2
177.16354	17.5
179.17963	2.2
183.11774	2.1
185.13243	6.2
187.14821	21.4
189.16364	13.3
191.18002	6.3
199.14845	7.7
201.16441	16.3
203.17947	21.8
205.19551	2.7
213.16371	16.2
215.17926	13.6
217.19547	8.6
227.17953	5.3
229.19566	5.7
231.21071	2.5
241.19501	14.8
243.21069	12.5
245.22668	2.7
255.21094	18.1
257.22495	2.2
269.22565	10.9
297.25763	3.3
309.25650	2.7
323.27533	2.5
366.54193	1.8
370.19772	2.1
393.27499	4.1
393.35159	100.0
394.35446	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	393.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18732	1.3
53.03949	1.8
55.01857	1.2
55.05505	17.9
56.43200	1.0
57.03427	4.2
57.07080	2.0
58.55173	1.2
65.03910	1.8
67.05501	43.1
68.05877	1.0
69.07066	20.4
69.31185	9.2
69.31588	2.6
71.04987	4.7
79.05492	26.0
79.05949	1.6
81.07053	100.0
83.04974	6.4
83.08608	13.8
85.06548	5.2
91.05477	29.9
93.07037	32.4
95.04950	4.1
95.08604	98.2
95.34891	1.1
97.06528	12.6
97.10166	6.5
99.08078	8.0
105.07030	32.3
107.08585	13.0
109.06510	4.6
109.10159	11.3
111.08105	3.3
113.09641	3.7
115.07533	1.6
116.94144	1.5
117.07019	4.6
119.08579	42.3
121.10134	14.4
123.08067	7.2
123.11686	2.7
127.07573	1.3
131.03845	1.0
131.08572	4.8
133.10127	27.6
133.11086	2.1
135.11681	18.2
137.09610	2.1
137.13248	12.3
141.09103	1.7
145.10118	5.5
147.08072	1.0
147.11720	2.0
149.09619	1.3
149.13289	1.6
151.14824	1.2
154.92178	1.3
157.10054	1.7
159.11682	2.9
161.13255	70.1
162.13625	1.3
171.11708	1.5
175.14943	1.3
177.12714	2.2
179.12711	2.6
179.14301	48.1
187.14830	1.4
197.15395	3.3
211.14857	1.6
281.32968	1.3
339.26843	1.6
357.27945	11.4
375.28922	10.0
393.30005	4.2
396.78613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.05507	9.1
56.96550	1.7
57.03405	1.5
57.07063	4.3
67.05498	14.6
68.38095	1.2
69.03419	4.4
69.07066	19.9
71.04992	1.4
71.08648	1.4
71.59277	2.1
79.05498	9.6
81.03400	6.2
81.07055	45.0
83.04988	1.6
83.08629	11.2
85.02899	6.3
87.00800	2.2
91.05466	9.6
93.07036	22.5
95.08603	62.9
97.02877	2.4
97.10162	4.8
97.11864	1.2
98.97557	1.6
99.04456	3.3
105.07020	21.0
107.08598	30.4
109.02885	3.6
109.10146	25.2
111.11736	3.4
116.98589	2.4
117.07015	4.4
119.04957	3.0
119.08572	27.7
121.10143	21.8
123.11681	13.3
127.03924	9.7
129.07010	3.9
131.08530	12.0
133.10129	19.3
135.11681	11.6
137.13266	11.7
143.08527	8.3
145.10118	20.1
147.04427	10.1
147.11682	16.7
149.13257	26.4
151.14822	1.6
157.10143	6.5
159.11674	23.4
161.13246	10.5
163.14824	19.9
165.16365	1.9
171.11707	6.4
173.13243	11.1
175.14822	23.7
177.16380	14.2
179.17838	1.8
183.86090	1.4
185.13255	5.1
187.14827	23.2
189.16406	12.0
191.17926	6.9
199.14815	7.3
201.16345	12.9
203.17949	18.3
213.16364	19.8
215.11269	2.3
215.17917	16.6
217.19524	6.4
227.17970	6.2
229.19543	8.3
231.21179	6.1
234.02158	1.7
241.19499	14.4
243.14494	1.6
243.21040	12.2
253.12834	1.8
255.21078	14.2
257.22638	3.9
269.22781	8.1
269.25174	1.8
277.91876	1.4
283.24255	3.4
297.25967	1.9
309.25821	3.1
323.27402	2.5
335.20581	3.2
351.30536	1.7
353.21780	3.8
371.22910	5.7
383.40427	1.6
393.27341	3.1
393.35187	100.0
394.35437	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
53.20761	2.9
55.05508	25.0
57.07079	20.6
63.34007	3.3
65.03943	5.4
67.05505	42.2
69.03410	3.7
69.07072	20.1
71.08620	15.0
79.05500	38.2
81.07061	72.6
83.04939	5.0
83.08608	13.8
85.06536	4.5
91.05476	56.9
93.07049	81.8
95.04971	60.0
95.08607	72.6
97.06509	12.1
98.21471	5.9
98.98468	32.3
105.07032	100.0
107.04929	4.2
107.08594	58.8
109.06528	21.9
109.10154	34.7
115.05450	4.6
117.07033	22.6
119.08583	92.7
121.06494	16.2
121.10143	50.4
123.08051	7.2
123.11698	14.5
126.58865	3.4
128.06206	8.1
129.07024	19.0
130.07809	4.9
131.08569	44.2
133.06479	5.5
133.10118	52.5
135.08031	4.2
135.11723	23.2
137.09680	5.8
141.06993	8.8
142.07808	19.9
143.08556	32.1
144.09271	5.4
145.10118	62.8
147.11676	24.2
149.09613	7.0
154.07709	5.0
155.01036	44.7
155.08571	9.6
156.09341	12.7
157.10143	57.9
158.10849	7.9
159.08064	4.5
159.11699	45.8
161.09634	15.3
161.13242	14.5
163.11139	5.1
165.07098	8.0
167.08528	8.6
168.09297	5.2
169.10175	19.8
170.10947	6.1
171.11682	26.2
173.09554	4.4
173.13269	19.7
175.11140	8.1
175.14876	11.7
179.08507	7.6
181.10176	12.8
182.10947	5.8
183.11644	23.7
185.13283	16.2
187.11177	7.1
187.14853	12.5
191.02380	3.3
193.10094	8.5
194.10934	4.2
195.11700	13.6
197.13281	19.3
199.11356	4.0
199.14841	8.9
201.12627	3.4
201.16406	11.8
205.10106	4.1
207.11682	7.5
208.12593	5.0
209.13232	16.3
211.14787	10.8
213.12561	3.2
221.13365	4.6
223.14833	8.5
225.16280	6.0
229.12381	3.6
235.14731	5.6
239.14262	3.7
239.17876	4.0
239.23729	3.4
241.19568	3.8
375.26843	4.3
382.93204	3.8
393.27768	13.8
394.29361	5.2
419.71875	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	1.8
60.23614	0.7
64.77991	1.1
67.05511	1.7
69.07066	1.4
70.14561	3.0
70.14975	1.4
79.05489	1.7
81.07036	3.4
82.19674	0.8
91.05479	2.8
93.07052	1.6
95.04963	1.1
95.08591	2.8
103.82077	0.9
105.07014	1.8
107.08611	1.2
109.10162	1.0
119.08548	1.5
121.10110	1.3
131.08508	1.0
133.10120	1.0
145.10161	0.9
149.01237	0.9
161.13261	1.9
176.08511	0.8
222.30333	0.9
280.50659	0.9
317.46591	0.9
323.61084	0.8
393.26089	100.0
394.26221	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96844	0.3
55.05519	0.2
55.66558	0.3
55.73378	0.3
56.96557	0.3
67.05483	0.3
67.35504	0.2
67.46342	0.3
69.07072	0.2
70.31151	0.8
70.31493	0.2
78.50349	0.2
81.07044	0.5
93.07021	0.3
95.08585	0.5
102.37666	0.2
110.11737	0.2
111.89857	0.2
113.81048	0.2
119.08550	0.3
230.47855	0.3
231.32295	0.3
263.04675	0.3
301.95535	0.3
370.19946	0.4
375.25314	0.3
393.26089	100.0
394.26425	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	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.9
57.03438	4.8
57.07078	36.6
66.35567	0.8
67.05502	13.2
69.07070	8.2
69.77676	5.3
71.08632	28.2
79.05489	2.7
81.07057	17.2
83.08618	10.4
85.06579	0.7
85.10185	12.9
91.05493	3.7
93.07039	6.1
95.04954	2.6
95.08610	25.5
97.10166	5.9
98.98467	57.9
99.08103	1.2
99.11725	1.6
105.07032	5.4
107.08597	4.0
109.06505	1.5
109.10165	13.7
111.11700	2.0
115.42769	0.7
116.99509	3.5
117.07005	1.4
119.08584	5.3
121.06512	0.8
121.10159	3.1
121.13974	0.7
123.11698	7.0
125.13255	1.7
131.08572	2.9
133.10106	3.3
135.11687	2.3
136.11185	0.9
137.13254	2.6
140.01060	1.4
142.07779	1.8
143.08549	1.9
145.10153	5.1
149.66478	0.7
151.14816	1.2
155.01044	100.0
156.01395	0.9
157.10133	2.5
159.11684	3.2
161.09677	1.2
164.29320	0.9
165.16394	0.8
168.30719	0.8
169.10159	1.0
171.11717	0.8
173.02107	1.4
173.13254	2.1
175.14871	1.2
181.10123	1.0
196.03734	1.1
209.40501	0.8
211.14774	0.9
213.37611	0.7
218.78162	0.9
221.22667	0.9
239.23740	7.4
351.72937	0.8
382.98727	0.8
383.14838	0.8
393.27808	1.1
393.35178	1.8
394.29160	3.9
400.89801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05515	4.2
57.03421	1.1
58.99585	18.2
61.01118	1.1
64.80288	0.7
67.05519	6.0
69.07061	4.3
69.21867	0.7
70.86050	1.9
70.86404	0.8
71.04977	2.1
72.04123	0.8
73.01105	2.2
76.02232	6.9
76.04024	4.3
79.05493	4.2
81.07056	15.0
83.04982	1.1
83.08624	4.1
85.06548	4.2
86.99052	13.6
88.02222	3.8
91.05488	4.4
93.07042	4.7
95.08609	20.4
97.06554	4.8
97.10170	1.8
99.08068	2.6
105.07015	5.1
107.08588	2.9
109.10133	1.8
111.08066	1.7
116.01675	61.1
119.08591	9.0
121.10125	2.5
123.08068	1.0
130.04976	1.7
133.10080	5.4
135.11670	2.8
137.13222	2.7
144.01135	27.1
161.13258	17.5
162.02200	95.4
167.14369	0.9
178.66122	0.8
179.04846	1.3
179.14320	13.8
197.15364	14.1
209.44710	0.8
215.16411	2.1
229.12761	0.8
255.14027	1.0
272.16760	2.4
273.15121	2.5
300.45071	1.0
340.15680	2.2
358.16895	4.6
376.17969	5.9
393.18823	100.0
394.19296	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	393.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.03421	0.5
57.07078	0.6
57.98804	0.7
58.99579	14.1
61.01156	1.0
61.82199	0.6
67.05506	4.6
69.03430	0.6
69.07063	3.9
69.31460	6.0
71.04982	1.8
73.01139	1.1
76.02235	6.0
76.03992	3.1
79.05472	4.1
79.06988	0.5
81.07050	13.4
83.04972	1.3
83.08612	2.3
85.06532	2.3
86.99045	11.5
87.02694	0.7
88.02197	2.7
91.05482	4.0
93.07044	4.2
95.04965	0.8
95.08602	17.5
97.06514	4.4
97.10152	1.3
99.08116	1.6
105.07030	4.2
107.08596	1.9
109.10150	1.6
111.08120	0.5
113.04268	0.7
115.35001	0.6
116.01672	48.9
119.08578	7.1
121.10122	2.2
123.08086	0.9
130.05031	1.0
133.10136	5.1
135.11755	2.7
137.09624	0.7
137.13229	1.9
144.01131	19.4
159.11726	0.7
161.13248	13.3
162.02193	72.6
163.02507	1.0
179.04872	1.1
179.14290	11.7
197.15346	12.2
215.16447	2.0
229.12573	0.6
255.14046	1.3
272.16843	1.8
273.15240	1.7
300.16309	0.8
336.86691	0.6
340.15695	2.3
358.16989	3.8
369.77170	0.6
376.17883	5.4
393.18796	100.0
394.19012	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	393.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.96549	1.4
57.07052	1.3
58.99579	2.8
67.05505	2.5
69.07055	2.4
76.73516	0.8
79.05477	2.1
81.03418	0.9
81.07059	11.6
82.25899	0.9
88.02248	1.3
91.05457	4.2
93.07031	3.1
95.04985	0.8
95.08612	6.0
97.60423	0.7
98.97581	0.8
105.07041	4.1
105.07594	0.7
106.07385	0.8
107.08589	2.9
109.06478	0.9
109.10160	2.6
110.06126	0.9
110.62766	0.8
112.02194	2.9
116.01691	6.3
116.71211	0.7
116.98574	1.6
117.07018	1.5
119.04903	2.2
119.08578	2.6
121.06524	0.9
121.10138	2.0
123.11710	16.2
126.03713	1.1
129.06921	0.8
131.08571	4.4
133.10121	1.4
135.11703	1.2
140.05379	1.0
140.85310	0.7
142.07687	0.8
143.08548	2.9
144.01108	1.0
145.10136	5.7
147.04407	6.2
147.10617	0.8
147.11734	1.8
149.04253	1.1
149.13361	0.7
152.05347	0.9
155.08551	2.7
157.10143	4.1
159.08037	1.8
159.11778	1.6
161.09569	1.0
162.02248	1.1
162.09196	0.9
168.04802	5.7
169.10103	1.1
171.11667	1.4
173.13286	5.1
174.12804	1.4
177.00754	1.1
185.13287	1.0
187.11093	1.0
187.14830	3.2
188.14395	1.4
189.03325	1.0
189.07495	0.9
190.98582	1.0
197.13249	3.5
198.12752	2.1
199.14833	2.4
204.10216	1.1
213.15092	1.2
214.15924	2.1
215.04907	1.7
215.14299	5.9
216.13754	1.3
226.15880	1.7
231.11935	1.5
231.16080	1.6
232.11453	1.0
232.16956	1.9
238.15962	0.8
243.98746	0.8
244.16872	1.0
247.11729	0.9
255.01633	0.8
271.07489	3.7
272.14688	3.5
290.15521	4.8
290.17719	4.7
375.17343	13.8
376.17709	1.2
393.18417	100.0
393.35214	1.9
394.18747	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	393.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01869	3.4
55.05513	0.5
56.85040	0.4
56.96558	0.9
65.03931	2.4
67.05510	1.9
69.03432	0.9
70.06600	3.9
71.13080	0.5
71.13420	1.1
72.08160	1.1
73.02919	24.5
78.02666	0.5
79.05460	0.7
81.03430	0.5
81.07011	0.5
83.37049	0.5
84.04506	1.1
84.08151	1.3
85.02891	2.3
86.09714	3.3
91.03947	1.3
91.05470	3.8
93.03383	0.5
93.07072	0.7
95.04961	2.1
97.02876	0.7
98.97602	0.5
103.05486	0.7
104.05347	0.7
105.07049	0.7
107.04943	0.7
108.02099	1.1
109.02888	1.1
110.03658	3.2
111.04447	4.9
116.98608	0.5
119.04942	3.1
120.08122	6.3
121.06524	0.7
123.04420	0.9
125.05997	34.6
127.03963	0.6
129.10263	0.6
133.06508	0.7
136.07544	0.8
137.05974	6.0
141.05487	3.0
143.08575	0.5
145.10054	0.7
147.04437	3.5
149.05971	5.2
151.03911	100.0
151.04999	6.6
151.07439	3.3
152.04268	0.9
159.04324	0.5
159.11603	0.5
161.05971	1.9
171.71042	0.4
179.07043	25.3
197.08093	48.2
216.79166	0.5
232.07852	0.5
233.16557	0.7
253.08647	1.0
265.60925	0.6
273.11221	0.8
283.12305	0.6
285.67563	0.5
393.07227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77624	1.0
53.03940	3.2
55.01876	2.6
55.05506	1.8
56.96571	1.1
57.03429	1.1
61.89592	0.9
65.03939	8.9
67.05507	3.6
67.10725	0.9
69.03432	3.9
69.04556	1.1
69.07057	1.0
70.06583	2.0
71.01360	2.8
71.04996	1.8
71.59959	1.1
72.08150	1.2
79.05493	6.1
81.03403	5.4
81.07063	6.2
82.04206	2.8
84.08169	1.0
85.02898	6.1
86.09691	9.1
88.16725	0.9
91.05476	14.6
91.06007	1.3
93.03412	2.4
93.07058	3.9
95.04973	13.6
95.08613	1.9
97.02912	2.1
97.06522	1.9
98.97591	1.4
99.04444	1.1
103.05479	1.8
105.03397	6.0
105.04498	1.0
105.07034	2.9
106.04181	1.0
107.04963	8.9
107.08600	1.5
108.02151	1.3
109.02897	2.3
109.06532	11.5
109.10129	1.1
110.03682	3.2
111.04448	5.4
117.07025	1.3
117.75179	1.0
119.04958	6.3
119.08566	2.0
120.05746	1.6
120.08109	14.7
121.02931	1.8
121.06509	23.5
121.10208	1.0
122.03652	1.4
123.04434	8.7
125.06003	4.2
127.03935	1.8
131.04922	2.2
131.08620	1.1
133.02850	15.1
133.06491	7.5
134.03658	1.9
135.04398	3.5
135.06567	1.2
136.05208	1.5
136.29372	0.9
137.05975	22.4
138.03113	2.3
139.03900	2.9
140.04642	2.7
142.02618	1.1
143.11826	3.3
145.06447	1.3
147.04396	7.6
147.09189	3.2
148.05147	1.3
149.05984	37.7
151.03906	7.2
151.07552	5.6
153.05461	9.6
154.06256	3.9
155.07071	9.6
159.09186	1.8
161.02354	1.2
161.06001	2.7
163.03853	1.6
163.07584	1.4
163.11142	0.9
165.05486	29.4
166.02617	1.4
166.06310	4.7
167.03400	1.4
167.07054	9.4
169.04980	2.1
171.06624	6.1
175.03854	2.0
176.04704	1.5
177.05466	10.3
178.02588	2.0
179.07016	4.7
180.07817	19.5
181.04962	100.0
182.05374	2.6
183.06581	1.3
184.09930	1.2
185.10735	3.3
191.08208	11.2
193.04982	19.9
195.06523	2.8
196.07320	4.7
197.08107	8.5
198.06673	1.1
201.12415	2.8
207.06531	9.4
208.07309	51.5
209.07817	1.7
211.06026	2.5
213.85205	0.9
221.04576	1.9
223.10736	3.3
225.07567	15.2
226.08372	33.1
245.12735	1.1
273.14911	2.6
297.03882	1.2
301.14401	2.6
306.14514	1.5
307.12766	2.7
329.10190	1.2
343.08267	2.1
345.09653	1.9
347.10745	1.1
349.12106	1.4
350.13474	1.3
363.10812	1.2
375.10663	2.3
375.17941	2.6
393.13867	11.8
393.18939	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	393.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05503	0.7
55.99965	0.5
56.96559	1.5
65.03938	2.2
67.05492	1.6
69.03410	1.3
69.07043	0.7
70.06590	2.8
71.04989	0.7
71.58934	0.8
72.08143	0.7
73.02914	26.8
74.06072	0.6
75.35682	0.5
81.03414	0.8
81.07106	0.6
83.08579	0.6
84.04516	0.6
84.08134	2.4
84.36388	0.4
85.02898	3.4
86.09707	1.1
91.03935	1.0
91.05478	4.4
93.03362	0.8
93.07043	1.2
95.04955	2.3
95.08586	0.6
97.02904	1.3
98.97583	1.5
105.07023	1.3
107.04969	1.6
108.02089	1.4
109.02936	1.1
109.24788	0.4
110.03664	3.7
111.04463	4.3
116.07083	1.9
116.98618	1.7
119.04955	3.8
120.08077	1.5
121.06479	0.6
125.05987	33.5
127.03941	0.9
128.98622	0.7
129.10176	0.7
131.04921	0.7
134.99623	0.7
137.05956	4.9
140.68158	0.5
141.05434	3.3
145.05017	0.8
146.99661	1.0
147.04408	2.3
149.05977	4.6
151.03902	100.0
151.04980	6.3
151.07422	4.3
152.04233	1.9
161.06001	1.6
163.03989	0.9
167.07208	0.5
177.00719	1.3
177.05475	1.2
179.07025	23.8
181.06419	0.6
197.08086	52.3
198.08411	1.1
203.05260	25.6
237.02803	1.7
250.10780	0.7
285.10904	0.7
393.10934	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
60.41210	0.5
63.08235	0.6
63.78699	0.5
67.05499	0.7
69.03413	1.0
69.65656	3.2
79.05487	0.9
81.03403	1.0
84.08178	0.6
85.02901	0.8
86.09708	0.6
93.07028	1.0
95.04970	0.7
98.63952	0.5
98.97564	0.7
105.07024	4.9
107.08569	0.6
110.10522	0.6
116.98614	0.7
119.01920	0.9
127.03883	1.1
127.11217	0.7
128.06212	0.6
133.10167	0.7
145.12201	1.8
161.02946	0.7
187.07568	0.6
203.03873	0.6
223.08183	0.8
225.43799	0.6
227.05249	0.9
243.08739	1.9
247.08040	0.6
271.04309	1.6
273.09790	0.7
307.11349	4.1
325.11133	1.1
331.11444	1.3
349.12558	34.6
350.12814	1.2
354.81998	0.6
378.15637	0.8
393.11517	100.0
394.11929	2.7
405.74411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	43.9
67.05507	3.1
70.46011	1.7
70.46364	5.5
71.08624	2.3
71.95248	4.0
74.97615	1.3
83.98022	1.4
84.96016	1.5
87.05961	1.4
114.53919	1.5
118.82307	1.5
128.98627	3.1
130.78374	1.5
135.33754	1.4
141.02278	1.6
146.99623	3.2
148.47415	1.6
149.02357	3.8
155.03798	2.1
165.00774	1.4
167.03783	2.3
171.03333	2.4
173.04881	2.0
185.04880	2.3
187.06424	1.8
189.04391	3.0
191.05814	1.5
195.06924	2.2
199.06367	7.0
201.04346	2.4
203.06010	3.4
211.06494	3.4
211.59918	1.4
213.08011	11.8
217.07497	13.9
219.09050	3.2
225.07968	2.8
229.07472	23.7
231.08989	21.3
235.39990	1.7
239.09517	3.1
241.00438	1.5
243.09081	13.0
247.08556	24.0
252.08986	3.2
253.10991	1.7
254.10661	1.8
255.08997	10.8
257.10504	2.9
261.10110	12.3
266.10663	2.0
270.10159	2.5
273.10138	9.5
323.19019	2.8
333.17310	24.4
351.18405	84.5
369.19482	100.0
370.19763	2.9
374.19867	10.3
387.20407	3.9
392.20798	16.0
406.61356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96872	0.8
56.96553	0.8
67.79670	0.8
69.16331	0.7
71.08604	0.7
77.00906	2.0
84.26404	0.7
88.03134	0.7
95.01911	1.7
95.06643	0.7
119.08558	1.0
141.03949	1.1
149.02324	2.0
159.04985	1.1
169.07091	1.9
187.08157	6.9
189.06050	0.8
191.07762	0.8
197.10258	1.5
203.09235	1.5
205.09225	3.0
211.08205	1.2
213.09747	2.5
215.09274	1.3
215.11288	2.3
221.10220	1.9
233.10199	2.5
239.11340	2.6
243.14415	1.7
251.11255	15.0
252.15556	0.7
257.12302	2.3
269.12341	100.0
270.12454	4.4
274.12891	1.2
292.13895	10.6
293.14056	1.0
333.19040	1.7
351.20178	4.0
369.21194	5.4
392.23346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31578	1.3
52.72012	1.1
55.64471	1.3
56.96566	54.8
57.07052	1.4
67.05477	1.8
70.06586	3.4
71.95258	4.3
74.97595	1.3
81.07085	1.9
84.96083	1.5
93.07024	1.3
94.08968	1.3
97.96848	1.4
98.97559	1.8
107.34707	1.5
114.93676	1.3
115.00689	1.6
116.98605	1.5
128.98563	3.4
131.55495	1.3
141.02232	1.4
146.99640	4.5
149.02322	2.6
155.03799	3.8
159.03328	1.4
161.04930	1.6
167.03845	2.1
169.01828	1.5
171.03279	2.9
173.04831	3.6
181.05307	1.7
183.06906	1.4
185.04872	3.8
185.08618	1.9
187.02646	1.4
189.04385	1.7
191.05913	2.1
195.06825	2.4
199.06419	13.0
201.08064	6.5
203.05949	6.7
205.07303	1.4
211.06392	10.1
213.07977	24.3
217.07480	26.8
219.08954	3.3
225.07997	3.1
229.07484	81.0
229.83188	1.8
230.07715	1.5
231.09033	42.9
235.08545	1.5
236.09575	2.8
239.09602	1.9
243.09007	12.4
245.10612	2.7
247.08542	86.2
252.09058	13.0
254.10629	3.9
255.09059	5.1
261.10114	11.1
266.10678	1.8
267.09097	5.0
269.10593	14.4
270.10159	6.7
273.10101	3.6
284.81598	1.5
285.10071	10.2
287.11661	4.8
292.12146	2.5
309.16885	1.4
330.32581	2.0
333.17358	10.1
351.18442	43.4
351.36050	1.4
352.18893	1.7
369.19479	100.0
370.19797	2.3
374.19879	3.2
387.20438	10.6
391.36252	3.3
392.20840	18.7
392.25070	3.9
392.31912	2.1
392.36285	10.4
393.21109	1.7
410.22134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52190	1.0
50.97309	1.0
56.96563	46.4
67.05498	2.1
68.48513	0.9
71.59423	1.7
71.95248	4.9
72.96046	1.5
74.97578	1.5
79.05489	1.2
79.91050	1.2
81.07008	1.2
84.96028	1.1
92.98633	1.7
98.76123	1.1
113.83043	1.4
128.98598	2.5
130.20036	1.0
137.02765	1.4
141.02158	1.1
146.99638	2.4
149.02309	1.4
155.03743	2.5
157.10190	1.2
165.00630	1.1
171.03273	2.5
173.04884	3.8
183.03258	1.3
185.04874	2.3
187.06335	2.1
189.04399	2.6
191.05818	1.1
195.07065	1.7
199.06427	13.3
201.04346	1.4
201.08037	5.7
203.05927	5.7
203.09485	1.4
211.06395	7.5
213.04712	1.4
213.07968	22.5
215.05884	1.4
217.07469	21.7
219.09041	5.7
225.08006	1.4
227.09370	1.2
229.07466	72.4
231.09038	44.2
235.08319	1.4
236.09514	3.2
240.08905	1.4
243.08987	10.3
245.10634	2.7
247.08528	74.5
248.08949	1.7
252.09068	9.0
254.10596	3.3
255.09120	1.3
259.12158	1.3
261.10086	13.7
266.10712	1.4
269.10654	1.4
270.10010	5.6
273.10016	1.4
309.17517	1.4
323.18951	2.6
333.17346	13.7
351.18405	48.9
352.18420	1.4
369.19473	100.0
370.19800	1.7
374.19980	3.5
387.20551	10.9
392.20901	16.8
392.25055	2.4
393.21368	1.3
410.22296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94246	1.7
69.03430	1.9
71.27314	2.6
71.27636	2.5
79.05496	3.9
85.02892	8.3
97.02899	3.0
98.21504	1.9
103.05442	5.2
105.07025	2.7
107.04285	3.6
107.04959	50.0
123.04403	4.9
135.08037	15.2
145.04909	2.1
163.07555	31.6
167.07050	100.0
180.07849	3.2
195.10185	27.6
196.10475	2.1
205.76286	2.0
213.11217	92.7
216.76256	2.2
275.94855	1.9
322.65659	2.0
337.28079	2.2
387.96710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.3
56.55579	1.4
69.03399	3.2
70.88113	4.2
79.05489	2.7
81.07065	1.6
85.02893	10.6
87.83444	1.3
97.02905	2.3
103.05462	5.9
107.04948	40.7
109.02840	1.5
115.05493	2.4
123.04520	1.7
131.04951	2.5
135.08047	14.4
149.68814	1.8
154.06198	2.0
157.07950	1.6
163.07530	41.0
167.07037	98.9
168.07451	3.1
180.08855	1.9
181.08704	2.0
195.10156	31.4
212.16437	6.6
213.11209	100.0
214.11586	3.9
230.17288	1.5
250.58340	1.3
337.31689	1.8
372.00568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
53.53350	0.7
55.05494	1.8
56.96558	1.0
57.07059	2.1
65.03920	0.7
65.76205	0.5
67.05505	2.9
69.03392	0.6
69.07063	3.9
71.08631	1.2
71.59988	0.7
74.62307	0.6
79.05481	2.0
79.53563	0.6
81.07055	4.9
83.08607	1.0
84.93420	0.6
91.05457	2.9
93.07052	4.3
95.04924	0.9
95.08607	8.1
97.10116	1.0
102.91594	0.6
105.07029	4.7
107.04916	0.7
107.08583	5.6
109.10148	4.1
116.06242	1.0
117.06989	1.6
119.08572	4.8
121.10146	3.3
123.11707	2.1
124.58364	0.6
128.06238	0.7
129.06982	1.4
130.07805	1.8
131.08563	27.4
133.10123	4.6
135.11713	3.1
137.13257	1.4
143.08536	3.0
143.49292	0.6
145.10115	27.2
146.10512	0.8
147.11661	1.8
149.02348	9.1
149.13263	1.9
155.08514	0.8
157.10120	5.9
158.10811	1.3
159.11687	30.4
160.11954	0.8
161.13219	1.9
163.14798	2.0
169.10066	1.1
171.11668	2.3
172.12459	4.0
173.13271	7.9
175.14758	0.9
175.20888	0.6
183.11736	1.4
185.13188	1.0
186.81819	0.6
187.14816	44.5
188.15173	1.1
189.16362	1.9
191.17935	6.3
197.13094	1.0
199.14720	1.4
201.16374	100.0
202.16788	4.5
203.17987	1.3
211.14963	0.9
213.16376	1.2
215.17911	0.6
217.19514	2.7
225.16589	1.4
227.17976	1.0
229.19423	1.1
239.17957	1.6
253.19455	2.4
292.20013	0.9
295.24231	1.1
321.25647	0.9
326.66147	0.8
391.28751	0.9
391.33566	16.0
392.33932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.9
55.05512	11.4
56.97306	2.1
57.07066	4.3
59.05018	2.6
67.05506	18.2
69.03446	2.4
69.07086	8.0
69.78113	3.2
69.78526	9.6
70.06612	1.9
73.40932	1.9
79.05506	18.4
80.18271	1.8
81.03427	2.9
81.07058	28.4
83.04987	5.4
83.08637	4.5
85.06557	3.2
91.05480	31.6
93.07047	32.5
95.04966	34.3
95.05542	2.5
95.08604	18.3
97.06547	3.8
98.20704	2.0
101.37604	1.9
103.05463	2.7
105.07026	56.7
107.04977	4.4
107.08589	18.9
109.06547	9.4
109.10187	7.3
111.04484	2.3
115.05507	3.4
117.07039	12.4
119.08581	44.0
121.06538	7.8
121.10136	21.9
123.08111	4.8
126.18196	2.3
128.06305	7.4
129.07062	11.1
130.07822	7.2
131.08549	19.3
133.10117	17.6
135.08087	4.9
135.11734	3.9
141.07039	8.8
142.07756	16.2
143.08542	30.8
144.09377	4.8
145.06560	2.9
145.10112	37.1
145.11102	2.4
147.08098	6.5
147.11734	9.5
149.02357	15.9
149.09660	4.0
149.13150	2.0
153.07025	3.1
154.07841	2.1
155.08595	12.7
156.09381	11.4
157.10126	30.5
158.10875	3.6
159.08089	4.8
159.11671	14.4
161.09718	6.4
163.11290	2.6
165.07053	5.7
166.07823	4.2
167.08545	12.6
168.09415	5.4
169.10117	25.2
170.10948	4.2
171.08063	3.7
171.11650	20.5
173.09772	5.3
173.13252	12.3
178.07895	2.1
179.08522	9.6
180.09349	5.9
181.10127	14.7
182.10988	7.5
183.11691	14.9
184.08867	2.5
185.09720	3.6
185.13345	4.8
187.11255	4.7
187.14868	3.7
189.12686	2.3
191.14381	3.7
192.09450	5.7
193.10127	15.4
194.09351	2.2
194.11008	8.4
195.11690	14.5
196.12549	4.1
197.13277	15.2
198.14038	3.1
199.11238	5.4
199.14922	5.8
201.12712	4.1
203.08470	2.1
204.09299	2.2
205.10242	5.2
206.11009	8.6
207.11696	15.4
208.12573	7.8
209.09830	3.0
209.13266	15.4
211.11209	2.1
211.14937	7.3
213.12779	5.1
215.14458	4.0
217.10301	2.7
218.11113	3.0
219.11870	6.1
220.12505	3.9
221.13272	11.6
223.14977	7.1
225.12723	3.1
225.16466	4.9
227.14342	8.3
230.11263	2.6
231.11746	4.6
232.12567	4.3
233.13344	7.6
233.15431	4.0
234.14107	6.7
235.14960	8.7
235.49826	2.3
237.12866	4.2
237.16510	5.4
241.16096	2.4
243.11882	2.6
244.12531	2.7
245.13391	3.9
247.15034	7.4
248.15710	2.9
249.16405	12.0
251.18124	3.3
259.14951	5.0
261.13153	2.4
261.16443	5.4
263.14560	3.2
263.18069	8.1
264.18765	2.9
265.19437	3.7
267.17523	4.4
269.19089	3.3
273.16434	4.6
275.18134	5.7
277.19617	4.4
279.17734	3.8
281.19202	5.6
282.20029	7.3
289.19745	4.6
293.18951	3.5
295.20709	4.0
297.18646	6.5
299.17770	2.7
305.19473	2.8
307.20963	3.3
317.19098	3.6
335.20212	7.0
349.39749	2.6
355.24265	2.4
363.27060	2.7
373.25336	16.3
391.26120	100.0
391.36346	3.5
392.26590	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73129	1.2
55.05499	3.1
57.07071	2.9
58.98566	1.5
67.05489	3.3
69.07066	1.7
70.06592	3.4
70.38970	5.1
71.04977	1.6
72.64994	1.2
75.64485	1.1
79.05477	2.7
81.07025	4.8
91.05464	3.3
93.07037	4.7
95.04965	3.1
95.08583	4.4
97.06510	2.5
105.07011	4.6
107.08559	2.6
109.10123	2.1
112.78871	1.5
119.08567	4.0
121.06486	1.4
121.10139	1.9
125.33192	1.1
131.08507	1.7
133.10107	1.6
143.08560	2.1
145.10104	2.4
146.11755	1.5
149.02335	16.8
155.08598	1.7
167.51956	1.3
169.10162	1.4
177.12758	1.2
183.11690	1.5
195.13789	5.6
197.13446	1.4
285.29993	2.1
329.32385	3.0
391.24506	100.0
391.35760	18.3
392.24890	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45398	0.7
54.87709	0.6
55.05516	1.6
56.96556	2.6
57.07062	1.5
67.05503	3.9
69.07062	1.7
70.02290	3.5
74.64865	0.6
79.05499	4.4
81.07054	6.4
91.05466	2.8
93.07037	5.8
95.04964	2.0
95.08591	4.4
97.06517	1.2
98.21397	1.2
105.06992	3.4
107.08582	2.9
109.10107	1.0
117.07042	0.8
119.08557	2.5
121.10126	2.0
129.06990	1.0
130.63124	0.6
131.08574	1.9
132.10205	1.5
133.10162	2.0
135.08073	1.5
135.11661	2.1
142.07832	0.9
143.08531	1.0
145.10138	1.6
147.25142	0.7
149.02342	9.3
149.09561	0.7
149.13260	1.0
157.10139	1.8
159.11681	2.7
161.13252	1.3
167.03372	0.9
169.10153	0.9
171.11694	1.1
177.12775	1.9
179.14188	0.8
183.11732	0.8
185.13181	0.9
195.11610	0.7
195.13867	1.0
197.13165	0.8
199.14789	0.9
248.88730	0.8
259.09476	0.9
259.12219	1.0
321.16629	1.6
331.15778	0.9
333.17480	1.6
335.20590	0.8
350.17404	1.2
351.18457	3.1
368.18121	0.9
369.19675	3.7
391.24530	100.0
392.24908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.0
57.03458	1.2
57.07077	2.8
60.62427	1.5
67.05499	2.0
70.33800	3.1
70.34191	2.6
71.04298	1.3
73.70483	1.2
79.05476	2.0
81.07063	5.8
91.05479	2.5
93.07053	4.2
95.08599	2.2
97.06516	2.2
98.97558	1.9
105.07014	2.2
107.08578	3.3
119.08601	2.3
121.10143	2.5
126.84438	1.3
128.93452	1.3
129.06921	1.5
131.08539	1.4
133.10130	2.2
143.08537	2.1
149.02357	15.9
157.10066	1.5
159.11687	1.5
169.10213	1.7
171.11681	1.6
259.09943	1.4
357.94016	1.3
362.07727	1.4
391.24570	100.0
391.35901	4.3
392.24539	1.7
411.53696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01871	8.5
55.05511	17.7
56.96558	7.1
57.03451	6.2
57.07071	14.5
57.31911	5.4
67.05504	34.2
69.07066	36.2
71.08639	7.3
71.60300	8.7
79.05498	50.7
81.07056	79.0
83.04982	7.3
83.08612	16.8
85.02890	6.6
85.06544	9.4
91.05479	60.8
93.07043	77.5
95.04962	81.8
95.08601	40.4
97.02867	6.4
97.06544	17.7
98.71620	5.3
98.98471	14.7
102.01846	5.1
105.07040	85.4
105.28988	5.2
107.08594	55.5
109.06526	9.0
109.10150	22.7
115.05547	7.5
117.07018	16.9
119.08578	64.6
121.06492	13.5
121.10143	43.0
123.11716	9.7
126.59454	5.0
128.06250	13.6
129.06985	22.2
131.08549	40.3
133.10139	37.7
135.08052	6.8
135.11703	20.1
141.06946	7.2
142.07780	24.3
143.08557	39.4
144.09355	9.3
145.10126	57.0
147.08011	8.1
147.11691	19.2
149.02353	44.6
149.13200	6.9
154.07771	7.7
155.01050	18.0
155.08548	22.9
156.09325	25.1
157.10138	57.1
159.08051	6.7
159.11642	39.5
161.09593	15.0
161.13350	11.7
163.11156	5.9
165.06998	13.7
167.08606	12.6
168.09383	8.0
169.10078	38.7
170.10881	13.8
171.11739	33.2
173.09694	5.7
173.13281	19.3
175.11267	6.6
179.08595	13.4
180.09297	8.3
181.10124	23.5
182.10852	13.4
183.11719	39.6
185.09773	8.9
185.13324	32.2
187.11301	6.6
187.14893	19.5
193.10144	20.8
194.10902	12.3
195.11678	42.4
196.12466	15.2
197.13237	36.9
199.11227	9.3
199.14809	8.9
201.12807	6.4
203.14316	8.9
205.10062	7.6
205.15857	7.1
206.10965	9.9
207.11719	35.2
208.12471	19.1
209.13237	30.3
210.14000	7.7
211.14885	18.3
213.12767	16.2
213.16422	8.7
213.21068	5.6
219.11646	20.2
221.13260	23.1
222.14008	9.9
223.14803	21.9
225.16393	10.6
231.11665	10.8
232.12485	7.1
233.13286	13.3
234.14021	11.4
235.14857	25.0
237.16412	14.8
239.18005	6.2
243.11780	7.6
245.13269	12.3
247.14798	15.0
249.16399	26.3
250.16881	6.4
251.17853	16.3
259.14847	7.6
261.16461	13.8
262.17114	6.9
263.17792	6.4
264.18744	7.7
265.19235	6.8
267.17386	17.2
269.19006	9.9
273.16370	11.4
275.17999	8.3
277.19565	11.3
279.17242	7.3
282.19711	13.7
289.19373	8.5
299.17673	6.5
299.23679	6.7
303.20920	6.2
307.20712	6.3
315.21133	8.3
358.54938	5.6
367.50192	5.9
373.25107	26.9
391.26099	100.0
391.33899	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
55.05495	1.3
57.07058	1.0
63.59273	0.3
67.05225	0.4
67.05507	4.0
69.07058	1.2
69.29117	3.9
70.06583	0.5
71.04960	0.5
71.08644	0.5
76.94667	0.3
79.05488	3.4
81.07054	6.6
83.04956	0.9
83.08598	0.8
85.06528	0.5
88.07596	0.4
91.05478	2.3
93.07039	4.7
95.04964	1.0
95.08610	4.3
97.06536	2.1
99.08105	0.4
105.07030	2.4
107.08582	2.1
107.19762	0.4
109.10150	1.2
117.07024	1.0
119.08593	2.0
121.10128	1.1
123.08057	0.5
123.11674	0.5
131.08572	0.9
133.10120	1.5
135.11650	1.8
143.08614	0.6
145.10130	0.8
147.11702	0.5
149.02336	3.3
149.13232	1.2
151.84186	0.4
159.11685	1.4
161.13239	1.5
167.03378	0.4
169.10214	0.5
171.11684	0.4
177.12761	1.9
179.14311	1.0
185.13217	0.4
195.12096	0.7
195.13744	3.3
211.14728	0.4
214.15775	0.4
317.21143	0.5
329.32254	0.9
355.26251	0.7
373.27258	1.1
391.24518	100.0
391.35141	2.8
392.24957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.07918	0.2
56.96562	0.6
57.07054	0.5
67.05504	0.9
69.07042	0.4
69.45122	2.0
71.08620	0.2
79.05479	0.4
81.07040	0.9
84.15574	0.2
89.02351	0.2
89.03068	0.2
91.05508	0.4
91.55267	0.2
91.92230	0.2
93.07018	0.3
95.08587	0.7
105.42200	0.2
107.08585	0.7
109.10153	0.6
111.99614	0.2
119.08574	0.6
121.10152	0.3
143.08640	0.3
145.10095	0.5
149.02315	2.1
149.13292	0.2
157.10214	0.4
159.11671	0.5
167.03401	0.3
171.11690	0.2
172.95270	0.5
190.96315	0.3
194.94600	0.2
201.16394	0.2
319.23285	0.2
331.13043	0.5
350.17480	0.2
354.47043	0.3
368.18240	0.4
391.24527	100.0
392.24823	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	391.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.2
55.05508	35.8
56.96563	4.4
57.03429	7.3
57.07069	14.6
61.02898	3.4
67.05503	27.9
69.07066	37.4
70.07983	13.6
71.08620	7.0
77.82111	2.5
79.05481	17.8
79.92683	2.5
81.07053	34.5
83.08618	31.9
85.02875	4.7
91.05464	5.1
93.07039	20.4
95.04974	4.0
95.08609	24.9
97.02914	3.1
97.06534	7.4
97.10183	18.7
98.21439	3.0
98.98462	87.6
105.07016	7.9
107.08588	16.4
109.10151	8.5
111.08080	5.3
111.11675	6.9
116.99496	4.2
119.08581	3.4
121.02827	2.7
121.10168	22.2
123.11700	9.1
125.13219	3.8
128.26952	2.4
133.10135	3.7
135.11711	17.0
137.13193	3.6
145.10030	4.2
149.02301	26.5
149.13300	7.6
155.01031	100.0
167.03546	2.8
169.10037	3.4
171.11507	3.4
183.11668	3.1
194.11005	3.6
219.20992	12.3
237.22130	25.6
259.08539	3.3
265.13159	2.6
285.10074	4.1
301.84702	2.8
359.92609	2.7
391.26080	4.8
393.18387	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65268	0.4
56.96571	2.0
57.07072	0.3
60.29207	0.3
65.60714	0.3
67.05502	0.7
69.07064	0.4
70.11919	0.3
71.08620	0.9
71.60147	0.5
71.60543	0.4
74.78223	0.3
78.04784	0.3
79.05452	0.8
81.07056	0.7
81.91299	0.3
91.05462	0.5
93.07037	0.6
95.08595	0.7
105.07047	0.4
109.10197	0.5
119.08617	0.4
121.10140	0.4
121.54230	0.4
133.10150	0.4
145.10080	0.4
147.04387	0.4
149.02332	4.3
167.03465	0.4
178.96165	0.4
217.07433	0.7
229.07468	0.6
255.09012	0.6
258.86319	0.3
267.09149	0.6
269.10593	1.3
273.10086	0.5
285.10095	1.4
287.11688	0.4
321.16806	1.5
333.17447	0.4
343.07767	0.3
351.18460	1.5
369.19531	3.3
391.24527	100.0
392.24921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00996	1.8
52.62513	1.7
53.76705	1.8
55.01877	2.1
55.05497	3.8
56.96571	3.0
57.07056	2.6
67.05492	2.7
69.03419	4.0
69.07080	2.4
70.06583	9.8
70.43122	8.2
71.04987	3.8
71.08632	4.3
72.08157	4.4
79.05486	4.1
81.03413	4.9
81.07057	2.3
81.71275	2.2
83.04939	2.3
84.04487	3.5
84.08159	3.7
85.02897	7.9
85.06541	3.3
86.09711	10.7
87.90630	1.9
91.05493	13.3
93.07044	3.3
95.04964	6.5
95.08595	5.3
97.02827	2.3
97.06505	2.8
97.10186	2.3
97.12528	2.1
98.97558	3.3
105.07043	7.3
106.02887	2.6
107.04941	8.7
107.08642	2.4
108.04428	3.3
109.02884	2.9
109.06482	2.1
116.14701	2.0
117.07076	2.8
118.04105	2.1
119.04940	2.7
119.08617	3.5
120.08104	4.5
121.06495	5.8
123.04462	6.0
124.04015	3.4
124.62492	2.6
127.03951	3.6
128.06224	2.5
129.07014	5.3
129.10248	3.1
130.06551	3.6
131.04916	3.6
131.08588	4.1
133.10078	2.5
134.99603	2.5
135.08073	2.0
137.05991	5.3
138.03142	1.8
143.07033	3.5
146.06068	2.1
146.07260	4.3
147.04430	2.9
147.08133	2.3
148.05234	4.0
149.02336	28.5
149.05974	2.7
151.03908	3.8
151.07513	3.1
157.06468	2.4
158.05992	2.3
161.05981	100.0
161.09602	23.1
162.06339	2.2
163.07550	4.6
167.03419	4.2
167.07047	19.7
167.13400	2.1
168.06619	3.1
172.07608	1.9
174.06815	4.8
175.07587	6.5
181.08691	8.3
189.09111	54.4
207.10168	49.0
250.69675	2.0
271.78339	2.3
299.10272	32.2
300.10373	2.0
315.12256	3.1
317.11340	6.0
331.12817	36.0
331.16214	2.8
338.58105	2.1
343.15347	3.1
359.12683	3.2
361.16342	4.3
373.14249	4.5
391.11835	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.139
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
50.55526	0.7
51.69740	0.7
53.03942	0.8
55.01870	1.4
55.05514	0.8
56.05033	1.2
56.96570	1.3
57.03406	1.0
61.02927	2.7
65.03934	1.6
69.03432	2.4
70.06589	9.2
70.10560	1.3
70.10957	2.5
71.04985	1.3
71.08639	2.0
72.08162	2.1
73.02901	0.7
79.05494	2.6
81.03439	1.9
81.07069	1.9
83.06094	1.3
84.04500	2.9
84.07465	0.7
84.08139	3.2
85.02906	3.4
86.09700	8.9
91.05479	8.2
93.07029	1.2
94.04199	2.0
95.04967	1.6
96.04508	1.0
97.02917	1.7
98.97591	1.0
102.05560	1.4
103.05449	1.8
105.07030	1.9
107.04958	6.2
107.08614	1.4
109.02908	1.9
109.06530	3.8
110.07182	1.3
111.04449	1.0
116.07137	1.0
116.98647	1.4
119.04946	6.0
120.08125	2.0
121.02863	1.2
121.06508	8.2
122.03648	4.1
123.04458	0.8
125.06021	3.3
125.09652	4.0
129.10262	2.6
130.05000	1.0
131.04955	4.1
134.03629	4.8
135.04422	2.9
135.08063	1.9
136.07584	1.6
137.05978	100.0
138.06358	2.4
143.10695	2.9
146.03635	1.0
147.04401	8.8
149.01180	0.8
149.02347	16.0
149.05986	28.5
150.06747	1.6
151.03897	2.0
151.07542	4.9
152.06216	1.7
153.05591	1.5
153.07008	4.1
159.04364	1.5
161.05971	7.1
162.06741	1.1
163.03932	2.4
163.07552	3.6
165.05490	2.9
165.06934	1.8
167.03400	2.2
167.07072	4.1
168.05713	0.9
175.03886	1.5
175.05327	0.8
177.05505	2.8
179.07028	9.4
180.05699	2.2
180.07661	0.9
181.06480	6.6
182.07190	0.8
183.08078	1.0
183.79057	0.7
188.07060	1.2
189.05461	1.6
191.06981	5.0
193.04965	12.6
193.06480	1.2
194.07320	1.1
194.46159	0.8
195.08063	1.5
196.05267	1.7
197.05966	1.4
198.06746	1.9
201.05507	3.7
205.06511	1.2
207.06517	3.8
207.08212	1.3
208.05098	2.6
209.05943	1.6
210.06757	1.4
211.07584	4.6
213.09122	4.8
213.11275	2.4
219.06531	3.0
221.06129	1.9
222.06686	1.4
223.07520	1.6
225.05537	2.4
225.09184	1.4
236.04677	1.1
237.02927	1.4
237.07611	2.6
238.06281	0.9
239.07011	2.1
240.07776	3.1
241.08643	5.5
244.06694	0.9
250.06129	1.9
251.06998	1.7
253.05049	0.8
253.08662	3.3
255.09985	1.2
265.08615	1.5
268.07315	1.2
269.08154	1.4
270.08820	1.4
273.11227	19.2
283.09760	1.7
285.07956	1.7
285.11282	5.4
293.08005	1.0
295.09448	0.9
296.07080	1.0
299.09140	6.5
303.12344	1.1
304.47574	0.8
311.09052	3.8
315.08636	3.0
315.12082	1.2
323.09735	1.1
323.64642	1.0
325.10574	4.2
329.10202	11.1
330.10617	1.0
343.11801	4.0
355.11740	1.4
361.13095	1.1
373.12793	3.7
391.13855	10.5
392.13840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.9
56.96565	65.4
61.89749	2.3
63.00353	2.4
67.05489	3.8
69.07075	2.2
69.40532	22.8
69.54764	2.0
71.95261	5.0
74.97629	3.8
76.57037	1.9
77.28622	2.0
81.07036	4.4
85.50618	2.5
91.05474	3.1
98.21550	5.1
105.07072	2.5
110.97552	3.4
121.10062	2.5
137.02718	2.2
139.59836	2.3
141.02271	2.1
146.99640	4.6
155.03859	2.8
159.03342	4.6
163.64246	2.2
171.03268	6.6
183.56511	2.5
185.04857	7.9
189.04355	9.1
193.12282	2.6
195.06822	2.9
199.06429	10.7
203.05804	11.5
211.06389	5.1
213.07932	14.5
217.07463	16.8
225.08012	4.9
227.09657	3.8
229.07518	8.2
231.06926	3.6
231.08997	22.3
239.09579	6.4
243.09023	8.2
245.10622	4.1
249.07990	6.2
251.09392	12.9
255.09035	29.6
257.10617	6.2
267.09052	33.5
269.10577	100.0
273.10077	17.4
278.10574	4.9
285.10098	53.5
287.11655	58.7
290.10788	2.7
292.12097	14.0
296.11792	3.1
303.11163	5.4
308.11575	4.3
310.13211	3.9
331.15833	9.4
349.16849	29.1
367.07489	2.8
367.17935	51.8
372.18454	4.7
385.18915	8.4
390.19482	8.6
390.32538	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79877	2.6
54.45086	2.7
55.05491	3.7
56.23002	2.6
56.96325	3.6
56.96565	42.3
60.40626	2.8
67.05495	5.8
69.07063	3.4
71.60772	4.0
72.70354	2.9
79.05479	9.6
81.03410	5.8
81.07043	8.7
91.05472	3.5
93.07065	4.3
97.06510	5.2
105.07042	4.9
107.08614	4.4
116.98606	3.0
119.08539	4.2
123.04544	2.8
128.98589	3.3
133.10141	4.9
145.10178	3.2
146.99648	9.0
149.02304	3.9
169.01605	2.9
171.03348	3.9
185.04921	4.3
189.04390	7.8
193.12195	8.0
194.12552	8.3
199.06416	5.7
203.05893	6.1
211.06407	5.4
213.08011	3.2
217.07469	6.3
225.07961	4.4
231.08908	6.8
243.09053	5.1
245.10396	3.6
255.09061	8.3
257.10605	2.9
259.09500	5.7
261.10104	3.1
267.09030	5.2
269.10339	19.3
273.10049	8.5
285.10110	8.6
287.11499	6.6
291.12698	8.4
295.12085	7.8
309.13635	8.5
319.70319	3.0
327.14749	4.6
331.15747	27.0
349.16864	100.0
350.17114	3.2
367.17923	58.9
372.18448	13.4
372.25674	3.4
390.19501	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	390.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79878	2.0
56.06275	2.3
56.96566	90.5
64.07983	1.8
69.07096	1.7
71.59821	3.5
71.95261	7.6
72.96059	2.6
81.07050	4.5
84.96033	4.6
91.05486	2.7
94.04179	2.0
95.08631	2.4
99.04550	1.9
122.03632	3.5
122.85700	1.8
128.98599	8.0
133.01712	3.4
137.05984	39.3
138.06297	3.1
139.48396	1.8
141.02232	2.6
145.01721	2.0
146.99617	10.4
155.03795	6.2
157.01736	4.1
159.03355	2.7
161.01250	2.4
165.00635	2.0
169.01736	4.2
171.03291	11.1
173.04898	3.0
175.02766	2.9
181.05344	3.0
183.03210	5.5
185.04822	12.3
187.02771	3.3
189.04364	11.7
193.01990	2.2
193.03833	2.4
195.06943	3.7
197.04855	4.7
199.06412	15.8
201.04282	4.4
203.05881	18.9
203.07353	1.8
211.06416	8.0
213.07967	12.3
217.05534	3.6
217.07466	28.3
221.04997	2.6
225.07956	10.0
227.09532	5.4
229.07487	8.1
231.09021	15.5
237.08049	5.4
239.02187	4.5
239.05798	13.3
239.09555	8.4
241.11093	3.4
243.09010	9.6
244.12233	2.0
245.10648	8.6
249.08083	6.3
251.09460	12.4
253.07697	2.2
255.09070	38.4
255.11758	1.4
257.10602	9.4
259.12283	2.8
263.09387	2.9
267.09033	54.3
269.10583	75.2
273.10065	28.2
278.10681	3.9
279.09125	3.0
279.12225	1.9
281.10519	3.4
285.10101	84.8
287.11664	39.6
290.10587	5.8
291.12701	6.9
292.12018	10.7
295.12115	3.0
303.10962	10.0
307.15793	2.3
308.11765	9.8
309.13708	10.6
310.13431	2.5
313.13480	2.0
325.13300	2.7
331.15860	17.8
349.16846	63.5
367.17935	100.0
372.18439	5.8
385.19226	10.5
390.15875	2.6
390.19681	21.0
408.20645	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
56.96564	3.4
57.59375	2.1
65.37939	2.0
69.03413	3.9
70.06580	4.6
71.17168	6.6
72.08152	4.7
79.05508	3.7
84.04472	3.7
84.08146	2.9
85.02896	10.7
86.09701	7.3
87.04454	3.1
91.05470	10.2
94.44460	2.3
95.04969	3.1
95.58953	2.3
97.02881	6.6
98.97522	2.6
103.05449	6.2
105.07040	43.5
107.04958	4.7
115.05449	8.4
119.04938	7.1
121.06495	6.0
125.05975	3.8
127.03893	2.6
133.06502	40.7
134.03601	3.5
137.05997	22.9
145.04991	2.5
147.04378	3.1
149.05957	10.1
151.07558	4.5
161.05983	100.0
162.06387	3.5
163.12781	2.3
166.29462	2.2
177.05467	2.9
179.06949	3.8
193.08604	61.0
211.09654	15.1
241.08334	2.8
262.03525	2.6
373.96530	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54932	0.7
52.47939	0.7
53.03935	1.6
54.49594	0.8
55.01873	1.7
55.05506	1.6
56.05022	1.6
56.96561	1.3
57.03421	0.9
59.58584	0.7
64.56316	0.8
69.03400	4.0
69.07047	1.3
70.06590	7.1
70.95766	2.5
71.04987	0.8
72.08150	5.0
73.02893	1.0
74.06049	0.8
79.05481	3.1
81.03404	4.1
81.07030	1.6
82.29059	0.8
84.04495	3.8
84.08139	4.6
85.02904	14.0
85.06548	9.3
86.09205	1.1
86.09703	11.8
87.00813	3.7
87.10039	2.0
88.03969	1.5
91.05461	2.4
93.07012	1.5
95.04942	1.2
97.02900	7.2
97.06584	0.9
98.97588	1.3
99.04427	1.3
100.23563	0.9
103.03894	0.9
105.01870	4.8
105.07010	1.1
107.04947	7.9
107.08576	1.0
109.02861	4.8
110.03636	3.2
116.01673	2.1
118.50585	1.1
119.08562	1.0
120.08074	3.0
121.06475	1.3
122.02673	1.2
125.05989	100.0
126.06329	2.4
126.27502	0.8
127.03915	11.7
129.10249	1.6
130.05016	1.0
135.04366	0.9
136.07535	1.5
137.05952	3.1
138.69102	0.8
145.04962	6.9
145.10075	1.2
147.02869	1.0
147.04413	1.9
149.05971	8.4
151.03938	1.7
155.08083	0.8
159.02875	2.9
161.05959	1.0
162.02171	2.3
167.07001	5.8
189.03931	1.4
189.12772	1.3
191.07036	2.8
201.12392	0.9
215.07013	1.1
231.04811	1.9
233.08098	2.0
233.11600	1.2
311.05774	0.8
369.21368	1.3
390.15390	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
55.01860	6.0
55.05537	4.0
56.96561	5.1
57.03423	10.1
60.04521	14.9
61.02915	4.7
66.92371	2.4
68.99776	5.9
69.03429	44.7
69.07068	81.7
70.06580	14.6
70.42271	11.2
71.04985	9.9
71.08625	15.5
72.08153	7.4
73.02909	4.2
79.05489	4.3
81.03413	48.6
81.07076	3.7
83.08614	8.8
84.04497	10.7
84.08151	4.2
85.02901	93.3
85.06558	2.6
86.02429	11.7
86.09695	13.9
87.00817	27.1
89.06043	3.1
91.05461	3.2
96.04473	4.8
96.08174	4.3
97.02891	29.2
97.06527	23.7
98.06056	5.3
99.04446	18.4
103.03946	7.9
105.01849	18.4
107.04955	12.7
109.02871	56.6
110.02377	3.6
114.09166	12.7
116.98643	3.4
120.08082	3.6
124.03955	3.3
124.07532	3.8
126.05521	4.8
126.09161	8.9
127.03912	79.0
127.66443	2.5
129.01868	6.2
129.10193	3.7
135.08075	3.1
138.09138	6.4
142.08626	49.2
145.04944	10.4
154.08681	8.1
156.10242	5.1
159.02910	7.5
161.40222	3.3
171.01503	3.2
171.02924	4.6
172.09691	20.6
180.10280	3.8
182.08174	3.7
184.09679	100.0
189.03900	18.9
194.11765	6.3
208.09714	28.8
222.11320	6.0
227.89514	2.8
231.05032	11.9
238.10545	3.4
250.10742	58.0
268.11957	3.4
336.10767	4.1
354.11932	3.9
372.12585	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	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71315	0.7
53.99992	0.7
56.96543	1.2
62.36531	0.7
67.05494	2.1
69.07038	1.3
79.05463	2.2
81.07045	2.7
91.05490	1.8
93.07037	2.1
95.08616	2.9
105.07041	1.5
107.08580	0.9
119.08560	1.1
121.10124	1.2
131.08560	0.8
135.11717	1.1
255.77458	0.8
349.16898	1.7
367.18085	1.0
389.22977	100.0
390.23389	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54258	0.4
56.96558	1.7
67.05498	1.0
69.50101	0.4
69.93879	1.7
79.05489	0.8
81.07028	1.1
93.07063	0.6
95.08596	0.7
98.21533	0.4
102.03560	0.4
109.10171	0.4
119.08582	0.5
129.69188	0.4
151.98306	0.4
165.07535	0.4
182.48306	0.4
231.09105	0.8
333.18912	0.8
347.15588	0.4
349.16907	2.3
350.28760	0.4
355.37338	0.4
367.14127	0.6
367.18048	3.1
385.14886	0.4
389.22974	100.0
390.18954	0.5
390.23361	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	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71315	0.7
53.99992	0.7
56.96543	1.2
62.36531	0.7
67.05494	2.1
69.07038	1.3
79.05463	2.2
81.07045	2.7
91.05490	1.8
93.07037	2.1
95.08616	2.9
105.07041	1.5
107.08580	0.9
119.08560	1.1
121.10124	1.2
131.08560	0.8
135.11717	1.1
255.77458	0.8
349.16898	1.7
367.18085	1.0
389.22977	100.0
390.23389	2.8
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
53.03942	1.0
55.01855	3.0
55.05508	6.8
56.96547	2.8
57.03425	3.0
60.05641	1.9
61.02910	2.1
67.05486	4.8
69.03429	6.6
69.07068	6.5
70.06590	2.7
70.84946	2.3
70.85276	1.5
71.04715	0.9
71.04994	10.8
72.08152	11.8
73.02911	1.5
73.62186	1.0
79.05487	9.1
81.03394	4.8
81.07046	8.7
83.04957	3.7
83.08598	2.1
85.02900	14.9
85.06538	3.5
86.09682	4.5
89.10751	1.6
91.05474	7.5
91.87666	1.1
93.07059	7.5
95.04965	4.3
95.08592	3.7
97.02885	7.7
97.06530	26.7
97.07634	3.0
98.06041	4.6
98.97581	3.6
99.04453	30.6
99.08107	1.4
105.07014	7.2
107.04935	5.3
107.08586	13.0
109.02862	2.2
109.06487	3.3
109.10146	3.4
111.08068	1.8
113.09665	1.8
114.10282	14.2
115.05432	1.4
115.08707	3.0
116.98598	2.4
117.07037	1.8
119.01932	1.2
119.08561	3.5
120.08104	1.5
121.06482	1.8
121.10137	7.4
123.04408	1.3
123.08074	7.5
123.11672	4.2
125.09614	2.2
127.03909	4.3
128.06200	1.1
129.06992	1.1
131.04909	1.7
131.08563	2.5
131.12924	1.4
133.06581	1.4
133.09206	1.1
133.10115	7.3
135.04372	3.3
135.08092	1.3
135.11659	2.6
137.09622	2.1
142.12303	2.2
143.08533	2.0
145.04944	1.5
145.06441	1.6
145.10091	2.6
147.04340	1.7
147.07986	1.8
147.11697	2.8
149.06064	1.4
149.09616	32.0
149.13235	2.7
151.07486	1.7
151.11169	1.5
153.09109	1.5
153.12656	1.3
157.10915	1.8
159.07990	1.2
160.05209	2.5
161.02602	0.9
161.05991	8.1
162.02182	2.2
163.02536	2.2
163.03894	35.3
163.11174	5.0
164.04462	1.2
164.07056	1.9
165.12758	1.9
166.04951	1.4
167.07100	1.6
167.08562	2.4
167.10629	3.2
169.08607	4.1
169.10037	1.5
169.12265	3.9
173.06020	3.2
173.09564	1.0
173.13168	3.0
175.03841	2.4
175.07549	9.3
177.05453	2.3
177.09216	1.3
181.09967	1.1
183.13794	10.9
185.05898	1.2
187.07474	2.5
189.01888	1.3
189.05489	1.6
189.09116	8.5
191.07104	1.6
191.10612	2.6
191.14272	5.4
193.12242	1.2
195.08060	3.7
199.11052	1.1
201.09148	1.6
207.02843	1.8
207.06589	3.5
209.11777	1.8
209.15349	8.5
213.09068	4.2
215.07088	6.4
217.08591	1.5
219.01819	1.1
219.10196	5.3
219.40591	1.0
223.07407	1.3
227.12796	2.7
227.16399	32.0
231.10204	3.4
237.02760	2.4
241.08597	2.8
259.09735	7.2
265.09454	1.7
278.12195	1.1
312.16013	1.5
329.18710	1.3
330.16992	2.5
339.09589	2.3
347.19376	1.7
354.17987	1.2
371.20636	1.5
372.19168	2.7
389.21774	100.0
390.22116	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	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03942	1.0
55.01855	3.0
55.05508	6.8
56.96547	2.8
57.03425	3.0
60.05641	1.9
61.02910	2.1
67.05486	4.8
69.03429	6.6
69.07068	6.5
70.06590	2.7
70.84946	2.3
70.85276	1.5
71.04715	0.9
71.04994	10.8
72.08152	11.8
73.02911	1.5
73.62186	1.0
79.05487	9.1
81.03394	4.8
81.07046	8.7
83.04957	3.7
83.08598	2.1
85.02900	14.9
85.06538	3.5
86.09682	4.5
89.10751	1.6
91.05474	7.5
91.87666	1.1
93.07059	7.5
95.04965	4.3
95.08592	3.7
97.02885	7.7
97.06530	26.7
97.07634	3.0
98.06041	4.6
98.97581	3.6
99.04453	30.6
99.08107	1.4
105.07014	7.2
107.04935	5.3
107.08586	13.0
109.02862	2.2
109.06487	3.3
109.10146	3.4
111.08068	1.8
113.09665	1.8
114.10282	14.2
115.05432	1.4
115.08707	3.0
116.98598	2.4
117.07037	1.8
119.01932	1.2
119.08561	3.5
120.08104	1.5
121.06482	1.8
121.10137	7.4
123.04408	1.3
123.08074	7.5
123.11672	4.2
125.09614	2.2
127.03909	4.3
128.06200	1.1
129.06992	1.1
131.04909	1.7
131.08563	2.5
131.12924	1.4
133.06581	1.4
133.09206	1.1
133.10115	7.3
135.04372	3.3
135.08092	1.3
135.11659	2.6
137.09622	2.1
142.12303	2.2
143.08533	2.0
145.04944	1.5
145.06441	1.6
145.10091	2.6
147.04340	1.7
147.07986	1.8
147.11697	2.8
149.06064	1.4
149.09616	32.0
149.13235	2.7
151.07486	1.7
151.11169	1.5
153.09109	1.5
153.12656	1.3
157.10915	1.8
159.07990	1.2
160.05209	2.5
161.02602	0.9
161.05991	8.1
162.02182	2.2
163.02536	2.2
163.03894	35.3
163.11174	5.0
164.04462	1.2
164.07056	1.9
165.12758	1.9
166.04951	1.4
167.07100	1.6
167.08562	2.4
167.10629	3.2
169.08607	4.1
169.10037	1.5
169.12265	3.9
173.06020	3.2
173.09564	1.0
173.13168	3.0
175.03841	2.4
175.07549	9.3
177.05453	2.3
177.09216	1.3
181.09967	1.1
183.13794	10.9
185.05898	1.2
187.07474	2.5
189.01888	1.3
189.05489	1.6
189.09116	8.5
191.07104	1.6
191.10612	2.6
191.14272	5.4
193.12242	1.2
195.08060	3.7
199.11052	1.1
201.09148	1.6
207.02843	1.8
207.06589	3.5
209.11777	1.8
209.15349	8.5
213.09068	4.2
215.07088	6.4
217.08591	1.5
219.01819	1.1
219.10196	5.3
219.40591	1.0
223.07407	1.3
227.12796	2.7
227.16399	32.0
231.10204	3.4
237.02760	2.4
241.08597	2.8
259.09735	7.2
265.09454	1.7
278.12195	1.1
312.16013	1.5
329.18710	1.3
330.16992	2.5
339.09589	2.3
347.19376	1.7
354.17987	1.2
371.20636	1.5
372.19168	2.7
389.21774	100.0
390.22116	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	389.2168
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.05503	23.3
56.96579	10.4
57.03440	11.4
67.05498	29.9
69.03423	27.7
69.07068	19.8
69.65883	62.2
71.04970	11.3
76.02221	22.4
79.05499	19.4
81.03400	28.3
81.07050	30.0
83.04967	20.5
83.08617	20.8
84.08121	16.6
85.02916	50.4
85.06541	13.9
86.09709	27.1
91.05439	45.9
93.07041	39.3
95.04976	23.0
95.08617	39.7
97.02885	22.1
97.06546	16.4
97.99220	8.0
99.04461	15.6
99.08076	24.9
105.07018	36.1
107.04929	16.9
107.08587	64.0
109.06495	28.4
109.10133	24.3
111.08086	12.9
117.07006	9.4
119.08569	39.5
121.06495	25.1
121.10148	44.0
123.08066	33.8
127.03893	20.2
129.06961	15.4
131.08562	31.6
133.10139	30.9
135.08028	24.4
137.05980	13.9
137.09621	15.3
143.08531	10.2
145.05002	13.7
145.10161	18.2
147.11644	14.7
149.05962	10.9
149.09595	59.6
151.11206	24.2
155.08496	9.8
163.14850	26.5
167.07143	9.9
167.08498	8.8
173.13229	31.9
175.07518	43.7
178.23454	8.8
179.04829	22.0
181.04869	14.2
190.27414	10.0
191.14343	66.9
193.12328	12.2
201.08769	9.5
207.06570	25.3
209.15337	100.0
211.13338	19.2
219.10156	28.0
227.12833	10.7
233.15427	37.2
265.09845	12.2
283.10764	11.4
293.09213	20.9
339.09653	20.0
345.15085	33.0
372.52969	8.8
389.13376	71.5
389.21933	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	389.1599
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03959	2.5
55.01877	34.9
55.05514	1.9
56.96556	3.2
61.52575	1.7
65.03931	8.5
67.05498	7.8
69.03414	5.1
71.60056	3.0
71.60722	2.0
79.05499	7.4
81.07048	5.2
81.45845	2.3
82.04207	4.7
83.08644	2.7
85.02901	7.6
91.05483	6.0
93.07041	5.3
94.04195	2.5
95.04976	8.4
95.08614	4.8
97.02911	3.2
97.06525	3.0
103.05489	13.3
105.07031	5.6
107.04965	14.3
107.08611	2.5
109.02886	2.3
110.03651	3.5
111.04424	3.7
113.87483	1.6
115.05474	2.3
117.07025	4.8
119.08586	3.1
121.06513	3.9
122.03606	5.5
123.04448	5.9
124.43954	1.9
125.06007	5.4
125.09643	2.0
128.06218	4.6
129.07018	13.0
131.04927	21.5
131.08563	3.1
133.06430	2.3
134.99646	3.1
135.04428	2.7
137.05984	41.9
138.03140	3.9
138.06346	3.8
142.02628	3.5
145.06494	4.6
147.04506	2.5
147.08081	2.7
149.06013	11.3
151.07590	3.5
153.05432	3.2
155.07048	2.2
156.53792	1.8
157.06479	11.5
158.07164	1.8
158.49068	1.9
159.04381	2.9
160.05200	5.2
161.05983	4.3
163.03958	2.2
163.07567	11.2
167.07045	32.2
168.07457	1.9
171.06569	7.0
174.06767	8.0
175.07545	17.6
177.05486	36.0
177.09085	2.7
179.06981	3.5
181.04973	100.0
182.05298	3.4
183.06583	3.8
184.48096	2.1
187.07573	4.2
189.09164	14.8
191.07008	4.1
199.11047	1.8
201.09169	2.8
205.06535	2.1
205.08377	2.2
206.07172	2.3
209.06053	3.1
209.08095	52.5
210.08449	2.3
217.06581	3.4
217.08623	7.4
218.07307	5.1
219.08182	3.9
219.10202	13.0
221.08055	3.8
225.50294	1.9
231.08150	2.4
233.09688	2.9
234.06709	5.4
235.07567	3.5
235.09724	2.2
246.06891	3.1
247.07863	2.0
248.08366	4.3
249.09239	9.0
261.09161	7.9
262.06290	2.4
262.09940	2.8
263.07095	3.1
276.07837	2.2
277.08533	15.9
278.09378	3.1
279.10208	4.0
291.09726	2.8
293.08392	3.3
293.11688	3.7
295.09396	2.8
307.09558	5.2
309.11203	6.9
311.12717	2.3
321.11307	6.2
329.13696	2.8
331.12979	3.4
339.12289	27.4
340.13092	2.0
341.13748	4.2
359.14404	6.1
371.14984	17.3
373.13934	5.1
389.15948	46.0
390.16577	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	389.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
55.05502	0.8
67.05495	1.7
69.03411	1.8
69.07053	0.8
71.04974	1.9
71.66243	0.5
72.08139	1.9
79.05490	1.8
81.03405	1.5
81.07070	3.0
83.04959	0.6
83.08678	0.7
84.08150	1.1
85.02900	2.3
85.06543	1.0
85.66489	0.6
86.09680	1.1
86.24661	0.5
91.05499	1.7
93.07050	1.7
94.06560	1.0
94.76475	0.6
95.04971	1.8
95.08591	1.1
97.02851	0.9
97.06527	1.4
99.04465	3.8
99.08111	1.3
105.07010	2.0
107.04942	1.0
107.08587	1.8
109.02853	0.9
109.10143	0.9
111.08106	0.7
118.06570	0.8
119.08585	1.1
121.10147	1.5
123.11699	0.8
127.03960	0.9
131.08585	1.0
133.10141	1.8
136.03946	0.8
137.05911	1.0
145.10110	0.9
146.06029	0.9
157.07652	0.9
162.05556	0.8
164.07118	0.9
167.07173	1.4
170.08336	0.8
171.09114	0.8
181.04976	0.6
181.12259	0.8
182.08157	0.8
182.09633	1.7
183.13795	1.3
184.09897	1.2
184.11324	1.0
185.07121	1.6
185.10757	1.8
186.07806	1.1
189.05441	2.0
189.10213	0.8
194.08298	0.7
195.09187	1.3
197.06934	0.7
197.10823	0.8
198.07809	3.6
199.08655	15.6
199.12268	1.3
200.09302	1.4
201.10318	0.8
209.10733	2.5
209.15388	0.7
210.09183	1.4
211.08617	1.5
212.09317	6.2
213.06741	5.5
213.10214	15.4
213.12155	1.1
214.07314	2.2
215.08289	1.7
222.07761	1.0
225.10265	1.2
226.07225	1.6
226.10840	1.4
227.08186	16.1
227.11702	10.4
227.16428	2.5
228.08748	4.5
229.06114	0.8
229.09761	6.4
236.09395	0.9
237.10184	5.5
238.08578	1.3
239.08188	2.7
239.11832	1.4
240.08812	7.0
241.06110	7.5
241.09702	35.9
242.10329	1.6
243.07634	1.5
243.11330	2.0
245.12846	8.6
253.09714	2.7
254.10567	0.9
255.07721	3.2
255.11287	40.3
256.08264	0.9
257.09186	6.1
257.12823	0.7
259.10760	2.2
265.09717	4.9
266.08078	0.8
267.11316	1.3
268.08374	1.1
269.09192	11.7
270.09921	2.8
271.10785	1.4
273.09552	1.0
273.12311	6.3
283.07455	2.0
283.10760	46.6
293.09100	2.2
295.10742	6.6
297.08456	1.5
300.10883	1.8
301.08188	2.4
301.11768	4.8
311.10226	26.4
313.11795	8.1
315.09637	0.9
321.08633	1.0
329.11316	100.0
330.11673	1.1
339.09738	6.7
357.10794	61.4
358.10703	0.8
361.13803	0.7
371.12433	2.3
375.11633	0.8
389.13397	19.5
389.21732	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68224	4.5
54.86052	4.4
57.56022	4.2
70.06571	5.4
70.46011	20.4
72.08137	21.3
84.04573	6.0
84.08137	12.7
85.06071	5.1
89.46159	4.3
94.56186	4.2
98.20688	4.9
101.71054	5.3
102.05611	5.4
112.89590	6.9
115.08731	4.9
137.25066	4.5
141.08472	4.2
184.35916	5.2
232.90096	7.3
331.66205	4.4
334.45697	5.5
345.09372	9.6
355.45966	5.3
368.72269	5.9
389.03610	7.9
389.08356	100.0
389.12820	5.8
389.24445	5.3
390.07874	5.8
390.75937	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	389.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	19.4
57.87419	4.0
65.44014	3.5
69.95009	22.4
72.08164	26.1
77.64771	3.3
77.91289	4.1
84.04498	6.5
84.08118	4.2
84.96021	6.2
85.02907	8.5
86.09703	24.5
97.02875	4.6
97.54224	4.2
98.97578	70.6
102.05480	5.1
104.32010	3.5
112.99149	6.9
116.98622	74.6
118.18542	4.6
129.10240	4.7
131.00157	14.3
134.99644	43.8
149.01208	25.9
153.00638	5.5
158.99646	45.9
162.99146	6.2
173.01233	28.8
173.12816	14.1
177.00710	100.0
189.12341	9.3
191.02266	42.2
195.01689	8.8
200.02269	5.4
201.00690	18.6
201.12376	4.6
218.73566	4.2
219.01753	52.3
225.56055	3.7
231.05173	4.7
233.03287	13.7
237.02821	12.9
261.02832	4.5
303.07489	24.4
321.08463	36.1
345.08850	5.6
389.08035	45.3
389.17819	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	389.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16739	3.2
55.57290	2.8
56.96560	5.0
67.69589	3.5
68.89766	3.1
71.15008	7.9
72.08144	22.0
77.82011	2.9
81.04551	3.0
84.04493	13.0
84.08146	13.3
85.02901	8.4
86.09708	13.8
86.14656	3.1
95.72554	3.1
98.97564	8.1
101.07114	3.9
116.98647	6.0
119.01900	3.6
129.06599	6.6
140.14850	3.4
145.64343	3.0
158.94218	3.1
163.03923	3.9
173.12846	5.8
175.01779	3.5
201.12294	8.2
212.82666	3.3
230.03320	3.3
248.61235	3.5
299.06134	3.7
345.09476	6.0
389.08389	100.0
389.12543	6.6
389.24640	3.4
390.08585	5.1
397.83221	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	388.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
56.05012	0.7
56.96560	0.8
62.14299	0.6
65.66096	0.5
67.05499	1.6
69.03426	1.5
69.07056	1.3
70.06580	2.3
71.04985	1.2
71.19494	1.5
72.08173	0.7
73.02917	0.6
73.06553	1.2
76.03963	0.7
76.69841	0.5
79.05479	1.6
81.03416	1.6
81.07040	1.7
83.04973	0.6
84.04523	1.1
84.08161	2.0
85.02893	3.2
85.06519	0.7
86.09700	3.4
87.04471	3.4
88.03969	0.8
89.06029	100.0
91.05471	1.4
91.07585	0.7
93.07038	1.2
95.04964	1.9
95.08606	0.6
102.05520	0.7
103.05430	1.4
105.07056	1.4
107.07059	5.2
107.08584	1.4
119.08637	1.4
120.08117	0.8
121.10155	1.2
122.92034	0.5
123.08071	1.0
125.09640	0.5
127.03933	1.0
130.08672	1.0
131.04910	1.8
131.07056	1.8
131.08611	1.3
133.08598	61.9
137.05981	2.2
138.06281	1.1
144.66962	0.5
145.06439	0.6
145.10124	1.1
147.07994	0.6
149.09605	1.2
151.09657	0.8
163.07562	0.6
163.11203	0.5
165.05531	2.9
166.05815	1.4
167.07065	2.2
168.07349	1.7
173.09753	0.6
173.13063	0.6
175.07565	1.0
177.05556	0.5
177.11221	22.0
187.07268	0.5
189.12651	0.9
195.12251	0.8
207.06558	0.8
207.13748	0.6
209.11844	0.8
209.15440	0.6
221.13849	2.4
226.11185	0.7
239.14903	1.7
262.59573	0.5
283.17523	2.4
303.12323	2.2
303.46399	0.6
327.20126	3.1
329.11948	0.9
330.12393	3.2
358.13556	0.8
370.13895	1.2
371.22751	19.9
379.38675	0.6
388.12238	1.0
388.16702	15.3
389.13132	1.2
389.17993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.7
55.66092	2.0
57.03425	3.7
61.72652	2.0
64.88657	2.3
67.05496	3.8
68.09062	2.1
69.03430	8.3
69.07056	4.5
69.91956	14.0
70.06583	3.7
79.05485	6.1
79.68266	2.2
81.03400	3.4
81.07027	6.4
83.04970	2.1
85.02901	17.5
85.06520	3.2
86.09689	4.2
91.05467	7.7
93.07035	9.5
95.04933	2.8
95.08585	6.1
97.02875	4.2
97.06519	6.6
105.07041	17.8
107.08593	33.1
109.06507	9.5
115.07542	2.5
116.98379	2.0
117.07011	3.0
119.08569	5.2
121.02812	5.1
121.06466	2.5
121.10144	12.5
123.08052	3.0
123.97107	2.1
124.06699	2.0
127.03902	6.0
131.08569	8.8
133.10126	100.0
134.10425	2.5
135.08052	2.8
137.09610	20.0
143.08517	2.4
145.04953	2.6
145.10133	5.1
147.11697	7.6
149.13271	6.4
163.11215	2.5
173.13269	24.0
175.07523	8.5
191.14305	33.9
209.15314	3.3
219.10222	3.1
227.12640	2.3
231.13770	4.2
258.22446	2.1
303.50793	2.4
312.10999	3.0
313.11490	2.3
351.53223	2.4
388.14160	2.9
388.23074	2.6
389.13449	2.9
389.17865	5.9
408.38931	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01872	7.7
56.96577	0.6
57.03426	5.6
61.02926	5.0
67.05479	0.5
68.99785	3.1
69.03426	33.2
69.55019	3.8
70.06593	0.7
71.04984	4.2
72.24725	0.5
73.02910	6.5
79.05481	1.1
79.15056	0.4
81.03413	21.6
81.07056	1.3
83.01324	0.9
83.04976	0.6
85.02901	100.0
86.03228	1.5
87.00826	39.4
87.04462	0.8
91.03946	2.1
91.05468	1.3
95.04971	0.7
95.08590	0.8
97.02886	28.5
97.06544	0.5
98.06017	0.8
98.97579	1.4
99.03831	0.9
99.04446	13.7
101.02357	0.7
103.03925	0.9
103.05473	0.5
105.01861	70.9
105.07027	13.7
106.07410	0.7
107.08559	0.7
108.04472	3.3
109.02873	29.3
113.48897	0.5
115.03902	1.5
116.98697	0.6
117.01865	2.5
119.08546	0.5
123.02920	1.0
126.05544	2.3
127.03912	73.8
128.04242	1.4
128.41318	0.5
129.01837	3.8
133.06479	0.7
137.05948	0.8
138.06314	0.9
143.08495	0.6
145.04951	37.5
146.05415	0.5
147.02884	3.4
155.08537	0.7
159.02884	14.9
160.03299	0.5
167.07106	0.7
171.02850	0.8
177.00632	0.4
177.03865	1.3
189.03912	4.2
189.08929	0.9
213.03891	3.5
213.09108	1.5
225.59996	0.5
230.06479	1.1
231.04988	25.0
231.10008	2.1
232.05281	0.6
248.07651	2.0
249.06035	6.9
266.08649	1.1
388.12286	0.6
388.15793	1.4
389.13464	0.5
389.15472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2118
Annotation	Tirandamycin C
Peak:m/z	Relative Intensity
53.03939	2.8
55.01853	1.2
55.05508	6.6
56.96575	5.6
57.07053	1.0
67.05502	25.7
68.05830	1.3
69.03074	2.0
69.03428	27.7
69.07069	7.5
69.18042	1.0
69.96879	6.7
71.04990	2.1
79.05491	37.0
80.05813	1.8
81.03373	1.2
81.07056	46.0
82.07365	1.3
83.05000	2.2
83.08610	4.7
85.02856	1.7
91.05476	10.2
93.07053	15.3
95.04974	5.4
95.08609	26.2
95.09219	1.4
97.06528	15.0
98.97611	2.3
103.05508	1.6
105.07033	43.9
107.04955	21.7
107.08598	24.2
109.06510	4.0
109.10155	48.0
111.08073	4.7
116.98638	1.7
117.07000	2.9
119.08582	86.5
120.08903	1.7
121.06510	12.2
121.10143	9.6
123.04417	2.7
123.08071	1.3
123.11675	9.2
124.07599	1.6
125.05992	28.8
126.01909	1.9
128.06212	1.2
129.06996	1.3
131.00130	1.1
131.08572	9.2
133.06477	3.2
133.10132	21.4
134.99666	2.5
135.08035	2.1
135.11702	10.2
136.59293	1.2
137.09612	26.3
141.05463	2.8
142.07765	1.8
143.08510	3.6
144.09293	2.1
145.10135	4.6
147.11690	9.0
149.01123	2.1
149.06010	9.5
149.13272	8.3
150.05476	2.1
153.12779	1.3
155.08562	1.8
157.10127	3.8
158.10875	1.2
158.99606	1.1
159.08102	1.6
159.11693	11.6
159.20505	1.1
161.09595	2.3
161.13231	3.7
163.14807	1.9
165.09082	1.3
166.53346	1.2
168.06596	1.9
168.09384	1.4
171.11710	2.2
173.13266	10.0
175.14828	100.0
176.15164	5.1
177.00748	2.1
177.12801	3.1
177.16319	2.2
179.14345	3.4
183.11711	6.0
185.13255	7.0
185.63908	1.1
189.09071	1.1
189.12825	1.3
191.14278	2.8
193.10165	1.3
193.15875	58.6
194.16263	2.0
196.06093	1.2
197.13193	1.4
201.12752	16.5
203.14330	26.0
219.13799	27.0
221.13591	1.2
221.15361	33.4
222.15752	1.9
233.67564	1.1
236.09111	3.0
257.15347	2.4
259.20697	1.2
271.21362	1.3
276.13135	1.6
277.21579	3.6
281.10617	2.5
281.19037	3.5
282.15250	1.4
297.18372	1.3
297.47977	1.2
299.11728	1.3
299.20038	3.0
300.12488	1.6
300.15921	2.0
324.19672	2.4
328.15430	3.3
334.18170	2.0
342.20599	4.6
347.15479	4.5
352.19073	2.6
365.16284	1.6
370.20105	22.8
371.19305	1.9
388.21179	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	387.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01857	5.0
55.05504	23.1
57.07066	12.9
59.05006	9.4
67.05507	20.9
69.03425	13.0
69.07069	19.0
71.59846	6.2
72.52692	4.6
79.05494	32.7
81.03427	4.8
81.07042	39.4
83.04994	17.5
83.08601	5.5
85.06537	6.4
85.94888	4.3
91.05478	48.5
93.07043	73.0
95.04956	16.0
95.08607	33.5
97.06517	24.4
99.04490	6.0
103.05470	5.0
105.07030	100.0
107.04964	6.1
107.08595	46.8
109.06519	16.0
109.10139	6.7
111.08077	7.7
111.13585	4.5
115.05455	5.6
116.06246	4.9
117.07035	21.2
119.08577	86.6
121.06504	12.6
121.10151	23.5
123.08066	40.1
128.06236	12.3
129.07016	7.6
130.07730	5.3
131.08560	48.1
133.06532	12.8
133.10136	60.7
135.08046	25.2
135.11737	21.5
137.09595	17.7
139.07550	49.8
141.07007	4.7
141.09077	4.2
142.07794	11.4
143.08569	25.3
145.06512	6.2
145.10118	47.5
147.08047	30.3
147.11667	30.9
149.09587	24.1
151.07530	79.8
155.08537	7.5
156.09361	19.2
157.10144	16.7
159.08145	10.6
159.11696	16.9
161.09641	31.5
161.13203	23.7
163.11182	16.2
165.09114	41.8
165.75810	5.4
171.11681	25.0
173.09625	9.4
173.13309	7.6
174.10454	9.5
175.11172	11.7
175.14740	7.2
177.07343	4.0
177.09097	11.8
179.10709	21.4
183.11731	5.8
185.13297	10.1
187.11180	8.2
189.12712	38.3
195.11678	10.4
197.13210	6.7
199.11272	5.5
203.14343	20.2
207.13731	31.7
213.12759	7.8
221.15366	91.6
233.15314	7.5
241.15837	5.6
243.14001	5.5
259.17221	6.0
274.19119	7.1
287.20074	4.5
299.20038	7.3
307.19037	20.7
313.18143	5.1
358.19711	4.9
369.24139	15.0
387.25388	89.3
388.25525	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68600	1.6
53.03945	10.3
55.01871	9.6
56.96556	1.9
57.03433	8.3
57.41383	1.5
61.02929	8.2
68.99800	4.1
69.03427	36.4
70.06602	5.0
70.15956	9.5
71.04994	7.5
73.02930	10.4
81.03414	36.0
81.07065	1.9
84.04510	3.6
84.08138	3.6
85.02905	100.0
86.09691	5.2
87.00832	40.2
87.04466	2.2
88.09904	1.7
88.27012	1.7
91.03957	4.0
97.02890	65.0
97.03514	4.2
98.21416	2.0
99.04452	21.2
102.93484	2.0
102.94228	1.9
105.01860	48.0
105.07050	2.8
107.04994	2.4
108.04483	10.7
108.05125	1.9
109.02880	31.5
115.03916	2.1
117.01861	4.7
121.06532	2.6
126.05536	5.6
127.03919	93.1
129.01852	4.1
137.05978	4.6
138.06302	2.4
145.04956	52.9
147.02882	4.4
151.03937	2.0
159.02869	24.2
198.06297	2.9
213.04025	3.1
230.06708	2.2
231.05005	14.4
248.07632	3.4
289.12140	1.9
388.11099	4.1
388.16138	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01857	1.2
56.96561	0.5
57.03421	0.6
61.02917	0.6
68.99786	0.5
69.03423	3.4
69.07050	0.5
71.15232	1.1
73.02912	1.1
79.05475	3.8
80.05849	0.4
81.03423	3.8
83.04979	0.4
83.11862	0.4
85.02897	10.9
87.00831	3.8
91.05469	0.5
93.07069	0.4
95.04960	1.4
97.02885	4.3
98.97573	0.6
99.04445	1.1
103.03969	0.9
103.05466	1.9
105.01860	5.4
105.07022	100.0
106.07356	1.3
106.11702	0.4
107.08579	0.4
108.04460	1.0
109.02878	3.6
119.08585	3.7
125.02410	0.6
126.05524	0.5
127.03911	7.2
128.98567	0.4
129.01825	0.5
131.08571	1.0
143.03372	1.1
143.08543	1.1
145.04950	3.7
147.02919	0.5
147.08047	1.8
157.10153	0.5
159.02847	1.8
159.08090	1.5
167.07002	0.4
171.08040	1.5
185.09624	1.2
189.03938	1.0
189.09085	1.5
195.08092	1.0
213.09123	2.5
231.05026	1.6
231.10127	1.2
249.06319	0.4
320.10941	0.7
388.11081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
56.96603	12.8
67.05504	15.8
69.03423	20.0
70.06590	28.7
70.30164	56.5
72.08119	14.6
81.07052	28.5
84.08173	15.8
85.02895	36.3
85.06551	18.5
86.09708	37.2
91.05476	19.5
93.07043	30.7
95.08600	73.8
98.37315	13.1
105.07045	52.6
107.08587	91.7
109.06571	14.7
119.08586	54.3
121.06541	30.4
121.10120	32.9
123.08033	24.9
131.08537	17.9
137.09628	50.7
143.08549	13.1
145.10138	12.6
147.07939	12.0
147.11682	71.1
149.09596	76.5
161.13217	35.2
167.10643	100.0
177.12759	53.4
189.12747	95.5
204.73312	13.2
207.13860	92.3
210.76334	12.5
225.14890	77.4
318.77304	13.5
339.23587	12.7
387.12015	21.6
387.16229	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.4
56.96561	26.9
57.07071	16.3
57.54694	5.5
57.87331	5.6
59.04986	8.6
67.05503	24.2
67.46378	5.4
69.03413	21.9
69.07059	17.1
69.99537	33.0
70.06559	9.5
71.05006	5.9
79.05498	20.9
81.07066	47.1
83.04973	25.3
85.02889	8.5
85.06552	6.7
91.05489	57.9
93.07044	57.5
95.04974	22.8
95.08621	42.0
97.06537	20.1
98.20851	8.6
105.07023	100.0
107.04971	6.6
107.08595	60.1
109.06514	18.8
109.10150	16.2
115.08688	7.4
117.07031	24.6
119.08588	83.4
119.15747	7.1
121.10101	30.1
123.08047	49.9
128.06241	10.8
129.07056	12.9
130.07774	6.1
131.08560	56.4
133.06479	13.8
133.10143	69.0
135.08044	23.3
135.11681	17.5
137.09602	11.9
139.07542	49.9
141.16426	5.2
143.08575	21.9
145.10118	62.4
147.08043	36.8
147.11617	27.9
149.09642	26.5
151.07547	91.8
156.09341	19.0
157.10136	18.2
159.11699	13.9
160.08768	9.6
161.09602	32.8
161.13326	29.4
162.93208	5.6
163.11157	16.3
165.09111	37.3
167.10603	7.0
169.10150	6.0
171.11699	26.6
173.09543	14.4
175.01575	19.2
177.09117	17.0
179.08426	7.3
179.10661	16.7
185.13318	10.4
189.12738	40.4
195.11647	6.1
203.14308	20.2
207.13809	23.8
209.13217	6.8
209.15221	9.2
213.12761	6.2
215.14352	11.2
217.12254	13.2
221.15355	94.4
221.17349	10.5
229.31548	7.3
253.11168	22.6
271.12296	16.0
274.19473	7.0
299.20239	7.4
307.19080	20.9
307.38068	6.5
331.13040	21.7
369.24362	18.4
387.25244	98.6
388.25858	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	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
53.03932	0.6
53.14357	0.1
55.05488	0.2
56.96561	0.4
61.91648	0.1
67.05505	0.2
69.03422	0.2
69.07064	0.2
70.46791	0.1
77.03918	0.2
79.05492	4.2
81.03417	0.6
81.07059	0.4
85.02910	0.2
91.05477	0.3
93.07032	0.3
95.04972	1.6
95.08611	0.2
97.02863	0.2
97.06551	0.2
102.72573	0.1
103.05455	2.7
105.07029	100.0
106.07358	1.6
107.08563	0.2
109.06519	0.2
116.33141	0.1
117.07014	0.2
119.04958	1.6
121.06503	0.2
121.10131	0.2
121.25535	0.1
127.03914	0.2
133.10161	0.2
137.05930	0.2
143.08611	0.2
145.10138	0.1
157.10188	0.1
160.34894	0.1
164.18805	0.1
171.11647	0.2
185.09619	0.1
238.46751	0.1
325.17166	0.1
331.15936	0.2
349.16949	0.4
367.17969	0.2
387.25546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
56.96566	1.6
65.03947	1.1
65.04831	0.9
67.05514	1.0
69.03413	1.0
69.07079	0.9
71.60039	1.7
79.05504	2.0
81.03423	1.1
81.07053	1.7
85.02910	1.5
91.05503	3.7
93.07030	1.5
93.46577	0.8
94.04163	0.8
95.04939	1.0
95.08610	1.3
97.06531	1.2
101.00884	1.3
103.05501	1.4
104.34427	0.8
105.07066	0.8
107.04972	1.7
107.08565	1.2
109.02888	1.1
115.05472	2.0
116.28737	0.7
116.98605	1.4
117.07040	2.0
119.01927	8.3
119.04967	0.9
119.08580	1.0
121.06502	1.2
122.03655	3.1
128.98640	1.0
131.01945	3.2
131.04941	2.0
131.08553	1.1
133.02773	1.0
135.04443	1.5
137.03006	1.2
137.05977	41.1
138.06355	1.0
141.01833	0.8
143.01981	1.2
143.04945	1.4
145.03508	2.0
145.06519	1.6
146.99661	1.0
147.04373	1.2
151.03931	2.4
151.07590	1.2
159.02942	1.2
161.02962	3.0
161.06029	1.4
163.07632	1.3
165.05525	1.6
167.07016	7.6
173.02974	1.7
173.06030	2.0
177.05469	1.0
179.03426	1.0
181.04955	8.3
187.00891	4.3
191.07045	1.6
191.08643	0.9
199.14662	0.9
203.07079	1.5
205.02029	1.1
205.08633	0.9
227.05302	1.1
229.01889	1.0
233.08220	1.3
265.08649	1.2
271.04327	2.2
274.55783	0.8
301.16238	2.0
319.16174	2.7
337.10837	1.4
337.17313	1.2
343.17264	18.9
357.13382	6.1
387.16284	100.0
388.16522	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	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.41462	0.2
52.26249	0.2
53.03936	0.6
55.01864	0.7
65.03922	1.3
66.04704	0.5
67.05488	0.9
69.07083	0.3
76.63267	0.2
78.04713	0.3
79.05488	1.3
81.03399	0.7
81.07050	0.7
82.04181	0.6
85.02908	0.8
86.09717	0.2
91.05466	1.9
93.03388	0.3
93.07037	0.3
94.04178	2.9
95.04977	1.2
95.05466	0.2
95.08612	0.3
97.06513	0.6
98.20795	0.6
98.97567	0.3
103.05471	3.7
105.03407	0.3
105.07027	0.9
106.04158	0.2
107.04945	1.3
108.02105	0.5
109.06499	0.3
110.03634	0.7
111.04419	0.7
111.59715	0.2
115.05428	1.8
116.98587	0.3
117.07043	1.7
117.94922	0.2
118.04145	0.9
119.04946	0.5
119.08520	0.5
121.06528	0.4
122.03648	8.4
123.04429	0.7
124.05206	0.4
125.05967	0.6
129.06949	0.3
131.04932	4.2
132.05717	0.3
133.02856	0.6
133.06464	0.7
135.08025	0.4
137.05974	100.0
138.03059	0.3
138.06305	0.9
141.05470	0.6
142.02596	0.4
143.04912	3.0
144.05669	0.3
145.06482	2.4
146.03644	0.3
147.04404	0.5
147.08026	0.6
148.05203	2.6
149.06018	0.5
151.03906	11.0
151.05006	0.9
152.04675	0.2
152.76302	0.2
153.01796	0.6
153.05475	0.4
155.05948	0.4
160.05257	0.6
161.05989	0.9
163.07539	3.9
165.05460	0.7
167.07045	11.2
171.04346	0.5
171.06563	1.3
172.05255	0.2
173.05971	3.0
175.07553	1.3
176.04678	0.4
177.05455	0.5
179.07068	0.3
181.04953	20.0
187.07559	0.4
189.05391	0.4
191.07028	13.3
192.07463	0.3
193.08650	0.5
195.06506	0.3
203.06972	1.7
203.08560	0.2
205.06578	0.4
205.08540	2.5
209.08163	0.5
215.07080	0.3
217.08530	0.2
219.08121	0.3
221.08005	0.3
233.08064	1.6
235.07608	0.3
235.09601	1.9
237.09137	0.4
248.08409	0.2
249.09076	0.4
263.09238	0.2
267.10254	0.3
277.08649	0.2
279.06638	0.3
279.10117	0.2
281.04767	0.3
295.09741	0.3
307.09570	0.2
309.11435	0.3
310.04559	0.4
325.10745	0.4
327.04913	0.4
337.10544	0.8
339.12384	0.5
341.13712	0.3
351.12305	0.7
355.11725	0.6
357.13303	13.0
369.13159	0.5
387.06631	0.7
387.14365	26.5
388.14697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03935	0.4
55.01861	0.7
60.35055	0.3
65.03951	1.3
66.04710	0.3
67.05485	0.7
69.03432	0.6
70.06569	0.3
71.12077	0.6
72.40630	0.2
77.03959	0.2
79.05509	1.2
81.03407	0.5
81.07053	0.9
82.04185	0.5
85.02918	1.1
86.09706	0.4
91.05484	1.6
94.04175	2.5
95.04979	0.7
95.08587	0.3
97.06537	0.6
103.05454	2.2
105.03416	0.3
105.07012	0.7
106.04195	0.3
106.19299	0.2
107.04947	1.4
108.02106	0.4
109.06538	0.5
110.03658	0.6
111.04424	0.6
115.05466	1.6
117.07031	1.8
118.04148	0.6
119.04947	0.3
119.08559	0.3
121.06538	0.5
122.03650	8.6
123.04434	0.7
124.05198	0.4
125.05972	0.9
131.04909	2.0
133.02824	0.3
133.06476	0.6
135.04408	0.3
137.05977	100.0
138.03119	0.4
138.06302	1.2
142.02599	0.7
143.04935	3.1
144.05678	0.3
145.06500	2.7
147.04495	0.3
147.08035	0.3
148.05194	0.8
149.05910	0.3
151.03902	7.5
151.05081	0.6
153.05431	0.5
155.06024	0.6
160.05165	0.4
161.05974	0.7
163.07532	1.8
165.05524	0.6
167.07050	10.5
171.04402	0.5
171.06532	1.7
173.05983	3.4
175.07549	1.0
176.04674	0.4
177.05482	0.3
181.04959	20.3
182.05394	0.3
187.07620	0.5
191.07024	6.0
195.06566	0.4
203.07033	2.3
205.08603	2.4
233.08083	1.2
235.09676	2.2
249.09187	0.3
265.08542	0.3
277.08603	0.5
309.11127	0.6
337.10638	0.6
339.12402	0.3
351.12329	0.5
355.11957	0.5
357.13333	13.0
358.14035	0.3
369.13400	0.7
387.14410	26.3
388.14725	0.7
398.80518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02391	0.2
53.03942	0.5
55.01867	0.7
55.05521	0.2
55.67907	0.2
55.99557	0.2
56.96555	0.2
58.33785	0.2
58.69564	0.2
65.03938	1.3
66.04697	0.4
67.05500	0.8
69.03427	0.2
70.18925	0.4
70.19350	0.6
78.04689	0.2
79.05503	1.1
81.03411	0.4
81.07045	0.4
82.04185	0.4
85.02898	0.7
91.05468	1.7
94.04182	3.1
95.04986	0.9
97.06521	0.6
98.20901	0.3
100.42255	0.2
103.05463	2.8
105.04500	0.2
105.07045	0.4
106.04158	0.3
107.04952	2.0
108.02132	0.2
110.03674	0.6
111.04428	0.4
115.05463	1.5
116.01209	0.2
117.07015	1.8
118.04160	0.6
119.04932	0.4
121.06559	0.3
122.03651	7.4
123.04408	0.9
123.79189	0.2
124.05242	0.3
125.05982	0.5
127.05462	0.2
129.07004	0.3
131.04915	2.1
132.05728	0.5
133.02867	0.5
133.06453	0.5
137.05975	100.0
138.03102	0.4
138.06310	1.0
141.05440	0.2
141.06993	0.3
143.04922	2.9
144.05663	0.3
145.06483	2.7
146.03561	0.3
147.08040	0.3
148.05165	1.0
149.05952	0.2
151.03906	8.1
151.04932	0.3
155.06027	0.6
159.04530	0.2
160.05289	0.2
161.05997	0.6
163.07515	2.0
165.05464	0.3
167.07040	10.5
171.04391	0.4
171.06589	1.0
173.05983	2.8
175.07559	1.1
176.04691	0.4
177.05475	0.3
181.04958	15.9
182.05252	0.3
182.36737	0.2
185.30949	0.2
189.07040	0.2
191.07024	7.6
192.07660	0.2
193.08591	0.3
195.06519	0.3
197.06020	0.3
202.07954	0.2
203.07054	1.8
203.08650	0.3
205.06735	0.3
205.08640	1.8
209.08087	0.3
215.07043	0.6
219.08195	0.3
221.08002	0.2
221.09921	0.3
223.07626	0.2
231.08159	0.2
233.05980	0.3
233.08031	1.3
234.06715	0.3
235.07648	0.3
235.09669	2.1
247.07541	0.4
249.09108	0.3
259.07513	0.3
264.07785	0.3
265.08725	0.4
272.69873	0.2
277.08679	0.5
279.10120	0.3
295.09604	0.3
305.08096	0.6
307.09683	0.2
309.10956	0.2
319.09546	0.3
325.10675	0.4
337.10785	1.1
339.12341	0.5
351.12338	0.6
355.11798	0.4
357.13336	11.8
358.13687	0.5
369.13391	0.5
387.14392	23.5
388.14697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01871	19.2
55.05504	10.2
56.96570	12.3
59.16806	4.9
67.05495	14.4
69.03423	9.2
69.07072	14.4
71.60481	8.6
79.05486	21.3
81.03415	10.2
81.07058	21.1
82.21572	5.2
83.04945	5.1
85.02912	17.3
91.05486	19.3
93.07053	17.9
95.04976	18.2
95.08617	20.6
96.41832	4.7
97.02882	5.9
97.06538	33.4
98.97614	9.8
103.05447	10.2
105.07028	15.3
107.04948	34.8
107.08595	12.3
109.10167	11.0
111.04466	6.1
116.98595	8.0
117.07063	6.5
119.08584	16.2
121.06539	6.7
121.10153	6.9
123.04404	12.5
123.11680	5.4
127.03874	5.9
131.04926	22.9
131.08397	4.9
132.05728	10.1
133.10164	9.0
134.03627	5.9
135.11728	7.4
137.05980	21.2
145.06454	10.5
145.10152	8.5
147.04465	7.0
152.04861	7.1
155.04938	9.6
157.06499	5.5
159.08023	7.0
167.07051	60.5
173.05952	10.5
175.07533	9.1
175.14914	5.7
177.00659	6.0
177.05499	19.3
178.07813	9.4
179.08540	6.7
187.07484	14.5
189.07002	11.8
190.07843	7.9
191.07091	27.5
195.06451	25.4
197.06111	6.2
198.40353	6.0
202.07835	9.5
203.07002	9.3
203.08673	9.6
205.06598	7.4
206.07382	7.0
207.08081	7.3
215.07027	19.3
218.07162	7.0
219.08067	13.9
221.09668	6.5
231.08038	17.7
233.05931	7.9
233.26097	5.8
234.06786	20.1
235.07481	12.3
236.04871	5.7
236.08588	5.3
237.08908	6.1
246.06758	5.8
247.07553	20.3
248.08336	9.4
249.09155	10.7
250.06129	6.4
251.07086	8.2
258.06818	7.9
259.07593	16.0
261.05460	9.9
262.06436	8.1
263.06992	7.5
264.07748	8.3
275.07007	9.4
276.07819	21.2
277.05014	5.3
277.08499	25.4
278.09491	6.0
279.06635	8.5
279.10007	16.2
283.10001	8.8
287.07062	15.6
291.10043	26.5
293.08072	11.0
304.07297	5.5
305.08038	56.6
306.08905	9.0
307.06412	6.3
307.09677	21.3
309.11166	12.2
319.09659	38.2
320.10626	5.1
322.08246	7.5
337.10687	100.0
339.12231	34.5
351.12320	50.7
354.77469	6.2
357.13287	14.2
369.13257	33.7
387.18082	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	387.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23310	0.8
50.98562	0.7
55.01860	0.9
55.05505	1.9
55.69812	0.7
56.58332	0.9
58.57723	0.7
69.03410	2.5
70.06589	5.5
71.04998	1.1
71.60146	1.4
72.08154	4.9
74.06057	1.3
77.57459	0.7
77.85590	0.7
79.05476	1.9
81.03400	1.2
81.07062	1.9
85.02898	5.5
86.09687	3.5
89.00618	1.1
91.05451	2.5
93.07019	2.2
95.04952	1.7
95.08589	1.7
97.02866	2.2
99.04427	0.9
105.07002	2.8
107.04946	0.9
107.08588	1.3
109.02858	1.3
109.10129	1.1
111.04408	1.3
113.88313	0.7
116.07064	2.6
116.98587	1.1
119.01895	1.7
119.08558	2.5
121.10141	1.5
127.03929	1.8
129.39047	0.8
131.08559	1.6
133.10101	1.6
137.05974	1.5
139.07291	2.1
143.08571	0.8
145.04959	1.1
145.10124	1.5
148.06667	0.7
155.08664	0.7
161.02971	1.6
161.13228	0.9
163.11125	1.7
165.05412	1.1
167.06946	1.1
171.14993	0.9
183.11659	1.6
189.12469	1.3
191.00027	1.0
199.08061	1.2
207.13782	4.1
217.11942	1.2
219.01656	1.0
221.05061	3.2
225.14795	1.7
227.05203	2.6
229.12294	1.1
243.10672	0.9
301.12543	9.7
325.12579	1.4
343.13605	42.8
344.13834	1.5
344.63260	0.8
387.12524	100.0
387.16071	5.4
388.12851	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1261
Annotation	Axitinib
Peak:m/z	Relative Intensity
52.01609	0.9
53.32715	0.9
57.03416	1.4
59.50783	0.9
60.04517	1.1
61.02915	1.4
61.60756	1.0
67.05474	1.1
69.03412	2.5
69.99148	5.6
70.06593	9.0
72.08129	1.9
73.49023	1.0
74.06114	1.1
81.03397	3.6
81.07021	2.4
84.08137	2.4
85.02901	7.1
86.09676	4.0
93.06953	1.0
95.04938	1.5
97.02872	3.3
99.04421	1.2
105.01880	1.4
105.07032	1.4
109.02846	1.7
116.07075	2.2
116.98672	1.4
119.01900	1.2
119.08579	1.4
127.03898	2.6
129.10251	1.3
133.06587	1.1
133.78188	0.9
137.02873	1.1
137.05942	1.5
139.07283	3.5
139.08617	2.5
145.04930	1.3
163.11189	1.7
167.06970	1.2
173.05905	1.1
201.12242	1.2
207.13863	1.3
217.11934	1.2
221.05083	3.8
227.05205	1.4
301.12518	6.3
325.12552	1.7
343.13647	45.5
344.13962	1.8
366.29053	1.0
369.11435	1.8
387.12497	100.0
388.12912	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.3
69.03432	1.5
69.86366	1.3
70.11286	5.6
70.11688	2.4
84.96028	11.4
98.97581	45.5
102.97112	1.7
110.97585	11.2
112.99075	2.7
116.98627	29.0
119.60420	1.3
126.45244	1.6
128.98586	17.4
131.00139	4.8
134.99623	11.5
137.05983	7.1
140.98584	2.7
141.69412	1.3
143.00160	7.9
144.98100	3.8
146.99635	13.3
149.01199	3.6
152.98604	4.4
157.05449	1.5
158.99638	9.2
161.01241	10.6
161.02512	1.5
161.34216	1.4
162.99165	3.8
165.00758	2.1
167.07007	3.0
170.99655	6.9
173.01253	3.5
175.06384	3.2
177.00693	18.6
189.00737	6.4
195.01711	2.0
199.06422	5.0
201.00745	2.1
203.30708	1.4
213.07767	4.3
217.07501	3.2
219.01750	18.3
233.07848	1.8
237.02812	45.5
255.03822	3.8
259.08484	1.5
301.09549	50.0
316.15009	1.5
319.10623	100.0
320.10956	3.9
341.22430	1.5
342.12097	3.8
343.10452	11.6
361.11755	13.0
362.11896	1.5
372.14941	1.4
387.09836	7.1
408.86172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
54.70959	0.5
55.01882	1.7
57.03453	1.1
64.56013	0.4
67.01869	2.7
67.05499	1.1
69.03429	6.9
69.07082	0.7
71.04995	2.8
73.02918	1.1
79.05489	1.2
81.03420	12.9
81.07067	1.2
83.04967	1.1
85.02902	2.5
91.05466	3.4
93.07043	1.1
95.04982	1.4
95.08602	1.5
97.02892	3.3
97.06599	0.8
99.04459	5.8
103.05460	0.8
105.07054	1.5
107.04955	13.6
107.08638	0.6
108.05299	0.7
109.02876	7.6
111.04454	0.9
115.05445	4.4
116.06277	0.6
117.06997	1.4
119.04903	2.3
121.02854	0.6
121.06532	1.6
123.04445	1.6
123.11720	0.5
125.02325	1.1
127.03916	19.9
128.06203	1.1
129.06984	1.6
131.04922	5.7
131.08566	1.5
132.05713	2.1
133.06516	1.5
135.04411	0.8
135.07979	0.5
137.05983	11.8
139.03891	0.6
141.07011	7.3
143.04968	1.1
143.08542	0.6
144.05713	6.8
145.04985	1.4
145.06482	7.8
145.10095	0.6
147.04428	2.1
151.03908	5.3
153.06935	0.7
155.04849	0.6
155.08479	0.6
157.06459	1.4
158.07234	2.0
159.04451	0.6
159.08081	2.7
160.05174	1.1
161.05968	2.2
161.09554	0.6
161.13303	0.5
165.05455	1.8
167.07056	3.9
169.06497	12.3
171.04395	4.0
171.07968	0.8
173.05971	5.9
177.05486	0.9
179.03430	0.7
181.04936	2.0
181.06433	0.9
185.05972	1.5
187.07535	6.9
189.05392	3.0
191.06999	1.0
192.07759	1.0
195.08273	0.6
196.05292	0.6
197.05978	100.0
198.06680	5.9
199.07585	2.5
203.07069	0.7
205.05074	0.7
205.08586	0.7
206.86426	0.5
207.06429	0.7
213.05440	0.7
215.07024	39.2
216.07397	1.0
217.05017	0.7
219.94395	0.5
223.07529	0.6
225.05473	5.5
233.08115	1.0
235.05949	0.7
243.06529	34.5
244.06764	0.7
245.07889	0.7
253.06973	0.6
261.07568	7.5
271.05988	0.7
277.08743	0.6
285.07492	1.2
295.09769	0.8
297.07434	1.4
299.09076	0.5
305.07642	0.5
315.08624	20.2
316.08945	0.7
316.85352	0.6
323.09149	1.3
337.06873	2.1
341.10172	2.0
351.08508	2.0
357.13251	1.7
359.11279	1.2
369.09714	9.4
369.14166	0.9
387.10596	29.7
388.10855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31644	0.9
55.05513	1.5
56.96560	18.4
60.83674	1.0
67.05508	1.7
69.03412	1.1
69.07045	1.1
69.43379	0.9
69.94402	6.1
79.05506	3.0
81.03425	1.3
81.07049	2.8
84.08083	1.4
84.96029	9.4
85.02863	1.2
86.09697	1.6
91.05488	3.0
93.07037	2.0
95.04983	1.4
95.08627	1.5
97.02823	1.3
98.97582	43.0
102.97063	1.8
105.07024	5.1
107.04978	1.7
107.08588	1.4
110.97580	9.6
112.99126	2.1
116.97803	2.1
116.98612	29.1
117.07029	1.2
119.08587	1.1
120.98067	0.9
122.03673	1.2
123.04412	1.2
126.97131	1.2
128.06166	1.0
128.98613	17.4
129.07011	1.7
131.00157	4.8
131.08562	2.8
134.99658	13.6
135.13145	1.1
137.05971	15.8
139.08830	0.9
140.98621	1.6
142.07762	1.2
143.00177	6.3
143.08551	3.0
144.98093	2.7
146.99632	11.6
149.01215	2.8
151.07573	2.0
152.98584	3.0
153.00714	1.6
153.06985	1.0
155.08601	2.4
157.10132	2.0
158.99669	11.3
161.01234	9.4
161.05995	1.2
162.99149	5.7
165.00778	2.0
167.07063	3.7
168.09288	1.1
170.99667	7.6
171.11708	1.9
173.01210	3.7
173.13268	2.1
175.06395	1.3
177.00702	17.4
179.02359	1.2
181.04999	3.7
183.11707	2.9
184.12144	1.0
185.13240	1.7
186.22324	1.1
189.00650	5.8
191.02274	2.2
195.01785	3.5
199.06459	3.2
201.00694	3.0
201.12769	3.1
203.07167	1.2
217.07460	3.2
219.01767	17.6
225.11021	1.8
229.12177	2.9
237.02805	44.4
241.07565	2.8
242.03566	1.1
247.13521	1.5
253.07591	2.4
254.61485	1.0
255.03920	4.5
301.09576	52.6
302.09946	1.8
319.10632	100.0
320.11087	5.4
342.12164	6.3
343.10507	13.0
343.13507	1.3
361.11725	12.6
362.11639	1.3
384.66818	1.1
387.09872	2.7
387.14307	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	385.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43697	2.2
54.91449	2.2
55.01876	2.7
55.05262	3.4
55.05512	52.2
57.03436	24.2
57.06819	4.3
57.07078	54.3
66.07413	2.4
67.05507	22.5
69.07067	73.5
70.32291	5.6
70.32683	4.2
71.05006	4.6
71.08630	35.1
79.05494	15.1
81.07059	36.6
83.04990	4.1
83.08623	45.5
85.06537	5.0
85.10188	15.2
91.05466	5.0
93.07058	19.4
95.08598	37.6
97.06548	15.9
97.10181	35.7
99.08117	2.6
107.08586	17.1
109.09525	2.5
109.10180	16.5
111.08096	10.5
111.11739	13.5
115.07572	3.4
121.10146	16.6
123.11706	4.9
125.09638	9.7
125.13279	4.1
129.09166	4.6
135.11667	14.2
137.13214	3.5
139.11200	7.9
148.15222	2.2
149.02324	2.9
149.13254	8.1
153.12764	6.5
163.14873	6.1
167.14299	5.5
177.16356	6.0
186.91241	2.4
203.30463	2.4
205.19473	3.9
274.07614	2.2
275.27368	8.3
293.28436	16.0
321.39905	2.8
324.32590	3.2
367.32047	14.4
385.29050	22.5
385.33148	100.0
385.63351	3.0
386.33792	5.4
408.08121	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.6
56.96563	1.4
57.03428	2.9
61.02913	5.3
69.03422	6.6
69.48601	1.5
70.06586	2.4
70.09003	7.0
81.03406	2.6
85.02421	2.1
85.02903	25.3
85.06548	1.5
92.86143	1.2
97.02879	7.4
99.04434	1.6
105.03366	1.9
106.06561	8.0
109.02859	3.3
118.06542	12.5
120.08089	5.7
123.04449	1.8
127.03918	3.6
130.06540	3.0
132.04451	29.9
132.08070	4.9
134.06012	100.0
136.07581	2.3
138.09138	3.0
140.96111	1.5
145.05003	1.6
146.06010	19.7
148.07582	1.6
158.06027	2.7
159.06749	7.5
160.07562	24.3
170.05998	2.4
176.07104	7.0
181.03403	1.6
182.03577	3.3
188.07056	85.8
189.07381	1.9
200.04562	2.6
206.08136	24.9
206.10005	1.7
212.07307	1.4
221.05110	2.1
223.04402	3.2
224.09160	26.2
224.11221	2.2
237.02695	2.0
242.08130	3.0
260.09149	3.2
278.10144	3.7
289.05069	1.6
296.11172	3.6
308.06876	4.3
309.05505	1.3
319.63202	1.5
386.14432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2735
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.03948	4.4
55.05508	27.1
55.16167	2.7
56.96564	5.6
57.03427	3.6
57.07074	6.8
59.60985	3.0
65.03928	3.1
67.05508	45.5
69.03426	5.6
69.07070	19.8
69.08054	2.8
71.49843	3.8
77.34381	2.8
79.05496	34.3
81.07059	100.0
83.04980	19.8
83.08614	9.1
85.06533	7.0
89.69036	2.7
91.05481	38.9
93.07040	77.7
95.04972	11.5
95.08604	96.1
97.06515	6.8
97.10152	4.6
105.06306	3.7
105.07030	57.2
107.08594	97.5
109.06501	9.8
109.10148	54.6
111.04482	3.6
111.08073	6.6
115.05474	3.9
117.07046	15.1
119.08580	63.6
121.06491	14.3
121.10148	57.6
123.08101	14.9
123.11710	22.3
125.05891	3.2
125.09593	4.6
128.06259	5.9
129.05513	3.2
129.06987	16.0
130.07747	4.7
131.08582	26.0
133.10133	38.0
135.08063	15.1
135.11697	37.4
137.05981	9.0
137.09627	9.1
137.13255	6.7
139.07529	5.1
139.11086	3.5
142.07773	11.6
143.08531	26.3
143.09354	2.4
144.09372	4.5
145.10103	36.5
147.08032	10.7
147.11696	34.0
149.02332	9.5
149.09602	14.4
149.13281	33.7
151.07558	21.6
151.11189	4.8
153.09114	2.8
154.07849	2.9
155.08568	9.0
156.09326	12.6
157.10138	34.5
158.10765	3.3
159.08052	8.5
159.11710	35.0
160.75754	2.7
161.09697	13.0
161.10915	2.7
161.13254	18.4
163.07472	3.2
163.11237	5.0
163.14833	14.8
165.09105	6.8
169.08650	3.6
169.10152	9.2
170.10818	7.8
171.08095	3.9
171.11685	19.3
172.08859	4.6
173.09634	13.2
173.13326	16.2
175.07664	3.1
175.11130	8.8
175.14801	8.1
177.09084	6.5
177.12753	4.3
177.16434	3.2
181.10094	5.8
182.10805	2.6
183.11685	12.8
183.29440	3.2
185.09558	8.1
185.13272	35.3
187.11179	11.5
187.14813	11.6
188.11977	3.3
189.12714	11.1
189.16322	5.9
191.10646	4.6
193.04996	5.6
195.10074	3.4
195.11681	4.5
196.12331	3.9
197.09586	5.9
197.13284	11.5
198.10411	4.5
199.11194	8.4
199.14870	6.3
201.12727	15.9
201.16400	9.8
203.10789	3.4
203.14340	12.4
203.17973	7.2
205.12280	4.9
209.13266	3.8
210.14153	3.0
211.14839	10.7
213.12718	18.7
213.16428	7.2
215.14255	6.7
215.17944	30.6
217.12119	6.1
217.15894	4.2
217.19481	6.5
219.13744	3.5
223.14897	4.2
225.12793	3.8
225.16444	5.2
227.14333	4.7
227.18019	4.6
229.15808	5.4
231.13797	27.6
231.17453	3.9
239.14313	6.2
241.15913	6.0
245.15274	3.3
249.14841	9.4
253.15974	3.2
255.20973	3.0
257.15363	4.3
267.21024	6.0
271.16898	3.4
279.18469	2.9
293.19174	3.1
299.20227	3.7
309.22101	5.7
311.20120	3.2
321.25812	10.0
337.25317	6.9
339.26770	9.5
349.25302	20.7
353.13882	5.5
367.26395	48.5
385.08887	5.2
385.27527	58.7
385.31888	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	385.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05510	14.9
56.96561	1.0
57.07074	3.7
58.07764	0.4
65.03928	1.8
67.05503	14.1
69.07067	25.6
69.62700	3.0
71.08633	0.6
75.85100	0.5
79.05502	2.8
81.07056	17.9
83.08142	0.8
83.08615	12.8
87.72599	0.4
91.04963	0.8
91.05479	9.8
93.07023	1.4
95.08604	18.8
95.22549	0.4
97.10157	7.5
98.97591	0.6
107.04971	3.0
107.08523	0.6
109.10155	8.6
111.11723	5.0
116.98629	1.6
119.04942	24.2
120.05241	0.6
123.11713	2.6
134.99622	1.6
137.13232	1.1
145.01715	0.6
147.04404	100.0
148.04716	1.6
153.00708	0.5
163.02776	6.3
163.04021	0.5
165.05478	21.1
166.05737	0.5
181.03848	5.1
183.44803	0.5
186.04364	1.0
186.47455	0.5
189.07033	0.5
205.03812	0.9
223.04918	1.3
251.08070	1.4
301.08823	0.5
315.14783	0.7
343.18127	1.2
385.29251	28.0
386.29651	0.6
403.20282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01863	16.0
55.05509	89.5
55.93261	4.3
56.96560	38.5
57.03447	23.8
61.89472	4.8
65.03925	4.7
67.05502	69.9
69.03410	8.9
69.07061	41.4
70.48515	4.1
71.00244	9.6
71.04982	9.9
71.08636	30.6
71.95275	4.9
79.05495	53.2
80.48399	3.9
81.03421	25.8
81.07055	75.1
82.35435	4.5
83.04977	37.5
83.08617	40.9
85.02908	8.3
85.06538	7.8
91.05485	37.5
92.42271	4.6
93.07038	47.9
95.04964	51.3
95.08602	37.6
97.02883	4.3
97.06532	28.4
97.10172	42.6
98.97556	32.1
99.04460	6.4
99.08089	20.2
105.07034	33.7
107.04961	15.7
107.08596	52.9
109.06509	11.0
109.10141	28.3
111.04452	25.9
111.08076	18.9
116.98637	35.4
117.07009	10.1
118.64310	4.2
119.08583	22.2
120.08123	5.0
121.06490	8.5
121.10136	19.7
123.08083	9.8
123.11761	6.8
125.09633	49.3
126.53027	4.3
128.06342	4.5
128.10699	11.7
128.98465	4.5
129.07043	5.3
131.08591	21.1
133.10100	17.2
134.99657	28.2
135.08058	11.2
135.11688	18.0
143.08611	6.6
145.10121	15.4
147.11678	12.7
149.02348	12.5
149.09610	12.4
151.11185	11.3
153.01868	22.8
153.09096	7.6
153.12767	7.8
156.10263	9.5
156.90446	4.4
157.10120	15.3
159.11662	9.5
161.13306	5.3
163.11185	34.2
165.12747	8.8
167.10732	5.9
169.10123	4.7
171.02875	13.4
173.09593	7.8
173.11789	6.8
173.13184	5.2
175.11212	6.3
177.12794	8.7
179.03375	6.3
181.12242	9.8
187.14732	7.7
189.11200	57.8
190.98602	17.2
191.10567	9.3
193.05043	11.5
193.12224	18.7
195.13776	14.1
199.06256	6.7
207.42009	4.8
211.13222	9.4
213.07941	12.4
217.07443	20.7
223.13277	14.5
227.12735	20.6
229.07390	21.1
229.14337	4.7
231.09039	19.3
232.99652	10.0
243.09021	8.9
247.08481	25.0
247.20621	6.0
251.06998	5.2
255.09026	16.5
255.49878	4.8
265.22211	4.1
273.10080	14.9
275.20050	30.9
285.09967	6.6
291.01263	5.0
293.21100	100.0
307.09747	9.2
311.22113	5.2
325.10715	7.3
331.18362	9.3
349.19836	83.3
349.23859	8.9
350.23395	7.6
362.18341	14.4
362.68680	4.8
367.24619	13.9
385.08310	6.8
385.13251	53.1
385.18610	41.1
385.25800	23.9
386.13202	5.9
386.20749	18.7
403.19992	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01863	16.0
55.05509	89.5
55.93261	4.3
56.96560	38.5
57.03447	23.8
61.89472	4.8
65.03925	4.7
67.05502	69.9
69.03410	8.9
69.07061	41.4
70.48515	4.1
71.00244	9.6
71.04982	9.9
71.08636	30.6
71.95275	4.9
79.05495	53.2
80.48399	3.9
81.03421	25.8
81.07055	75.1
82.35435	4.5
83.04977	37.5
83.08617	40.9
85.02908	8.3
85.06538	7.8
91.05485	37.5
92.42271	4.6
93.07038	47.9
95.04964	51.3
95.08602	37.6
97.02883	4.3
97.06532	28.4
97.10172	42.6
98.97556	32.1
99.04460	6.4
99.08089	20.2
105.07034	33.7
107.04961	15.7
107.08596	52.9
109.06509	11.0
109.10141	28.3
111.04452	25.9
111.08076	18.9
116.98637	35.4
117.07009	10.1
118.64310	4.2
119.08583	22.2
120.08123	5.0
121.06490	8.5
121.10136	19.7
123.08083	9.8
123.11761	6.8
125.09633	49.3
126.53027	4.3
128.06342	4.5
128.10699	11.7
128.98465	4.5
129.07043	5.3
131.08591	21.1
133.10100	17.2
134.99657	28.2
135.08058	11.2
135.11688	18.0
143.08611	6.6
145.10121	15.4
147.11678	12.7
149.02348	12.5
149.09610	12.4
151.11185	11.3
153.01868	22.8
153.09096	7.6
153.12767	7.8
156.10263	9.5
156.90446	4.4
157.10120	15.3
159.11662	9.5
161.13306	5.3
163.11185	34.2
165.12747	8.8
167.10732	5.9
169.10123	4.7
171.02875	13.4
173.09593	7.8
173.11789	6.8
173.13184	5.2
175.11212	6.3
177.12794	8.7
179.03375	6.3
181.12242	9.8
187.14732	7.7
189.11200	57.8
190.98602	17.2
191.10567	9.3
193.05043	11.5
193.12224	18.7
195.13776	14.1
199.06256	6.7
207.42009	4.8
211.13222	9.4
213.07941	12.4
217.07443	20.7
223.13277	14.5
227.12735	20.6
229.07390	21.1
229.14337	4.7
231.09039	19.3
232.99652	10.0
243.09021	8.9
247.08481	25.0
247.20621	6.0
251.06998	5.2
255.09026	16.5
255.49878	4.8
265.22211	4.1
273.10080	14.9
275.20050	30.9
285.09967	6.6
291.01263	5.0
293.21100	100.0
307.09747	9.2
311.22113	5.2
325.10715	7.3
331.18362	9.3
349.19836	83.3
349.23859	8.9
350.23395	7.6
362.18341	14.4
362.68680	4.8
367.24619	13.9
385.08310	6.8
385.13251	53.1
385.18610	41.1
385.25800	23.9
386.13202	5.9
386.20749	18.7
403.19992	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
55.05508	47.1
56.96564	14.8
57.03436	32.3
59.05005	7.8
67.05505	69.6
69.03397	7.2
69.07065	58.1
69.68259	37.8
71.04986	26.2
79.05482	78.7
81.03418	13.0
81.07062	84.1
83.04980	19.7
83.08625	20.9
85.02913	7.2
85.06541	30.1
91.05471	50.2
91.38869	5.9
93.07034	100.0
93.24274	5.2
95.04976	24.0
95.08604	70.8
97.06532	30.5
97.10178	22.7
98.97588	21.9
105.07043	57.6
107.08608	48.7
109.06527	19.2
109.10152	34.1
111.08096	22.6
116.98648	22.3
117.07029	20.1
119.08572	52.8
121.06538	6.6
121.10157	51.9
123.08044	13.7
123.11733	6.8
125.09679	12.4
129.07010	10.8
131.08571	30.5
133.10104	31.9
134.99670	16.0
135.08073	19.4
135.11700	13.7
137.09631	9.9
137.13176	5.5
139.11205	28.3
141.06964	6.6
143.08588	11.6
145.10112	23.7
147.11708	8.8
149.09641	15.7
149.13281	10.5
151.07590	8.2
151.11174	15.1
156.09315	7.1
157.10147	14.1
159.11700	20.5
161.13223	7.6
163.11192	11.2
171.11659	11.0
173.13286	15.3
175.11258	7.4
177.12708	9.7
181.10205	5.9
183.11699	11.6
185.13289	15.9
187.14857	14.3
187.43027	6.3
189.12672	8.6
190.98607	14.7
191.14204	6.6
203.12805	24.1
203.14467	10.9
208.99748	7.6
221.15387	6.7
241.14328	10.0
246.36479	5.9
257.19022	7.9
275.20026	96.1
293.21167	19.4
320.68250	6.1
339.50272	5.2
355.75760	6.5
367.25354	12.0
367.65533	6.4
385.23654	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
55.05508	47.1
56.96564	14.8
57.03436	32.3
59.05005	7.8
67.05505	69.6
69.03397	7.2
69.07065	58.1
69.68259	37.8
71.04986	26.2
79.05482	78.7
81.03418	13.0
81.07062	84.1
83.04980	19.7
83.08625	20.9
85.02913	7.2
85.06541	30.1
91.05471	50.2
91.38869	5.9
93.07034	100.0
93.24274	5.2
95.04976	24.0
95.08604	70.8
97.06532	30.5
97.10178	22.7
98.97588	21.9
105.07043	57.6
107.08608	48.7
109.06527	19.2
109.10152	34.1
111.08096	22.6
116.98648	22.3
117.07029	20.1
119.08572	52.8
121.06538	6.6
121.10157	51.9
123.08044	13.7
123.11733	6.8
125.09679	12.4
129.07010	10.8
131.08571	30.5
133.10104	31.9
134.99670	16.0
135.08073	19.4
135.11700	13.7
137.09631	9.9
137.13176	5.5
139.11205	28.3
141.06964	6.6
143.08588	11.6
145.10112	23.7
147.11708	8.8
149.09641	15.7
149.13281	10.5
151.07590	8.2
151.11174	15.1
156.09315	7.1
157.10147	14.1
159.11700	20.5
161.13223	7.6
163.11192	11.2
171.11659	11.0
173.13286	15.3
175.11258	7.4
177.12708	9.7
181.10205	5.9
183.11699	11.6
185.13289	15.9
187.14857	14.3
187.43027	6.3
189.12672	8.6
190.98607	14.7
191.14204	6.6
203.12805	24.1
203.14467	10.9
208.99748	7.6
221.15387	6.7
241.14328	10.0
246.36479	5.9
257.19022	7.9
275.20026	96.1
293.21167	19.4
320.68250	6.1
339.50272	5.2
355.75760	6.5
367.25354	12.0
367.65533	6.4
385.23654	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	385.2373
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
50.15237	3.2
50.36427	3.2
55.05504	8.0
57.07063	9.7
59.04986	7.8
61.69361	3.2
62.62848	3.5
65.13360	3.6
67.05503	9.2
69.03460	4.0
79.05493	10.0
81.07053	13.6
83.08585	5.5
84.08141	9.9
85.02872	5.0
85.06548	7.5
91.05477	27.8
93.07028	23.5
95.04939	7.7
95.08611	18.1
97.06535	7.4
98.21490	16.0
99.04400	4.1
103.05434	4.8
103.43755	3.7
105.07044	27.8
107.08604	28.4
109.06499	9.5
109.10158	7.0
111.04440	6.9
111.08080	14.2
114.42445	3.7
117.07027	9.0
119.08585	34.7
121.10141	10.5
123.08082	31.7
125.06058	3.8
128.06203	4.0
129.07007	4.4
131.08571	29.2
133.06499	7.5
133.10152	16.4
135.08080	12.0
135.11691	33.0
137.05962	20.9
143.08569	13.0
144.09334	7.5
145.10129	36.5
147.08064	12.5
147.11674	5.2
149.02328	7.1
149.09636	10.6
151.07535	81.7
157.10110	8.7
159.08063	18.8
159.11697	50.4
161.09644	11.0
162.10359	7.3
163.11220	29.7
165.09135	15.3
169.10123	6.9
171.11655	4.0
175.11076	4.9
177.09102	17.0
177.12778	30.3
187.11211	35.2
187.14722	4.0
189.12752	16.0
193.05049	5.7
203.14346	4.4
205.12251	55.6
207.13824	8.4
216.94823	4.0
221.15340	8.4
230.80403	5.5
247.16989	3.8
286.19324	17.4
311.16360	5.7
367.22656	12.1
385.23651	100.0
385.28339	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	385.2372
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.05513	8.2
57.07069	8.7
58.39656	3.5
58.96993	3.5
59.04998	5.8
67.05509	14.7
69.03424	9.0
69.07076	6.4
70.15971	16.0
71.05007	5.5
77.36604	4.4
79.05501	6.7
81.07056	16.9
81.69916	3.7
83.04955	6.4
83.08620	6.1
84.08137	49.9
85.06504	9.0
91.04987	5.0
91.05472	24.1
93.07052	27.5
95.04964	12.7
95.08612	17.3
97.06533	7.5
105.07014	32.4
107.08585	40.4
109.06535	11.6
109.10142	7.0
111.04415	9.2
111.08089	12.6
117.07001	10.6
119.08580	37.7
121.06533	8.6
121.10155	12.2
122.97096	4.5
123.08066	26.3
129.07007	11.1
130.07785	7.1
130.08636	4.3
131.08572	23.9
133.06482	9.7
133.10124	16.1
135.08067	12.9
135.11697	27.3
137.06017	20.6
137.09590	9.0
143.08566	13.0
144.09363	10.2
145.10135	37.6
147.08058	10.9
147.11607	5.8
149.02322	9.1
149.09665	13.9
151.07544	75.1
151.11142	5.2
155.10651	3.7
157.10185	8.5
159.08096	19.5
159.11685	37.5
161.09651	10.9
161.13200	6.2
162.10376	5.6
163.11208	25.4
165.09155	10.6
167.08493	4.5
169.10112	6.8
171.11656	9.8
172.08867	6.7
173.09706	4.5
175.11098	5.0
177.09105	14.3
177.12766	23.4
181.09995	3.9
183.11725	7.2
185.09625	3.8
187.11157	27.5
189.12753	15.2
193.05038	6.3
195.11670	3.6
199.11168	5.4
203.14355	7.4
205.12247	53.7
207.13733	7.0
213.12854	4.5
215.14348	4.0
217.04985	6.3
217.12215	4.7
221.15390	10.5
247.16821	6.0
286.19272	12.0
367.22797	11.4
385.09024	11.2
385.16299	7.0
385.18323	4.9
385.23700	100.0
385.28784	5.2
385.34338	8.1
386.23993	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.5
55.05494	12.9
57.03423	3.2
57.07069	11.7
59.04997	6.5
66.81384	2.1
67.05502	17.2
69.03409	7.7
69.07054	3.6
71.04993	7.3
71.60307	4.5
79.05478	14.9
81.07056	20.4
83.04975	5.2
83.08597	12.7
85.06517	9.0
87.04462	2.9
91.05466	28.0
93.07029	31.8
94.93541	2.3
95.04966	17.9
95.08607	24.2
97.06536	16.9
99.04438	5.6
105.06382	3.6
105.07034	44.9
107.04948	7.7
107.08591	42.8
108.08920	3.0
109.06516	16.3
109.10147	4.9
111.04431	7.5
111.08073	19.7
113.09669	3.7
115.05467	5.0
116.06226	2.7
117.07004	18.4
119.08572	46.4
121.06517	15.1
121.10172	12.6
123.08057	42.2
125.09633	7.7
128.06227	3.8
129.06998	10.6
130.07787	6.4
131.08565	44.3
133.06512	5.6
133.10112	18.6
135.08052	15.1
135.11690	37.1
137.05977	30.0
137.09598	6.2
139.07542	4.1
139.11191	4.1
141.07019	2.6
142.07756	5.1
143.08542	12.7
144.09317	9.7
145.06490	8.5
145.10112	53.2
147.08067	13.9
147.11662	7.2
148.27214	2.6
149.09631	14.7
151.07539	86.5
153.06970	2.3
153.09138	4.7
154.07735	3.8
155.08533	4.6
155.10614	4.2
156.09349	5.8
157.10130	15.0
158.07269	5.0
159.08060	24.2
159.11693	47.2
160.08777	3.2
161.09634	14.0
161.13326	4.5
162.10410	6.6
163.11160	36.5
165.09113	9.1
167.08556	3.9
169.10178	11.6
171.07991	3.0
171.11668	13.1
172.08841	5.8
173.09605	7.5
173.13251	6.5
175.11176	8.6
177.09105	21.4
177.12740	28.5
183.11656	6.7
185.13297	4.4
187.11169	32.4
189.12724	18.5
191.14336	7.4
195.11710	3.4
197.13249	5.8
199.11203	8.9
201.12758	4.4
203.14302	5.9
205.12239	60.1
207.13699	12.3
209.13452	4.0
209.15335	5.6
211.11331	2.9
213.12706	4.1
215.14253	3.6
217.12242	5.6
221.15384	10.8
225.12820	4.2
233.15424	5.0
235.14757	3.2
239.14130	3.5
243.13841	3.4
246.16124	4.7
247.17010	3.1
267.17453	3.1
277.13724	4.1
285.18326	3.3
286.19305	19.2
296.21350	2.9
299.19983	2.6
305.17474	4.8
309.18277	3.8
324.85120	2.5
325.21756	3.6
367.22690	12.4
385.23715	100.0
386.24011	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05507	12.3
57.07073	12.8
59.04998	10.9
65.99391	6.4
67.05509	16.4
69.03445	8.4
69.07082	8.4
71.04985	8.6
71.61456	8.7
79.05480	16.1
81.07053	26.7
82.03448	5.8
84.08125	13.4
85.06522	10.7
91.05466	31.5
93.07033	25.7
95.04961	10.3
95.08602	33.8
97.06521	5.8
105.07044	43.5
107.08599	40.8
109.06509	18.4
109.10130	7.4
111.08112	11.7
117.07040	21.6
118.24271	5.5
119.08562	46.2
120.73673	6.4
121.06544	11.1
121.10175	17.0
123.08086	41.8
129.06998	9.6
130.07784	6.5
131.08560	27.6
133.06477	8.4
133.10129	19.2
135.08067	17.6
135.11681	32.6
137.05962	30.8
143.08566	11.3
144.09322	12.4
145.06395	9.4
145.10107	58.4
147.08060	11.1
149.02377	10.0
149.09613	10.2
151.07526	97.3
151.11211	6.5
157.10081	10.3
158.07370	6.3
159.08066	19.3
159.11671	53.2
161.09630	12.5
162.10373	7.1
163.11255	36.8
165.09119	13.5
169.10095	6.5
171.11711	7.3
173.09499	6.1
173.13210	9.7
176.86931	7.1
177.09105	25.2
177.12712	30.5
178.35167	5.5
187.11189	35.6
189.12767	15.1
193.04988	6.4
197.13295	9.0
203.14322	8.5
205.12251	59.8
207.13782	9.9
217.12245	10.0
221.15343	8.1
226.94498	5.5
286.19357	12.2
367.22614	11.7
385.23584	100.0
385.28076	6.9
386.24130	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
54.68433	1.2
55.01871	100.0
55.05511	17.4
56.96551	5.0
57.03423	4.0
57.07071	1.2
59.04987	3.1
64.74058	1.0
66.77901	1.0
67.05503	34.8
69.03419	2.6
69.07071	14.3
70.33221	4.0
70.42912	0.9
71.04986	11.1
73.02896	1.4
79.05490	19.9
81.03399	2.4
81.07053	52.0
83.01365	5.7
83.04981	3.4
83.08612	9.0
85.02891	2.0
85.06539	6.4
87.04455	3.9
91.05476	21.8
93.07045	15.3
95.04962	4.1
95.08600	50.4
96.08912	1.8
97.02856	2.1
97.06532	13.0
97.10165	3.6
98.97598	2.5
99.04465	1.3
99.08080	3.9
101.02358	1.5
105.07027	16.9
107.04942	10.9
107.08604	7.2
108.05317	2.2
109.02880	1.4
109.06490	2.6
109.10155	6.5
111.00038	2.3
111.00801	41.5
111.08108	2.5
115.03922	6.7
116.98580	1.9
117.07014	3.4
119.08571	19.2
121.06483	1.6
121.10139	4.9
123.04401	1.5
123.08047	3.5
125.06036	1.1
125.09637	1.0
127.03876	1.2
127.07531	1.0
129.01863	3.0
129.07028	1.8
131.08566	1.2
133.10109	9.9
134.99652	1.6
135.07977	1.4
135.11639	5.5
137.06013	1.6
137.09615	2.5
137.13205	2.6
143.03395	25.2
143.08658	1.3
145.10103	1.8
147.11707	1.6
157.01366	2.1
159.11670	1.9
161.13252	20.3
169.10159	1.4
171.02884	46.3
173.11714	1.1
177.00769	2.0
179.14325	11.2
181.04930	1.1
195.13654	1.3
248.06013	1.0
265.14377	1.1
269.08307	1.3
289.14386	1.7
325.16528	2.1
367.17557	3.2
384.59808	3.1
385.18472	1.0
385.23550	4.4
385.29266	4.0
403.11496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05488	1.3
56.05022	0.9
56.96555	1.4
57.03432	0.8
60.04514	0.9
61.02911	1.3
67.05502	1.4
69.03419	3.1
69.07034	0.7
70.06245	0.6
70.06593	6.6
71.04967	1.4
71.59071	1.2
72.08146	3.4
73.02910	1.2
73.96207	0.5
79.05473	2.0
81.03409	1.7
81.07027	1.5
83.04968	0.8
84.08127	1.9
85.02905	6.6
85.06503	0.9
86.09694	4.2
87.05592	0.8
91.05463	2.3
93.07018	1.9
95.04964	0.8
95.08608	1.3
96.76363	0.6
97.02917	3.1
97.06539	1.1
98.97572	2.4
99.04421	0.8
105.07050	2.8
107.04934	0.8
107.08586	2.0
109.02871	1.2
109.06462	1.3
116.98611	2.1
117.07005	1.0
119.08552	2.5
120.08120	4.6
121.06509	2.1
121.08434	2.1
121.10123	1.6
121.32490	0.6
123.08035	1.1
125.06013	0.7
127.03899	2.5
129.10185	1.0
131.08572	1.9
133.10124	5.2
135.08023	1.1
135.11693	0.8
137.05959	1.4
137.09619	0.8
143.08517	0.9
144.08040	1.2
144.14496	0.6
145.04936	0.7
145.10103	1.6
146.99648	0.9
147.08020	0.7
147.11668	1.1
149.05933	0.9
149.09651	1.0
150.05811	0.6
151.11198	0.8
158.99629	0.9
161.01411	0.6
161.05977	0.7
163.07390	0.6
163.09793	0.5
163.11182	2.7
167.07051	2.7
171.11566	1.0
173.13281	1.0
175.07478	0.7
177.00711	1.0
181.04930	0.8
187.11139	1.4
189.12679	0.8
191.14249	1.1
205.12215	6.8
206.08121	1.0
207.11223	3.1
208.11609	5.2
219.01717	1.5
223.09409	0.7
223.13336	5.2
229.15482	1.5
237.02876	0.8
241.07358	0.7
279.03970	1.1
281.08505	0.8
283.08832	0.7
299.32742	0.6
313.12582	22.9
314.13000	0.6
385.14157	3.6
385.18295	100.0
386.18698	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	385.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71493	1.7
53.03964	2.0
55.01872	4.4
55.05517	3.8
55.46642	1.6
56.96555	2.3
57.03427	3.2
58.99583	5.4
60.44226	1.5
61.00871	2.6
61.01150	31.7
61.02893	1.5
67.05497	7.4
69.03423	7.1
69.07075	2.0
69.78326	11.2
70.02958	2.0
70.06593	10.3
71.05000	3.6
72.08144	3.6
73.02917	7.1
79.05503	8.7
81.03423	4.9
81.07065	14.2
83.04973	3.4
84.04520	1.6
84.08132	5.7
85.02905	18.0
86.09715	10.4
86.99039	3.4
87.05585	2.4
88.04002	1.9
89.00619	38.9
91.05481	32.3
93.07052	14.9
95.04964	6.8
95.08627	5.7
97.02901	6.9
97.06536	2.7
98.97608	2.6
99.04436	3.3
103.05499	2.8
105.00095	2.3
105.07029	29.2
107.04949	3.7
107.08584	7.1
109.02853	2.9
109.06506	3.6
109.10135	3.0
115.05460	7.0
116.06259	2.3
116.07073	3.9
116.98618	3.0
117.07008	32.2
118.13232	1.6
119.08591	16.4
121.06509	3.1
121.10157	4.8
123.08085	3.0
127.03924	2.2
128.06232	11.3
129.07010	28.4
129.10219	3.7
130.07797	5.4
131.08571	29.4
132.99522	4.8
133.06380	2.3
133.10144	4.4
134.99692	2.5
135.04424	2.1
135.08081	3.8
135.11700	2.5
137.06006	6.3
137.09639	5.2
141.07025	5.6
142.07820	8.5
143.08557	68.6
144.09184	2.6
145.05002	2.5
145.06506	6.2
145.10124	73.3
147.02634	2.4
147.08066	6.9
147.11696	13.3
149.05994	2.9
149.09584	2.3
151.03906	3.1
151.07576	1.9
153.06876	2.0
155.08577	10.8
156.09335	10.9
157.06456	2.8
157.10138	12.8
158.07254	2.6
159.08073	3.9
159.11714	9.5
161.06001	6.5
161.09653	3.8
161.13188	2.0
162.03268	1.7
163.07616	3.3
163.11201	9.4
165.06966	3.5
165.12761	1.6
166.07797	3.6
167.07036	7.1
167.08328	2.0
169.10162	5.7
171.08067	4.7
171.11694	100.0
172.12202	3.6
173.09615	14.4
173.13261	14.4
175.07579	6.5
175.11221	8.9
177.00685	2.2
177.09035	2.5
181.04973	4.4
181.10117	15.3
183.11768	2.8
184.08765	2.2
185.09561	2.4
187.11156	21.4
189.09065	2.4
189.12729	11.2
191.10663	5.5
199.11189	31.4
203.08820	2.0
205.12234	19.1
206.13020	1.6
215.10658	5.0
217.12242	71.1
223.09528	2.3
223.13297	31.2
227.10686	14.9
231.08368	2.4
233.11719	2.3
237.02917	2.3
245.11740	13.7
257.09976	2.2
264.08002	2.0
277.08972	4.5
293.12140	10.4
295.09830	2.2
303.10519	2.7
321.11523	11.1
329.44427	1.7
339.12598	18.7
349.11136	6.9
355.11945	2.8
367.12228	10.6
385.13144	27.1
385.18283	6.0
385.22577	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	385.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01858	7.1
55.05499	8.0
56.96545	2.8
59.05005	1.7
65.03937	1.5
67.05513	13.0
69.03433	11.2
69.07048	4.1
69.77836	10.2
70.06577	3.2
71.04971	4.7
73.02895	6.0
79.05496	19.1
81.03397	4.4
81.07054	45.5
83.01307	1.3
83.04980	4.0
83.08605	2.0
85.02901	16.2
85.06538	23.2
87.04437	2.0
89.06011	2.2
91.05475	36.9
93.03368	1.8
93.07040	26.4
95.04949	7.7
95.08601	13.0
97.02888	4.8
97.06525	5.8
99.04433	2.8
99.71162	1.4
103.05476	7.2
105.07033	42.9
107.04940	6.3
107.08569	10.4
109.02882	4.5
109.06500	5.4
109.10108	4.5
111.04440	1.6
111.08076	10.2
115.05464	8.1
116.06224	2.3
117.07017	31.8
119.04948	5.7
119.08576	20.2
121.06483	7.0
121.10134	6.6
121.31470	1.5
123.08083	1.6
125.05975	2.2
127.03897	3.8
128.06226	13.0
128.98662	1.8
129.07005	27.9
130.07797	2.3
131.04913	4.2
131.08571	39.4
133.06503	3.3
133.10112	6.1
135.04420	3.4
135.11723	2.4
137.05986	5.2
137.09598	2.0
141.06966	22.8
142.07784	18.0
142.93927	7.8
143.08551	33.8
144.09299	3.4
145.04951	1.5
145.06477	9.7
145.10115	33.7
147.08022	3.3
147.11676	12.8
149.05954	5.8
149.09593	3.0
151.03925	4.5
151.07529	2.3
153.06998	10.5
154.07745	5.2
155.06012	1.7
155.08559	43.9
155.09846	2.5
156.09230	3.3
157.10115	30.2
159.04402	3.3
159.08080	7.7
159.11682	16.2
161.06026	2.8
161.09558	1.8
161.13214	3.0
163.07524	3.5
163.11194	5.1
165.06903	2.4
166.07709	3.2
167.07045	11.0
167.08487	3.2
168.09351	32.4
169.10066	8.2
171.08122	2.5
171.11670	25.0
173.05962	1.9
173.09692	7.9
173.11748	2.2
173.13261	40.8
175.07506	2.8
175.11154	5.2
178.07770	3.5
181.04945	2.7
181.10060	7.9
183.08122	3.1
183.11685	100.0
184.12029	2.6
185.09621	5.1
185.13260	5.8
187.07571	5.4
187.11159	5.6
189.09145	5.3
193.10075	10.8
196.08797	2.7
199.11162	10.4
201.09099	6.3
201.12746	56.3
203.14276	2.3
205.08798	1.9
205.12263	3.2
211.11166	20.2
217.12254	6.1
219.13890	10.8
223.13481	3.0
223.16940	6.4
229.12224	77.8
230.12703	3.1
247.13289	36.3
358.64883	1.8
367.12009	2.9
385.12738	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	385.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.19745	0.8
55.01857	2.7
55.05508	1.9
56.96549	1.0
58.58097	0.9
58.99577	5.0
60.89249	0.9
61.01147	31.1
65.03949	1.8
67.05505	2.8
67.16368	0.9
69.03418	1.3
69.07061	1.2
70.96452	2.3
73.02921	4.6
79.05486	7.4
81.07056	10.6
86.99039	3.5
89.00613	43.4
91.05478	19.7
93.07026	5.5
95.04963	2.4
95.08578	1.9
98.97668	1.0
103.05494	1.3
105.00093	3.3
105.07022	20.8
107.04979	1.7
107.08594	1.5
109.06545	1.3
114.89301	0.9
115.05424	4.7
116.06210	1.6
117.06205	1.8
117.07011	29.6
118.99043	0.9
119.04921	0.9
119.08585	10.2
121.06497	1.7
121.10127	1.1
128.06200	9.4
129.06995	23.3
130.07826	6.6
131.08569	25.3
132.99553	3.0
133.06476	1.8
135.01070	1.7
135.04391	1.5
135.08072	1.2
137.05951	4.8
141.06960	4.8
142.07777	8.0
143.08556	64.5
144.09193	1.0
145.06491	2.1
145.10115	77.1
146.10449	1.8
147.08032	3.9
147.11682	8.6
149.05969	2.1
151.07520	1.2
154.07802	1.2
155.08553	9.5
156.09338	9.5
157.06482	2.7
157.10133	14.9
158.07321	1.5
159.08060	1.1
159.11717	7.1
161.04124	1.4
161.05977	4.6
161.09630	1.7
161.13196	1.5
163.07555	1.4
165.07019	2.1
166.07767	5.7
169.10094	5.0
171.08035	3.8
171.11679	100.0
172.12180	2.0
173.09612	5.8
173.13260	15.5
175.07524	3.5
175.11249	2.1
175.14777	1.0
181.10103	12.0
183.11711	1.9
184.08829	2.0
185.09660	1.3
187.11169	24.5
189.12782	5.1
191.10649	3.1
195.11752	1.1
197.09627	1.4
198.43089	1.0
199.11171	26.9
203.08899	2.1
203.10677	1.1
205.12231	10.3
209.09744	1.1
215.10718	3.0
217.12234	72.7
218.12599	1.4
223.13022	1.1
227.10663	10.3
229.10416	2.9
231.08334	1.5
233.11656	2.0
245.11697	9.2
247.11613	1.2
249.09282	1.0
259.07837	1.3
275.10986	3.2
277.08939	2.6
293.12042	11.1
303.10382	1.6
321.11569	7.4
339.12616	20.4
340.13074	1.3
341.87735	1.0
349.10773	1.2
367.12024	4.0
385.12912	15.0
385.17828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.0
60.55162	0.9
69.79014	5.1
70.32487	0.8
91.33772	0.7
98.21512	0.8
98.97579	29.8
99.97889	1.0
116.91346	1.0
116.98618	40.9
117.98965	0.8
119.01917	5.1
134.99655	40.9
136.99207	1.4
137.02966	2.7
153.00716	9.1
158.01285	1.1
177.00941	13.2
178.01114	1.2
184.86992	0.8
217.04062	2.7
218.98816	1.1
219.02025	23.7
219.04176	1.2
220.02159	2.4
221.01866	2.1
225.00984	2.8
234.99928	2.4
235.99994	1.3
236.99725	2.7
240.98787	1.1
242.98563	1.8
243.02048	4.2
253.00969	1.0
255.00818	1.1
258.99796	16.4
259.99979	5.8
260.99762	17.7
261.03073	100.0
262.00067	1.8
262.03214	4.0
263.03012	1.8
264.99411	0.9
274.97556	1.4
276.95242	0.7
276.95840	0.7
276.97812	1.7
277.00836	36.3
278.01004	12.4
279.00629	41.8
280.00983	3.6
283.00055	4.8
284.00266	2.6
284.04590	2.1
284.99802	10.5
286.00012	2.7
292.98700	1.0
295.01923	1.0
301.00974	12.3
302.01111	8.2
303.00864	29.7
304.00998	6.4
321.01978	2.7
338.16165	0.8
343.02322	3.7
344.02200	1.2
345.02441	1.0
351.87686	0.8
360.01471	0.9
361.01379	6.9
367.02200	1.6
379.02179	4.9
385.03412	11.7
398.97775	2.6
403.00320	5.4
403.04224	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	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01868	6.7
56.96563	0.9
57.03430	5.3
57.07062	2.5
61.02933	6.1
61.12056	0.9
63.04478	0.8
68.99780	2.6
69.03429	33.5
69.03810	1.8
70.06574	0.9
70.50948	3.0
70.51313	1.1
71.04988	3.8
73.02918	7.4
81.03417	22.9
81.07051	1.2
85.02903	100.0
86.03208	1.2
87.00826	40.5
87.04478	1.9
91.03947	3.1
93.06994	1.0
97.02889	37.9
98.20868	1.2
99.04451	13.9
105.01865	71.6
107.04995	1.1
109.02879	29.2
115.03919	0.9
116.96700	0.8
117.01841	3.5
118.78013	0.8
119.10692	3.7
123.02872	0.9
123.23819	0.9
127.03915	69.9
128.06137	0.9
129.01845	3.1
129.06924	1.0
134.36320	0.8
137.06071	1.1
145.04959	32.2
145.10106	1.3
147.02882	2.0
153.05435	4.4
156.49374	0.9
159.02884	15.6
171.11717	1.0
177.03918	1.0
179.02185	0.8
182.05005	1.4
189.03940	3.5
201.03983	1.1
207.37251	0.9
213.03973	4.6
231.04988	20.5
238.64398	0.9
241.07552	0.8
243.09027	0.9
249.06081	5.2
275.06729	1.1
301.95731	0.8
384.14499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05510	4.0
56.05039	2.0
56.96556	2.8
58.99564	3.2
59.38978	1.5
60.04525	2.4
61.01157	2.0
67.05494	6.6
69.03435	3.8
69.07059	4.3
70.06591	10.2
71.59380	2.3
72.08146	2.8
73.02921	11.9
74.00670	2.1
75.93878	1.6
76.02212	5.1
79.05504	9.6
81.07052	19.4
83.08630	2.0
84.08130	2.1
85.02905	5.0
86.00663	2.6
86.09698	5.2
87.05599	2.1
88.02222	14.6
88.03990	34.2
91.05474	29.5
93.07041	15.2
95.04958	2.9
95.06058	1.9
95.08598	4.0
97.01098	5.7
98.97539	2.2
103.05478	3.2
104.05281	2.6
105.01838	1.7
105.07029	39.3
107.04935	1.8
107.08593	5.9
110.07168	5.1
111.02659	1.8
115.05450	3.6
116.06241	2.9
116.98586	2.7
117.07022	30.5
117.81020	1.8
119.08592	21.0
120.08107	16.5
121.06525	1.5
121.10089	2.8
122.02726	14.4
128.06216	12.1
129.07014	30.0
130.07768	6.5
131.08565	40.3
132.01125	4.3
133.06487	4.0
133.10175	9.0
134.02708	3.3
135.02611	2.8
135.04375	1.5
135.08083	2.0
135.11702	1.6
136.07578	1.9
137.05945	4.0
137.06998	2.2
141.07054	8.1
142.07764	5.9
143.08560	56.2
144.08020	2.2
144.09235	2.9
145.06509	3.3
145.10123	100.0
147.02657	10.5
147.08038	4.2
147.11685	15.1
149.04173	3.8
149.05971	2.1
150.05881	2.3
151.07544	2.0
153.06935	3.0
154.07790	4.8
155.08521	13.4
156.09309	13.9
157.06505	3.7
157.10121	12.1
159.08063	4.4
159.11726	3.8
161.04218	15.5
161.05925	2.9
161.09540	2.2
162.09186	3.5
163.05774	7.8
163.07593	2.8
165.06944	1.9
166.07787	3.4
167.08557	2.2
169.10121	20.5
170.10777	2.7
171.08054	6.7
171.11678	58.6
172.12180	2.9
173.09634	11.8
173.13263	64.9
174.13510	2.7
175.05885	3.2
175.07562	6.3
175.11197	2.9
175.14816	7.2
177.09096	21.8
181.10121	15.4
183.08087	2.0
183.11722	5.1
184.08904	2.2
185.09592	2.8
187.11198	6.4
189.09129	1.9
189.12735	2.4
191.10661	2.0
197.09592	2.8
199.11179	47.4
201.12706	12.8
203.08897	31.7
203.10667	3.6
205.10489	7.8
207.04814	2.5
207.11302	13.4
209.06393	9.1
209.09618	1.9
213.07257	2.7
215.10785	4.4
217.10194	2.4
217.12251	37.2
218.12672	2.5
219.13820	17.9
221.09900	3.6
227.10658	15.6
231.08394	6.7
233.09891	4.1
235.10640	2.8
245.11754	16.4
249.09460	33.5
251.11064	9.3
259.07974	2.5
263.12778	16.2
275.10916	3.5
277.08893	18.7
292.13568	2.2
295.10007	36.4
313.10950	2.1
320.13123	14.8
322.14853	3.9
338.14255	23.5
340.15985	4.8
348.12686	5.9
366.13794	6.3
367.12024	10.9
384.14743	79.7
385.14697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01866	5.1
55.05495	3.4
57.03423	2.7
58.99586	2.5
61.01144	1.6
63.02388	1.2
66.72923	1.4
67.05500	4.3
69.03423	3.0
69.07099	1.4
70.02962	2.4
70.06590	3.3
70.11005	5.7
72.08145	1.6
76.02207	2.5
77.03945	1.2
79.05493	10.7
79.65195	1.6
81.03423	1.8
81.07053	6.5
83.04973	5.0
83.06093	1.4
85.01124	1.8
85.02905	3.9
87.04452	1.7
88.02219	8.6
88.03990	73.0
91.05480	18.5
92.09415	1.3
92.45770	1.2
93.07027	9.2
95.04970	5.1
95.08581	1.9
97.01114	3.9
97.02892	1.9
97.06523	3.7
98.20725	1.4
103.05514	1.6
105.07024	18.9
105.90069	1.2
107.04975	3.7
107.08585	4.0
109.06506	3.7
110.07166	11.2
115.05434	5.6
116.06262	1.4
117.07014	24.3
119.04923	2.3
119.08579	13.3
121.06506	4.5
121.10115	2.3
122.02734	6.0
123.02647	1.9
123.08097	1.8
128.06213	10.6
129.07005	18.1
130.07777	3.3
131.04958	2.3
131.08559	18.3
132.01128	1.6
133.06505	6.8
133.10136	4.4
135.02655	3.8
135.08072	4.9
135.11656	2.4
137.04158	1.9
137.05981	1.8
141.06992	8.4
142.07784	8.3
143.08560	25.6
144.09435	1.5
145.06482	9.7
145.10118	57.0
146.07253	3.3
146.10538	1.6
147.02637	2.9
147.04430	1.8
147.08044	10.6
147.11673	2.0
149.04230	5.7
149.05969	2.0
149.09564	2.4
151.03946	1.2
151.05785	1.8
153.07027	4.2
154.07791	4.2
155.08542	19.8
156.07777	2.5
156.09361	6.0
157.06482	2.1
157.10110	12.5
158.07288	3.0
159.08046	9.1
159.11720	3.3
161.04170	6.9
161.09505	5.6
163.05739	2.9
163.07666	1.5
163.11191	5.5
165.03741	1.7
165.07085	7.0
165.09108	1.6
166.07777	3.3
167.08641	3.0
168.09317	2.6
169.10132	11.1
170.10829	2.3
171.08043	20.2
171.11682	13.1
172.08850	3.6
173.04237	1.4
173.09622	54.3
173.13278	4.4
174.10284	3.8
175.05804	3.7
175.07385	1.4
175.11125	5.7
177.07336	1.5
178.44804	1.3
179.08546	3.6
180.09264	2.0
181.10092	8.5
183.08173	1.8
183.11681	7.5
184.08871	3.2
185.04195	1.6
185.09663	5.4
187.05824	3.5
187.11198	6.4
189.03740	2.5
189.07318	3.4
189.09097	1.8
189.12776	3.5
191.05260	2.1
191.10652	8.6
197.09637	8.1
198.05009	5.1
198.10349	2.1
199.11148	12.6
201.12721	9.4
203.08891	7.8
203.10788	3.2
205.06833	2.8
205.10413	1.9
209.09579	2.0
213.07359	8.3
215.08813	2.1
215.10718	4.6
217.12282	5.5
221.06522	1.6
221.09990	2.0
227.10684	8.0
231.08359	12.5
233.09915	2.0
245.11658	9.0
249.09468	9.4
257.09995	1.8
259.07901	3.4
272.79044	1.3
275.10965	2.0
277.08929	66.3
278.09473	1.6
279.10498	4.1
289.91904	1.3
295.09985	100.0
296.10284	2.8
297.11581	2.0
320.12988	2.5
322.29410	1.4
338.14209	26.0
338.20767	3.4
348.12875	2.2
366.13712	2.7
367.12085	29.9
368.12256	1.7
384.14749	99.3
384.21140	12.0
385.15103	2.9
393.23770	1.3
400.40482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01857	7.7
55.05503	5.1
56.96574	5.7
57.03426	3.0
67.05505	4.2
69.03418	9.3
70.02945	4.4
70.06577	12.1
70.20710	11.3
71.04987	3.9
76.02207	3.7
79.05479	11.0
81.03425	4.6
81.07037	6.4
83.04951	4.1
84.08146	4.9
85.02898	18.5
85.58791	2.5
86.09699	7.5
87.04447	3.5
87.90162	2.6
88.02220	8.3
88.03992	81.7
91.05063	2.3
91.05492	26.6
93.07040	11.8
95.04967	9.2
97.01104	4.6
97.02877	5.7
97.06523	2.7
99.04406	3.3
105.07025	28.7
107.08587	5.7
109.06552	3.2
110.07175	8.5
115.05466	10.1
116.06244	3.4
116.07040	2.6
116.98616	5.9
117.06997	28.3
119.07065	4.3
119.08569	11.3
121.06503	3.0
122.02723	3.3
126.65382	2.4
128.06232	13.7
129.07001	20.4
130.07785	5.1
131.04868	2.9
131.08572	20.8
133.06497	11.2
133.10095	3.6
135.02603	3.1
135.08060	7.0
135.11729	3.7
137.04237	3.3
137.06009	3.9
141.07016	5.9
142.07759	8.0
143.08554	32.7
144.09297	3.5
145.06462	12.6
145.10118	56.5
147.02620	3.4
147.04417	6.6
147.08037	11.3
149.04143	4.2
151.03864	3.8
152.12735	3.0
154.07762	7.5
155.08533	14.4
156.09332	7.6
157.10124	12.8
158.07271	5.5
159.08049	8.0
159.11710	5.8
161.04225	6.3
161.05966	6.3
161.09569	7.8
163.07463	3.3
163.11198	8.7
165.07022	5.2
166.07703	4.4
167.08580	3.6
168.09241	3.8
169.10097	9.4
171.08041	25.5
171.11737	16.6
173.09616	55.1
173.13176	4.9
175.05821	5.1
175.07582	3.5
175.11151	5.3
178.53268	2.7
181.10097	8.8
183.11685	5.4
185.09578	4.8
187.11217	6.1
189.09125	3.9
191.10667	6.6
197.09610	9.8
198.04967	5.0
199.11192	14.7
201.09084	3.8
201.12715	10.7
203.08852	8.6
205.10762	3.0
213.07350	5.6
215.10660	5.4
217.12340	5.2
223.09657	8.7
227.10652	7.9
231.08380	9.0
245.11685	9.6
249.09348	10.7
277.08923	64.0
295.09988	94.1
296.10361	3.4
320.12961	3.5
338.14230	24.4
367.12161	31.9
384.14740	100.0
384.20822	4.5
385.14972	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	384.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01870	7.3
57.03421	7.0
58.02941	5.3
59.25621	1.2
61.02910	6.4
68.99782	3.2
69.03078	2.1
69.03428	38.1
69.03803	2.0
70.06572	2.3
70.20181	3.6
70.20602	2.4
71.04977	3.9
73.02904	4.8
79.05471	1.9
81.03411	24.9
85.02900	100.0
86.03218	1.6
86.09719	1.1
87.00825	31.2
87.04445	1.3
91.03928	2.0
91.05471	8.2
95.09438	1.1
97.02884	20.3
97.05239	1.2
99.04453	11.5
101.02412	1.5
105.01858	29.8
105.07000	1.8
109.02877	24.5
117.01888	1.9
118.06517	4.1
119.07303	15.3
120.08062	3.5
122.16768	1.1
127.03912	59.2
129.01820	3.4
131.30516	1.4
136.07573	75.7
145.04938	19.3
147.02863	3.3
159.02893	15.8
189.03917	3.1
191.61879	1.4
213.04059	1.8
231.05000	7.4
263.33667	1.3
295.31699	1.4
367.12848	3.0
385.13977	1.8
401.32416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1473
Annotation	AMG-208
Peak:m/z	Relative Intensity
51.02389	1.4
53.03938	2.0
55.01876	2.8
55.05489	3.8
56.96526	1.5
58.99564	3.5
61.01119	1.6
67.05492	5.5
69.03426	1.2
69.07053	2.3
70.02935	2.2
70.06576	1.4
71.31285	2.2
73.02607	1.2
73.02916	12.5
73.99775	1.1
76.02217	4.9
78.48764	1.0
79.05479	10.6
81.07057	13.9
82.28622	1.1
83.08589	1.4
85.01127	1.6
85.02902	1.7
86.00635	3.9
86.99018	1.2
88.02220	17.6
88.03988	41.0
88.04531	2.1
91.05473	28.1
93.07040	14.0
95.04959	2.2
95.08598	4.3
97.01090	3.4
100.02191	1.4
101.92581	1.1
103.05460	2.4
103.23351	1.1
105.00063	1.9
105.07027	38.3
107.04963	2.5
107.08588	5.6
109.06536	1.5
110.50633	1.2
115.05442	4.5
116.06229	2.4
117.07015	32.6
119.04949	1.4
119.08576	23.0
120.01083	1.3
121.06529	2.8
121.10125	3.3
122.02726	9.3
123.02666	1.8
127.90972	1.2
128.06226	12.9
129.06995	27.8
130.07758	6.1
131.08562	45.5
132.01161	6.9
132.09335	1.5
133.06477	3.1
133.10109	5.4
134.02742	2.2
134.77803	1.2
135.02647	2.8
135.07990	1.9
135.11818	1.1
136.49287	1.1
137.04210	1.4
137.05968	3.0
139.07593	1.6
141.06938	6.6
142.07771	8.0
143.08554	66.9
144.09337	2.8
145.06480	2.7
145.10114	100.0
146.10393	1.6
147.02623	13.3
147.08046	3.9
147.11674	16.1
148.03229	1.2
149.04196	3.8
153.07028	3.1
154.07762	5.0
155.08571	13.6
156.09340	13.0
157.06499	4.3
157.10115	12.8
158.07269	1.4
158.10791	1.9
159.08047	5.0
159.11711	7.7
161.04196	13.6
161.06001	1.7
161.09584	1.2
163.05759	7.2
163.07559	2.4
165.07043	2.0
166.07764	4.6
167.08501	2.0
168.09424	1.8
169.10115	22.6
170.10844	3.6
171.08049	3.9
171.11684	71.3
173.09656	11.4
173.13257	72.0
174.13571	1.3
175.05827	2.7
175.07527	4.3
175.11217	2.0
175.14838	8.6
176.03809	1.3
177.07521	2.2
177.09088	25.8
181.10104	11.1
183.11702	5.5
184.08807	2.7
185.09564	2.8
187.11185	7.3
189.12811	4.4
191.10693	1.7
197.09618	2.9
198.04955	1.5
199.11168	39.3
200.11748	2.4
201.12709	10.9
203.08885	27.8
203.10553	1.4
205.10434	5.4
207.04742	1.9
209.06297	11.7
213.07341	1.9
215.08864	1.2
215.10675	4.5
217.12241	34.1
219.13708	6.9
221.09940	3.0
227.10641	15.6
229.10396	1.5
231.08426	7.3
233.09888	3.2
245.11732	14.3
249.09425	34.9
251.10968	8.9
257.10013	1.9
263.12762	3.2
274.12585	1.4
275.10938	2.3
277.08868	10.0
292.13660	3.7
295.09949	21.5
297.11502	2.2
313.11115	2.1
320.13174	12.6
338.14188	27.2
348.12701	3.9
366.13739	5.4
367.12033	11.9
382.69611	1.3
384.14740	82.8
385.15277	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01840	1.6
57.03436	2.8
61.02900	0.6
69.03403	1.4
70.02950	0.3
70.72528	0.9
71.01334	1.0
73.02879	1.0
84.17049	0.3
85.02876	1.4
90.62329	0.3
97.02880	0.7
99.00792	0.7
106.57072	0.3
115.03888	0.5
115.43392	0.5
119.03560	0.9
121.05076	1.4
133.04915	0.7
135.06631	2.0
136.06178	21.8
137.04568	0.8
148.06172	7.2
155.05629	0.5
160.06184	1.0
161.04591	0.4
162.07748	38.1
163.07994	0.4
164.05730	0.5
171.56140	0.3
184.13533	0.3
188.05670	15.8
192.05161	19.4
206.06728	7.2
216.05237	0.7
234.06226	11.7
252.07272	100.0
253.07645	2.2
361.72812	0.4
384.11490	21.4
385.11853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.9
55.01862	12.6
55.05502	24.8
56.96553	7.3
57.07071	14.9
59.04975	10.2
67.05499	72.6
69.03421	16.7
69.07069	29.3
71.04975	19.3
71.59808	8.7
79.05482	38.2
81.07059	78.6
83.04974	13.4
83.08617	20.1
87.04485	8.6
91.05486	50.9
91.64884	6.1
93.07030	93.0
95.04974	28.2
95.08599	80.2
97.06516	9.7
102.99596	6.7
105.07020	100.0
107.08579	66.7
109.06500	20.0
109.10155	73.6
111.08089	24.1
117.07001	12.9
119.08561	64.7
121.06429	6.9
121.10144	74.1
123.08071	18.1
123.11685	12.7
127.11191	35.2
129.06984	11.1
131.08524	34.4
133.06421	6.9
133.10123	58.4
135.08061	14.8
135.11673	42.0
137.09607	12.0
142.07765	21.2
143.08536	21.9
145.10100	47.7
147.08047	17.7
147.11667	44.6
149.09595	19.8
149.13283	23.6
151.07521	37.3
155.08539	7.8
156.09322	7.6
157.10153	35.1
159.11702	33.0
161.09563	14.7
161.13245	53.7
163.14844	12.1
165.09116	30.9
170.10870	8.6
171.11716	13.4
173.09590	7.1
173.13246	14.8
175.11122	14.6
175.14842	30.7
177.09157	11.1
177.87437	6.7
183.11583	10.0
185.13284	17.4
187.14825	17.8
189.12729	9.8
189.16278	7.4
191.14337	9.8
191.24632	6.6
201.16353	16.6
203.14294	28.4
203.18031	7.5
207.13724	7.9
213.04475	8.7
215.17924	12.8
217.12167	7.7
217.19615	7.3
221.15329	64.2
227.17932	7.8
234.16136	11.7
255.21219	9.8
281.18857	6.8
287.19861	9.3
297.25760	10.1
315.99933	7.8
365.24551	12.5
365.32053	20.3
383.25626	49.9
383.33139	66.7
384.25848	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	383.3308
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
53.03949	2.4
55.05504	16.4
57.07069	4.1
58.27839	1.5
64.63145	1.7
65.03920	3.2
67.05504	41.1
69.07067	20.7
70.55117	4.5
71.08640	1.8
79.05495	24.9
81.07057	85.6
83.08632	12.9
91.05482	19.7
93.07047	56.2
95.04964	4.3
95.08606	100.0
96.08968	1.9
97.06519	2.4
97.10189	4.6
105.07032	47.9
107.08598	76.3
108.08974	1.7
109.06532	3.6
109.10157	47.3
111.08119	2.8
117.07018	3.8
119.08581	51.7
121.10140	48.4
122.10643	1.7
123.08052	1.9
123.11711	18.1
125.09570	2.9
131.08572	13.0
133.10126	35.3
135.11696	27.3
137.09630	2.1
137.13231	9.0
139.11186	5.6
143.08548	4.5
145.10112	18.2
145.98135	1.8
147.11694	25.4
149.13258	64.4
151.14841	2.5
157.10149	5.4
159.11671	20.2
161.13260	67.1
163.11194	2.1
163.14825	59.8
165.12791	3.4
171.11717	6.4
173.11774	4.6
173.13313	14.2
175.14825	45.6
176.77000	1.5
177.12886	1.8
177.16415	22.3
185.13295	4.1
187.14789	13.2
189.16385	32.4
191.14366	2.0
191.18047	6.8
193.15955	3.0
199.14803	4.9
201.16350	13.3
203.17961	18.0
205.15939	3.0
205.19527	1.6
207.17488	4.1
213.16380	5.4
215.17970	17.3
217.19514	9.7
219.17482	5.6
221.19051	2.7
227.17937	7.9
229.04984	2.1
229.19508	15.0
231.21213	2.1
233.19038	5.0
241.19461	9.8
243.21188	4.1
245.19211	1.7
247.20569	3.5
255.21201	8.1
257.04459	16.1
257.22699	4.1
258.05231	9.7
259.20679	5.7
263.72955	1.5
267.21201	2.6
269.22711	6.6
271.24460	5.1
273.22226	6.1
275.23755	3.4
283.24277	3.5
286.04663	17.2
287.05447	11.1
287.23825	2.5
289.38666	1.6
311.27423	5.8
321.63791	1.5
325.29156	2.3
337.29016	5.5
348.14014	1.5
365.32034	35.1
383.11240	45.1
383.24487	5.2
383.33176	93.6
384.11780	6.7
384.33698	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05506	13.7
55.76139	2.2
57.07059	5.8
67.05164	3.3
67.05503	46.2
67.89502	2.0
69.07072	21.6
70.12234	10.4
79.05495	19.4
81.07056	73.5
83.04985	2.4
83.08607	13.6
90.93163	2.6
91.05471	20.3
93.07035	58.2
93.07618	3.1
95.04946	7.7
95.08602	100.0
97.10138	5.6
99.08079	2.6
105.07027	41.1
107.08593	71.2
109.06541	5.6
109.10155	50.6
111.08105	3.2
117.07044	5.5
119.08578	34.7
121.10132	52.9
123.11701	18.0
125.09566	2.7
129.07036	3.2
131.08571	14.6
133.10132	31.6
134.99681	3.0
135.11678	31.3
137.09654	2.2
137.13239	7.6
139.11160	5.4
142.07748	2.7
143.08582	4.0
145.10098	22.2
147.11671	26.9
149.09605	3.3
149.13246	48.1
151.07515	2.8
151.14793	2.9
157.10107	9.5
159.11664	20.4
161.09639	2.2
161.13264	41.7
162.13625	2.3
163.14815	62.6
165.09119	4.3
165.12721	6.0
171.11754	5.4
173.11826	3.5
173.13245	14.1
175.14815	38.0
177.12804	3.2
177.16356	23.6
185.13309	6.0
187.14764	13.7
189.16374	20.3
191.17960	5.3
199.14702	3.1
201.16403	18.6
203.17914	16.8
205.15811	2.6
207.17497	4.9
213.16386	4.1
215.17950	19.3
217.19504	9.0
219.17503	5.2
221.15416	4.6
226.28598	2.3
227.17920	8.3
229.19519	17.4
231.21191	2.8
233.19023	6.8
241.19444	5.3
243.21060	3.6
247.20633	4.9
255.21053	9.1
257.22784	4.2
259.20605	5.9
269.22589	6.2
271.24161	9.2
273.22052	3.3
275.23816	3.3
287.23532	2.9
311.27167	6.9
325.29068	3.5
365.32086	41.2
366.32938	2.2
383.20480	16.8
383.25238	4.2
383.33054	93.1
384.33466	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88646	2.0
53.03946	5.4
55.05508	16.7
55.57879	1.8
57.07081	10.4
59.04990	3.4
64.59202	2.2
65.83549	2.3
67.05504	36.5
69.03432	17.8
69.07050	9.6
69.35358	17.5
69.35765	4.7
71.04979	10.1
74.01940	2.1
79.05500	34.9
81.07061	35.1
83.04976	6.5
83.08604	4.8
83.32569	2.2
85.06529	4.4
91.05482	45.4
93.07045	100.0
95.04974	28.6
95.08038	4.0
95.08609	43.8
97.06509	10.2
99.17093	2.2
105.07031	77.8
107.08602	46.3
109.06525	22.8
109.10149	25.6
111.08085	11.3
117.07015	11.9
119.08578	58.3
120.37988	2.2
121.06524	13.8
121.10146	43.0
123.08080	28.4
123.11689	3.5
128.06194	7.3
129.07011	12.9
130.07755	5.0
131.08586	25.6
133.06473	8.9
133.10129	32.8
135.08067	25.6
135.11665	7.0
137.09563	11.6
141.06979	5.0
142.07793	22.2
143.08556	22.1
144.09286	3.2
145.10135	39.6
147.08055	32.8
147.11688	22.2
148.08800	3.6
149.09630	27.3
149.33777	2.5
151.07533	43.3
155.08533	6.4
156.09357	9.7
157.10121	43.0
158.10568	2.3
159.08047	9.3
159.11699	17.3
160.12312	2.2
161.09601	21.5
161.13252	11.3
163.11142	6.5
165.07011	3.1
165.09116	47.0
169.10162	8.1
170.10912	8.1
171.11644	11.3
173.09615	9.2
173.13252	8.7
175.11169	23.6
175.14871	11.0
177.09142	12.8
178.09753	2.4
179.08630	2.6
181.12297	2.6
182.10956	3.3
183.11668	5.4
185.09619	3.6
185.13292	20.7
187.11203	5.1
187.14861	3.5
189.12706	11.4
191.14247	2.7
194.10919	2.7
195.11671	4.1
197.13336	5.5
199.11156	5.2
201.12724	11.2
203.14304	40.6
207.11926	2.4
207.13760	13.1
209.13203	5.5
209.15219	4.7
213.12871	3.4
215.10622	3.5
215.14322	9.3
219.13774	6.3
221.15373	99.9
221.17564	4.8
223.14911	2.6
225.12749	2.3
227.14326	3.7
231.13768	3.9
233.15346	7.4
234.16144	11.9
235.14943	2.7
243.13699	2.3
274.19363	5.5
286.19238	4.7
287.20044	5.4
299.20224	3.5
300.20868	2.4
303.19498	8.3
309.18542	2.7
347.23483	3.5
365.24753	11.5
365.28568	3.0
383.20352	6.6
383.25708	59.2
383.30414	4.0
384.21252	2.3
384.26071	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81869	2.0
53.03935	4.3
55.05512	16.3
57.07057	8.8
59.04990	7.7
67.05502	24.5
69.03430	17.9
69.07063	7.6
69.37358	8.2
69.37784	13.3
71.04987	5.2
79.05485	31.7
81.07055	36.4
83.04986	6.5
83.08628	4.1
85.02936	2.4
85.06532	6.7
91.05481	45.2
92.05764	3.2
93.07042	100.0
95.04966	30.1
95.08610	41.6
95.76198	2.3
97.06518	16.4
105.07034	75.3
107.04951	3.4
107.08588	45.7
109.06509	26.0
109.10145	17.5
111.08069	10.4
115.05416	3.0
116.79813	2.4
117.06993	8.1
119.08582	55.1
121.06497	15.1
121.10143	46.6
123.08077	33.8
123.11694	2.9
125.05944	2.2
125.09604	2.7
128.06190	9.6
129.07007	10.8
130.07759	6.0
131.08569	28.2
131.58061	2.2
133.06490	8.1
133.10136	36.9
135.08054	26.0
135.11668	5.6
137.05952	3.7
137.09622	16.4
141.06914	3.7
142.07785	20.1
143.08546	27.1
144.09317	2.6
145.06461	5.2
145.10103	42.5
145.11134	3.5
146.07198	2.9
147.08034	27.0
147.11674	17.3
148.08777	3.1
149.09615	30.5
151.07536	42.1
152.07811	2.3
153.09232	4.4
155.08546	7.8
156.09360	9.2
157.10129	44.5
157.11301	4.0
159.08037	9.6
159.11687	19.5
160.08730	2.7
161.09610	24.2
161.13214	10.8
163.11192	9.2
165.09113	44.7
166.07777	2.7
168.09207	4.4
169.10129	7.1
170.10841	6.9
171.11691	8.5
173.09599	9.9
173.13249	9.7
175.11188	23.0
175.14801	10.5
177.09111	14.9
179.08525	3.0
179.10721	2.5
181.10069	3.9
181.12352	3.0
182.10825	2.6
183.11703	5.6
184.47887	2.4
185.13260	21.4
187.11209	6.3
187.14774	3.1
189.12743	8.9
191.14281	4.5
195.11687	4.5
196.12219	2.5
197.13303	7.9
199.11130	5.6
199.14864	3.0
201.12785	7.9
203.14310	40.5
207.11929	3.6
207.13814	16.5
209.13243	4.7
209.15172	5.0
211.14798	3.0
213.12744	5.7
215.14293	9.3
216.15205	3.4
217.12057	3.1
219.13788	3.5
220.12323	2.1
221.15361	89.4
223.14664	3.2
225.16292	2.1
227.14253	3.6
229.12315	3.3
231.13808	3.4
233.15323	4.9
234.16138	7.8
237.14735	2.8
243.13725	3.6
263.17847	2.7
269.18933	2.8
271.16754	3.0
279.80798	2.6
281.18991	2.8
286.19254	5.1
287.20111	6.7
299.19962	5.6
303.19522	11.0
309.18347	4.2
327.19427	2.9
347.23773	2.6
365.24860	14.9
383.20355	30.9
383.25739	68.5
384.21014	5.0
384.25995	4.5
405.79883	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03950	5.9
55.01840	2.8
55.05523	15.7
57.03414	3.8
57.07071	13.4
59.04985	7.3
65.03930	3.6
67.05511	27.6
69.03419	11.9
69.07051	10.0
70.85118	7.9
71.04975	9.9
77.09529	2.3
79.05482	34.9
81.07053	44.3
83.04952	9.4
83.08652	3.6
91.05482	52.4
93.07041	100.0
95.04977	30.8
95.08606	44.0
97.06544	14.5
103.05424	3.6
105.07026	80.5
106.61063	2.7
107.04929	3.1
107.08591	45.8
109.06516	30.5
109.10158	22.2
111.08066	9.7
115.05449	3.0
116.06240	4.1
117.07014	13.2
119.08585	57.7
120.09336	4.3
121.06507	16.7
121.10138	49.7
123.08088	30.1
128.06184	8.5
129.06985	10.9
130.07741	4.6
131.08560	30.5
133.06470	8.1
133.09212	3.4
133.10150	32.0
134.03212	2.5
135.08052	27.1
135.11694	5.6
137.05972	5.7
137.09576	13.4
141.06963	6.0
142.07777	26.8
143.08563	30.4
145.10118	46.9
146.07294	5.0
147.08061	29.8
147.11627	17.2
148.08804	5.6
149.09636	25.5
151.07547	47.3
153.09073	4.7
155.08527	7.9
156.09312	8.8
157.10123	49.7
158.10681	3.5
159.08080	6.6
159.11684	18.4
161.09648	24.4
161.13252	10.2
163.11159	5.9
165.09113	46.6
168.09383	3.5
169.10095	8.5
170.10893	4.6
171.11678	6.2
173.09653	9.7
173.13234	9.0
174.10345	3.9
175.11185	31.0
175.14835	8.6
177.09109	12.2
180.09357	3.3
181.12288	5.2
183.11690	6.7
185.09584	4.4
185.13277	18.2
187.11179	7.5
187.14748	3.8
188.11877	3.5
189.12747	9.8
195.11714	4.7
195.13695	2.8
197.13289	5.3
199.14757	5.0
201.12762	8.1
203.14319	37.9
204.14641	3.2
207.11894	4.3
207.13794	15.8
209.13356	2.7
209.15370	4.8
213.12799	6.8
215.10774	3.0
215.14391	6.1
216.15074	4.3
219.13770	6.6
221.15358	85.8
222.15872	3.8
223.14847	6.2
227.14296	4.8
229.12108	3.9
233.15248	6.1
234.16129	12.6
237.14766	3.9
243.13776	3.4
249.29048	2.5
253.15833	3.0
281.18930	4.8
286.19263	7.7
287.19971	11.0
299.20047	6.4
303.19467	9.2
347.23724	3.4
365.24744	11.7
366.25113	3.1
383.25784	91.0
384.26010	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
53.31114	2.5
54.50468	2.5
55.01887	2.6
55.05505	13.2
57.07077	13.1
58.22976	2.4
58.29985	2.4
59.04996	8.2
65.03941	3.1
67.05228	2.8
67.05511	32.2
69.03431	17.8
69.07058	10.4
70.21875	12.0
71.04993	6.5
79.05487	30.2
81.03421	4.6
81.07059	36.8
83.04972	8.2
85.06518	6.4
91.05476	44.0
93.07043	100.0
95.04953	29.4
95.08598	42.2
97.06527	11.7
103.05426	3.6
105.07030	80.7
107.08592	43.0
109.06520	30.0
109.10177	23.9
111.08073	9.0
117.07033	10.5
119.08578	48.6
120.09377	3.9
121.06512	14.3
121.10144	43.9
123.08073	32.7
123.11700	4.5
128.06229	6.9
128.74725	3.0
129.06998	12.4
131.08582	25.8
133.06499	9.7
133.10149	28.0
135.08057	27.3
135.11658	7.4
137.09604	14.3
141.06996	5.1
142.07787	18.0
143.08556	26.3
144.09322	3.8
145.06491	4.7
145.10104	35.3
147.08028	29.4
147.11688	12.4
148.08838	3.8
149.09616	26.2
151.07555	36.0
155.08521	8.2
156.09315	4.8
157.10135	50.0
158.10806	3.2
159.08032	7.3
159.11725	14.0
161.09608	21.6
161.13248	10.6
163.11150	8.3
165.09116	41.2
169.10069	3.3
170.10979	4.9
171.11682	10.7
173.09602	10.8
173.13239	10.3
175.11162	21.4
175.14815	7.5
177.09123	11.2
181.10121	3.6
182.10895	4.4
183.11687	6.4
185.13268	15.0
187.11261	5.5
189.12703	9.7
191.14233	4.5
194.11023	3.1
195.11769	6.5
197.13306	4.5
201.12796	9.9
203.14282	33.7
207.11911	5.0
207.13716	14.1
209.15347	5.1
213.12778	5.8
215.14291	8.9
219.13768	8.5
221.13589	3.3
221.15370	86.0
222.15662	5.1
227.14308	4.3
233.15372	6.0
234.16138	15.9
265.15942	3.4
269.12497	3.5
281.18930	3.3
286.19275	6.2
287.20108	3.7
299.20111	4.9
303.19562	8.3
322.00439	3.0
359.48413	3.1
365.24570	13.1
383.25757	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.73048	4.1
53.03942	7.8
53.48853	3.6
55.05510	21.0
56.96553	3.8
57.07059	12.9
59.04993	7.1
65.13687	3.9
67.05494	36.2
68.49219	3.5
69.03416	10.7
69.07059	10.3
71.04986	11.5
71.59895	5.2
79.05483	30.7
81.07059	45.6
83.04978	10.4
83.08620	7.4
85.02885	5.2
85.06525	7.5
85.35603	4.1
91.05474	48.5
93.07039	100.0
95.04965	37.8
95.08604	55.3
97.06527	11.2
105.07034	90.1
105.07554	2.3
107.08594	49.0
109.06514	30.2
109.10151	34.3
111.08081	8.9
117.07028	11.1
119.08573	68.8
120.09372	5.5
121.06466	13.4
121.10136	64.8
122.59351	4.4
123.08079	41.0
125.09627	4.2
128.06207	3.9
129.07014	14.6
130.07764	5.9
131.08563	29.9
133.06491	8.5
133.10115	39.8
135.08032	25.2
135.11717	13.2
137.05974	4.7
137.09616	12.6
141.06961	5.8
142.07755	22.0
143.08554	30.1
144.09364	5.8
145.06485	5.0
145.10121	35.7
146.10571	4.3
147.08034	29.1
147.11678	19.4
149.09610	22.6
149.13266	5.5
151.07552	45.5
153.09074	4.6
155.08546	6.3
156.09442	8.0
157.10123	45.0
159.08070	8.9
159.11691	18.1
161.09599	24.2
161.13284	13.8
163.11208	12.2
165.09099	37.4
169.10112	6.4
170.11009	5.3
171.11742	7.7
173.09616	11.7
173.13246	9.9
175.11157	24.2
175.14845	12.7
177.09079	9.3
183.11655	6.5
185.13196	22.3
187.11159	11.4
187.14767	6.1
189.12730	12.6
195.11661	7.4
197.13297	6.9
199.11104	5.6
199.14868	6.3
201.12775	10.3
203.14302	33.1
207.13718	10.0
209.13335	6.0
211.14665	5.3
215.14297	8.1
219.13779	9.3
221.13431	4.0
221.15353	78.0
222.15714	4.3
223.14700	5.6
225.12892	4.6
225.16275	4.0
233.15279	9.4
234.16139	13.9
243.10936	5.4
271.16797	5.2
281.19034	6.2
286.19186	8.5
287.20065	8.2
299.20035	9.4
303.19547	9.4
307.50534	3.7
365.24799	12.8
365.32050	5.4
383.25681	69.3
383.33307	8.4
384.25974	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	8.1
55.01865	3.6
55.05517	11.8
57.03448	1.8
57.07079	13.0
59.04988	5.8
65.03931	3.4
67.05505	34.4
67.73045	1.7
69.03427	18.1
69.07059	10.2
70.06525	7.4
71.04979	8.3
79.05492	36.1
81.03410	2.3
81.07059	38.4
82.07369	2.7
83.04973	6.4
83.08604	4.3
85.06525	5.9
91.05476	50.3
93.07042	100.0
93.81208	1.9
94.07385	2.3
95.04969	28.4
95.08604	41.8
97.06530	16.7
103.05460	4.7
105.07029	87.2
107.04955	2.4
107.08588	42.1
109.06522	26.1
109.10139	22.5
111.08099	11.3
115.05421	3.6
116.06238	3.8
117.07003	12.4
119.04984	2.2
119.08581	57.1
120.09374	5.2
121.06487	13.7
121.10148	42.8
122.07259	2.2
123.08058	33.6
128.06197	8.7
129.07036	12.9
130.07784	4.2
131.08569	28.4
133.06491	5.9
133.10126	35.3
135.08046	24.5
135.11696	7.9
137.05960	2.9
137.09637	14.2
141.06998	8.2
142.07768	26.3
143.08563	28.1
144.09315	5.3
145.06476	6.3
145.10132	38.8
146.07217	3.0
147.08052	25.7
147.11694	17.3
148.08780	3.0
149.09627	20.9
149.13235	2.1
151.07553	48.6
153.09106	3.0
155.08556	5.9
155.53217	1.8
156.09332	10.0
157.10138	44.6
159.08052	8.6
159.11679	16.8
160.08850	2.2
161.09636	24.5
161.13266	6.6
163.11192	7.7
165.09111	37.4
167.08517	3.0
169.10088	4.6
170.10870	6.6
171.11633	11.1
173.09644	9.2
173.13196	9.8
175.11179	23.7
175.14769	9.7
177.09076	10.5
178.09900	2.9
179.08559	3.0
179.10677	2.4
181.10176	2.7
182.10933	2.2
183.11726	5.5
185.09660	4.1
185.13277	22.8
187.11171	7.3
187.14827	6.1
189.12718	12.1
191.14304	6.0
193.80734	1.9
195.11740	5.2
197.09657	2.6
197.13264	5.5
199.11151	4.3
201.12700	8.9
203.14310	30.4
207.12003	2.8
207.13838	13.6
209.13303	5.6
209.15430	7.3
211.11357	2.1
211.14827	4.1
213.12785	4.6
215.14314	9.1
216.15239	2.8
219.13782	6.1
221.13431	2.4
221.15349	71.6
222.15649	2.7
225.12724	4.6
225.16360	3.3
227.14389	2.9
229.12296	2.8
231.13852	4.0
233.15488	5.8
234.16122	11.5
243.13895	2.6
247.17038	2.3
255.17520	3.0
264.04886	2.0
267.17337	2.8
269.18900	2.8
271.17111	2.5
274.19336	3.1
281.18958	2.4
286.19281	4.4
287.20111	11.1
291.25446	2.0
299.20209	5.8
300.20804	2.6
303.19562	7.8
309.18530	4.6
327.19281	2.2
347.23544	3.3
365.24808	15.0
383.25809	86.4
384.26337	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05511	7.2
55.40587	0.8
56.96571	1.8
57.03433	3.3
57.07061	1.2
61.69035	0.8
65.03973	0.9
67.05502	14.2
69.03412	1.2
69.07074	6.6
71.04988	1.0
71.09054	1.6
79.05490	7.3
81.03432	0.8
81.07058	33.1
81.77475	0.7
83.04973	3.3
83.08620	3.5
91.05482	5.8
91.68143	0.7
93.07040	8.9
95.08608	8.6
97.06543	2.3
105.07023	5.6
107.04971	1.0
107.08582	5.6
109.06510	12.7
109.10159	9.5
111.04443	16.4
111.08025	1.1
112.04903	0.8
114.78273	0.8
117.07032	1.3
119.08595	7.3
121.06491	0.8
121.10145	5.7
123.08053	2.6
123.11718	2.1
125.05995	8.0
131.08569	3.1
133.10141	5.3
135.08073	3.3
135.11697	4.4
137.05974	100.0
137.13278	1.7
139.07634	1.3
142.07776	0.9
143.08595	2.5
145.10124	2.8
147.08026	2.0
147.11725	6.2
149.09599	4.7
149.13235	1.2
151.07584	3.2
151.11218	1.5
157.10143	2.3
159.11670	2.6
161.09621	6.6
161.13261	2.7
163.11113	3.7
163.14827	1.0
165.09135	2.4
167.10670	1.2
167.28349	0.8
171.11714	1.5
173.11754	1.8
173.13188	1.0
175.11194	4.7
175.14862	1.2
177.09108	1.4
179.10643	1.6
185.13197	0.9
187.14877	0.9
189.12715	2.1
193.12157	1.4
203.17961	5.9
213.16400	3.0
221.19008	1.8
231.17424	10.7
241.15932	2.1
249.18497	12.4
257.04346	1.0
259.16901	0.9
277.17987	54.0
287.05466	1.1
295.19034	26.2
339.54480	0.8
351.21747	5.0
383.11215	2.7
383.24301	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	383.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39777	2.1
54.35344	1.9
55.05512	3.2
56.96556	4.7
57.60276	2.1
58.97861	2.0
67.05511	18.7
69.07058	2.4
69.61140	17.6
74.79913	2.1
79.05483	4.8
81.07043	7.1
91.05474	7.3
93.07063	3.8
94.04201	4.9
95.04989	4.1
95.08588	3.6
105.07031	14.6
107.08555	2.8
109.06490	3.2
109.10146	9.3
110.75230	1.9
111.08125	2.0
115.05450	4.3
121.10223	3.5
122.03642	10.6
128.06241	3.7
133.06531	8.9
137.05977	100.0
146.03642	4.6
161.05975	42.8
171.08038	2.3
173.11812	3.6
175.07440	2.7
184.05133	3.7
187.07483	2.2
191.08592	3.8
192.09218	3.1
195.79036	2.2
199.07538	27.3
202.07756	12.8
203.08575	18.2
204.09286	2.9
213.64189	2.3
215.08562	2.5
219.08098	7.6
220.08784	6.2
229.04959	2.8
231.08032	23.9
232.08852	6.2
247.07527	4.3
248.08330	13.3
249.09142	4.0
257.04483	11.5
258.05298	2.9
259.07538	19.7
260.08389	7.3
263.10699	10.3
275.06982	2.7
276.07666	11.9
277.08749	5.7
286.04846	4.1
287.05475	8.0
291.10184	63.0
292.10858	6.5
293.08057	2.8
313.06110	2.5
323.12729	19.8
351.12131	4.1
383.10715	21.6
383.24014	4.6
384.11774	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03432	2.9
61.02911	4.8
69.03430	11.3
71.50845	2.7
73.02913	2.1
74.02437	2.8
77.68216	1.5
81.03418	7.0
82.08282	1.5
85.02911	31.0
94.06562	2.2
97.02895	8.9
99.04459	4.0
103.03940	2.3
106.06532	2.7
109.02880	3.7
110.71588	1.7
115.05447	1.7
117.05709	1.5
118.06542	7.0
120.08065	2.0
127.03937	4.1
129.06931	1.5
130.06529	64.5
132.04459	20.1
132.08078	7.6
136.07564	2.0
142.06535	2.5
143.07384	2.5
144.06923	2.3
144.08072	27.1
144.97246	1.7
145.05046	2.3
145.07611	19.5
146.05029	2.3
146.05992	11.7
148.07568	5.4
154.06496	4.0
156.06839	3.0
156.08131	4.8
157.07611	71.4
158.06020	60.1
159.09155	8.3
160.07599	4.5
168.08101	2.9
169.07634	7.6
170.05995	2.8
171.09157	10.9
172.07587	11.1
174.05457	8.3
175.08673	63.9
176.07109	4.2
181.07671	5.3
182.05942	2.2
182.08331	4.2
183.09163	19.5
184.07613	2.7
185.07135	15.9
186.05473	5.1
186.07857	3.9
187.08752	3.8
188.07033	2.5
199.08667	13.0
200.07092	20.2
201.10313	1.9
203.08157	100.0
204.06512	3.3
204.08443	1.9
209.07173	9.3
215.08145	4.6
216.06596	2.7
216.08920	3.3
217.09726	30.8
221.09200	48.7
227.08188	9.7
228.06596	3.3
231.07701	5.5
245.09195	20.2
257.09317	2.8
263.10275	41.1
264.10590	2.3
269.09192	2.8
299.10327	4.5
301.11896	1.9
311.10214	1.9
329.11322	2.7
347.12360	12.8
348.10666	10.9
365.13416	29.1
383.14471	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	383.0948
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
69.91981	10.8
76.74897	1.9
77.86338	1.7
85.02896	2.9
90.05544	2.5
91.47778	1.8
100.15387	1.7
120.03702	1.9
124.29082	1.9
177.59018	2.1
179.60921	1.8
185.04155	13.4
221.04291	7.6
221.12225	3.1
244.90842	2.1
383.09467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0891
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
55.05500	2.7
56.96554	0.9
57.07058	2.7
59.90113	0.6
67.05504	2.0
69.07077	0.7
69.09861	0.6
70.06596	1.2
74.09695	1.6
79.05478	1.3
81.07056	1.8
83.04997	1.0
83.08618	2.5
85.06564	1.2
91.05437	1.0
93.07014	0.8
95.08571	1.6
97.06558	0.8
98.20679	1.1
100.07632	1.3
100.11251	6.8
105.07040	1.5
107.08582	0.7
111.04398	0.8
111.59031	0.6
119.08585	1.2
128.07068	0.9
131.08600	1.4
133.10179	1.1
145.10011	0.9
156.12671	0.9
156.13840	7.1
157.14189	0.9
165.44971	0.6
174.39568	0.6
182.11792	1.4
182.15395	5.9
183.15704	1.2
184.13382	6.1
184.16902	0.6
185.13632	0.9
199.18044	1.5
210.14925	1.9
229.44023	0.7
259.08682	0.8
309.21811	2.1
310.22122	0.9
311.01221	0.7
311.05270	0.8
324.68900	0.6
382.30780	5.2
383.08884	100.0
383.30521	3.1
384.09000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98624	0.2
56.96288	0.5
56.96569	9.0
58.96564	0.2
70.24451	0.6
70.24846	0.5
71.95280	1.2
98.51948	0.2
98.97584	49.1
116.98623	62.2
117.98990	0.4
119.01952	0.6
134.99660	51.8
140.00166	0.7
141.90379	0.2
152.99451	0.5
153.00713	10.4
157.19771	0.3
158.01247	1.6
174.97879	0.3
177.00943	1.3
178.01071	0.5
179.00777	0.5
181.97372	0.3
192.98830	0.5
198.97638	0.3
216.98756	1.0
217.99173	0.3
219.02002	2.2
220.02104	1.2
221.01773	0.5
234.99867	3.4
236.00056	1.2
236.99532	0.3
240.98651	4.5
253.01003	1.1
258.03470	0.3
258.99783	46.7
260.00037	3.3
260.99921	0.9
261.03104	1.8
262.03076	0.5
263.02814	0.7
264.99292	0.4
265.98734	0.3
274.97681	0.5
277.00842	100.0
278.01062	6.6
279.01077	1.1
282.01172	1.5
282.99985	8.1
284.00024	2.6
284.99939	0.8
291.02390	0.6
292.99149	0.4
294.99011	0.3
295.01843	1.7
298.97604	0.5
300.02386	3.7
301.01059	18.5
302.01178	5.8
303.00735	1.5
316.98822	0.7
317.98999	0.6
319.02008	1.5
320.02167	0.5
324.02560	0.7
341.01901	0.9
359.01584	4.0
360.00494	0.4
360.99780	0.3
377.02637	2.0
382.99963	1.0
383.04288	0.4
391.92273	0.3
401.01041	7.0
402.01270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.96546	9.1
67.05505	4.5
69.03423	7.0
69.91050	21.9
69.91471	9.4
72.04513	10.0
73.02911	4.8
77.70757	4.0
85.02907	14.2
90.05559	67.2
97.02895	5.7
103.07585	5.3
113.68853	3.7
116.03432	9.4
120.08064	5.5
123.04384	5.0
124.07643	9.5
127.03891	7.3
142.08528	5.8
165.02509	3.9
169.52441	4.7
179.29294	4.0
184.09644	11.5
185.04228	9.4
202.10742	18.7
220.11789	100.0
221.04329	5.6
266.19476	3.8
285.50992	4.1
348.93091	4.1
354.06146	7.1
383.09479	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01871	7.1
55.05500	2.0
57.03434	6.6
57.07071	1.8
60.04526	4.5
61.02934	6.5
67.05497	2.4
68.99779	1.9
69.03431	36.1
69.07058	1.8
71.04980	3.7
71.59745	1.1
71.60136	1.2
73.02920	4.6
79.05495	1.9
81.03416	23.7
81.07027	2.6
83.08617	1.4
85.02907	100.0
87.00829	40.4
91.03955	1.6
91.05527	1.2
93.07031	2.4
95.08605	1.9
97.02887	31.1
97.46543	0.9
99.04449	11.9
102.26772	1.0
103.03945	1.3
105.01868	76.1
105.07056	2.1
106.05015	3.5
107.08586	1.8
108.04469	1.6
109.02127	1.3
109.02879	27.1
115.03921	1.4
117.01837	1.9
118.63642	0.9
119.08574	1.5
122.39892	1.0
123.02955	1.4
126.05560	1.1
127.03920	73.4
129.01820	2.5
137.05901	1.2
145.04962	31.1
145.06126	1.6
146.10435	1.6
147.02893	3.1
159.02902	11.2
189.03947	3.7
197.40030	0.9
202.16568	1.5
207.25565	1.1
213.03973	3.2
231.05020	21.5
248.07774	1.2
249.06117	5.9
277.21573	2.0
364.24747	3.3
379.22592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17056	2.6
55.01871	3.5
55.05495	3.8
56.05048	4.7
56.96560	5.8
57.03451	4.0
60.04530	7.2
61.53075	2.8
61.90276	2.8
69.03423	6.5
69.94465	6.0
69.94875	11.2
70.06580	14.5
72.08134	3.4
73.02892	2.8
81.03419	6.0
81.07064	7.1
84.04515	6.0
84.08152	6.6
85.02908	24.5
85.87412	2.8
86.09698	13.2
87.00837	6.9
89.19488	2.9
91.05479	4.3
96.08971	2.9
97.02888	12.2
98.20840	3.3
98.97572	3.8
99.08090	100.0
105.01892	5.9
107.04926	3.2
109.02913	4.0
110.07140	7.0
116.98590	4.0
117.09158	6.8
120.08122	3.5
126.24924	2.7
127.03909	8.3
129.10208	3.3
136.07552	4.8
145.04951	4.9
147.04379	6.0
163.03911	3.5
173.61620	3.2
178.94920	3.5
190.93114	2.5
191.83340	3.3
231.04982	3.8
247.82446	3.1
269.11325	3.1
354.17578	3.2
382.14249	3.9
382.27878	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	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
54.35681	2.2
55.05503	15.7
57.03438	4.2
57.07067	6.0
59.05002	3.8
65.03936	4.2
67.05505	93.9
69.03430	2.4
69.07060	20.0
69.32265	5.7
69.32678	18.3
71.04995	2.8
72.90716	2.0
74.41374	2.3
79.05491	43.8
81.07053	97.9
82.07414	2.4
83.04958	2.7
83.08616	10.4
85.02896	2.6
85.06544	10.7
91.05482	27.1
93.07039	54.2
94.06560	24.4
95.04960	8.3
95.08604	87.8
97.06519	3.8
97.10165	4.2
98.21503	4.0
99.08064	3.8
105.07005	26.2
107.08588	37.4
109.10152	43.6
111.08088	8.3
117.07021	15.2
119.08583	30.9
121.10135	36.0
123.08083	3.3
123.11716	26.0
123.49020	2.5
129.07019	3.4
130.07770	2.8
131.08582	24.8
133.10107	18.9
135.11685	24.0
136.11220	6.2
137.09552	2.8
137.13257	10.3
141.01816	2.1
141.81573	1.9
142.07753	3.4
143.08578	7.3
145.10139	23.3
147.11690	6.8
149.13257	14.1
151.14888	3.4
157.10144	5.2
159.11729	17.8
161.13278	5.6
161.69281	2.0
163.14787	6.2
165.12782	2.3
169.10077	4.0
170.10703	2.2
173.09558	2.8
173.13226	14.6
175.11180	2.9
175.14868	10.4
177.16368	4.5
183.11711	2.9
185.13202	2.4
187.14844	10.7
189.16455	3.8
191.17894	2.2
195.11885	2.2
197.13213	3.4
201.12852	2.4
201.16370	4.1
209.13309	3.2
213.10234	14.1
219.17424	4.7
255.14975	9.1
267.08820	2.4
271.24255	7.5
285.10126	8.6
289.25247	100.0
290.25598	3.1
297.19611	9.2
307.26300	4.5
339.24231	12.3
363.28940	4.9
381.29956	31.5
382.29861	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62267	1.7
53.03955	2.8
53.19807	1.4
55.01871	1.6
55.05512	16.7
57.03434	4.5
57.07064	4.7
65.03917	3.0
67.05504	95.8
69.07067	19.2
71.04998	2.3
71.08606	1.8
71.31711	3.8
75.04464	2.1
79.05495	39.0
81.07055	98.3
83.08612	9.9
85.06527	2.6
91.05486	22.3
93.06466	3.0
93.07043	52.4
95.04950	6.1
95.08606	83.8
97.06505	3.9
97.10162	6.1
104.69965	1.6
105.07037	17.0
107.08591	36.6
109.06518	2.9
109.10157	45.1
111.08096	2.3
117.07037	9.0
119.08581	15.9
121.10146	38.1
123.08049	2.8
123.11706	20.6
128.09921	1.7
129.06998	1.8
131.08557	16.1
133.10139	18.6
135.11693	28.3
137.09630	1.8
137.13252	8.2
139.11142	2.0
145.10129	16.8
147.11670	10.3
149.13271	16.0
151.14822	2.7
157.10065	2.5
159.11682	10.9
161.13239	5.5
163.14807	6.7
171.11752	1.9
173.13297	13.1
175.14825	5.0
177.16412	3.1
187.14836	7.8
189.16335	2.8
191.17943	2.7
195.48358	1.6
201.16360	4.2
205.15947	1.8
209.13179	1.9
215.17943	1.9
233.18932	2.5
247.20685	1.9
261.25763	5.5
271.24240	8.3
280.16376	1.9
289.25266	100.0
290.25626	4.3
307.26309	2.9
363.29074	7.4
381.24371	2.6
381.30038	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	381.2634
Annotation	Membrenone A
Peak:m/z	Relative Intensity
53.03943	1.4
55.05519	3.5
57.07072	14.6
67.05508	5.5
69.03408	0.9
69.07062	8.8
69.25158	0.8
69.28729	2.9
69.29155	4.0
71.08621	1.1
73.68586	0.7
77.74459	0.6
79.05488	3.9
81.07044	5.4
83.04990	1.7
83.08604	3.7
85.06538	6.8
91.05470	3.0
93.07049	4.8
95.04991	0.9
95.06065	1.1
95.08612	5.1
97.06532	3.1
98.21576	0.7
104.09093	0.7
105.07027	2.3
107.08575	5.3
109.06503	5.0
109.10150	1.7
111.08079	1.6
119.08563	2.3
121.06513	1.0
121.10145	2.5
123.08067	4.8
125.06023	1.5
131.08589	1.2
133.10123	1.9
135.08052	2.4
135.11671	4.2
137.13351	0.7
138.06781	1.0
139.07562	7.5
145.10124	1.6
147.11679	1.9
149.09627	1.5
151.07530	3.7
153.12793	0.9
159.11641	1.1
161.13316	0.8
165.12796	2.6
166.06171	0.8
167.07034	4.5
179.07091	1.9
179.10683	1.7
181.12221	6.6
193.12268	2.6
207.13930	0.7
210.12495	10.0
233.18990	2.9
249.18391	1.5
261.18448	6.7
276.69614	0.8
277.17981	2.8
279.16669	1.1
279.19537	8.6
317.24698	1.4
335.25797	2.2
345.24319	2.6
363.25311	11.0
381.26364	100.0
382.26669	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	381.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93493	0.2
55.05510	0.3
56.96586	0.2
65.03915	0.8
69.03446	0.2
69.07085	0.3
70.92149	0.4
71.22322	0.2
72.08156	7.1
81.07053	0.3
84.51514	0.2
89.10800	4.6
91.05482	8.6
93.07007	0.2
95.04965	0.3
98.06044	0.3
100.35891	0.2
110.07159	0.6
115.05495	0.2
115.08693	0.7
119.04942	24.6
120.05209	0.2
122.03634	0.3
123.04472	0.2
124.48865	0.2
125.20379	0.2
132.05679	0.2
135.04404	0.4
136.58534	0.2
137.05980	3.2
143.27423	0.2
147.04410	100.0
148.04756	1.0
149.04376	0.1
156.07724	0.3
161.05960	0.3
175.07555	2.3
187.07451	0.3
189.09062	0.5
201.09161	0.2
203.74803	0.2
213.09140	0.4
217.13437	0.4
218.11761	6.9
218.37576	0.2
227.10690	0.3
235.14412	42.7
236.14610	0.3
257.11752	0.3
261.12390	1.4
325.29449	0.2
363.16141	0.2
381.17905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.2
56.45982	2.6
56.96561	3.2
57.07086	3.6
62.53126	3.3
67.05492	10.0
69.07066	5.9
69.26561	36.0
71.08623	3.2
79.05477	7.0
81.03475	3.7
81.07047	12.5
85.06522	3.4
87.13676	2.8
91.05465	7.2
93.07042	11.4
95.04968	4.3
95.08591	11.1
99.08104	3.1
105.07060	5.2
107.08574	6.9
109.06517	12.3
117.07061	3.0
119.08562	5.2
121.06477	5.0
131.08534	3.6
133.10085	4.2
135.11703	4.8
143.26990	3.3
145.10107	4.2
147.11589	3.2
157.10168	5.1
165.12735	35.9
191.14357	7.7
211.15341	3.1
233.02663	3.4
261.22205	3.4
288.71100	3.6
289.21619	29.7
358.25494	3.9
381.21747	5.7
381.26202	100.0
381.31183	6.6
382.26453	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2636
Annotation	Membrenone A
Peak:m/z	Relative Intensity
53.67817	1.3
55.05504	5.8
57.07077	23.1
58.25346	1.4
63.68364	1.3
67.05492	8.9
69.07066	9.7
69.43851	14.7
71.26753	1.6
77.83170	1.3
79.05488	5.7
81.07063	8.3
83.04974	2.2
83.08631	3.3
83.39960	1.5
85.06538	12.4
91.05463	7.6
93.07046	6.4
95.04976	2.0
95.08601	8.7
97.06532	2.7
105.07007	6.1
107.08589	7.1
109.06538	7.4
109.10166	5.7
111.08091	1.8
119.08554	3.2
123.08076	7.2
125.05923	1.4
131.08569	2.6
133.10161	2.8
135.08046	3.1
135.11681	4.2
137.05971	2.4
139.07542	4.3
145.10080	2.7
147.11667	3.0
151.07550	4.9
157.10168	2.2
159.11647	2.7
163.11201	1.9
165.12675	2.1
166.06213	2.2
173.09630	1.9
179.07082	3.8
179.10635	3.9
181.12193	7.3
182.99854	1.3
193.12251	3.4
233.19006	5.5
249.18520	7.6
261.18500	11.8
276.94666	1.5
277.17957	3.5
279.19495	17.7
280.66306	1.4
335.25735	2.9
345.24222	3.6
363.25269	17.0
381.26328	100.0
382.26614	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	381.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61118	0.1
65.03941	0.6
70.52059	0.2
71.14896	0.4
72.08152	4.7
83.54933	0.1
89.10793	3.3
91.05479	8.6
98.06079	0.2
107.04942	0.3
115.08698	0.6
119.04942	22.2
120.05276	0.3
147.04407	100.0
148.04756	1.1
196.55339	0.2
217.13393	0.5
218.11755	7.3
218.41040	0.2
225.28691	0.2
235.14409	39.4
236.14665	0.6
261.12344	2.3
381.18066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58078	1.8
55.01863	4.8
55.05518	1.7
67.05492	6.5
68.99787	3.3
69.03418	20.9
71.21209	3.1
71.21556	2.7
73.54606	1.4
79.05474	3.3
81.03384	1.7
81.07056	4.3
83.04959	3.5
85.02903	5.0
87.00825	28.7
91.05485	17.0
93.07050	7.7
95.04932	4.3
95.08588	4.1
95.47344	1.6
97.02863	3.7
101.02362	18.3
103.03967	1.9
103.05439	2.4
105.01869	7.6
105.07031	17.3
107.04929	2.4
107.08588	6.5
109.06525	2.7
109.10151	8.5
111.08112	1.6
113.02385	5.1
115.05451	4.8
116.06207	1.9
117.01857	2.1
117.06995	7.3
119.04940	1.7
119.08585	20.0
121.06517	10.1
121.10133	3.0
122.07314	2.7
123.04421	1.7
123.08035	3.3
125.05989	6.5
128.06235	9.8
129.06989	19.1
130.07773	3.7
131.05017	1.7
131.08559	7.4
132.05695	1.7
133.06494	9.0
133.10104	4.9
135.08064	6.7
136.08839	5.2
137.09608	28.8
141.06987	6.3
142.07782	25.4
143.08562	13.4
144.05704	2.2
144.09297	2.1
145.06467	11.3
145.10124	22.9
146.07274	4.0
147.08043	37.2
147.11720	2.6
149.05978	3.0
149.09599	2.6
151.07524	4.2
152.06261	3.4
153.06976	2.8
154.07770	5.4
155.08545	6.7
157.06517	7.2
157.10130	20.8
158.07257	16.7
159.08061	20.7
159.11676	3.9
160.08853	2.4
161.05965	3.1
161.09605	15.5
162.10349	5.4
163.02425	1.9
163.07518	3.8
163.11139	2.7
165.09085	9.4
167.08557	7.7
169.06465	3.6
169.10095	7.7
170.07298	6.3
171.08069	32.7
172.08818	26.3
173.00832	2.0
173.09622	52.6
175.07550	7.4
175.11198	5.2
179.07019	1.8
179.08504	1.9
182.07343	3.4
183.08023	3.6
185.05995	2.6
185.09612	56.1
187.07573	3.6
187.11145	5.0
188.08287	2.4
189.09109	5.5
190.09904	3.5
191.10695	8.4
195.08038	10.7
197.09639	5.9
198.06747	5.5
199.07539	2.2
201.05379	1.7
201.09155	2.5
203.06966	2.4
203.10614	12.4
211.05954	4.7
213.05513	6.7
213.09091	43.5
215.07149	1.8
215.10611	4.0
229.08583	2.7
231.10185	25.0
241.08600	33.7
249.11205	4.8
259.09622	15.1
277.10657	11.5
291.12152	2.5
295.11752	28.2
317.10245	3.1
335.11221	5.5
337.12817	7.2
363.10696	16.6
381.11774	100.0
382.12119	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79729	3.9
60.54596	4.2
60.58308	5.1
61.03659	4.2
69.97283	10.3
69.97678	12.9
70.79221	4.3
71.95554	3.8
98.20811	5.8
120.25795	5.0
354.63474	4.8
381.07895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63314	3.2
69.54515	24.3
69.54910	6.2
98.21483	4.3
118.16764	3.1
183.60417	3.3
193.68777	3.0
263.96768	3.3
289.12540	3.5
381.07953	100.0
386.13400	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	381.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88496	0.4
55.05505	0.5
56.96576	0.7
60.04535	0.5
61.61688	0.4
67.05501	0.8
69.03399	0.4
69.07065	0.6
70.06607	2.4
71.04987	0.6
71.45011	0.9
72.08150	1.7
77.43417	0.3
79.05476	0.5
81.07065	0.9
84.04497	0.7
84.08141	1.6
85.02901	1.0
86.09686	1.9
91.05481	0.9
93.07034	0.4
97.02860	0.7
98.97594	0.7
107.08579	0.4
108.27676	0.4
109.02885	0.6
121.02872	0.4
129.10249	1.0
131.01942	0.7
134.99661	0.6
136.06203	0.6
137.06021	0.7
147.04433	0.6
151.07491	0.7
173.03015	0.5
180.02696	0.5
185.04263	1.2
195.05101	0.6
198.65535	0.4
213.06129	0.5
219.06247	1.3
225.53535	0.5
237.00639	0.7
240.04799	0.6
255.01741	0.5
255.07135	1.3
259.04376	0.4
259.28391	0.4
273.08203	2.2
276.25317	0.4
279.07034	0.4
297.08194	0.7
333.08167	0.6
354.32123	0.4
366.08020	0.7
381.11530	100.0
382.11899	1.3
399.11328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01865	2.2
55.05503	1.8
56.05039	12.4
56.96574	6.4
57.03426	3.6
58.06604	6.3
61.02919	2.0
67.05504	1.3
69.03436	7.9
69.07056	1.7
69.61633	3.9
69.62051	3.4
70.06589	3.6
71.04992	1.8
72.08146	1.4
73.02913	2.0
73.93029	1.0
74.06084	24.4
79.05512	1.6
81.03428	7.3
81.07062	2.3
83.08652	1.2
84.04507	11.0
84.08150	1.4
85.02907	20.0
86.09706	24.6
87.00837	5.8
87.04475	1.2
88.64323	1.1
91.03968	1.5
91.05473	5.5
93.07049	3.9
95.04986	2.0
97.02895	7.7
99.04461	3.3
101.07149	22.3
102.05566	1.7
103.05487	4.6
105.01873	6.8
105.07049	4.6
107.04967	1.2
107.08587	1.0
108.04501	1.7
109.02881	6.5
109.06522	1.0
115.05482	1.5
116.98629	2.5
117.07005	1.9
119.07338	4.4
119.08551	1.8
120.08115	91.1
121.06496	1.0
121.08412	2.1
126.05511	1.2
127.03950	14.0
130.06581	2.0
131.04872	1.2
131.08598	1.1
132.08105	3.7
132.10201	2.7
132.96397	1.0
133.02855	1.3
133.06485	2.0
134.99702	1.3
135.04417	1.8
137.06003	8.6
139.75165	1.1
143.07332	1.8
143.08578	1.5
143.11784	1.8
145.04959	5.8
145.10085	2.2
147.04359	1.5
151.07495	1.4
152.05670	3.0
158.09677	12.7
159.02905	3.2
159.08055	1.6
160.07460	1.5
160.11240	2.9
166.08641	1.6
175.07565	5.2
176.10692	14.6
177.10188	6.5
179.07124	1.6
180.07359	1.4
181.04970	4.5
182.05309	2.7
187.14421	20.6
197.01227	4.7
199.07571	1.0
203.11694	1.8
207.06590	3.3
208.06917	4.9
213.03860	1.1
213.09200	1.8
215.13852	6.4
219.01781	1.2
221.12865	100.0
222.13197	1.9
230.06686	1.1
231.05006	3.1
231.11179	1.0
237.02745	1.5
249.12370	21.1
275.06790	1.0
275.09470	5.0
279.17041	7.8
284.09894	2.8
284.60120	1.4
293.10400	2.8
373.06055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
56.05037	3.7
56.96286	3.7
56.96569	65.4
57.03435	5.9
61.02897	2.5
67.05505	15.4
69.03432	8.3
69.07068	3.2
69.99612	4.9
70.00032	8.5
70.06591	6.4
71.05028	2.8
73.02896	2.1
74.06075	10.0
79.05499	4.2
80.02641	1.8
81.03423	5.7
81.07053	16.4
81.07426	1.7
84.04489	4.3
85.02914	19.1
86.09702	13.1
91.05506	3.9
92.57088	2.1
93.07029	4.0
95.04948	3.5
95.08614	8.0
97.02899	8.7
97.40085	2.4
99.04469	5.1
101.07150	6.2
103.05458	4.4
105.01887	6.4
105.07020	2.5
107.08602	4.7
109.10154	61.8
116.98635	2.5
117.07083	2.7
119.08578	4.6
120.08116	46.9
121.10149	3.4
125.06006	7.0
127.03946	8.1
131.04886	3.9
132.10161	2.2
136.99356	2.6
137.06042	2.5
137.09622	100.0
143.08632	2.4
144.67430	2.2
145.04984	5.8
155.10681	28.1
158.09621	5.6
159.02959	2.4
159.04295	3.1
160.04883	3.1
161.01245	4.5
163.03896	2.5
165.09093	50.9
172.94357	7.3
176.10736	8.7
183.10201	23.4
187.03952	10.3
187.14450	5.6
188.04193	17.1
190.95329	14.3
201.11226	95.3
201.13052	4.8
202.11531	2.4
219.12347	6.0
221.12880	39.1
233.04854	3.0
245.11868	3.0
247.06381	15.2
249.04431	4.5
249.08063	15.8
249.12276	11.1
251.05916	6.6
257.08499	7.6
263.05966	6.8
265.07437	13.7
267.08945	11.0
273.07993	5.1
275.09525	28.8
277.07547	4.2
279.17209	2.4
287.05899	2.4
289.07605	6.5
291.09048	3.3
293.10538	17.5
299.69574	2.0
301.07504	10.1
303.12497	3.2
307.08679	5.5
319.08545	16.0
321.13223	3.2
327.02017	4.9
337.09644	5.1
345.03122	14.5
355.05219	16.5
371.04919	2.6
373.06210	20.9
399.04337	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	380.1817
Annotation	Asp Val Phe
Peak:m/z	Relative Intensity
53.03944	0.8
55.05510	6.5
56.05030	1.3
56.96550	1.0
57.92194	0.8
63.69612	0.7
67.05524	0.7
69.03409	1.7
69.58489	2.4
69.58913	3.5
69.62937	0.7
70.02927	0.9
70.06593	5.2
72.08156	66.1
74.06073	2.1
76.07823	0.8
79.05491	1.1
81.03416	1.0
81.07057	1.2
82.06583	5.9
84.04497	1.6
84.08131	3.3
85.02908	4.1
85.04031	0.9
86.09698	3.3
88.03983	10.5
91.05460	1.5
93.07027	1.1
96.08119	2.2
96.36795	0.7
97.02873	1.7
98.02414	3.8
98.09710	0.8
98.97582	1.9
99.09216	3.2
101.91550	0.7
103.05459	1.9
105.07030	1.2
107.08552	0.8
110.07140	1.0
116.98578	1.3
120.08105	41.0
121.08469	1.4
124.07573	2.0
127.08682	16.3
128.07089	2.4
129.10191	2.0
131.04939	1.4
134.99603	1.1
136.07629	1.6
141.10263	2.1
142.08636	25.2
146.99683	0.8
149.05981	1.3
152.07028	0.9
166.08655	20.6
169.09738	5.7
170.08136	2.3
177.00732	1.0
187.10780	100.0
188.10971	1.2
198.07773	0.9
215.10260	23.3
219.11328	1.5
222.03029	0.8
265.15427	1.3
266.08243	1.3
291.96573	0.8
380.17444	1.4
381.11578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42045	2.1
51.64143	2.3
53.03938	11.2
55.01867	11.3
56.05031	10.8
56.96292	2.5
56.96564	40.6
57.03437	6.0
58.06599	6.6
60.04521	4.1
61.02919	8.5
62.45910	2.4
67.05495	4.4
67.40222	2.5
68.99792	2.4
69.03433	30.6
69.07059	3.3
70.03770	3.0
70.06590	4.2
71.04992	9.3
71.59930	3.1
72.08144	3.8
73.02909	10.5
74.06087	23.7
79.05496	3.3
81.03417	40.7
81.07052	5.5
82.15826	2.2
84.04498	10.3
84.08163	3.0
85.02903	100.0
86.09698	22.9
87.00835	39.3
91.03973	3.6
91.05478	8.3
95.08600	4.0
96.22654	2.4
97.02886	53.4
98.06077	3.7
98.97575	2.6
99.04439	15.4
101.07139	21.2
103.05455	5.0
105.01863	54.9
105.07047	7.7
108.04460	18.0
108.82285	3.2
109.02873	36.6
109.10167	13.7
116.05012	2.3
117.01810	4.5
117.07018	2.8
119.07340	5.2
119.08574	5.3
120.07237	3.8
120.08107	78.1
121.06557	2.7
126.05505	7.7
127.03913	76.9
129.01788	3.6
130.06491	2.7
132.08061	3.9
137.05957	12.6
137.09634	16.2
145.04961	41.7
147.02837	3.3
149.13864	2.2
155.10674	5.4
158.09656	8.9
159.02888	24.3
159.04146	3.7
161.01215	5.3
165.09132	10.7
172.94254	5.3
173.09705	2.8
175.07530	6.2
176.10648	12.3
181.64482	2.8
183.10165	3.7
187.03911	7.7
187.14444	15.8
188.04221	7.0
189.03989	3.3
190.95378	9.2
197.01256	4.0
201.11255	14.8
213.03929	4.1
215.13892	6.1
219.01888	3.5
221.12846	90.5
230.06651	3.9
231.03053	3.0
231.05008	15.6
233.04784	3.0
247.06340	8.1
248.07765	8.0
249.07956	9.1
249.12273	16.5
251.06001	3.9
257.08475	4.5
265.07547	8.7
266.08896	2.9
267.09055	6.2
275.09515	22.0
279.17056	7.1
284.09875	4.3
289.07364	3.8
293.10620	7.5
293.96442	2.6
301.07513	4.8
303.12411	3.1
319.08591	11.1
321.13345	5.7
327.02106	4.4
345.03143	7.8
355.05228	9.0
373.06332	15.3
399.04224	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	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	5.4
55.05508	12.7
56.00107	1.4
57.07079	19.2
59.18319	1.3
65.73742	1.4
67.05503	15.5
69.07064	19.0
71.04987	3.7
71.24737	2.3
79.05495	10.8
81.07053	28.4
83.04971	5.6
83.08613	8.3
85.06543	12.4
91.05476	6.0
93.07040	19.7
93.86253	1.5
95.04963	2.4
95.08605	19.9
97.06530	6.7
97.10156	2.5
98.06856	1.6
105.07027	6.2
107.08589	17.1
109.06507	13.8
109.10170	8.6
111.04462	8.7
111.08080	3.6
119.08581	8.9
121.10157	9.8
123.08050	11.6
123.11687	3.7
123.88310	1.5
125.05985	6.5
128.26149	1.5
130.05252	1.5
131.08540	3.2
133.10127	6.1
135.08064	14.6
135.11685	8.1
137.05968	37.8
137.09593	3.2
137.13287	2.0
139.07487	2.9
145.10158	2.9
147.08067	1.9
147.11673	5.7
149.09622	4.4
149.13283	4.5
151.07506	6.0
151.11186	2.8
152.08316	3.6
153.12743	3.9
157.10136	1.9
159.11676	2.6
160.48907	1.3
161.09595	3.2
161.13268	2.1
163.11198	2.3
165.09103	7.7
165.12796	4.8
171.11652	1.7
175.11169	3.3
177.12743	7.5
179.10591	2.6
179.14282	1.9
191.14354	1.4
193.12193	4.3
207.13765	3.0
221.18661	1.2
231.17336	1.9
233.18935	2.1
263.20093	10.8
275.20013	1.7
276.21048	1.4
277.18005	4.0
277.21231	1.4
289.21396	1.4
291.19592	2.2
305.24820	2.9
319.26309	13.5
323.22269	2.1
329.24771	3.9
347.25790	82.0
348.26205	3.8
351.28931	36.1
352.29187	1.6
361.27319	9.8
377.57693	1.5
379.28412	100.0
380.28745	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	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03967	2.4
55.01881	2.6
55.05513	20.6
57.03411	2.4
57.07070	14.4
67.05511	21.5
69.07067	24.6
70.79213	3.4
70.79559	4.4
71.05009	2.5
71.08629	8.4
71.22152	2.0
79.05492	16.8
81.07050	28.2
83.04959	9.0
83.08602	8.3
85.06532	10.6
91.05480	13.7
93.07043	33.0
95.04971	4.2
95.08610	29.1
97.06525	10.9
97.10172	3.2
99.08077	3.5
105.07034	9.6
107.08595	30.6
109.06494	14.8
109.10143	12.9
111.04434	32.5
111.08089	4.6
117.06985	2.7
119.08564	11.6
121.06469	4.1
121.10131	13.0
123.08054	8.9
123.11711	3.6
125.06007	19.7
131.08620	3.0
133.10107	8.1
135.08080	16.8
135.11655	20.6
137.05965	13.1
137.13239	5.8
145.10124	9.3
145.53661	2.4
147.11662	4.5
149.09567	2.3
151.07570	4.2
151.11201	3.5
153.12726	8.1
161.13258	3.8
163.11157	9.2
165.09074	3.0
165.12769	3.8
173.13229	2.1
175.11205	3.3
175.14827	2.4
177.12788	3.8
179.14337	4.7
180.36121	2.0
181.12233	8.0
193.12314	3.1
195.13776	8.1
207.13701	2.8
221.19011	6.2
263.20065	5.8
287.23651	3.2
305.24744	87.7
306.25116	5.8
319.26346	22.8
329.24826	3.4
347.25781	100.0
348.26172	7.4
351.28909	19.2
361.27371	12.6
379.28418	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	379.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.5
55.05509	2.3
56.96538	2.0
57.03426	1.8
59.78569	1.0
67.05492	2.5
69.03437	1.6
69.07039	1.3
70.36240	4.6
71.04986	1.3
75.15734	1.1
79.05473	2.9
80.79125	1.3
81.03362	1.5
81.07047	4.8
83.05023	1.2
85.02900	2.1
85.06526	1.4
89.56828	1.0
91.05466	8.3
93.07027	5.3
95.04948	2.4
95.08610	4.3
98.97581	2.0
105.07025	30.5
107.04971	2.7
107.08602	2.7
109.06515	11.1
109.10149	1.4
115.05420	3.3
116.98669	1.3
117.07026	4.0
119.04919	3.7
119.08585	9.7
121.06488	5.0
121.10130	2.0
128.06235	16.2
128.34079	1.2
129.07019	6.1
131.04977	1.5
131.08589	12.2
133.06517	3.5
133.10129	8.9
135.08047	2.7
141.06963	4.3
142.07768	7.9
143.08559	32.0
144.05704	2.7
145.06499	10.0
145.10081	3.9
146.07182	1.9
146.44885	1.2
147.08098	7.6
149.05946	2.4
155.08565	1.5
157.06540	1.7
157.10139	12.9
158.07257	4.5
159.08049	21.3
160.08736	1.3
161.05988	4.2
161.09616	26.1
163.07570	3.5
167.08569	2.3
170.07269	4.2
171.08054	29.6
173.06001	4.4
173.09604	1.6
174.06725	1.5
175.07504	1.9
175.11043	1.1
177.00636	1.7
179.10643	6.3
185.09610	23.2
187.07484	2.1
188.08310	3.1
189.09105	84.1
195.08026	2.4
198.06743	5.1
201.09045	1.8
203.10692	6.9
207.10168	11.3
213.09090	18.9
219.10179	1.8
221.11771	1.3
231.10141	13.2
241.08594	2.7
246.06026	1.1
248.17851	1.1
249.11032	1.3
259.09601	2.0
265.12820	1.1
277.10703	100.0
358.50613	1.2
379.16812	1.6
379.21176	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.2
56.96568	12.1
57.03418	4.8
61.84511	4.4
67.05506	10.0
69.03426	10.0
69.07059	7.1
71.05008	6.6
71.60506	4.8
78.26394	4.5
79.05476	14.2
81.07055	25.9
83.04966	23.6
85.02961	6.5
91.05474	17.4
93.06520	5.5
93.07021	24.4
94.11539	4.8
94.19655	5.0
95.04955	8.0
95.08598	20.8
97.06506	6.6
98.97597	7.2
100.11261	6.2
101.05971	8.0
105.07016	48.1
107.04921	5.7
107.08580	20.8
109.06522	17.5
109.10143	9.5
116.98603	9.0
117.07047	7.1
119.08592	23.1
121.06529	7.0
121.10142	7.3
128.06209	17.6
129.06981	9.9
131.08580	25.1
133.06491	7.6
133.10120	18.1
134.99667	7.4
135.08054	8.0
141.06953	12.8
142.07718	10.1
143.08556	40.5
144.05695	4.9
145.06503	19.7
145.10161	12.2
147.08081	12.4
147.11627	4.2
152.06268	6.4
157.10121	13.3
158.07253	7.3
158.99686	5.7
159.08073	26.7
159.11639	5.9
161.09613	35.1
163.07605	6.6
167.08540	6.5
171.08046	35.4
173.05956	10.2
175.11147	6.0
179.10645	11.6
185.09674	27.0
189.07417	5.2
189.09099	98.4
189.10728	7.3
190.09531	5.6
191.10724	5.9
198.06769	8.1
203.10756	5.5
207.10216	12.6
213.09143	26.7
224.22867	5.9
231.10172	11.4
277.10736	100.0
277.13651	4.6
346.58221	6.0
379.20779	9.0
379.24939	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	378.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	2.2
56.96565	36.0
58.98666	0.9
59.59059	0.9
67.05484	1.1
67.21583	0.9
67.93398	1.0
70.05565	3.7
71.95258	4.9
72.96053	2.6
74.97588	1.5
84.96043	1.2
92.98641	1.0
95.59513	0.9
110.97569	1.5
115.97842	1.1
116.98625	0.9
128.98576	3.5
131.00169	0.9
137.02750	1.5
146.99664	7.0
155.03761	1.3
161.01138	1.1
165.00673	1.6
169.05412	1.6
179.02203	1.1
189.04367	1.6
193.03851	1.2
214.63472	1.0
223.10165	1.4
239.09676	1.0
241.11092	20.6
259.12180	35.9
260.12524	1.2
264.12787	3.7
282.13794	3.9
319.19403	28.0
337.20477	94.2
338.20883	6.1
355.21552	100.0
356.21918	5.1
360.22101	10.8
373.22571	6.5
378.23148	22.0
396.58780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03770	1.5
55.05515	2.3
56.96568	1.4
58.99858	1.9
67.05503	2.2
67.19247	1.5
69.07045	3.7
69.83026	10.3
77.00907	6.8
81.07077	2.3
83.08644	1.8
83.22429	1.4
93.07057	2.1
95.01958	6.4
95.08602	3.4
95.81055	1.5
96.15161	1.6
100.90763	1.7
131.01929	2.1
161.06453	1.9
173.06648	2.2
201.09799	7.7
207.08765	3.2
211.04549	1.6
213.09779	1.9
215.11327	3.5
219.10815	7.1
225.09685	12.9
231.10817	3.9
243.10785	60.5
244.11104	3.4
245.12378	2.2
248.11629	1.9
257.12360	2.0
261.11826	6.8
266.12375	7.6
271.13998	1.8
307.21213	2.2
319.21140	11.8
325.22144	3.3
337.22226	51.2
338.22281	3.5
355.23312	100.0
356.23544	7.1
360.23801	2.6
378.24786	14.5
379.25241	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15191	0.5
67.05475	0.9
69.03416	1.1
70.06584	1.3
71.18568	1.6
72.23536	0.6
79.05465	1.0
81.03407	0.7
83.08602	0.7
85.02898	0.9
86.09683	1.5
91.05476	7.9
93.07016	0.7
95.04972	0.6
95.08624	0.8
96.18430	0.5
97.02882	0.8
97.06511	1.0
98.96912	0.6
105.07006	1.0
107.04981	0.6
107.08594	0.7
109.06523	0.6
113.44881	0.5
119.01908	1.3
119.08552	1.3
123.08025	0.7
129.06847	0.6
131.08556	0.8
133.10074	0.6
145.03522	0.6
147.11693	0.7
155.01863	0.8
161.02837	0.6
166.08778	0.6
209.06514	0.6
212.84229	0.6
227.05302	1.7
231.66364	0.6
257.12863	0.7
271.04321	2.7
293.09985	4.0
311.09781	2.2
317.09872	1.6
335.10989	35.4
336.11533	1.3
379.09961	100.0
380.10205	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48752	0.4
55.05486	0.5
56.96549	1.5
65.03940	0.7
67.09638	0.4
69.03426	1.2
69.07073	0.6
70.06589	4.2
71.04991	0.5
71.59217	0.6
71.59631	0.8
72.08155	6.1
81.03397	0.6
81.07053	0.6
83.05001	0.7
84.04498	1.4
84.08126	1.5
84.73061	0.5
85.02896	1.3
86.09708	3.3
91.05471	2.1
97.02886	0.7
98.97586	1.2
103.05437	0.6
109.02911	0.7
116.98603	1.1
119.04988	2.2
120.08090	3.2
125.05929	0.8
129.10251	1.2
131.04912	0.7
134.99611	0.8
143.78358	0.6
145.02823	1.2
147.04411	8.6
148.04716	0.8
161.01227	0.6
163.03952	0.8
177.05527	1.3
177.10291	0.6
185.04195	4.9
214.12006	0.8
215.35306	0.6
217.04713	4.9
219.01901	0.6
237.02823	0.8
275.08234	0.7
301.79593	0.5
305.09225	0.6
379.09973	100.0
380.10226	2.5
397.09915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23853	15.0
55.05503	55.6
67.05504	79.8
69.03431	34.6
69.07065	31.5
69.58266	28.1
69.58679	75.1
70.06570	13.1
71.05005	15.3
79.05500	34.9
81.03430	21.1
81.07065	100.0
83.04975	40.6
83.08628	29.8
85.02914	37.1
85.06554	21.7
91.05472	50.7
93.07037	64.9
95.04982	26.9
95.08591	90.6
97.02924	17.7
97.06563	24.5
98.20783	15.2
103.87397	13.2
105.07044	56.6
107.08598	34.0
107.22913	13.5
109.06523	27.6
109.10147	20.5
119.08594	63.6
121.06481	14.6
121.10168	25.6
123.08099	16.6
131.08553	21.7
133.10114	59.5
135.08073	20.4
137.09651	25.0
137.13367	17.5
139.07605	17.5
141.10153	18.7
142.03221	24.0
143.08551	23.7
145.10095	31.4
148.27362	14.3
149.09639	36.5
151.07555	28.0
159.11679	16.1
161.13251	89.1
173.11748	39.6
173.13249	21.7
179.14368	84.4
181.04750	13.8
218.78705	18.5
255.11432	16.3
305.17395	19.3
323.18524	18.2
335.18521	19.2
366.54333	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	377.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	42.0
57.68290	21.2
59.85152	22.5
65.59457	24.2
67.05508	74.7
69.03423	31.0
70.89252	80.5
71.04970	31.1
79.05473	42.5
81.03420	28.3
81.07051	100.0
83.04996	49.4
83.08623	43.3
85.02923	23.7
85.06545	35.9
91.05484	53.0
91.48043	22.4
93.07025	68.5
95.04993	38.2
95.08600	99.3
97.02905	27.3
97.06538	32.3
100.11263	37.5
105.07026	60.5
109.10172	38.2
111.08087	34.4
117.07019	22.4
119.08549	44.8
122.35481	27.2
133.10126	40.1
139.07552	27.9
145.10060	28.6
151.07542	30.5
161.13284	94.8
173.11809	55.2
179.14326	55.3
197.15382	33.2
323.18433	45.3
365.26709	28.2
377.19559	37.3
377.26126	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38254	6.2
54.88870	5.0
55.05506	22.9
55.65979	5.1
56.96562	7.2
57.02652	5.9
57.03455	5.5
63.87401	5.2
67.05498	42.5
69.03413	13.4
69.07061	26.5
70.55001	6.0
71.05001	13.0
72.70176	5.9
79.05486	19.5
81.03423	10.2
81.07046	74.3
83.04976	12.0
83.08601	13.7
84.41986	5.7
84.96001	5.2
85.02908	12.5
85.06529	11.4
91.05489	42.8
91.07239	5.7
93.07049	34.9
95.04964	13.5
95.08601	88.9
97.02907	5.6
97.06534	18.6
97.10179	7.1
98.97623	5.5
99.08097	8.4
103.05436	9.0
105.07030	35.3
107.04948	25.7
107.08592	20.6
109.06533	9.6
109.10146	19.1
111.04411	7.8
115.83922	6.2
117.07048	7.9
119.08563	38.6
121.06542	9.2
121.10151	16.6
123.08060	13.3
131.08562	17.1
133.10117	29.8
134.99661	7.4
135.08041	12.2
135.11678	22.1
137.05957	17.8
137.09669	6.1
137.13252	18.9
142.07835	6.2
145.10133	17.5
146.06030	15.3
147.11696	6.7
151.07629	7.3
157.10114	14.2
159.11613	12.0
161.13261	100.0
171.11659	7.1
173.11771	8.2
173.13232	11.7
179.14311	93.9
197.13361	6.0
197.15375	21.5
213.09158	9.0
368.18231	7.2
377.10138	28.2
377.23514	7.8
377.28271	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.38124	0.8
53.03936	2.0
56.96550	1.2
57.03436	7.8
61.02913	3.3
69.03427	13.1
70.06577	2.4
70.54349	3.5
71.01312	1.4
71.04995	4.4
72.08118	1.0
73.02905	1.8
75.04464	2.9
79.05475	1.2
79.23870	0.9
81.03420	6.1
81.07030	1.6
85.02895	2.0
86.09715	0.9
91.05463	0.9
91.72472	0.8
95.04936	1.6
95.08572	1.0
96.10920	1.0
97.02824	1.0
98.97568	1.6
99.04452	4.7
105.07014	1.4
107.08562	1.2
112.17487	0.9
116.05824	0.9
116.57230	0.9
116.98608	1.0
117.51241	0.8
120.08090	2.1
121.06530	0.9
130.06503	1.1
132.95885	1.4
137.05974	4.1
139.01945	0.9
145.07597	1.9
147.08038	1.5
151.03888	1.4
158.97345	2.3
162.97026	1.3
167.06996	1.5
168.83717	0.9
170.07008	1.4
172.08688	27.2
175.08696	1.2
190.09818	1.3
197.08005	1.3
197.09676	1.2
198.06601	5.6
200.08154	3.2
216.07687	17.1
216.97935	2.2
218.09254	1.0
234.12338	1.1
234.98885	5.8
243.08763	68.8
244.09138	2.0
253.00128	1.0
284.73904	1.1
291.05258	1.4
293.09003	2.0
309.06265	1.8
310.06409	1.1
335.10184	1.6
359.13474	3.6
377.14539	100.0
378.14731	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	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01859	0.9
55.05508	7.5
56.96555	1.6
57.03441	2.5
57.36680	0.5
61.02920	1.6
67.05503	5.8
68.62445	0.5
69.03436	6.6
69.06718	0.7
69.07067	9.9
70.06588	1.9
70.07395	0.5
70.89655	0.4
71.04986	1.2
71.59034	1.0
72.08148	0.9
73.02911	1.4
73.06553	0.5
79.05478	2.9
81.03424	3.1
81.07059	15.1
81.88631	0.5
83.04987	1.5
83.08624	7.7
84.08130	2.0
84.95995	0.8
85.02421	0.9
85.02905	14.2
85.06535	1.0
86.06075	0.6
86.09712	5.4
87.04469	1.0
91.03941	0.7
91.05484	3.8
93.07060	4.3
95.04969	1.0
95.08608	20.5
97.02895	7.5
97.06531	3.5
97.10172	3.3
98.97582	1.4
99.04462	1.0
99.08069	1.3
101.06026	0.8
103.05458	0.5
104.34476	0.5
105.07024	5.1
107.04955	9.6
107.08601	2.7
109.02869	1.8
109.06491	0.9
109.10156	1.7
111.04432	0.6
111.08112	1.2
115.07552	0.5
116.07095	2.6
116.98657	1.1
119.08587	6.8
120.08102	2.7
120.08847	0.5
121.06485	0.8
121.10143	1.7
123.08068	2.1
127.03914	2.2
131.04921	0.8
133.10132	5.2
134.99632	0.7
135.11685	3.7
137.05978	2.3
137.09657	1.1
137.13266	5.1
145.04922	1.3
149.13248	0.6
151.03885	1.3
153.05489	0.6
161.06001	0.6
161.13254	12.9
161.14589	0.7
163.07533	1.4
165.05450	0.6
167.07083	0.7
171.11635	0.6
175.07587	0.8
175.71602	0.5
179.14342	3.2
181.08652	0.8
189.00621	0.6
196.16975	4.3
199.18037	0.7
213.09241	0.5
214.18019	100.0
215.18364	4.4
219.01892	0.6
220.16907	0.6
222.17604	0.9
233.16508	1.6
245.03282	0.7
256.19028	0.8
258.05765	0.8
269.03220	0.6
292.18820	0.7
305.04535	0.5
322.20172	0.6
325.07544	3.1
331.07156	0.7
332.05518	2.0
334.08008	1.0
340.21274	1.5
358.22305	2.9
359.06799	0.9
376.23349	8.4
377.07712	7.9
377.11981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96566	20.8
71.59898	0.8
71.95274	2.8
72.96040	0.6
74.97597	1.2
81.07094	0.5
82.85347	0.4
84.96029	1.2
92.98634	0.6
97.96820	1.1
98.97563	0.7
110.97563	2.1
115.97859	1.1
123.01164	1.1
128.98596	5.7
133.98831	0.8
134.99622	0.7
137.02789	0.6
146.99648	11.1
147.00778	0.9
152.15384	0.5
155.03799	1.3
156.14914	0.6
159.03247	0.6
161.01260	1.8
165.00726	2.7
170.01231	1.4
175.02666	0.5
179.02347	0.6
179.07558	0.5
189.04335	1.7
203.05870	1.3
213.08063	0.5
223.08455	0.8
249.07967	0.6
263.09503	1.7
276.20404	0.6
277.11090	1.6
278.11887	0.7
309.13541	0.6
317.17844	23.7
318.18079	0.6
333.17337	2.9
335.18921	100.0
336.19211	1.8
353.19989	36.5
354.20267	1.0
356.19296	0.5
358.20532	16.2
359.20743	0.7
371.20700	0.6
376.21619	4.4
376.25647	0.8
376.37173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	32.2
58.97891	3.5
71.44090	3.6
71.60712	6.0
71.61084	4.0
127.60095	3.8
134.99611	4.2
146.99620	9.8
157.81157	4.0
162.86890	3.9
189.04507	5.1
199.02766	5.6
213.07944	12.2
217.07460	5.7
229.07568	6.5
231.08960	28.0
241.07475	4.3
247.08620	7.5
259.08817	4.4
323.18704	4.8
335.18915	56.1
353.19989	100.0
371.21005	9.1
376.21683	23.2
376.25772	6.7
387.90271	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01873	0.8
56.96558	0.6
57.03433	1.2
61.02929	3.3
69.03428	5.6
70.06588	1.8
70.38991	2.1
74.06058	0.6
75.16305	0.5
81.03413	2.1
82.45211	0.6
84.04523	0.6
85.02905	22.5
86.09701	2.2
87.04443	0.8
91.03938	2.1
91.05466	1.3
97.02887	5.5
109.02874	2.0
119.04960	0.6
121.06488	0.7
127.03937	4.3
137.05977	100.0
138.06346	1.2
145.04964	6.2
147.04454	2.9
148.04669	0.6
149.06007	1.3
151.03915	0.6
151.07556	0.9
162.07617	0.6
163.06026	0.6
171.01939	0.5
179.07036	38.0
180.08699	1.3
187.14505	1.2
193.04973	1.3
197.08110	4.9
237.02782	0.8
329.10077	0.7
334.30655	0.7
359.11420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96566	20.8
71.59898	0.8
71.95274	2.8
72.96040	0.6
74.97597	1.2
81.07094	0.5
82.85347	0.4
84.96029	1.2
92.98634	0.6
97.96820	1.1
98.97563	0.7
110.97563	2.1
115.97859	1.1
123.01164	1.1
128.98596	5.7
133.98831	0.8
134.99622	0.7
137.02789	0.6
146.99648	11.1
147.00778	0.9
152.15384	0.5
155.03799	1.3
156.14914	0.6
159.03247	0.6
161.01260	1.8
165.00726	2.7
170.01231	1.4
175.02666	0.5
179.02347	0.6
179.07558	0.5
189.04335	1.7
203.05870	1.3
213.08063	0.5
223.08455	0.8
249.07967	0.6
263.09503	1.7
276.20404	0.6
277.11090	1.6
278.11887	0.7
309.13541	0.6
317.17844	23.7
318.18079	0.6
333.17337	2.9
335.18921	100.0
336.19211	1.8
353.19989	36.5
354.20267	1.0
356.19296	0.5
358.20532	16.2
359.20743	0.7
371.20700	0.6
376.21619	4.4
376.25647	0.8
376.37173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18478	0.8
53.03957	1.1
55.01865	0.9
55.05490	1.3
56.05015	0.9
56.96564	2.0
57.03420	2.2
61.02918	3.4
67.05500	1.0
69.03432	5.7
70.06596	8.8
70.10954	1.3
70.11372	3.0
72.08144	3.3
73.02921	1.8
74.06102	1.4
80.58537	0.8
81.03439	2.1
84.04496	3.4
84.08154	2.5
85.02902	22.9
86.09708	10.8
87.04501	0.8
87.10046	1.5
88.03995	1.7
91.03954	1.5
91.05498	2.1
96.04520	1.1
97.02893	6.9
98.20793	0.9
98.97567	1.5
102.05489	1.0
103.05481	1.0
109.02877	1.7
110.07147	2.8
116.07032	1.4
116.98646	1.0
119.04951	1.8
120.08120	1.9
121.06493	2.0
127.03937	5.3
129.10272	1.4
130.08627	1.0
131.04979	1.1
134.99693	0.9
137.05975	100.0
138.06297	2.0
145.04984	4.9
147.04388	1.2
149.05960	1.8
151.03868	1.4
151.07510	2.5
161.05959	2.4
165.05515	1.1
167.07104	1.4
178.02626	1.5
179.07040	35.3
180.08768	2.0
181.04889	1.1
191.07121	0.9
193.04948	1.5
197.08131	5.2
201.12376	3.2
219.01891	1.0
232.69786	0.9
237.02872	1.2
269.15982	1.2
269.65057	0.9
330.10687	1.2
360.83411	0.9
361.59268	0.9
376.15012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.289
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03937	2.2
55.01867	4.6
55.05514	26.5
57.03431	2.6
57.07066	5.3
60.93471	1.2
65.03926	4.0
67.05504	64.8
69.03417	2.7
69.07066	19.8
70.06567	2.7
71.04982	9.8
71.60720	1.3
71.61082	1.7
79.05495	52.8
81.03424	1.5
81.07058	100.0
83.04996	6.2
83.08617	17.5
85.06541	4.5
88.07623	2.4
91.04895	2.0
91.05481	46.7
93.07045	45.6
95.04958	8.6
95.08608	77.7
96.08983	1.2
97.06535	15.0
97.10142	4.8
99.08089	8.1
102.09171	2.5
103.05476	1.6
105.03390	1.5
105.06384	2.3
105.07030	32.9
107.04948	4.4
107.07872	1.6
107.08593	23.6
109.06502	5.3
109.10155	16.9
111.08109	6.0
113.00024	3.9
113.09604	6.1
117.06994	11.0
119.08580	38.6
121.06493	3.8
121.10136	20.4
123.08043	6.0
123.11690	3.5
129.06990	4.3
131.08556	14.6
133.10136	22.6
135.08026	3.7
135.11690	19.0
137.09612	4.7
137.13269	1.9
141.06975	1.5
142.56909	1.4
143.08546	4.3
145.10130	17.7
147.08160	1.5
147.11690	7.8
149.02318	1.5
149.09613	4.6
149.13261	5.4
151.11127	1.9
157.10126	5.3
159.11711	10.0
161.09618	2.6
161.13260	34.1
163.11145	8.0
163.14761	2.2
165.12799	1.7
169.02612	2.8
169.10172	2.1
170.99062	3.7
171.11717	6.5
173.13254	4.9
175.11159	1.5
175.14809	5.0
177.12726	4.6
179.14311	34.5
183.11632	1.6
185.13219	3.9
187.11198	1.5
187.14790	2.9
189.00127	6.1
189.12738	2.7
193.12300	1.7
197.13472	1.2
199.14799	3.0
201.12773	1.7
201.16251	2.8
205.12289	1.5
207.13773	2.3
211.14754	1.7
212.99995	1.4
215.17772	1.6
227.01674	3.9
227.17938	2.2
228.01747	1.3
231.17384	3.1
233.15382	1.9
245.18898	2.1
255.20906	1.5
259.20572	1.7
263.20132	3.8
291.23297	1.6
311.27408	1.5
312.32825	1.5
313.32925	5.5
321.25854	2.1
324.46875	1.3
329.28247	1.4
339.26816	10.4
357.23532	2.3
357.27863	31.5
375.24905	8.8
375.28976	29.6
375.36456	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	375.2892
Annotation	15-HTPE
Peak:m/z	Relative Intensity
51.02369	0.7
53.03930	3.0
55.01866	3.2
55.05510	21.5
55.05782	1.2
57.03442	2.9
57.07072	3.0
59.04995	0.7
65.03936	2.4
66.04704	0.6
67.05502	65.5
69.03434	1.9
69.07065	19.7
71.04990	9.5
71.36935	1.0
73.06564	0.5
77.03902	0.6
79.05491	53.4
81.03419	1.4
81.07054	100.0
82.07378	1.2
83.04977	7.7
83.08616	15.8
85.06544	5.9
91.05478	44.3
93.07041	52.0
95.04972	10.5
95.08603	85.2
96.08923	1.2
97.06525	16.2
97.10172	4.2
99.04492	0.7
99.08097	7.3
103.05462	1.1
105.04545	1.0
105.07030	35.8
106.07344	0.9
107.04953	5.6
107.05605	0.6
107.08595	24.6
109.06520	4.9
109.10152	14.9
111.08081	6.1
113.06022	0.7
113.09653	5.7
115.05474	0.5
117.07014	11.2
119.08578	40.0
121.06506	4.9
121.10138	23.4
123.08080	6.2
123.11678	2.8
125.09648	2.0
127.07593	0.7
128.06187	1.0
129.07005	3.7
130.07828	1.0
131.08571	14.8
132.09244	0.5
133.06557	1.0
133.10126	25.9
134.10440	0.6
135.08069	4.3
135.11687	16.9
135.85651	0.5
137.09599	4.4
137.13255	2.7
139.07550	0.7
139.11234	0.8
141.06987	1.7
142.07799	1.1
142.57568	0.5
143.07065	0.6
143.07527	0.5
143.08582	4.5
145.10118	17.2
147.08066	1.7
147.11685	7.7
149.09595	4.0
149.13251	5.2
151.11151	1.2
151.14789	1.0
153.09151	0.8
155.08572	1.5
157.10123	4.9
159.08052	1.0
159.11691	11.4
160.12227	0.6
161.09650	2.0
161.13251	33.9
162.13745	0.6
163.11177	7.1
163.14871	2.1
165.12776	0.7
167.10704	0.6
169.10109	2.6
170.10834	0.6
171.11655	6.2
173.09691	0.5
173.13246	5.5
175.11217	2.2
175.14813	3.1
177.09200	0.6
177.12746	4.9
177.16345	1.0
179.14307	35.6
181.10152	1.3
181.12215	1.0
183.11632	2.7
185.13274	4.9
187.11189	1.3
187.14839	3.3
189.12758	1.8
189.16386	2.0
191.14262	1.4
195.11690	0.9
195.13800	0.9
196.12608	0.7
197.13304	1.4
197.15373	1.7
199.14795	3.1
201.12782	1.8
201.16336	2.5
203.14365	1.1
203.17935	1.2
205.12384	1.2
205.15820	0.7
207.13736	1.1
209.13306	1.1
209.15456	0.8
211.14828	1.2
213.16406	1.9
215.14288	1.0
215.17946	1.1
217.15866	0.7
219.13766	1.1
219.17574	0.6
221.15392	1.2
225.16319	1.2
227.18016	1.3
229.15866	0.7
229.19537	1.1
231.17474	2.9
233.15269	0.8
233.18983	0.7
235.17017	1.2
237.14749	1.2
239.17986	1.2
241.19592	1.9
243.17447	1.1
243.21106	0.6
245.19075	2.0
247.17070	0.9
247.20538	0.9
249.18549	1.5
251.16476	0.6
255.21011	0.6
257.18970	0.9
259.20667	2.0
261.18539	0.8
263.20001	2.7
265.19391	0.6
273.18326	0.7
273.22186	2.2
275.20108	1.0
277.21649	1.8
291.23157	0.6
311.27460	0.7
321.25690	2.7
329.28424	1.1
339.26782	8.7
357.27863	27.1
358.28149	1.7
371.27316	0.6
375.28952	33.5
376.29358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.05500	17.2
57.07053	5.1
61.94941	3.9
62.59012	4.9
63.99958	4.7
67.05503	40.3
69.07053	16.4
69.25710	26.9
69.26137	24.5
77.16737	4.9
79.05486	38.9
81.07056	64.2
88.09010	5.0
91.05484	73.1
93.07037	91.0
95.04977	43.0
95.08593	56.4
97.06529	10.5
97.49504	5.2
103.05482	5.2
105.07030	100.0
107.08604	49.9
109.06501	11.7
109.10122	14.8
117.07027	22.9
119.08575	89.1
121.06504	14.4
121.09428	5.7
121.10149	64.8
123.08091	8.3
128.06172	13.8
129.06972	15.2
130.07779	7.5
131.08546	43.8
133.10106	41.0
135.11646	13.0
141.07066	6.4
142.07784	25.1
142.61142	4.4
143.08536	24.0
144.09311	11.3
145.09068	4.8
145.10135	68.6
147.11661	17.6
155.08553	12.2
156.09312	9.0
157.10130	49.6
159.07954	5.6
159.11691	40.5
161.09612	13.6
161.13333	6.2
163.11189	5.6
167.08559	6.6
169.10178	13.9
171.11673	19.8
173.13229	19.5
175.14850	12.2
179.08546	5.7
181.10063	14.0
182.10791	7.1
183.11693	13.8
185.13228	9.2
187.11214	5.6
187.14827	16.0
193.10208	6.6
195.11696	12.0
197.13290	10.2
201.16414	6.9
207.11742	5.8
209.13239	14.4
211.14740	6.4
221.13103	7.3
223.14772	6.4
225.16168	6.2
235.14748	6.9
253.19434	7.5
283.72168	5.5
357.25809	10.2
375.26770	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	375.2374
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.17794	1.4
52.77683	1.5
53.03939	4.9
55.01857	6.5
55.05508	23.6
56.96291	2.0
56.96566	39.8
57.03441	11.5
57.07075	3.7
59.04985	3.9
61.02924	12.6
67.05499	13.4
69.03428	33.8
69.07065	46.2
70.06587	3.5
71.04996	14.5
71.60308	2.3
73.02922	5.3
78.32505	1.4
79.05497	10.8
81.03414	15.9
81.07056	35.4
83.04985	11.5
83.08620	11.5
85.02905	90.6
85.06542	23.9
86.09698	3.6
87.04459	6.2
90.79948	1.5
91.03951	5.1
91.05466	6.7
91.28379	1.4
93.07052	17.8
95.04962	3.8
95.08606	46.2
97.02894	30.8
97.06535	10.6
97.10178	12.9
98.97598	1.8
99.04456	7.6
99.08094	26.2
105.07021	9.8
107.04942	2.0
107.08595	29.3
109.02869	11.5
109.06494	3.2
109.10161	19.9
111.04455	2.9
111.08065	5.4
111.11724	7.9
113.09650	10.8
115.00681	4.4
115.05450	1.6
117.07057	2.8
119.08580	4.4
120.08121	3.5
121.10143	40.5
123.08089	2.2
123.11707	12.4
125.09622	9.6
127.03910	20.3
127.11187	2.5
129.06985	2.0
130.14124	1.5
131.08617	3.2
133.01675	7.1
133.10109	2.1
135.08092	1.5
135.11685	21.4
137.05965	2.3
137.13235	21.7
139.11154	10.7
143.08572	3.7
145.04933	12.8
145.10106	6.6
147.08003	2.2
147.11653	1.7
149.01176	4.2
149.13272	5.9
151.02765	2.6
151.14810	5.1
153.12762	13.9
157.10101	1.8
159.03218	1.7
175.07532	2.2
177.09039	2.1
177.16380	100.0
181.10103	1.6
195.17439	48.6
199.11250	2.4
207.03352	4.0
212.97430	6.8
213.18468	51.6
215.03954	2.7
217.01648	1.6
221.75040	1.7
225.04387	2.1
227.72847	1.6
230.98427	3.7
233.04842	22.4
235.02771	12.8
247.02847	2.7
247.06366	2.1
251.05864	19.4
253.03847	7.0
255.07068	1.8
265.03574	2.3
265.07520	1.7
273.07956	21.8
288.70636	1.5
291.08987	16.0
296.09833	1.7
297.18146	2.0
335.02191	1.9
344.73093	1.8
353.03632	30.9
353.07635	3.1
371.04697	59.8
375.11481	2.3
375.18021	2.8
375.23676	4.7
376.05365	4.6
389.05756	1.7
394.06506	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2016
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
52.26736	0.9
53.03936	2.6
55.01867	4.4
55.05511	13.4
56.96566	4.1
57.03429	3.9
61.02928	5.2
67.05512	6.8
69.03429	13.5
69.07070	3.5
69.59627	7.8
70.06593	4.1
71.04997	15.7
72.08140	2.0
73.02899	2.3
75.68795	0.9
79.05495	6.7
81.03418	6.1
81.07056	10.4
83.04958	0.9
83.08616	7.8
84.96038	1.9
85.02908	26.1
85.06548	1.6
86.09716	2.6
87.04459	3.7
87.45556	1.0
91.03946	1.8
91.05483	3.8
93.07045	6.0
95.04971	2.8
95.08616	3.7
97.02896	11.2
97.06536	26.4
97.10177	14.1
98.10548	1.0
98.97608	4.8
99.04439	2.0
105.07041	2.2
107.08619	7.1
109.02889	3.0
109.06552	2.8
109.10149	4.1
111.08086	2.0
116.98628	5.1
117.07010	2.0
120.08115	2.0
121.06504	2.3
121.10146	1.5
123.04439	1.1
123.08106	1.3
125.09632	10.4
127.03902	7.8
128.98666	1.2
131.08623	2.2
133.06447	1.1
133.10129	2.4
134.99663	1.8
135.08075	2.0
135.11717	1.1
137.05992	2.9
145.04961	3.1
145.10156	2.1
146.99667	2.2
149.06012	1.9
151.03931	1.1
158.99727	1.1
159.11687	2.2
161.01253	2.3
161.05991	2.1
163.00845	1.1
167.07080	1.6
170.99706	1.6
177.00674	2.3
177.12793	2.9
179.07051	1.0
189.11241	1.8
191.07117	1.0
195.13795	16.4
213.14862	100.0
214.15253	1.3
219.01770	1.7
223.09612	1.1
237.02861	4.2
237.14897	7.1
255.15955	1.7
307.10672	10.3
321.17233	2.5
322.14648	1.0
325.11630	2.1
339.17755	1.1
352.46167	1.1
357.13403	1.4
375.14044	2.2
377.62955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01876	2.4
55.05516	0.9
55.06787	0.3
57.03434	0.8
61.02926	2.0
64.28465	0.3
65.03929	0.8
65.78524	0.4
67.05507	2.5
69.03447	2.1
69.07050	0.7
70.06590	1.0
71.04983	0.9
71.59889	0.5
72.08190	0.6
73.02905	0.7
74.00913	0.3
79.05508	2.6
81.03419	1.3
81.07060	5.3
83.04974	0.4
84.04513	0.3
84.08151	0.7
85.02914	2.8
86.09712	1.1
87.04475	0.5
89.80678	0.3
91.04956	0.6
91.05486	8.1
93.07072	1.6
95.01332	2.0
95.04961	1.5
95.08590	0.6
97.02892	1.8
97.06548	3.8
98.97590	0.6
99.04429	0.5
103.05440	1.0
105.07034	11.0
107.04965	1.7
107.08598	0.9
109.02882	1.0
109.10160	0.4
111.04444	0.8
113.02374	0.6
115.05452	2.4
116.06217	0.9
117.07023	17.6
119.04952	0.9
119.08584	1.6
119.38506	0.3
120.08092	1.0
121.06488	0.8
121.10168	0.5
123.04446	1.1
123.07967	0.4
125.02360	0.4
127.03934	1.4
128.06227	4.6
129.07013	7.7
130.06340	0.4
130.07797	5.2
131.04898	1.1
131.08582	2.8
133.06500	0.7
137.05994	2.5
138.09132	0.6
139.03891	2.5
141.06966	3.8
142.07796	5.7
143.04893	0.5
143.08571	21.0
144.09271	0.6
145.06450	1.4
145.10129	100.0
146.10469	2.3
149.05949	0.7
151.03893	1.4
152.06102	0.4
153.05455	0.8
153.06995	1.2
154.07803	0.9
155.03413	0.6
155.04924	0.4
155.08546	5.3
156.09384	2.0
157.05316	0.3
157.06552	2.1
157.10130	17.3
158.10425	0.4
159.08075	0.8
159.11711	1.3
161.05966	1.1
162.06985	0.3
163.07594	0.3
165.06989	2.0
166.07768	1.2
167.07175	0.7
167.08566	2.8
168.09360	1.3
169.04994	0.8
169.06517	0.9
169.10083	2.5
171.08092	0.8
171.11702	17.1
172.12387	2.1
173.05974	0.4
173.09587	0.7
173.13203	0.7
175.11217	0.4
178.07753	0.6
179.07112	0.6
179.08582	2.1
180.09285	1.0
181.05090	0.7
181.06572	0.9
181.10115	5.7
182.10793	0.5
183.08122	1.3
183.11690	3.9
184.08829	0.4
185.09618	3.3
185.13231	0.8
187.07515	0.6
187.11180	0.6
188.07040	0.4
191.08569	0.4
192.09282	0.7
193.10190	1.1
195.08162	0.5
195.11699	1.8
195.13795	1.1
197.09599	2.2
197.13162	0.9
199.11180	13.1
200.11746	0.7
201.03986	1.3
201.09111	0.9
201.12753	0.7
203.10753	1.8
205.10129	1.0
207.08315	0.5
207.11736	0.9
209.09625	1.5
209.13321	0.8
210.06636	0.3
211.07558	0.4
211.11169	2.9
213.05461	0.4
213.09113	0.4
213.12755	1.0
213.14915	1.0
215.05389	0.6
217.12241	4.2
219.11800	0.8
221.09714	0.5
221.13248	1.3
223.11290	2.5
223.14749	0.5
225.09143	0.7
225.12790	1.2
227.07188	0.4
227.10690	6.3
228.11018	0.4
229.12213	3.2
235.11166	0.4
237.09146	0.8
237.12846	0.9
239.10652	0.8
239.14319	0.9
241.12277	2.1
245.11859	0.4
247.11150	0.9
249.12764	2.0
251.10721	2.0
251.14433	0.4
253.12231	0.6
255.10201	0.7
257.11737	0.5
263.10693	0.4
265.12265	1.2
267.13785	2.9
269.11832	1.7
275.10696	0.4
277.12338	1.0
281.11774	1.5
283.13266	1.1
285.14896	1.6
287.13062	0.3
293.11682	0.7
295.13361	2.2
301.14328	2.3
311.12857	2.1
313.14355	5.2
327.12506	0.5
329.10321	0.4
329.13806	7.2
330.13855	0.5
339.12207	0.4
339.18143	0.5
347.14969	3.6
357.08984	0.4
357.13358	7.4
357.18610	1.0
375.14395	24.3
376.14709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Annulin C
Peak:m/z	Relative Intensity
55.01871	16.0
55.05500	6.9
56.83669	2.1
56.96551	7.4
57.03434	3.0
59.84253	2.2
67.05499	7.9
69.03418	13.6
69.07063	3.5
70.06582	6.2
70.83027	2.0
71.01364	2.3
71.04992	3.3
72.08149	5.5
73.02914	94.4
79.05499	10.0
79.83395	2.0
81.03413	6.2
81.07047	9.3
83.04980	3.8
83.08635	2.4
84.04488	5.7
84.08141	4.3
84.95998	2.8
85.02878	9.0
85.06538	5.3
86.09721	12.8
87.00824	2.9
87.10028	5.0
91.03929	3.2
91.05469	10.2
93.07040	5.6
94.04191	2.2
94.06567	2.7
95.04967	6.0
95.08636	5.2
97.02879	5.7
97.06509	3.5
98.20796	7.3
98.97606	6.0
103.05488	2.8
105.07021	12.3
106.06571	3.1
107.04942	5.4
107.08580	5.8
108.08113	6.0
109.02869	3.3
109.06512	6.6
109.10152	5.9
111.04408	3.4
115.05459	4.6
116.98602	7.1
119.04950	3.2
119.08553	4.1
121.05750	2.0
121.06483	11.5
121.10118	2.9
123.04430	7.6
123.08044	2.4
125.09633	12.9
125.88161	2.2
127.03894	2.8
129.06668	2.2
131.08574	2.4
132.10184	5.4
133.06490	5.8
133.10170	2.7
134.09662	6.9
134.65671	2.1
134.99681	5.2
137.05965	79.7
145.06474	3.0
145.10103	2.9
146.03609	4.5
146.99635	6.2
147.04369	2.1
149.05954	15.3
151.03867	4.9
151.07541	7.7
152.06192	5.9
152.10706	9.6
153.06943	4.8
161.04608	3.6
161.05978	67.7
162.06750	2.6
163.07437	2.3
165.05447	7.1
165.07014	9.1
167.07060	5.3
167.08514	3.8
169.06532	3.4
175.07510	6.0
177.05449	4.6
177.09053	12.6
178.04971	2.3
179.07069	3.2
180.05661	5.7
181.04912	7.2
181.06499	10.8
182.07253	7.8
183.08078	3.8
187.07529	2.5
188.07068	4.3
189.05397	5.1
191.05127	2.9
191.07036	14.9
193.06488	7.3
193.08516	4.7
193.12277	3.2
194.07297	8.9
195.06483	3.0
195.08113	5.3
196.05212	3.6
197.05969	9.6
197.09578	2.3
198.13106	3.9
203.07065	3.0
204.17503	3.1
205.06635	3.1
208.05206	11.3
209.06007	6.9
209.08083	7.1
210.06715	20.9
211.07530	14.5
211.13219	6.2
212.08275	3.7
213.05551	3.9
213.09117	11.0
213.16679	2.8
215.13837	3.1
216.14230	6.2
218.07494	2.2
219.01723	4.7
219.08115	2.6
221.05995	14.0
221.07872	3.4
222.06755	9.7
222.18512	7.6
223.07536	7.2
224.08305	4.4
225.05482	6.8
225.09084	16.4
233.08049	6.2
236.04680	5.3
237.02792	5.9
237.05267	3.2
238.06247	7.8
239.07097	7.0
240.07796	16.0
241.08502	10.1
244.13666	2.6
251.07048	9.8
253.04860	5.3
253.08588	100.0
254.09311	4.8
255.06982	3.3
255.10126	3.5
256.07196	2.7
258.08902	11.1
264.07730	2.9
265.08578	4.8
268.07306	5.3
269.08170	5.0
270.08884	33.5
271.09427	3.6
273.11212	39.9
277.08716	2.8
279.06586	6.2
279.10162	3.2
283.09607	7.6
284.10550	3.4
285.11215	56.3
288.27411	2.1
295.09665	6.7
297.11328	3.4
299.09058	17.2
300.06345	2.6
309.11325	2.8
311.09109	36.2
315.08725	20.3
325.10693	31.7
327.12180	5.4
331.20898	2.4
333.08688	2.2
339.12155	10.5
345.13321	25.8
357.13297	66.9
375.14377	36.1
375.19836	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	375.1436
Annotation	7'-hydroxymatairesinol
Peak:m/z	Relative Intensity
53.03949	3.0
55.01867	9.8
55.05482	1.0
58.14056	0.9
58.49842	1.0
65.03957	8.1
67.05492	4.6
70.72137	3.1
71.01343	4.9
79.05494	8.2
79.81087	1.0
81.03426	2.1
81.07058	2.1
91.05476	65.9
91.83473	1.0
93.03416	2.2
93.07034	2.7
94.04212	1.2
95.04976	9.7
98.21478	0.9
103.05481	7.2
105.03392	19.6
105.07021	7.3
107.04937	10.6
108.02118	2.1
108.05759	1.7
109.02880	2.8
109.06516	13.6
110.03654	1.4
111.04469	5.5
115.05469	2.3
117.06974	1.9
118.04174	5.2
119.04942	89.2
119.08591	1.2
120.05251	2.0
121.06518	5.7
121.92392	1.1
122.03611	1.5
123.04441	4.9
123.08045	6.3
124.05210	8.0
125.06008	7.4
129.06999	1.9
131.04904	5.3
133.02817	1.6
133.06497	7.5
135.04413	7.7
135.08063	2.8
136.01537	1.1
136.05215	3.1
137.05974	23.2
141.05452	4.0
145.10126	5.9
146.03606	2.9
147.04405	25.1
147.05515	2.2
147.08072	1.4
149.05989	8.0
150.06754	5.2
151.03906	100.0
151.04973	6.6
151.07536	51.0
152.04362	1.5
153.05453	10.9
157.06528	1.4
157.10187	1.3
157.86073	1.1
159.08084	3.3
161.05971	13.1
163.03960	5.0
165.05476	7.6
167.07062	3.8
175.07549	3.8
177.05513	4.6
177.09071	1.8
178.06236	24.6
179.07030	29.9
179.08539	2.0
180.07774	4.5
187.07544	7.5
195.06519	8.4
196.07320	13.7
205.08620	4.3
211.05983	1.1
215.06943	1.3
223.09641	1.6
251.10809	1.6
279.10214	2.4
311.12680	1.4
325.10684	2.1
327.12122	1.9
336.96985	1.1
357.13440	1.7
358.12711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Annulin C
Peak:m/z	Relative Intensity
52.97144	1.3
55.01874	14.7
56.96555	1.5
67.05499	1.2
69.03423	2.3
70.06784	2.3
70.07182	2.6
70.10724	1.2
73.02917	99.9
79.05492	1.9
81.07030	3.2
85.02909	1.7
86.09681	3.4
91.03963	1.9
91.05472	5.4
94.04197	1.6
95.04967	1.6
95.08589	1.8
96.26491	1.4
103.05440	2.7
105.07021	6.1
106.31844	1.1
107.04950	2.4
107.88628	1.3
109.06496	3.3
111.04411	1.5
115.05463	1.7
118.04182	1.1
121.06537	7.4
122.03642	4.2
126.03745	1.3
131.04933	2.6
133.02859	1.5
133.06480	4.6
134.03659	2.0
137.05978	82.4
145.10098	1.7
146.03639	7.8
147.04391	4.5
149.05978	17.6
151.03923	2.3
151.07588	6.5
152.06233	8.4
153.01762	2.0
153.07014	6.5
159.04411	3.7
161.05980	74.9
162.06647	1.8
163.03851	1.4
165.05600	2.8
165.06929	13.2
167.08536	2.3
169.06479	3.7
173.05855	1.1
175.04021	1.5
175.07535	2.3
177.05482	2.9
178.07729	2.8
179.07080	3.2
179.08514	2.5
180.05666	8.0
181.04971	2.2
181.06459	16.3
181.10213	1.4
182.07275	8.1
183.08105	2.2
184.05237	1.1
185.05914	1.7
187.07643	1.8
189.05472	4.7
189.07001	1.9
191.04897	3.7
191.07019	14.5
193.06517	9.0
194.07326	8.0
195.08002	8.0
196.05182	5.2
196.08867	1.6
197.05988	11.2
197.09717	2.9
198.06763	1.4
203.07014	1.9
205.06596	2.5
206.07225	2.7
207.04433	1.5
207.08105	2.8
208.05176	13.0
209.04269	1.2
209.05966	8.0
209.08109	6.9
210.06744	18.7
211.07574	13.3
212.08318	4.8
213.05533	2.2
213.09077	10.6
215.07056	2.4
218.07246	1.2
219.04538	2.4
219.08064	2.5
220.05116	1.6
221.06020	14.7
221.07954	2.6
221.09900	1.3
222.06734	14.8
223.07518	10.0
224.08371	5.9
225.05574	11.8
225.09073	23.6
226.06261	1.3
227.06955	4.5
228.07884	1.7
233.06030	1.3
233.08167	7.3
234.06725	2.2
235.07494	4.3
236.04686	10.5
236.08383	1.5
237.05338	4.5
237.09193	2.9
238.06235	10.5
239.07037	6.0
239.09012	1.5
240.07834	17.0
241.08571	14.2
246.06689	1.3
250.06250	1.4
251.07060	12.3
251.09782	1.2
251.10580	1.3
252.07761	3.9
253.05142	4.5
253.08594	100.0
254.09135	4.4
255.06551	4.6
255.10158	1.8
255.99612	1.2
256.07254	2.7
258.08936	10.3
262.06064	1.8
264.07993	1.4
265.08542	3.4
267.10208	2.9
268.07309	11.2
269.07980	8.1
270.08871	43.0
273.11218	51.5
277.08722	3.4
279.06494	10.5
279.09991	3.2
283.09634	9.5
284.10501	5.1
285.11221	61.0
286.04831	2.1
286.08386	1.7
286.11432	1.6
287.05615	1.8
295.09573	9.4
297.03931	4.1
297.11166	5.4
299.09158	20.6
300.06235	3.3
309.11145	2.1
311.09155	45.8
311.12537	2.1
315.08636	23.0
321.11267	2.2
325.10699	31.7
327.12274	6.8
329.10147	2.6
337.21689	1.4
339.12381	11.9
345.13345	22.6
357.13342	71.4
358.13950	1.6
375.07138	2.2
375.14346	36.7
375.24619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59506	0.3
53.03923	0.5
55.01871	2.8
55.05502	1.0
56.96551	0.5
57.03426	0.7
61.02919	1.8
63.45778	0.3
67.05501	1.9
69.03420	2.0
69.07054	0.6
70.06583	0.5
71.01344	0.4
71.04983	1.1
71.59516	0.5
71.59887	0.4
72.08150	0.9
73.02894	0.7
79.05495	2.3
79.60785	0.3
81.03419	1.7
81.07056	5.4
81.40305	0.3
83.04959	0.7
83.08604	0.4
84.04459	0.5
84.08140	0.7
85.02908	1.9
86.09734	1.6
87.04477	0.4
91.03976	0.4
91.05479	8.5
93.03396	0.4
93.07032	2.1
95.01326	2.4
95.04951	1.5
95.08587	0.5
97.02871	1.5
97.06525	4.6
97.10157	0.3
98.97586	0.4
99.00769	0.4
99.04442	0.4
101.02359	0.6
103.05438	1.2
105.07027	12.3
107.04934	2.1
107.08618	0.5
109.02869	1.4
109.06557	0.4
109.10159	0.6
111.04426	1.7
113.02371	0.6
115.05434	2.4
116.06215	0.9
117.07014	17.2
119.04884	0.5
119.08578	1.4
120.08112	0.8
121.06544	0.7
122.48448	0.3
122.63616	0.3
123.04395	0.5
125.02178	0.3
125.05978	0.4
127.03924	1.1
128.06216	5.3
129.07001	8.1
129.10223	0.4
130.07787	5.3
131.04892	0.6
131.08568	3.8
133.06500	0.6
133.10127	0.4
137.05945	2.2
138.09100	0.5
139.03885	2.4
141.06963	3.5
142.07782	6.5
142.08846	0.3
143.04871	0.5
143.08556	21.7
144.09390	0.8
145.06441	1.4
145.10114	100.0
146.10469	1.4
147.04396	0.7
149.05972	0.6
151.03888	1.4
151.07593	0.5
153.05449	1.1
153.06943	1.1
154.07735	0.9
155.04860	0.3
155.08536	5.1
156.09343	2.0
157.05115	0.6
157.06476	2.3
157.10120	17.5
159.08066	0.6
159.11627	1.7
161.05956	1.2
165.06976	1.7
166.07784	1.8
167.07068	0.9
167.08568	2.2
168.09320	0.8
169.05008	0.5
169.06483	0.6
169.10088	2.8
171.08125	1.6
171.11676	16.7
172.12424	2.4
173.06023	0.4
173.09660	0.6
173.13217	0.8
175.07506	0.7
175.11128	0.4
177.05403	0.5
178.07808	0.8
179.07201	0.4
179.08510	1.7
180.09378	1.0
181.05025	0.4
181.06461	0.8
181.10110	6.0
182.10896	0.6
183.08032	0.9
183.11679	3.7
184.08772	0.4
185.05998	0.6
185.09601	3.1
185.13257	0.8
187.07458	0.4
187.11111	0.3
189.09189	0.3
191.08575	0.6
192.09341	0.9
193.08574	0.7
193.10147	1.6
195.08109	0.6
195.11694	2.0
195.13766	1.7
197.09637	2.1
197.13310	0.5
199.11162	13.4
200.11865	0.7
201.03928	1.5
201.09126	1.0
201.12718	0.7
203.06924	0.4
203.08752	0.8
203.10680	2.6
205.10072	1.1
206.10944	0.4
207.11755	1.0
209.09630	1.9
209.13225	0.5
211.07610	0.9
211.11124	2.3
213.12740	0.8
213.14830	0.8
215.05386	0.5
215.10594	0.4
217.12230	4.0
221.09750	0.6
221.13210	2.1
223.11241	2.6
225.09071	0.4
225.12758	1.0
227.10654	7.1
229.12222	2.4
234.10425	0.5
235.11147	0.4
237.09065	0.5
237.12704	1.7
239.10657	0.7
239.14354	0.8
241.12245	1.5
244.39023	0.4
247.11252	0.9
249.12706	1.2
251.10677	2.1
251.14441	0.4
253.12213	0.5
255.10205	0.8
255.13667	0.3
257.11691	0.8
258.74863	0.3
263.10809	0.5
265.12280	1.1
267.13727	2.6
269.11716	2.4
277.12357	0.7
281.11752	1.3
283.13263	1.0
285.14890	2.1
287.12698	0.5
293.11569	0.8
295.08118	0.5
295.13312	2.8
301.11374	0.4
301.14319	2.2
311.09311	0.5
311.12708	2.2
313.14255	4.5
321.16748	0.4
325.57819	0.4
329.10049	0.6
329.13824	7.9
339.12186	0.4
339.18073	0.5
347.14896	3.9
357.13333	7.5
357.18942	1.0
375.14401	29.5
376.14569	1.0
395.56897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	7'-hydroxymatairesinol
Peak:m/z	Relative Intensity
52.44157	0.9
53.03946	1.2
55.01865	5.0
55.05492	1.1
56.96555	1.9
57.03437	1.3
57.46467	1.0
65.03954	1.2
67.05503	1.4
69.03431	3.8
70.06582	3.5
70.22045	4.5
71.04983	1.2
72.08148	6.2
73.02915	25.8
73.03300	2.0
79.05475	1.9
81.03416	4.1
81.07078	1.9
84.08147	4.2
85.02907	7.1
86.09699	22.9
87.10046	5.9
91.03955	1.5
91.05483	3.9
94.04215	1.9
97.02883	2.6
98.20929	1.4
105.07089	1.1
107.04970	2.6
108.02165	1.1
109.02876	1.1
109.06513	2.4
110.07192	2.3
111.04421	1.6
115.05450	1.9
115.21770	1.1
115.38651	1.1
116.07105	1.0
116.98608	1.3
119.04966	2.7
121.06501	7.7
122.03673	4.4
125.06010	2.2
127.03938	2.7
129.07031	3.1
129.10286	3.9
133.06496	2.1
134.03651	2.7
134.99722	1.6
135.04416	1.6
137.05968	100.0
141.05417	1.0
143.04936	1.4
145.05066	1.1
145.06407	1.1
146.03661	2.2
147.04388	5.5
148.06036	1.6
149.05977	22.9
151.03897	21.8
151.04945	1.6
151.07587	4.4
152.06239	1.1
153.05476	2.1
153.07034	3.1
157.06488	2.5
159.11313	1.1
161.05969	25.2
161.07231	1.6
162.06750	1.2
162.33011	1.1
165.05629	2.0
165.07062	3.3
167.07162	2.6
167.08487	1.5
175.03955	2.5
175.07571	1.8
177.00771	1.4
177.05554	1.7
177.09032	1.4
179.07074	7.8
181.05000	5.0
181.06506	4.3
183.08128	1.4
189.05568	1.1
189.09073	2.3
191.07059	2.7
193.04912	1.2
193.06590	1.2
195.08208	2.3
196.05342	1.8
197.05989	1.9
198.06660	1.5
199.18134	1.7
200.18480	4.5
201.12419	4.3
203.06979	5.4
205.08557	1.2
207.08014	1.1
208.05304	3.2
209.06053	2.5
210.06836	3.1
211.05870	1.5
211.07527	7.1
211.54294	1.3
212.04619	1.0
213.05612	2.1
213.09219	4.0
213.11215	2.8
219.04521	1.3
220.54726	3.8
221.06137	2.5
221.08194	6.8
222.06792	2.1
223.07626	2.0
225.05569	2.8
225.09215	5.0
228.17856	1.4
233.08217	1.3
235.07550	1.4
236.04831	1.5
237.02982	1.6
239.07104	2.0
240.07999	3.5
241.08746	4.6
250.03889	2.4
251.06989	2.4
253.08583	17.3
256.07394	1.6
258.09006	2.4
259.09863	2.1
268.07480	3.1
270.08990	4.6
273.11209	20.6
279.10281	1.1
283.09579	1.3
285.11203	17.8
286.08456	1.7
289.12448	2.2
291.59171	1.1
297.11530	1.1
299.09164	10.7
311.09171	7.1
311.12393	1.5
315.08524	6.2
327.12503	3.1
329.10178	11.0
331.13635	11.5
339.12396	2.7
345.13437	2.8
357.13321	7.5
375.14020	41.4
376.14072	1.2
380.99982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.1
68.52702	1.1
69.03443	1.6
69.07090	1.2
69.99418	1.4
69.99716	6.7
70.06578	2.4
72.08147	5.1
84.04502	4.1
84.08131	4.5
85.02901	2.8
86.09708	8.0
91.05484	2.6
102.05526	2.6
102.45117	1.1
107.04934	1.8
116.98649	1.2
121.06446	1.3
127.03854	1.4
135.04475	1.4
137.05984	9.0
141.07002	1.2
145.32399	1.2
147.04436	1.8
152.06212	4.4
153.06927	1.3
157.06598	1.3
163.03902	5.0
165.05550	3.1
165.06937	2.8
168.05731	3.4
169.06398	3.3
175.03952	5.8
177.05486	4.0
178.05798	1.5
180.05701	5.1
180.07971	2.3
181.06410	2.3
183.08057	2.1
191.05052	2.7
195.08026	2.7
196.05174	7.9
197.05959	8.9
199.07544	1.2
205.04886	1.5
207.04224	1.4
208.05176	7.6
209.05878	3.2
211.07552	16.6
212.08189	3.2
213.05386	2.7
217.08246	2.1
219.04424	2.4
220.85524	1.3
223.07512	5.0
224.04724	2.5
225.05498	7.7
227.06787	2.0
231.05310	2.0
236.04688	5.8
239.06999	5.7
240.07852	13.4
241.08374	2.0
251.07076	4.8
253.04903	3.9
255.10318	1.6
268.07315	5.7
269.07825	3.0
279.06522	3.9
283.09592	3.1
285.07602	4.2
299.09113	36.9
300.06238	3.1
300.09409	1.7
301.10931	2.0
311.09137	20.7
315.08621	15.9
329.10202	100.0
330.10596	5.1
347.11069	1.5
375.12265	3.9
375.16534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.79428	0.3
55.01852	1.1
55.05501	1.0
56.05039	0.6
56.96555	1.1
57.03441	0.7
60.04505	0.5
61.02924	0.6
62.97490	0.3
63.35685	0.3
69.03429	3.1
69.07064	0.9
70.02934	0.4
70.06586	1.9
70.11021	1.8
71.04990	0.6
72.08157	10.3
73.02913	1.8
73.20145	0.3
75.05592	0.8
81.03427	2.9
81.07060	0.5
84.04501	0.8
84.08147	3.2
85.02913	4.9
86.09702	11.7
87.00810	2.0
87.10014	0.7
89.03912	1.0
91.05449	0.9
97.02888	1.5
98.21375	0.6
98.97613	0.6
99.04441	1.1
102.05523	0.6
104.26953	0.4
105.01833	0.9
105.07042	0.5
107.04972	0.4
109.02848	3.1
109.10171	0.5
110.07159	0.4
116.98605	0.7
117.03454	0.5
119.04958	0.4
119.08541	0.4
120.08099	0.6
121.06479	0.6
125.05989	0.5
127.03912	100.0
128.04259	0.8
129.01793	0.3
129.10252	2.2
130.04819	0.3
135.04424	1.0
136.07526	0.4
137.05984	6.0
137.09604	0.6
141.10239	0.4
143.11797	3.1
145.02821	0.8
145.04970	1.0
146.86888	0.4
146.99754	0.5
147.08012	0.7
149.06001	1.3
151.03859	0.6
157.09837	0.4
159.02921	1.3
161.06000	1.0
163.03889	4.1
164.04359	0.5
171.11302	1.8
173.09627	0.7
173.12875	0.5
177.05510	0.7
178.05824	1.1
181.06421	0.5
196.06894	0.4
199.18073	0.7
200.13972	1.5
205.08681	0.5
205.11826	1.1
211.72493	0.4
213.09229	0.5
225.09227	0.4
237.02861	0.8
241.08585	0.6
252.73016	0.4
253.08531	0.9
273.03030	0.4
273.11301	1.3
285.11212	0.9
295.11710	5.1
299.09039	0.5
329.10254	0.5
357.13593	0.5
375.13724	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	374.2287
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
55.01881	0.8
55.05508	0.5
56.05020	0.7
56.96559	1.0
57.03429	0.9
61.02930	0.7
67.05502	0.9
69.03413	1.6
69.07050	0.8
70.06586	1.2
71.23319	0.9
72.08151	0.8
73.02904	1.5
76.71992	0.4
79.05470	0.9
80.05014	0.5
80.57900	0.5
81.03421	1.3
81.07053	0.6
84.04498	3.4
84.08155	1.5
85.02904	3.8
86.09704	100.0
87.10043	0.8
89.06033	0.6
91.05480	1.0
93.07047	0.6
95.05014	0.6
97.02887	1.0
98.97599	1.3
101.43208	0.5
102.05524	1.5
103.05484	0.5
105.07030	0.9
107.04963	2.0
107.08617	0.5
109.10168	0.5
116.98617	1.1
120.08160	0.6
121.06553	0.5
123.04446	0.6
127.03932	1.0
129.10283	0.9
130.05005	1.9
133.02896	0.6
134.06006	0.9
137.05969	5.3
138.09091	0.5
146.99655	0.9
148.06052	9.2
148.07576	2.9
149.06003	1.6
151.03915	2.2
151.05013	0.5
153.05487	0.7
161.05986	1.6
167.07030	1.4
173.90193	0.5
177.00742	1.0
177.05478	0.5
179.07045	0.5
181.04976	1.5
193.05067	1.6
194.08145	6.1
199.18053	33.6
200.18512	0.5
212.09126	0.7
212.16580	1.1
220.23512	0.5
227.17538	13.9
237.02780	0.7
251.99480	0.7
253.08582	0.5
261.14438	8.1
273.11368	0.9
285.11069	0.9
286.91605	0.6
329.10391	0.6
354.55164	0.5
374.14383	0.8
375.13809	2.2
399.08661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58895	0.5
56.04741	0.5
56.05027	1.2
56.96572	0.7
57.03430	0.8
57.50763	0.5
67.05500	0.7
69.03436	1.6
69.07068	4.6
69.94140	1.3
69.94543	1.9
70.06583	2.8
72.08144	2.3
73.02916	0.9
76.20953	0.5
81.03419	1.4
81.07069	0.6
84.04514	3.2
84.08139	2.6
85.02898	6.2
86.09701	100.0
89.03899	1.6
91.05457	0.9
93.21095	0.6
97.02898	1.8
98.97566	0.9
100.38364	0.5
101.02388	0.6
102.05546	1.6
107.04961	0.9
110.07115	0.6
116.98612	1.1
117.03385	2.7
119.04932	0.6
121.06483	1.0
125.05972	1.5
126.06274	1.0
127.03928	2.2
129.10254	1.8
130.04964	2.6
134.99657	1.6
135.04419	0.5
136.06158	0.7
137.05981	2.4
141.10208	0.5
145.02835	9.7
145.04961	1.0
148.06024	6.4
149.05977	3.3
149.07018	0.5
158.99736	0.8
161.05951	0.8
163.03923	1.5
166.74754	0.5
167.38165	0.6
177.00703	0.8
177.05464	25.2
178.05855	0.7
181.04947	0.6
195.06511	13.6
195.08206	0.8
199.18051	29.6
227.17525	13.1
227.19734	0.7
261.14453	9.4
273.11560	0.6
331.13672	1.3
375.12976	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.05511	9.4
56.96548	10.8
58.99882	5.5
64.64083	4.5
67.05494	7.1
69.07048	8.8
71.60626	7.7
72.20941	5.4
77.00905	28.3
79.05476	11.5
81.07060	13.6
91.05471	14.6
91.90455	5.8
93.07028	7.0
95.01958	21.9
100.02473	6.8
105.07034	7.9
116.98601	8.4
119.08591	10.9
134.99612	5.4
159.05096	9.0
173.06592	13.2
185.06500	12.6
187.08183	18.7
199.08293	9.3
201.09753	24.7
205.09074	9.1
213.09715	8.0
215.11263	12.1
219.10828	18.7
223.11810	7.0
227.11339	10.0
233.10181	7.5
239.11340	15.1
241.12926	19.1
243.14311	6.0
249.09605	9.4
251.11301	39.5
253.12912	7.2
257.12286	45.5
263.11209	8.5
265.12857	6.9
267.10712	31.7
269.12344	87.5
271.13843	6.4
274.12921	8.2
281.12430	6.5
285.11957	6.1
291.17920	5.9
292.13904	7.3
293.16077	7.9
309.15540	7.3
309.19034	5.6
315.18045	32.7
333.19119	87.6
351.20206	100.0
356.20541	7.9
374.21823	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	374.2288
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
49.99955	0.4
55.01857	0.6
56.05029	1.9
56.96562	1.6
57.03425	0.7
57.05789	0.4
60.04518	0.5
61.02922	1.0
67.05505	0.6
69.03424	2.0
69.07067	7.6
70.06585	2.3
71.05823	0.4
71.59734	0.5
72.08152	0.9
73.02908	1.5
73.27032	0.4
79.05495	0.9
81.03419	1.0
81.07066	0.8
83.06100	0.6
83.88636	0.4
84.04507	28.3
84.08141	2.0
85.02907	4.6
86.09706	100.0
87.04462	0.6
87.09559	0.6
87.10033	2.8
88.04044	0.6
91.05479	2.3
93.07030	0.9
95.04989	0.5
96.04472	0.7
97.02888	1.3
98.97551	2.4
102.05545	11.9
105.07039	0.9
108.90699	0.5
109.02866	0.4
110.07156	0.5
112.05094	3.2
113.01208	0.4
113.07147	0.7
113.59758	0.4
115.05486	0.4
116.98617	2.2
117.07023	0.8
119.04896	0.6
127.03953	1.7
129.06599	12.8
129.10239	1.0
130.04961	0.5
130.06448	0.6
131.08563	0.7
131.11848	0.5
132.10210	33.4
134.99660	1.4
137.05971	3.4
143.08508	0.5
145.04956	1.3
146.53787	0.5
146.99652	1.0
147.04436	0.8
147.11703	0.6
151.03963	0.8
151.54881	0.4
152.10727	1.2
153.00806	0.5
158.99666	0.9
161.05977	1.3
162.06821	0.7
169.13383	0.7
170.11781	5.4
171.11726	0.7
173.01408	0.5
175.07631	0.7
177.00696	1.7
177.05518	0.5
189.00729	0.5
197.12859	20.1
198.13197	0.6
199.18073	1.1
211.07507	0.5
215.13918	34.2
216.14320	0.9
225.12346	6.6
226.12718	0.5
227.17482	0.5
237.02879	1.5
242.15067	0.7
243.13367	7.1
243.15425	0.9
245.18713	1.6
253.08466	0.5
257.03952	0.5
273.11429	0.5
282.30194	0.5
285.11377	0.9
299.09201	0.6
306.09521	2.8
311.09064	0.7
315.08563	0.5
340.55478	0.4
348.10529	1.0
356.21930	0.9
357.13324	1.1
374.08975	0.6
374.17975	0.9
383.11710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.00468	1.0
55.01876	2.8
57.03424	2.4
61.02925	2.3
62.40208	1.0
65.03938	2.0
69.03432	14.0
69.49680	7.7
73.02903	3.5
81.03426	10.6
84.04513	3.9
84.09090	0.9
85.02910	44.5
86.09708	11.4
87.00828	17.7
91.05485	100.0
92.05846	1.6
97.02899	15.1
99.04467	6.6
102.05556	1.4
103.03964	0.9
105.01867	31.3
105.07053	1.6
108.04504	2.3
109.02881	13.7
115.03942	1.0
115.15677	0.9
117.01888	1.2
127.03922	35.0
129.01851	2.3
132.10216	4.8
133.06519	1.0
145.04962	17.5
147.02946	1.9
159.02869	6.8
163.42236	0.9
172.35974	1.1
175.07568	1.8
189.03973	2.0
197.12918	3.0
199.07591	2.5
213.04010	1.5
215.13971	4.7
217.08505	1.1
225.12253	1.9
230.06586	1.3
231.05017	8.8
243.13457	1.2
248.07748	2.3
249.06114	1.5
264.24036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	26.9
66.95016	2.1
67.05497	3.1
67.44481	1.7
71.95245	3.9
74.97559	2.1
78.14984	1.9
79.05487	2.6
81.03363	2.4
81.07055	3.9
84.95997	2.2
91.05472	3.3
93.07047	3.7
95.08641	2.1
105.07032	2.3
107.08562	2.0
107.13010	1.9
118.11014	2.3
128.98602	9.8
141.01973	1.9
146.99658	16.8
161.01270	4.3
165.00726	4.8
172.95262	3.0
179.81354	2.1
189.04330	2.9
190.96342	4.5
194.01263	2.0
209.63625	2.1
219.04076	2.4
229.22922	2.3
263.09555	6.3
264.18405	2.9
265.11102	2.6
281.10556	2.1
294.60342	2.4
315.16266	32.5
329.15063	2.4
333.17325	100.0
334.17599	3.0
351.18445	41.7
352.18579	3.2
356.18857	16.3
374.13547	2.7
374.19965	7.1
374.25333	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.37563	1.0
56.96556	2.4
57.03427	2.3
57.81696	1.0
60.35249	1.0
65.03945	2.8
65.14857	1.0
65.86291	1.0
67.05495	1.6
69.03425	21.6
69.07058	3.0
69.94389	4.3
69.94791	2.2
70.06599	4.7
71.04975	4.3
71.97999	1.1
72.08122	1.0
81.03411	12.3
81.07096	1.2
83.01292	1.5
84.04500	5.7
84.08126	3.2
85.02905	21.0
86.09704	19.1
87.00821	11.4
87.04419	1.8
87.10033	2.4
89.87614	0.9
91.05479	100.0
92.05785	2.1
95.04971	1.2
97.02275	1.9
97.02888	31.8
97.06553	1.2
98.20843	1.6
98.97581	4.6
99.04462	9.7
102.05509	1.9
105.01880	9.6
105.07003	2.2
107.04955	1.6
107.08570	2.2
108.05296	1.1
109.02869	3.9
112.05055	2.2
115.03970	1.5
116.98624	5.3
126.39462	1.1
127.03919	35.3
128.98563	1.4
129.06631	1.7
131.04948	1.3
132.10199	4.5
134.99648	2.1
137.05986	1.7
145.03897	1.7
145.04955	23.3
146.99631	1.6
153.05408	1.1
157.10101	1.7
158.99632	1.8
167.06999	2.4
167.91335	1.1
171.02827	1.8
177.00688	3.5
197.12921	2.7
212.10501	1.1
212.12912	1.1
215.13907	2.7
231.04994	20.6
237.02771	2.4
238.03461	1.0
243.13426	1.4
249.06105	5.3
250.65086	1.1
288.08447	1.4
305.08899	2.1
306.09430	7.1
374.18326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01863	0.9
55.05513	0.5
55.60764	0.4
56.05053	0.4
56.96555	1.0
57.03421	1.1
60.04519	0.9
61.02923	2.4
69.03423	3.5
70.06589	2.9
71.04979	0.8
71.41911	1.1
72.08149	3.6
73.02907	1.0
80.21230	0.5
81.03419	2.1
82.03765	0.4
84.04494	2.7
84.08141	4.4
85.02902	17.1
85.08475	0.7
86.03229	0.7
86.09707	6.1
87.00805	0.5
87.04488	0.6
88.04000	0.8
89.03890	4.2
91.03970	1.3
91.05465	2.0
93.07022	0.7
95.04937	0.7
97.02354	0.6
97.02898	5.3
98.97588	0.6
99.04415	0.9
102.05524	0.5
105.07045	0.7
107.04958	1.1
109.02876	1.7
110.07158	1.1
116.07058	0.6
116.98613	0.8
117.03376	13.1
119.04944	1.7
120.08111	0.7
121.06476	1.1
122.06830	1.0
125.05998	4.2
126.06342	2.1
127.03924	4.3
129.10248	2.0
130.10634	0.5
131.04903	0.6
132.44089	0.5
134.03609	1.3
135.04404	2.7
136.07552	1.0
137.05959	1.5
143.00203	0.8
144.06578	0.5
145.02841	38.7
145.04752	4.4
146.03131	0.5
146.99655	0.6
147.04399	5.8
149.05980	8.1
150.06233	0.6
153.05498	1.1
162.03101	0.9
162.07666	0.9
163.03926	3.1
165.05458	0.6
167.06973	0.8
168.07399	1.3
177.05463	100.0
178.05809	1.8
180.08708	1.7
181.04984	0.6
185.16582	0.5
186.05460	0.9
187.10837	0.6
195.06519	49.1
216.07396	0.6
227.08577	0.8
310.15628	0.7
374.18231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
52.29189	6.0
55.01873	6.8
55.05502	8.6
56.05024	14.7
56.96560	10.6
57.82653	6.6
63.95826	5.8
67.05492	29.9
69.03424	16.1
69.07049	19.9
70.06590	11.5
70.57704	21.4
79.05483	20.8
81.03410	12.5
81.07053	27.8
82.07870	6.2
83.04978	10.3
85.02897	21.2
86.00662	6.6
86.09719	15.9
91.05486	11.9
93.07030	24.5
94.06531	9.9
94.24796	6.4
95.04945	9.3
95.08591	31.5
97.01099	14.2
97.02911	8.5
97.06522	26.0
105.07018	24.1
107.04988	12.5
107.08583	23.8
108.04451	7.4
109.10152	43.3
116.01656	14.3
119.08553	26.6
121.06501	7.2
121.10151	15.7
123.11705	11.7
124.22426	6.2
133.10107	18.2
135.08076	7.9
135.11674	34.8
137.06000	11.5
137.09674	7.1
143.08649	8.2
147.11679	7.5
151.03841	10.5
157.10179	13.0
157.64482	6.4
159.11736	9.5
163.07616	8.2
167.07083	13.1
175.14815	19.4
176.58731	7.3
191.07010	10.9
193.15887	21.8
194.15340	6.7
211.08696	17.5
211.16960	16.7
212.16481	16.3
225.10269	9.9
239.11748	11.6
252.14093	13.3
267.11176	17.8
270.17191	15.4
313.11856	51.0
327.12262	8.7
337.09830	10.4
337.14258	6.5
355.15686	7.5
373.13776	100.0
373.17987	79.5
374.14059	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.6
56.57561	2.6
61.62688	2.2
66.92532	2.3
67.05506	15.1
69.03422	5.8
69.07063	10.6
70.72026	5.1
70.72397	4.4
71.04957	3.1
76.05705	2.2
79.05482	3.2
81.07060	18.3
83.04987	6.7
83.08599	5.1
85.02890	6.6
85.06529	4.7
93.07042	10.9
95.08607	33.0
97.02864	3.3
97.09505	2.3
101.49163	2.4
105.07028	7.2
107.08609	19.8
109.02821	2.9
109.06528	8.0
109.10159	100.0
109.10905	6.1
111.08089	3.5
115.07301	2.8
119.08577	38.5
121.10165	16.3
123.08055	11.8
123.11711	10.4
133.10136	24.2
135.11696	99.2
136.12073	3.0
137.09631	13.6
138.05443	2.4
149.13232	7.8
151.11214	6.9
151.14845	13.2
153.12704	2.9
165.16333	3.0
167.07086	3.7
173.94016	2.4
175.14822	44.0
175.16257	3.6
193.15883	64.7
201.05571	2.7
211.16916	50.1
211.18779	4.1
219.06351	3.7
276.24469	2.2
279.37912	2.5
341.10373	3.2
355.11676	4.2
362.07153	2.3
383.19928	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.4
56.96562	4.0
57.03427	5.9
64.75887	3.4
67.05505	25.0
68.81812	3.7
69.03420	15.7
69.07065	19.7
70.06559	3.3
71.04989	8.5
71.59243	4.3
71.59587	5.3
73.34663	3.2
79.05495	7.9
81.03410	4.3
81.07055	26.1
82.78108	3.3
83.04984	9.2
83.08620	11.0
84.08144	5.9
85.02901	31.4
85.06541	23.5
86.09694	6.6
86.68501	3.2
86.93450	3.4
89.22530	4.0
91.05471	14.5
93.07023	13.7
95.04956	10.3
95.08622	41.3
97.02899	8.6
97.06528	8.6
99.08108	4.1
103.05477	4.4
105.07020	15.0
107.04951	8.3
107.08578	26.3
108.08234	3.2
109.06512	11.4
109.09451	6.4
109.10155	100.0
111.01325	3.8
111.08085	6.9
117.06945	3.6
119.08577	43.3
121.10126	14.2
123.08024	12.0
123.11707	8.9
125.07096	3.4
127.03967	5.9
129.10403	3.5
131.08531	4.1
133.10130	28.9
135.07996	6.6
135.11696	84.7
137.06003	7.5
137.09584	23.1
147.11731	4.0
148.07565	7.0
149.09654	4.1
149.13252	5.6
151.11159	11.2
151.14832	8.7
153.05284	3.6
157.45010	3.2
163.07530	7.3
164.07072	5.2
166.04985	4.2
167.07005	9.4
167.82219	3.1
175.14824	44.9
176.29147	4.0
180.06569	4.0
193.15891	60.0
193.17598	4.2
211.16895	42.8
267.11179	4.4
302.02637	3.4
313.11942	16.1
355.15234	6.0
362.28156	3.9
373.13708	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	373.2218
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03918	4.2
55.05505	10.5
67.05513	22.7
69.03419	8.5
69.07063	13.2
69.80294	18.6
69.80714	9.8
79.05475	6.6
80.42574	3.8
80.93635	4.5
81.07035	16.1
82.35812	4.2
83.04984	8.1
83.08600	6.5
85.02887	14.1
86.09708	12.7
93.07030	13.9
93.84490	3.9
95.05001	6.7
95.08595	26.2
97.02870	11.8
99.08090	25.6
105.07018	10.7
107.08581	22.8
109.06512	8.2
109.10146	100.0
119.08538	34.6
121.10198	12.8
123.08055	14.3
123.11654	9.7
125.24948	4.3
127.03876	8.3
133.10106	18.8
135.11678	98.5
137.05991	16.9
137.09586	18.7
151.11121	11.9
151.14813	9.4
155.10608	9.1
172.27945	4.8
175.14825	47.1
193.15843	59.1
211.16901	67.5
247.94670	4.7
266.98422	4.8
373.05533	9.3
373.13480	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	373.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14477	2.2
71.04975	0.5
72.36819	0.5
81.03460	0.6
91.05479	0.8
93.45177	0.6
95.08612	0.6
107.08560	0.6
115.02407	0.8
119.01914	3.1
131.01913	1.1
133.72353	0.5
137.05966	1.8
145.03444	1.3
151.03874	0.7
153.01814	2.2
155.01903	0.9
161.02977	1.0
163.04478	0.7
167.06996	1.2
173.03020	1.5
227.05142	0.9
271.04303	1.2
287.14670	2.9
305.14563	1.3
311.14819	0.7
318.04361	1.0
323.15540	1.3
329.15714	18.6
373.14703	100.0
374.03336	4.2
374.15097	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.5
55.05508	2.7
56.05009	1.3
56.96562	2.3
57.03444	1.7
60.04560	1.2
61.78564	1.2
64.36489	1.3
67.05497	2.8
69.03430	4.1
70.06587	3.5
71.04997	1.4
71.23235	2.9
72.08156	15.5
73.02913	1.7
79.05499	8.5
81.03415	5.2
83.06104	1.2
83.08620	1.2
84.04491	1.5
84.08149	10.0
85.02895	3.7
86.09692	5.5
91.05466	7.2
93.07060	2.1
95.04958	2.4
95.08626	2.0
97.02885	3.1
98.97595	3.2
100.33170	1.2
103.05479	13.7
105.07039	10.0
107.04955	90.8
109.02876	2.4
109.75740	1.4
115.05474	5.4
116.01789	1.2
116.98639	3.7
117.07037	3.1
119.04910	1.4
119.08593	1.5
120.05721	6.5
120.08113	1.8
123.04486	3.2
123.08064	1.5
124.05196	2.0
127.03944	2.4
128.98578	1.4
129.10216	7.7
131.04906	6.3
133.06490	4.3
134.99657	1.7
135.08064	32.9
135.09103	1.7
137.05957	3.4
146.99600	2.2
151.03911	3.0
154.06259	1.5
161.06003	6.6
161.13255	1.3
161.31931	1.4
163.07550	100.0
167.07042	51.1
168.07370	1.5
171.11295	2.9
177.00653	1.5
181.08691	1.5
193.08527	3.0
195.10175	53.8
203.13895	2.6
209.04494	2.9
211.04942	2.3
213.11211	3.1
223.56943	1.2
225.72098	1.3
237.02695	2.3
331.10284	1.5
371.37143	1.5
373.14023	3.3
373.18344	36.0
373.23187	1.9
374.18051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01867	4.9
55.05484	1.4
56.05025	2.1
56.96571	2.1
57.03429	3.1
58.56664	1.1
61.02916	3.1
61.08383	1.4
68.99795	2.2
69.03438	7.2
69.07060	1.8
70.06593	6.5
70.99463	3.7
72.08157	7.7
73.02913	4.0
79.05489	5.3
81.03421	8.5
81.07055	2.2
84.04493	3.1
84.08147	12.8
85.02905	34.7
86.09700	10.8
87.00846	8.3
91.05459	8.3
93.07059	4.1
95.04965	3.8
97.02908	10.5
97.06528	1.5
98.97600	2.4
99.04461	4.4
101.72749	1.2
103.03957	7.7
103.05470	1.7
105.01884	5.3
105.07028	2.3
107.04955	16.9
109.02885	7.5
110.03674	5.3
110.07191	2.1
117.07050	2.2
119.04960	1.6
119.08595	2.0
119.69092	1.5
121.06502	29.3
125.05993	100.0
126.06323	1.5
127.03918	16.2
129.01868	3.9
129.10249	9.9
131.05005	1.7
131.08571	2.1
135.08051	7.1
137.05980	12.6
144.05687	1.9
145.04945	8.4
145.06474	3.7
147.02911	4.0
147.04413	4.1
147.43896	1.4
149.05983	45.3
151.03920	2.9
159.02974	4.9
159.08028	2.8
161.05960	6.8
163.03839	1.9
163.07564	12.1
165.05583	1.9
167.07042	44.1
171.02910	1.5
173.06015	2.0
175.07582	3.8
177.05511	2.9
187.07544	6.4
189.03951	5.8
191.07011	16.9
195.10170	3.7
215.07014	9.4
233.06017	2.4
233.08084	14.8
237.02838	1.6
241.23494	1.8
253.08757	1.5
260.13361	2.2
331.10611	1.6
373.18375	4.2
373.27930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1104
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
56.96568	1.1
58.28840	1.1
66.44713	1.1
66.69579	1.1
70.06610	1.7
70.74434	3.5
85.02910	2.5
89.17466	1.3
90.20850	1.1
91.05795	4.6
97.02857	1.4
107.04953	5.7
116.07072	2.1
119.01891	2.8
125.05753	2.9
130.59747	1.2
135.08055	2.1
143.01895	4.6
161.02989	12.6
163.07536	3.5
167.07043	4.6
175.04498	2.7
195.10202	1.8
203.04027	4.0
227.05307	1.6
237.02896	1.5
252.72603	1.2
271.04282	4.3
287.03754	1.8
287.11102	8.6
311.10965	2.1
329.12054	42.6
357.57257	1.5
373.11008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01866	3.6
57.03456	2.9
61.02912	4.4
67.05518	1.4
68.72597	1.2
68.99790	3.0
69.03416	5.6
69.46906	2.7
69.47305	10.3
72.08158	3.7
73.02903	4.2
75.80776	1.3
79.05492	4.4
81.03405	7.8
84.08132	3.6
85.02898	35.7
86.09705	3.1
87.00830	10.9
91.05478	4.7
93.07042	3.1
95.04990	2.4
97.02896	9.6
98.20791	2.4
99.04475	2.3
103.03914	8.6
105.01868	5.5
107.04943	10.1
107.18670	1.2
109.02884	7.0
110.03669	3.3
117.01826	1.6
117.07039	2.1
121.06496	30.1
123.04436	1.7
125.05988	100.0
126.06276	1.2
127.03919	11.6
129.01837	5.2
129.10210	2.3
135.08047	4.1
137.05980	10.9
138.67189	1.6
144.05695	1.6
145.04977	6.2
145.06473	2.9
147.02884	5.6
147.04428	1.9
149.05981	53.3
151.03868	2.2
159.02878	5.9
159.08003	3.1
161.05928	6.2
163.07547	4.0
167.07037	44.0
171.02789	2.6
175.07582	1.9
187.07533	7.6
189.03954	8.1
189.05502	1.9
191.06990	14.5
215.07071	11.6
231.04898	1.8
233.08118	14.3
265.83386	1.5
373.18454	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	28.7
57.07074	1.9
66.31890	1.0
67.84592	1.1
69.36307	5.7
69.36737	4.9
70.06584	2.0
71.95261	3.6
72.96046	1.1
74.97610	2.1
75.57944	0.9
76.58552	1.2
79.05491	16.1
81.07060	2.0
87.04475	7.4
91.05466	2.0
95.04958	1.1
95.08677	1.4
96.08125	2.7
105.07066	2.8
107.08591	3.7
110.97558	1.6
116.98698	1.4
123.01208	1.3
128.98590	5.6
133.01582	1.3
133.10094	1.5
146.99644	7.5
165.00761	1.9
167.02261	1.4
171.03316	3.3
173.04913	5.2
175.02901	1.2
177.04225	1.2
181.05399	1.3
185.04874	2.5
189.04335	6.3
191.05908	3.9
197.04843	1.5
199.06448	3.5
201.07973	2.1
203.05933	4.0
217.07494	3.4
219.09052	2.2
225.04407	4.6
225.07933	1.5
227.05815	1.8
229.07642	1.4
241.07782	1.4
243.05336	1.2
243.09036	12.3
247.08524	2.5
253.07692	1.3
255.09033	3.7
261.10123	9.0
266.10709	1.7
268.09897	1.9
273.10089	3.0
281.10846	1.9
306.39401	1.4
308.54697	1.3
312.28854	1.3
322.67383	1.2
331.15775	62.5
347.15302	2.0
349.16852	100.0
350.17352	1.5
367.17911	15.3
372.18518	21.1
372.31427	1.9
373.19128	1.3
390.19327	2.1
392.84689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81864	0.3
56.96564	7.6
69.26701	2.3
69.27122	1.0
70.06609	0.4
71.95251	1.0
81.70969	0.3
98.97578	0.7
110.81274	0.3
110.97561	0.7
116.98635	0.9
128.98622	2.7
131.00165	0.4
134.99666	0.5
141.02180	0.4
146.99661	3.2
149.01166	0.9
149.02577	0.3
153.02184	0.4
155.03819	0.4
157.01715	0.5
159.69756	0.3
161.01241	0.9
165.00717	0.7
167.03766	0.6
169.01700	0.6
171.03371	1.6
171.04640	0.3
177.04340	0.3
179.02306	0.7
181.05295	0.5
185.04831	2.2
189.04399	1.2
199.06429	2.9
203.05893	4.4
205.01747	0.4
205.07372	0.9
209.04767	0.3
211.06378	0.6
217.07462	7.0
217.09416	0.6
221.06912	0.7
223.02782	1.4
223.06297	0.8
223.08540	1.0
225.04416	0.4
226.05113	1.2
229.07350	0.4
231.06950	0.6
231.09052	0.5
235.08580	0.4
237.04329	2.6
237.08035	0.4
239.09525	0.5
240.08900	0.3
241.03827	0.5
249.08031	0.5
251.05969	0.6
253.11137	1.0
255.05376	1.1
262.08701	0.7
265.07455	0.3
267.09000	1.8
271.12027	0.5
277.11169	0.5
279.09036	0.5
280.09802	2.8
281.10379	0.5
281.33270	0.3
285.10297	1.4
285.12915	0.3
293.10474	0.3
297.10107	0.7
298.10800	1.6
303.11340	0.4
307.15778	1.3
325.16858	0.8
331.15738	16.8
332.16205	0.5
349.16852	100.0
350.17224	2.8
367.17865	5.5
368.18307	0.4
372.18451	11.4
373.18808	0.6
395.43997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01933	0.2
61.02894	0.2
64.05917	0.2
69.03410	0.3
69.07044	0.2
70.06583	0.3
70.84763	0.4
70.85098	0.2
78.03458	0.3
80.05019	2.6
81.03413	0.2
85.02905	0.6
86.09710	0.3
87.00789	0.2
96.04502	1.9
97.02896	0.2
105.06993	0.3
106.07393	0.2
109.02911	0.4
124.03954	100.0
125.04315	1.1
127.03931	0.5
134.06816	0.2
144.08910	0.3
146.10422	0.2
159.02948	0.2
160.32872	0.2
167.08235	0.3
172.12053	0.5
181.10191	0.2
182.10432	0.4
200.11539	0.4
218.12634	0.6
228.11128	0.4
246.12126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71609	1.3
55.01874	2.5
55.05510	6.0
57.03422	1.2
57.78831	1.1
58.65297	1.2
65.03943	1.3
67.05500	11.4
69.03419	3.9
69.07063	3.3
70.06596	7.7
71.04996	1.8
71.59415	2.4
72.08167	2.3
76.02217	3.0
79.05497	10.4
81.03408	1.4
81.07055	28.4
83.04967	2.3
83.08612	2.4
84.04488	2.3
84.08140	3.6
85.01118	1.4
85.02909	3.8
85.06543	4.6
86.09711	7.3
88.02229	2.1
88.03964	2.8
91.05476	23.2
93.07048	20.7
95.04951	4.5
95.08606	19.1
97.06519	4.4
98.97586	2.8
100.07702	1.3
105.07030	44.4
107.04954	9.6
107.08588	19.4
109.06518	5.9
109.10159	6.0
111.02666	1.3
111.08059	3.7
116.98602	1.7
117.07018	13.7
119.08588	44.3
121.06492	5.8
121.10138	7.3
122.02694	4.4
123.02692	2.6
123.08005	1.8
123.11768	2.0
127.03934	2.4
129.06990	3.8
130.03186	2.6
130.08646	2.6
131.08566	24.5
133.06450	2.3
133.10136	13.3
134.99661	2.6
135.08046	4.1
135.11667	2.5
137.06020	2.9
141.07013	2.9
143.08585	8.4
145.06438	2.4
145.10124	23.5
147.04445	2.0
147.08075	2.2
147.11679	5.7
149.09622	2.5
151.03880	3.4
151.07611	1.3
155.08556	8.1
156.09351	2.3
157.10133	15.0
159.08051	5.7
159.11702	26.3
161.09683	8.3
161.13257	100.0
163.14819	1.9
167.07062	1.4
169.03130	2.2
169.10172	6.6
171.11734	6.3
173.09616	4.1
173.13245	3.9
175.11168	1.6
176.03787	3.5
177.12688	2.1
182.10931	4.7
182.15329	2.0
185.06331	2.1
185.13307	10.9
187.11102	1.7
187.14815	25.6
189.16357	8.1
195.11662	1.4
197.13272	13.5
203.14389	1.8
205.15878	2.5
210.15057	3.2
211.09435	3.3
213.12663	2.8
215.14308	43.5
219.12061	8.8
231.13718	1.8
233.15390	35.9
247.11543	5.6
265.12579	43.1
269.42496	1.2
283.13605	15.0
284.46811	1.3
305.81815	1.6
308.16760	2.7
326.17651	1.9
336.16284	22.0
337.21140	1.7
340.12527	2.4
354.17337	34.3
355.15701	18.7
372.18503	24.8
373.14249	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72567	1.3
52.62548	1.4
53.03933	3.0
55.01859	5.1
55.05510	44.6
56.96550	2.0
57.03435	21.0
57.07060	5.9
59.04968	1.8
65.02806	1.2
65.03942	3.0
67.05503	95.6
68.05820	1.7
69.03415	2.2
69.07065	76.2
71.04976	6.4
71.08615	3.4
71.30423	2.1
71.30771	2.4
73.06548	1.5
79.05489	45.8
81.07053	100.0
83.04981	9.2
83.08615	22.1
85.06549	7.8
91.05471	15.1
93.07039	46.2
94.12007	1.7
95.04962	4.7
95.08601	70.8
97.06539	10.5
97.10167	13.2
99.08073	3.8
101.05979	1.8
105.07024	7.5
107.08605	25.6
109.06506	1.9
109.10153	45.1
111.08075	2.7
111.11726	4.4
117.07015	2.8
119.01898	2.4
119.08552	10.1
121.01640	2.0
121.10148	26.0
123.08072	2.6
123.11692	14.5
125.09607	7.3
126.04919	1.3
131.08589	7.6
133.10147	6.7
135.08101	2.7
135.11696	13.9
137.09563	2.9
137.13225	9.5
139.11189	9.9
143.01978	1.8
145.10123	6.1
147.11710	5.7
149.09665	2.4
149.13251	7.6
151.11157	2.8
151.14789	4.2
153.12781	2.6
155.10698	2.6
157.03870	1.7
159.11684	4.0
161.13287	4.2
163.11183	3.4
163.14867	6.6
165.12729	1.5
167.10623	2.5
167.14311	2.0
173.11725	12.4
173.13280	5.4
173.39403	1.6
175.14819	2.2
177.12788	2.7
177.16463	2.0
179.14287	1.8
181.12228	2.1
182.84247	1.6
187.13301	2.1
187.14833	3.9
189.11246	2.6
191.14296	2.3
195.13808	2.3
203.12805	2.1
209.15459	2.6
213.66066	1.5
217.01958	1.6
219.17575	1.6
223.16899	2.6
229.14369	4.7
233.22609	2.8
243.21051	6.8
251.23726	1.5
261.22165	14.7
276.20471	1.5
279.23212	28.7
280.23682	1.4
297.23697	1.4
335.25748	2.7
353.26828	11.9
371.12106	2.4
371.27924	52.2
372.27930	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
54.77591	1.6
55.01860	5.9
55.05509	42.9
56.96564	1.5
57.03436	18.9
57.07067	6.5
59.04998	1.8
65.03931	2.1
67.05503	100.0
68.05828	1.9
69.03420	1.6
69.07065	77.8
69.95506	3.0
69.95901	4.1
71.04996	7.3
71.08624	2.5
73.90961	1.5
79.05496	38.5
79.62263	1.3
81.07053	99.3
83.04967	5.6
83.08618	18.8
85.06535	7.8
91.05475	16.2
93.07041	50.9
95.04973	3.4
95.08602	71.9
97.06532	13.6
97.10169	14.1
99.08096	4.5
101.05978	2.6
105.07028	7.7
107.08588	21.5
109.06541	2.9
109.10150	49.2
110.10501	1.5
111.08074	5.6
111.11710	4.3
117.06986	2.2
119.08567	8.4
121.10133	24.0
123.08088	2.7
123.11705	13.6
125.09619	9.3
127.07567	1.4
131.08528	7.4
133.10117	8.4
135.08043	2.9
135.11671	13.5
137.09602	3.7
137.13245	8.2
139.11182	10.4
145.10120	5.1
147.11674	4.7
149.09666	4.0
149.13234	6.9
151.14792	3.9
153.12761	3.0
155.10649	3.7
159.11743	4.3
161.13315	4.5
163.11281	3.0
163.14827	4.1
165.12798	2.2
167.14305	1.9
169.12224	1.7
171.10188	1.4
173.11749	15.2
173.13252	5.3
175.14781	1.4
177.16354	3.2
187.13254	3.1
187.14864	3.6
189.11206	2.5
191.14278	2.0
193.75180	1.4
195.13849	3.0
203.12772	3.6
209.15364	4.8
229.14217	3.2
233.22585	2.8
240.64572	1.5
243.21066	8.0
251.23680	1.6
261.22144	14.5
279.23184	31.4
280.23489	2.2
335.25861	1.5
350.15125	1.3
353.26834	15.1
371.12021	1.9
371.27948	49.8
372.28351	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.9
53.03936	3.5
55.01859	6.2
55.05512	39.9
57.03438	9.5
57.07067	11.3
59.04994	1.4
65.03922	2.2
67.05504	78.2
69.03425	3.6
69.07068	42.9
70.21680	7.1
71.04976	5.2
71.08630	72.1
75.62856	1.7
79.05053	2.6
79.05492	37.1
81.07056	100.0
83.04976	10.0
83.08623	24.1
85.06522	6.9
85.10162	3.4
87.04460	2.3
91.04955	2.5
91.05471	22.4
92.05772	1.7
93.06128	1.7
93.07040	38.0
95.04945	2.5
95.08608	70.9
97.02869	1.8
97.06507	11.1
97.10178	22.8
97.22692	1.5
99.08093	56.1
101.05991	1.9
105.07022	16.4
107.08593	35.3
109.06540	3.5
109.09460	2.2
109.10160	40.0
111.08086	7.3
111.11716	3.7
113.09608	1.8
115.03918	1.9
117.07009	6.4
119.08572	13.1
121.10141	19.4
123.08033	2.9
123.11729	15.5
125.09622	12.6
127.11166	3.5
131.08565	11.2
133.10109	8.0
135.08066	2.5
135.11693	22.5
137.09676	2.0
137.13261	9.9
139.11171	2.8
141.12756	2.0
145.10123	8.6
147.06487	1.9
147.11676	38.6
149.09637	2.2
149.13272	8.2
151.11145	4.7
151.14844	3.2
153.12704	11.0
159.11693	5.6
161.13252	8.3
163.11217	9.8
163.14806	13.9
165.12738	16.1
167.14278	4.4
173.11726	10.8
173.13278	7.1
175.14676	1.8
179.14267	1.9
181.12224	3.1
181.15857	7.5
187.14832	4.9
189.11215	10.4
195.13867	2.3
209.15440	2.5
223.16826	2.5
227.12747	4.7
233.22523	4.6
243.21066	18.2
245.13802	2.7
251.23640	2.0
255.19618	3.7
261.22147	40.6
279.23184	84.8
280.23453	2.7
353.26871	60.2
354.27155	4.2
371.27759	6.6
372.24933	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05262	2.6
55.05516	41.7
56.96556	8.3
57.03432	24.1
57.07077	14.4
62.83125	2.4
64.10011	2.2
65.03935	2.9
67.05504	82.7
69.07066	28.1
70.06578	2.3
71.04989	4.8
71.08286	2.3
71.08636	35.3
71.59310	4.0
79.05493	37.0
79.43050	2.3
81.07061	100.0
83.04966	5.9
83.08621	27.8
84.09009	2.3
85.06544	4.8
85.10185	23.1
91.05463	31.6
93.07046	35.4
95.04995	3.2
95.08607	83.9
97.06528	11.1
97.10155	9.0
98.97576	4.1
99.08099	30.7
101.06037	2.9
105.07027	24.4
107.08590	27.1
109.06506	4.2
109.10163	26.3
111.08073	6.4
113.09654	38.1
117.06998	5.1
119.08575	14.2
121.10146	24.2
123.11753	14.5
131.08551	7.7
133.10156	18.4
134.99617	2.4
135.11740	14.2
137.13261	10.6
145.10097	9.1
147.06566	3.4
147.11674	17.2
149.07602	2.4
149.09637	6.7
149.13246	14.4
151.11249	2.7
151.14806	7.3
153.12817	3.7
159.11676	8.0
161.13251	12.7
163.11198	5.6
163.14819	12.6
165.12729	6.4
167.14297	2.9
173.11865	2.4
173.13257	7.4
179.14322	4.6
181.15771	3.0
195.13867	4.4
209.15228	3.2
233.22646	3.7
243.21112	8.9
253.18121	4.8
261.22189	14.1
279.23203	46.1
282.17386	4.1
320.68311	2.4
330.23038	5.3
353.27008	15.9
371.20258	3.3
371.28006	17.3
372.24109	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01873	8.5
55.05510	46.6
57.03440	6.2
57.07072	6.5
59.04997	2.3
59.64775	0.8
63.59071	0.8
64.40289	0.9
65.03918	2.8
67.05504	100.0
68.53019	0.9
69.03426	3.4
69.07068	51.7
69.54058	5.3
69.54470	2.4
71.04999	6.2
71.08618	2.9
79.05490	40.2
81.07056	90.9
83.04979	7.6
83.08128	1.6
83.08614	24.1
85.06556	6.1
85.10180	1.9
87.04421	1.4
91.05470	12.4
93.07042	36.9
95.04947	3.1
95.08606	69.0
96.08932	1.2
97.06533	13.9
97.10167	27.4
98.20746	1.8
99.08090	5.0
105.07024	10.4
107.04948	1.2
107.08594	37.2
109.06512	3.7
109.10155	53.1
111.08127	5.9
111.11709	3.2
113.09631	2.5
117.07015	6.1
119.08556	6.8
121.10124	14.7
123.08078	2.4
123.11707	16.0
125.09634	16.6
125.13245	1.7
127.11218	1.5
130.05013	1.3
130.53619	0.9
131.08571	7.9
133.10130	7.8
135.08047	5.4
135.11690	29.6
136.12053	1.1
137.09601	2.7
137.13246	10.8
139.11136	1.0
143.10596	1.0
145.10136	5.7
145.46519	0.8
147.06512	1.1
147.11700	6.3
149.09592	1.9
149.13245	9.9
151.11249	1.4
151.14830	4.5
153.09099	2.2
153.12726	12.7
155.10664	1.3
159.10498	1.1
159.11642	6.5
161.13263	6.5
163.11188	2.2
163.14824	5.5
165.12717	4.4
167.14256	1.5
171.10149	1.9
173.11723	9.4
173.13248	6.4
173.72336	0.9
175.14821	3.3
177.12740	3.0
177.16458	2.7
179.14268	2.6
181.12300	2.3
181.15926	1.6
187.14813	4.7
189.11226	14.5
189.16411	0.9
191.14352	1.9
193.15846	1.3
195.13824	2.4
203.17798	1.7
205.15910	1.7
209.15388	2.1
219.21095	1.7
223.16920	2.4
227.12798	5.9
232.72375	1.0
233.22672	4.0
243.21101	13.1
245.13795	4.4
261.22122	30.0
262.22540	1.6
279.23184	66.9
280.23456	3.2
297.24301	1.2
353.26862	47.0
353.59998	0.9
354.27151	3.0
371.27972	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01874	5.8
55.05510	35.1
57.03430	7.6
57.07076	9.2
62.71460	1.7
67.05505	76.9
68.05846	2.6
69.03427	3.1
69.06715	3.1
69.07069	39.8
70.22654	7.7
71.04990	5.1
71.08232	2.9
71.08630	69.4
79.05495	41.4
81.07056	100.0
81.60534	1.7
82.07374	1.9
83.04984	10.3
83.08624	24.9
85.06549	6.5
85.10197	2.4
89.06035	2.2
91.05475	22.2
93.07041	36.8
95.04971	3.5
95.08606	72.0
97.06526	10.1
97.10167	19.9
97.64255	1.7
98.20787	2.4
99.08093	70.4
105.07026	21.5
107.08604	26.1
109.06528	2.1
109.10162	34.7
111.08080	5.7
113.09641	2.5
115.19404	1.7
117.07011	4.8
117.09107	2.4
119.08584	14.7
121.10146	19.2
123.08102	3.0
123.11689	11.5
125.09622	13.2
127.11162	4.2
131.08569	10.4
133.10136	8.1
135.08031	3.0
135.11700	17.5
137.09605	4.5
137.13231	9.9
139.11180	2.9
145.10110	8.7
147.11688	44.6
149.09636	3.8
149.13281	9.3
151.11148	2.4
151.14854	5.3
153.12762	13.3
155.10666	2.1
159.11748	5.4
161.13264	9.2
162.37791	2.1
163.11201	7.8
163.14796	18.7
165.12743	19.1
167.14351	4.2
168.94263	1.9
173.11751	10.9
173.13274	8.1
175.14862	3.8
177.16411	3.6
181.15883	9.8
187.13351	2.0
187.14871	5.5
189.11234	7.9
191.14357	1.8
207.51378	2.1
209.15443	3.8
223.17049	2.6
227.12729	3.9
233.22646	4.5
233.98463	2.1
243.21065	19.5
261.22150	38.6
279.23187	92.9
280.23471	3.1
297.24014	2.0
324.72910	2.1
353.26868	60.0
354.27206	5.1
371.28082	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01875	4.3
55.05265	2.6
55.05510	40.1
56.96564	4.7
57.03436	21.3
57.07076	14.4
59.04992	2.2
67.05505	80.4
69.07074	29.7
71.08335	2.2
71.08641	25.7
79.05495	32.4
81.03436	2.5
81.07059	100.0
82.07384	2.8
83.04977	7.7
83.08622	24.8
85.02909	3.1
85.06532	4.5
85.10181	24.2
91.05477	24.3
93.07050	36.2
95.04969	6.9
95.08605	75.6
97.06539	9.0
97.10162	5.8
98.35545	2.5
98.97592	5.2
99.08109	25.2
101.06009	2.6
105.07029	20.3
107.08588	21.2
109.06496	3.4
109.10156	22.0
111.08086	5.0
113.09651	34.4
116.98591	6.9
117.07009	4.4
119.08548	14.5
121.10139	18.1
123.08094	3.3
123.11704	13.7
131.08559	9.8
133.10132	22.2
134.99672	6.6
135.11700	16.8
137.13283	9.6
139.11221	2.8
145.10103	3.5
147.06534	4.2
147.11710	20.1
149.09616	5.2
149.13269	11.2
152.20261	2.2
153.12772	3.9
154.21303	2.4
157.10217	2.8
159.11668	4.6
161.13278	9.9
163.11176	3.5
163.14806	5.9
165.12747	6.5
167.14272	3.4
173.11781	3.3
173.13240	6.2
176.83853	2.4
177.12740	2.3
179.14342	5.5
187.14815	5.2
191.14311	2.9
195.13803	4.5
201.16370	3.1
209.15254	4.9
215.03148	2.4
229.51546	2.8
233.22691	2.9
242.99994	2.9
243.21083	8.0
253.17926	4.9
261.22153	12.3
279.23190	39.3
280.23621	3.4
353.26892	13.2
371.21094	2.5
371.27905	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01873	5.2
55.05510	42.8
57.03433	20.3
57.07070	8.7
58.79997	1.8
59.05003	1.8
65.03946	3.8
66.95309	2.1
67.05504	99.5
69.03425	2.3
69.07065	63.2
69.32532	16.9
71.05005	5.6
71.08628	3.9
79.05492	37.9
81.07056	100.0
82.07376	2.3
83.04979	6.5
83.08613	20.2
85.02945	2.2
85.06533	8.3
91.05470	13.8
93.07043	43.3
95.05004	3.1
95.08602	67.5
97.06529	13.6
97.10166	15.6
98.21455	3.3
99.08093	2.8
101.06004	2.6
102.96243	1.6
105.07037	9.3
107.08590	22.9
109.06522	3.8
109.10156	44.8
109.10919	2.3
111.08075	2.2
111.11711	3.8
113.09666	1.7
117.07069	3.2
119.08582	9.0
121.10137	26.5
121.44004	1.7
123.08070	2.3
123.11682	14.4
125.09630	7.6
129.05463	2.8
131.08574	6.9
133.10144	5.7
135.08080	2.8
135.11694	17.5
137.13226	9.3
139.00162	2.0
139.11177	13.5
145.10112	2.4
147.06532	2.0
147.11702	4.5
149.09644	3.6
149.13307	8.7
151.14799	2.8
153.12807	3.8
157.56277	2.0
159.11699	5.1
161.13283	6.2
163.11168	3.4
163.14799	5.3
165.12836	2.8
167.10678	2.7
173.11729	17.9
173.13258	7.0
177.16527	1.7
179.14421	2.2
181.15924	2.4
185.11751	1.9
189.11194	2.4
203.12785	4.0
215.17960	2.1
229.14394	2.6
233.22662	2.1
243.21104	5.7
251.23535	1.7
261.22125	19.3
279.23206	36.0
353.26877	14.0
371.27939	54.1
381.15878	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81596	6.0
54.46423	5.7
55.05499	14.2
57.07061	10.6
58.09370	6.5
59.30204	5.8
65.37532	7.7
67.05495	29.0
69.07053	16.4
69.35833	65.7
71.08604	8.0
74.19978	6.1
79.05495	39.5
81.07048	37.3
83.04959	10.2
91.05452	33.9
93.07032	100.0
95.05004	10.2
95.08601	52.7
97.06535	27.2
103.05446	6.4
105.07020	49.8
107.08588	51.9
109.06521	12.5
109.10171	27.1
117.06988	10.7
119.08573	55.4
121.10138	34.7
123.08087	17.8
123.11728	11.0
128.06259	10.1
129.06990	15.7
131.08571	29.1
133.10098	38.3
135.08026	12.6
135.11751	18.9
139.07544	44.1
141.07057	8.3
143.08517	19.6
145.10121	49.3
147.06493	8.2
147.08083	7.6
147.11652	19.9
149.09586	6.7
149.13147	8.0
155.08548	13.0
157.10100	39.3
159.11713	27.5
161.09657	10.5
161.13361	10.1
163.11209	10.0
165.09055	7.4
169.10007	8.9
171.11649	19.5
173.13304	15.7
175.14763	18.0
185.13283	13.6
187.14801	26.1
195.11661	18.1
197.13232	13.8
199.14824	7.7
268.26141	10.0
353.25571	7.4
371.25711	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	371.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01851	0.6
55.05500	1.0
56.96544	0.8
57.03422	1.0
58.29850	0.4
61.02909	0.4
65.03935	0.5
65.04768	0.4
67.05495	1.2
69.03426	4.7
69.07068	1.2
70.06582	1.5
71.05007	0.8
71.60122	0.5
73.02904	0.6
73.06535	1.2
76.49373	0.5
79.05486	1.6
81.03407	2.4
81.07050	2.3
83.04981	3.0
83.08620	0.7
84.08147	1.0
85.02907	4.0
85.06532	0.6
86.09715	1.0
87.00816	0.4
87.04459	5.3
89.06026	100.0
90.06370	1.0
91.05487	1.6
91.07600	0.4
93.07036	1.4
95.04957	1.7
95.08607	2.4
97.02900	1.7
97.06535	1.0
98.06104	0.5
98.97576	1.1
99.04466	1.2
103.05457	0.8
105.07025	4.3
107.04957	1.4
107.07066	6.9
107.07760	0.6
107.07896	0.6
107.08568	4.9
109.02884	1.4
109.06507	2.3
109.10168	1.2
111.04456	0.5
111.08087	2.2
115.05425	0.7
116.98653	1.1
117.07011	0.6
117.09160	0.4
119.08557	1.1
121.06473	0.6
121.10123	2.2
123.08066	1.0
123.11691	0.7
125.09610	4.9
127.03918	2.1
130.08618	1.2
131.07037	1.2
131.08531	2.2
133.06512	2.0
133.08595	46.2
133.10027	2.9
134.99698	0.8
135.08052	5.4
135.11682	1.5
136.06216	0.9
137.05963	2.1
143.08511	0.6
145.10123	1.0
147.04341	0.5
147.11722	1.0
149.06035	0.6
149.09607	3.1
149.13255	1.2
150.10336	0.6
151.03883	0.8
151.09694	0.5
151.11174	0.4
153.09076	2.2
155.08238	0.4
156.05673	0.7
157.10185	0.4
158.10936	0.7
160.05247	0.5
161.04736	0.5
161.06032	1.2
161.09624	0.5
163.07524	0.6
163.11223	1.8
163.14845	1.1
167.07043	2.5
167.10692	0.6
173.13275	5.7
175.07518	1.0
176.11931	0.4
177.00751	1.0
177.05479	0.6
177.11214	10.5
187.07603	0.7
187.90790	0.4
191.07069	0.7
191.14299	22.6
191.81898	0.4
192.14658	0.5
193.08621	2.4
207.06686	0.4
209.04533	1.3
209.08052	0.5
209.15350	22.1
217.08620	0.8
221.13829	0.7
239.14973	1.1
249.09178	0.5
250.10777	1.0
263.06857	0.5
272.08093	0.9
277.08569	0.7
283.17578	1.2
292.59363	0.5
300.09796	0.8
308.93567	0.4
321.11221	0.5
323.08688	0.5
327.20206	1.2
329.08987	0.4
339.12250	0.7
341.13647	0.5
353.13727	1.1
353.19818	0.7
359.33640	0.4
371.16138	2.2
371.21063	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01872	1.6
55.05511	3.3
56.96562	1.5
57.03426	2.1
57.07070	2.9
59.04996	0.7
61.02931	0.8
67.05504	4.3
69.03430	15.1
69.07067	4.7
70.06591	9.1
70.09287	0.6
71.04997	1.6
71.08620	0.6
71.20562	1.3
71.20890	0.7
72.08148	2.1
73.02913	1.1
79.05500	4.8
81.03429	2.0
81.07057	7.1
83.04984	10.8
83.08602	1.5
83.18697	0.7
84.04514	2.3
84.08127	3.9
85.02906	8.2
85.06548	3.3
86.09708	8.1
87.04492	2.4
89.06032	39.7
91.05503	4.6
93.07043	5.4
95.04979	2.9
95.08607	7.5
97.02906	3.2
97.06521	1.7
98.97601	3.0
99.04463	2.0
99.08099	1.3
101.06009	0.8
103.05484	0.9
105.03394	2.2
105.07025	6.3
107.04965	2.1
107.07075	1.9
107.08597	15.5
108.38264	0.7
109.02876	1.8
109.06522	7.0
109.10132	3.4
110.07181	1.5
111.04459	1.0
111.08094	8.7
116.98634	3.0
117.07038	2.0
119.08580	4.6
121.06499	2.4
121.10140	11.1
123.07301	0.8
123.08019	4.2
123.11712	2.7
124.80103	0.7
125.05997	1.1
125.09634	24.3
127.03894	4.7
127.08684	0.8
129.05501	1.0
129.07025	1.5
129.10233	2.0
130.08646	1.5
131.04953	2.2
131.08583	8.2
133.06564	1.7
133.08615	20.6
133.10126	7.9
134.99704	2.4
135.08060	18.5
135.09096	0.8
135.11707	6.6
136.05269	0.9
136.06200	1.1
136.08902	1.0
137.05963	5.0
137.09637	1.7
143.08533	2.6
145.04993	1.0
145.10132	3.9
146.99686	1.0
147.04323	1.0
147.06494	1.5
147.08034	1.1
147.11700	3.8
149.05939	1.2
149.09631	13.5
149.13228	3.8
150.10411	3.5
151.11137	1.3
153.09113	9.3
155.08212	1.5
158.10912	3.1
158.99677	1.8
159.08047	1.6
161.05989	3.1
161.09601	1.7
163.07539	1.2
163.11201	7.1
163.14835	4.4
165.12737	1.8
167.07019	2.7
167.10718	1.2
171.11769	1.1
172.05188	1.0
173.13280	18.2
175.07535	1.6
175.11050	0.8
176.11969	3.3
177.00748	3.1
177.05609	1.0
177.11223	4.2
179.07080	1.4
187.07536	0.9
191.14311	94.9
192.14609	2.9
209.04433	4.3
209.15367	100.0
210.15698	3.1
217.08594	1.1
219.10123	1.2
233.15314	1.0
237.02805	1.2
237.09085	1.0
261.09326	0.9
265.08414	0.8
272.08057	3.7
272.58328	1.2
281.08649	1.3
290.09064	1.0
311.12650	1.4
353.13165	1.0
353.19739	3.6
362.11157	0.8
371.16290	2.5
371.20563	20.2
372.21072	1.1
378.10257	0.7
383.10229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03951	7.8
54.07409	0.6
55.01873	3.0
55.05514	11.0
56.96574	1.1
57.03438	5.7
57.07064	0.8
59.04984	0.5
61.02930	4.4
65.03938	0.7
67.05173	0.7
67.05511	12.8
69.03429	19.1
69.03806	0.9
69.07070	10.4
70.72869	1.3
70.73207	0.7
71.04992	10.8
71.08626	0.6
71.41866	0.5
73.02906	2.1
79.05493	8.3
81.03418	100.0
81.07057	24.8
81.53185	0.6
82.03761	1.2
83.01344	0.8
83.04971	4.0
83.08612	5.5
85.02904	34.6
85.06531	3.6
86.51631	0.7
87.04463	2.6
91.03968	2.3
91.05467	9.0
93.07045	11.1
95.04972	8.0
95.08604	24.5
96.08947	0.7
97.02890	15.3
97.06532	6.3
97.10144	1.4
99.04449	22.0
99.08099	1.6
101.06030	0.7
105.07034	9.1
105.61649	0.6
107.04968	0.7
107.08589	6.6
109.02867	7.4
109.03462	0.6
109.06531	4.7
109.10152	3.4
111.04444	1.9
111.08083	1.6
117.07025	1.0
119.08582	10.7
121.06522	2.5
121.10147	5.1
122.07323	1.5
123.08070	10.5
123.11703	1.3
125.09558	0.8
127.03912	13.8
127.04783	1.1
127.07487	0.8
129.05472	1.4
129.73312	0.7
131.08574	2.1
133.10141	6.9
135.08055	12.2
135.11678	4.3
137.09631	2.1
137.13268	2.1
139.03932	2.3
139.07552	0.5
145.04959	13.7
145.10133	2.0
146.05394	0.6
147.08072	0.9
147.11713	2.5
149.09666	2.4
149.13304	0.7
151.11191	0.8
155.08595	0.8
157.04970	10.0
161.13251	8.6
162.13623	0.6
163.06046	1.0
163.11165	3.4
163.14944	0.9
164.65407	0.6
165.12756	18.1
167.07143	0.6
167.10733	1.4
169.08586	1.0
173.13264	0.7
175.14938	1.6
176.12000	1.6
177.12767	0.6
179.14340	3.5
191.10692	2.9
191.14307	37.2
192.14749	1.1
193.15863	3.1
207.13864	1.0
209.15329	5.7
211.77083	0.6
227.12912	1.4
253.11032	0.8
269.08997	0.9
271.12283	0.9
283.10953	1.5
309.17053	1.2
311.10172	1.2
327.18091	1.3
339.09381	0.7
353.15994	0.8
371.12030	3.1
371.16306	0.7
371.20590	17.0
372.21017	1.0
382.03262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01866	9.5
55.05512	9.2
57.03447	4.3
59.90365	3.5
67.05496	10.6
69.03433	13.8
69.07070	22.9
70.33561	15.7
71.04999	5.6
79.05488	16.4
80.05031	3.6
81.03415	18.0
81.07056	34.1
83.04990	6.2
83.08611	3.8
83.84923	3.4
85.02899	19.0
86.09719	5.8
89.00628	7.8
91.05432	17.9
93.07049	29.0
94.91450	3.5
95.04965	9.2
95.08620	17.8
97.02901	6.9
97.06499	6.5
99.04492	4.0
101.06001	4.3
105.07020	19.5
107.04981	9.2
107.08582	33.6
109.02872	6.8
109.06506	5.1
109.10169	6.8
111.04510	4.5
116.98647	4.8
117.07017	9.5
119.08576	14.8
121.06519	16.7
121.10152	11.2
123.08081	7.8
127.03919	7.8
129.05510	4.3
129.07059	4.5
131.04971	6.4
131.08568	14.4
133.06468	5.7
133.10133	14.8
134.99641	6.2
135.08063	11.8
135.11711	8.1
137.06009	4.6
137.09579	6.5
143.08569	12.4
144.99545	5.7
145.10152	12.9
147.06537	7.7
147.11674	36.5
148.46446	4.2
149.09593	8.1
149.13243	9.8
157.10147	7.3
159.11644	6.3
161.09628	6.2
161.13246	6.6
163.11223	8.7
163.14828	14.6
167.07054	8.8
173.09663	5.3
173.13286	11.7
177.12752	10.0
185.13257	12.9
191.00130	26.1
191.10667	5.6
191.14297	100.0
203.14381	6.4
207.08095	6.7
209.15382	5.5
221.06328	5.1
222.06763	6.6
231.13831	6.5
235.11444	4.2
247.07472	4.5
249.09094	9.4
252.07793	8.0
253.08388	4.3
263.07147	5.8
265.08609	16.5
266.09375	9.0
279.09943	4.1
280.07327	7.0
281.07938	4.3
293.11591	5.6
296.10477	7.4
311.12811	7.9
321.11450	5.9
339.12268	91.2
340.12845	12.5
340.60168	4.1
341.10266	4.6
353.14111	4.6
371.15265	31.1
371.20444	3.7
371.25684	5.6
377.71768	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	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	4.0
55.01858	3.9
55.05506	3.0
56.96550	1.9
57.03432	7.5
59.04984	2.1
61.02927	12.2
67.05497	3.3
69.03429	34.9
69.07065	12.1
70.07454	0.8
70.38432	2.5
71.04985	5.0
73.02905	6.0
74.75500	1.1
79.05478	6.2
81.03413	14.3
81.07056	8.3
83.04972	1.9
83.08587	2.3
85.02904	90.7
87.04454	7.3
91.03941	6.7
91.05451	4.6
93.07051	6.1
95.04958	21.0
95.08598	6.5
97.02888	32.3
97.06519	7.2
99.04433	6.0
105.07002	4.6
107.04961	1.2
107.08601	10.1
107.83058	0.9
109.02866	8.4
109.06503	10.3
109.10143	4.0
116.98597	1.1
119.08566	5.7
121.06503	7.1
121.10149	3.9
122.07288	4.5
123.08064	22.7
123.11663	1.7
127.03912	27.8
131.08603	2.8
133.10123	4.8
135.08049	36.2
135.11673	3.7
137.05971	1.1
137.09607	1.3
137.13240	1.6
143.08456	1.3
145.04958	37.4
145.06116	1.9
145.10168	2.2
147.06573	1.3
147.11661	5.4
148.08801	1.6
149.09641	3.2
149.13307	1.5
161.05992	1.1
161.13228	1.5
163.06042	3.2
163.14758	2.0
165.12750	57.1
166.13168	1.7
173.13260	3.1
175.11191	1.5
175.14835	3.6
176.11768	4.8
177.12776	1.8
191.14296	100.0
192.07852	1.2
192.14667	3.0
193.15840	7.0
207.13808	3.3
209.15346	13.5
309.17029	1.7
327.18112	2.7
333.50217	1.0
356.17801	1.9
371.20663	45.3
372.21054	2.3
388.79309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01855	2.9
55.05507	2.9
56.96558	2.0
57.03433	2.3
57.07071	1.0
61.02915	2.8
65.03944	0.8
67.05497	4.7
68.07000	0.8
69.03432	14.0
69.04195	0.8
69.07059	4.1
70.06594	2.4
71.04975	1.5
71.59976	1.5
72.08167	1.2
73.02901	1.4
79.05492	4.5
81.03418	9.2
81.07056	7.0
83.04996	4.2
83.08604	1.2
84.04495	1.3
84.08152	1.4
85.02903	28.6
85.06490	1.2
86.09703	1.3
87.04466	1.4
90.35110	0.8
91.03965	1.4
91.05441	5.6
93.07040	5.1
94.62196	0.7
95.04965	3.3
95.08601	6.2
97.02897	8.3
97.06532	2.0
98.97595	1.1
99.04454	2.4
99.08107	1.0
100.11255	1.4
103.05468	2.5
105.07030	7.0
107.04966	5.7
107.08586	9.2
109.02878	3.7
109.06512	6.8
109.10162	2.7
114.48581	0.7
116.98595	1.8
117.07035	1.9
119.04941	1.3
119.08585	4.8
120.08065	1.5
121.06525	2.5
121.10149	13.4
122.07276	1.5
123.08047	5.7
123.11674	3.5
125.09628	0.8
127.03916	6.5
128.98615	0.8
129.05452	1.3
129.07001	3.0
131.04935	4.4
131.08566	4.2
132.05696	3.2
133.06474	1.4
133.10118	3.3
134.99617	0.8
135.08047	2.9
135.11664	1.4
136.06216	1.1
137.05962	4.6
137.09608	11.8
137.13263	1.0
142.07784	0.9
143.08562	1.9
145.04951	4.8
145.10109	2.9
146.99620	1.2
147.06537	1.4
147.11699	3.3
149.05991	1.1
149.09627	9.2
149.13281	5.0
151.03955	1.9
151.07594	1.4
151.11179	13.3
152.11580	1.3
157.10126	1.4
159.08022	1.1
159.11728	1.8
160.05206	2.3
161.05936	1.0
161.13231	0.9
163.03987	1.0
163.07568	1.0
163.11217	1.7
165.05452	1.1
165.12750	43.2
166.13121	1.5
167.07071	5.2
168.94644	0.9
173.13293	2.6
175.07501	1.0
175.11235	0.9
177.05481	2.3
179.06953	1.4
180.07813	1.1
185.13297	1.0
187.03989	2.0
187.07556	1.2
191.07001	1.5
191.14291	13.8
192.07814	8.2
193.15784	1.5
209.15367	100.0
210.15804	6.1
215.14294	1.3
217.08597	2.5
235.07631	1.1
261.09177	1.2
265.08649	1.6
277.08719	0.9
280.07205	1.0
293.08768	1.0
293.11847	1.1
296.10638	0.9
300.09595	1.0
309.11157	1.1
311.09854	1.0
321.11166	1.6
325.14645	1.1
339.12463	5.3
353.13879	2.0
371.11282	1.2
371.15973	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01872	1.4
57.03440	2.0
58.54235	1.4
59.16006	1.4
61.02917	3.5
67.05501	3.5
69.03433	10.9
69.07052	2.1
70.17374	3.0
70.17796	4.2
71.04980	1.8
75.62935	1.5
81.03398	6.7
81.07042	5.5
83.04966	4.6
85.02902	26.5
95.04964	4.5
95.08610	2.6
97.02898	5.8
105.07018	3.3
107.08595	8.5
109.02857	4.1
109.06509	4.9
109.10146	3.2
119.08610	1.6
121.10145	9.9
123.08052	4.9
123.11668	3.1
127.03880	3.7
133.10126	3.3
135.08049	4.2
137.09596	9.3
145.04964	4.9
147.11719	3.4
147.79247	1.8
149.09669	8.7
149.13246	5.1
151.11163	18.9
165.12750	43.2
173.13385	2.4
191.14320	19.6
209.15359	100.0
210.15727	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98237	7.9
55.01864	10.1
55.05500	33.1
66.09811	7.3
67.05516	9.7
69.03424	12.6
69.40723	68.7
79.05496	17.9
81.07059	24.7
83.04962	26.2
83.08611	19.6
85.02888	16.9
93.07030	9.5
95.08607	21.9
100.11244	33.4
100.69617	8.1
105.07022	23.9
107.04996	7.3
107.08580	29.8
109.10126	21.0
121.10168	36.5
125.09608	11.6
127.03893	8.9
130.68787	7.2
133.10126	20.3
135.08058	11.1
139.11169	8.8
143.11700	8.7
145.10112	8.1
147.07982	9.4
149.09653	15.8
149.13220	13.4
151.11200	61.8
161.15596	7.6
163.11201	7.9
163.14848	20.8
173.13240	22.0
182.15407	18.1
191.14316	47.8
203.58360	8.5
209.15161	37.6
210.14839	16.6
225.15930	21.0
253.15446	9.8
279.10098	12.3
289.71741	19.4
327.14099	29.0
371.13144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01855	3.5
55.05504	21.7
57.03436	6.5
57.07069	16.7
57.50024	2.6
67.05486	9.0
69.03434	25.7
69.07066	30.2
71.04967	6.7
71.51892	4.5
77.29275	2.6
79.05489	29.0
81.03407	13.7
81.07053	100.0
83.04981	17.7
83.08617	54.6
85.02898	24.0
85.06530	7.9
91.05479	5.6
93.07040	29.5
95.04971	8.9
95.08603	19.1
97.02887	9.6
97.06513	13.8
99.04453	4.3
103.39452	2.8
105.07003	9.6
107.08583	34.1
109.02872	7.4
109.06517	64.2
109.10155	35.8
111.08072	23.6
117.07034	5.0
119.08559	5.3
121.06399	2.9
121.10129	29.5
123.08046	6.9
123.11701	28.9
125.09604	3.8
125.13255	9.2
127.03896	21.6
127.07531	8.5
133.10101	9.2
135.08049	7.7
135.11641	5.3
137.09586	4.0
139.07527	3.0
139.11188	4.0
147.11690	3.4
149.09633	8.8
149.12154	5.4
149.13263	53.5
151.11198	6.4
153.09097	9.4
163.11151	3.3
163.14803	9.0
167.14317	66.3
168.14612	2.6
171.10155	6.7
173.13211	7.3
191.14285	27.9
202.78427	3.2
209.15388	28.4
227.16312	2.9
335.18576	4.2
353.19748	6.7
371.16647	5.6
371.20795	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	371.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10986	1.3
53.03939	1.9
55.01875	20.9
55.05509	20.7
56.96568	3.2
57.02228	1.4
57.03434	6.5
57.07069	2.5
63.29240	1.8
65.03943	1.4
67.05504	48.4
68.61705	1.2
69.03424	11.6
69.07063	18.8
69.67542	9.6
71.04992	5.1
73.02912	3.4
79.05489	28.7
81.07054	94.6
83.01337	18.6
83.05001	3.9
83.08613	13.8
84.99274	2.2
85.02900	7.7
85.06528	7.4
85.14758	1.3
91.05472	31.6
93.07040	37.1
95.01332	1.7
95.04964	5.2
95.08601	100.0
97.06524	15.6
97.10165	3.8
99.08105	7.1
99.72306	1.5
101.02361	5.1
101.05994	2.0
105.07026	35.0
105.66399	1.5
107.04973	2.5
107.08578	11.9
109.06547	3.0
109.10143	9.5
111.00820	9.9
111.08056	5.2
113.02372	5.7
115.07548	1.5
117.07010	4.1
119.08577	44.4
121.10144	8.2
123.08077	5.1
123.11695	1.5
129.01840	24.1
129.05441	1.5
131.08588	2.6
133.10121	28.1
133.11081	2.8
135.11678	18.8
137.09630	5.0
137.13264	12.4
145.10107	1.9
147.06502	1.7
149.05920	1.5
149.09660	1.4
151.11250	1.7
151.14810	4.3
157.01370	5.2
159.11777	2.9
161.13252	79.7
163.14755	1.5
167.06996	1.8
173.04530	2.7
177.05594	1.5
177.12712	2.0
179.14307	48.0
184.63681	1.4
191.07054	1.5
201.04005	2.0
229.03477	5.0
247.04424	2.1
325.16418	8.1
335.14713	2.6
353.15875	15.9
371.17273	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
55.05503	3.2
56.96566	3.9
57.78362	1.7
60.10333	1.6
67.05500	3.0
69.03405	2.7
69.35505	19.2
71.05003	3.2
79.05511	12.3
81.03427	2.1
81.07061	4.7
85.02908	3.9
91.05463	9.5
93.07035	5.3
94.04181	4.9
95.05007	3.6
95.08582	4.1
102.64642	2.0
103.05474	3.5
105.07018	4.6
107.04961	27.3
107.08607	4.6
109.06551	5.7
109.10172	2.0
111.04465	2.4
115.05467	6.0
116.06246	4.2
117.07045	2.8
119.08591	2.7
121.06474	2.7
122.03657	8.1
123.04481	2.5
124.05221	2.9
125.06003	2.7
128.06223	6.2
129.05464	3.4
129.06998	15.1
131.04922	6.7
131.08565	12.5
132.05684	2.4
133.02814	2.7
133.06482	2.3
133.10075	3.2
137.05983	100.0
141.07002	5.1
144.05728	11.9
145.06454	5.8
147.04417	2.8
149.05966	3.1
151.03899	3.7
151.07541	5.1
156.05693	23.7
157.06500	5.5
158.07297	2.5
159.08081	15.2
161.05940	4.7
163.03986	3.4
163.07486	2.3
165.05507	1.8
167.07037	44.8
167.08430	3.8
169.06519	5.4
172.05200	5.6
173.05988	5.0
174.06784	8.7
175.07570	12.9
177.05522	6.7
177.06950	2.5
178.07784	4.7
181.04990	3.0
181.06496	4.7
181.08514	2.3
184.05217	2.9
186.06807	2.6
187.07555	21.8
189.07097	4.1
189.09100	10.4
190.07829	4.5
191.08553	3.0
192.07790	2.2
195.08089	4.0
196.05104	2.4
197.05975	3.7
198.06813	4.3
199.07547	3.3
201.09285	3.3
202.06277	6.6
203.06981	2.9
203.08598	9.4
204.09456	2.5
205.06616	4.2
205.08643	7.0
206.07309	6.6
207.06404	2.3
207.08188	4.7
207.40634	1.9
210.06885	1.9
211.07545	6.1
214.06204	2.6
215.06888	3.4
215.08752	4.1
217.06667	3.9
217.08597	79.2
218.07336	13.0
218.09111	2.9
219.08076	7.1
219.09969	3.4
220.08694	2.6
221.09608	6.2
223.07536	5.6
224.04689	3.4
225.05467	2.3
225.09236	2.4
226.06261	5.6
227.07077	3.6
231.08084	8.6
232.08885	4.2
233.06042	4.1
233.09607	16.6
234.06712	11.2
235.07555	14.9
237.05470	3.7
237.08949	3.3
238.09900	4.1
239.07011	22.3
240.07623	3.4
241.08636	15.5
242.05782	6.4
243.08249	2.2
246.06685	5.0
247.07469	7.7
247.09721	30.8
248.08304	3.8
249.09084	23.1
250.06262	2.6
250.09776	5.0
251.07091	7.2
251.10619	3.5
252.07802	11.5
255.06570	3.8
256.07309	3.2
257.08102	5.9
259.07504	2.7
260.08389	5.6
261.09152	28.8
262.06207	3.6
262.09644	2.8
263.07056	13.6
263.10501	3.9
264.07773	3.7
265.08627	6.0
266.09424	6.1
267.10046	3.3
269.08087	7.0
270.08566	3.4
271.05927	9.5
275.07114	3.4
275.10510	2.4
277.08652	22.3
278.09357	18.1
279.06573	5.6
279.10025	3.5
280.07324	8.5
281.11691	8.6
283.09705	3.0
285.07587	53.3
286.08200	3.0
289.08478	9.0
290.08990	2.3
291.06781	3.2
291.10260	6.0
293.08115	5.8
293.11713	22.7
294.08865	4.6
295.09567	7.4
298.08325	4.5
300.09918	68.8
301.10669	18.1
306.08801	10.1
307.09445	9.2
308.06918	2.7
308.10226	3.4
309.11234	21.9
311.09067	4.3
313.10696	10.6
321.11224	30.8
322.11938	5.9
323.09128	11.0
326.11493	20.6
327.12003	4.2
338.11429	9.0
339.12061	8.8
341.10245	3.6
341.13849	11.9
353.13824	57.1
354.14117	3.4
371.11157	2.6
371.14963	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	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73807	1.8
73.21677	0.5
74.22083	0.6
81.07066	0.6
91.05456	0.6
91.73775	0.5
98.21404	0.6
105.68877	0.6
107.08637	0.6
119.01868	1.3
131.01855	0.7
161.02998	1.2
221.05113	1.1
227.05301	1.2
271.04276	2.0
285.13223	2.9
303.12894	1.3
323.28812	0.7
327.14124	25.9
362.09882	0.6
371.13123	100.0
372.13443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86797	0.8
53.03943	1.3
55.01849	1.4
55.05499	3.0
56.96551	3.2
57.03423	1.3
64.62801	1.0
65.03925	1.3
67.05477	1.6
69.03409	5.1
69.07068	5.5
69.54874	6.7
69.55270	1.8
70.06580	2.3
70.52181	0.8
70.53438	1.0
71.04987	1.6
73.02910	2.4
76.33225	0.8
78.74659	0.9
79.05462	3.5
81.03400	3.5
81.07066	5.4
83.04980	1.2
85.02905	4.4
88.03966	1.9
91.05453	3.9
93.07022	4.1
95.04939	2.0
95.08607	4.5
97.02870	4.6
97.06512	2.7
97.99118	1.0
98.97595	4.6
99.04430	1.4
103.05488	1.1
105.07054	5.5
106.07236	1.1
107.04925	4.6
107.08570	3.7
109.02875	2.1
109.06512	1.3
111.04459	1.2
111.08080	1.2
111.11720	0.9
115.05435	1.0
116.98621	3.0
117.06979	1.3
119.01891	2.2
119.08562	2.0
121.06453	1.7
121.10105	3.0
127.03882	3.8
129.05450	1.0
129.06960	1.6
131.04932	1.9
131.08597	1.9
133.10106	3.3
134.99625	2.0
135.08073	1.5
137.05948	3.9
143.08540	1.7
144.01123	2.3
145.10092	3.2
147.06424	0.9
149.09586	4.0
155.08528	1.6
158.99617	1.8
159.07817	1.0
159.11714	0.8
161.05959	1.3
163.07570	1.1
163.11156	2.1
167.07022	5.2
167.10652	1.3
171.11720	1.4
173.09619	2.4
173.13190	0.9
177.00641	2.9
183.07846	1.3
187.07584	1.1
190.01611	3.9
191.00043	1.4
191.02014	1.5
191.07016	1.3
191.10606	1.7
191.14301	2.0
192.07915	2.3
193.08676	1.4
208.02786	1.1
209.15324	2.2
217.08551	1.2
217.12311	2.2
218.07239	1.4
219.01744	1.4
226.06474	1.0
228.27766	0.9
231.08638	0.9
235.07387	1.1
237.02748	1.8
240.09361	16.5
240.59512	3.1
241.08238	1.1
260.60754	1.7
265.08508	1.2
271.04172	1.6
285.13052	2.5
301.09985	1.1
319.10596	1.6
321.10919	1.2
327.14163	15.1
339.12277	4.8
353.13382	1.2
371.13052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27460	2.5
53.03962	3.0
55.01878	5.8
55.05506	6.2
56.96551	5.8
66.30809	2.5
67.05500	7.6
69.03419	8.0
69.07075	5.8
70.06597	16.8
71.04997	6.2
71.06017	6.2
71.06346	2.6
72.08165	3.3
72.91728	2.6
73.02905	6.3
79.05507	16.5
81.03430	3.8
81.07059	20.7
83.04982	5.6
83.08591	3.9
84.04512	5.4
84.08138	7.8
85.02899	6.0
86.09692	11.4
91.05439	22.3
93.07050	9.3
95.04974	10.8
95.08602	4.9
97.02888	5.0
98.97569	5.8
99.52989	2.9
105.07036	22.0
107.04945	11.1
107.08611	6.8
109.06547	3.5
109.10172	3.8
110.07153	4.2
111.04414	4.5
115.05473	7.8
116.98624	6.9
117.06990	16.5
119.08591	7.5
121.02890	4.7
121.06442	3.7
121.10139	4.8
127.03967	4.0
127.75906	3.1
128.06218	10.9
129.07025	25.1
129.10252	3.5
131.04924	3.5
131.08549	22.4
133.06601	3.4
134.99631	5.6
137.05998	17.3
141.07011	6.8
142.07808	8.0
143.08559	40.1
145.06511	4.9
145.10121	33.2
146.99626	2.7
147.04414	7.9
147.06458	3.7
147.08070	2.4
149.09590	3.1
149.13272	3.9
151.03865	3.3
155.08536	7.8
156.09390	14.9
157.06522	9.5
157.10118	13.0
161.05978	12.0
161.09740	3.6
163.03899	3.3
165.05566	4.0
165.06987	6.3
166.07709	2.9
167.07066	10.5
167.14311	3.9
169.10181	5.5
171.08075	4.1
171.11696	82.0
173.09714	3.4
173.13210	6.6
175.07542	8.6
177.05457	4.6
181.08733	3.1
181.10173	19.2
184.08736	3.8
187.07240	2.6
187.11156	3.9
189.12727	3.6
199.11180	37.6
200.11549	2.7
201.12534	3.3
209.07895	3.2
215.10623	3.3
217.08820	5.7
217.12248	100.0
218.17068	3.1
227.06129	3.1
227.10811	9.0
237.02695	3.2
239.07277	3.3
245.11784	15.1
249.09148	4.0
261.09186	3.4
265.08670	3.7
285.00952	3.2
285.07526	3.2
295.09946	3.0
300.09937	6.5
311.05573	5.0
321.10446	3.1
339.12085	6.6
353.13934	6.3
353.20950	4.7
371.10638	10.4
371.17001	30.7
372.07071	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	371.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04056	1.5
51.84728	1.6
53.03952	1.9
55.01867	4.3
55.05496	5.2
56.96552	3.5
57.03437	4.1
57.33042	1.8
62.47755	1.4
65.03931	1.5
65.32433	1.4
65.69675	1.5
67.05500	4.6
69.03428	6.3
69.07077	2.0
70.06591	3.3
70.84886	2.7
70.85221	3.3
71.04993	1.6
72.08169	1.9
73.04744	2.5
79.05497	8.7
81.03403	2.2
81.07063	7.3
82.59335	1.6
83.04993	3.0
84.08151	3.1
85.02898	6.6
86.09698	2.8
91.05389	18.5
93.07050	10.6
95.04979	7.3
95.08593	2.5
97.02898	4.9
97.06529	5.1
97.70760	1.4
98.97590	2.8
103.05452	3.2
105.07037	29.2
107.04955	3.1
107.08591	5.2
109.02866	3.7
109.06509	3.8
111.04507	2.0
115.05465	7.2
117.07015	18.5
119.04958	2.5
119.08562	13.2
121.06496	7.0
123.04512	1.8
124.03941	5.9
127.03905	2.8
128.06241	21.0
129.05525	2.8
129.07008	30.4
129.10106	1.6
130.07791	3.8
131.04947	2.1
131.08580	28.9
133.06496	6.0
133.10146	6.9
135.04417	1.8
135.08064	3.7
137.06009	4.0
141.06985	17.2
142.07808	11.9
143.08562	47.8
145.06516	7.4
145.10117	25.0
147.06691	3.4
147.08047	17.3
149.05942	3.9
153.06989	7.9
154.07742	3.9
155.08554	20.3
156.09351	13.5
157.06528	8.0
157.10136	14.6
158.07236	4.7
159.08067	6.6
161.05978	4.8
161.09637	10.3
161.13254	4.6
163.07559	5.2
165.07028	11.3
166.07790	14.4
167.08517	3.5
168.09367	3.3
169.06548	2.0
169.10187	8.1
170.07272	2.5
171.08070	15.6
171.11685	45.0
173.09605	13.6
173.13257	2.8
175.07559	6.6
175.11176	2.7
179.07062	2.0
179.08559	2.5
181.10117	43.4
183.08072	3.2
183.11687	5.6
184.08835	6.7
185.09644	6.0
187.07558	5.0
187.11269	1.9
189.09125	4.9
189.12730	10.8
191.10683	1.9
197.09505	2.3
199.07480	1.8
199.11174	57.8
201.09064	3.3
201.12727	10.0
203.10716	4.3
209.09621	8.6
217.12242	48.6
227.10658	38.9
245.11731	100.0
246.12198	2.7
263.12741	8.7
268.97903	2.7
285.01031	3.6
289.58420	2.7
371.11990	3.2
371.16998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81038	1.6
69.07063	9.8
71.17950	3.3
83.75365	1.5
85.88874	1.5
86.09704	100.0
97.02899	1.9
110.04977	1.8
110.07164	4.6
123.13637	1.8
132.10202	51.5
139.92540	1.5
181.85143	1.5
198.07539	1.6
219.01831	1.6
274.01938	1.7
339.84564	1.8
365.60007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0974
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
53.03931	0.2
55.05485	0.4
56.96539	0.3
65.03939	0.2
66.84026	0.2
67.05486	0.4
69.03413	0.6
69.27995	0.6
69.28413	1.3
70.06590	1.0
71.04980	0.3
72.08143	0.3
79.05497	0.8
81.03401	0.6
81.04543	0.2
81.07065	0.8
83.04953	0.3
84.04526	0.2
84.08145	0.6
85.02915	0.9
85.06509	0.2
86.09701	0.4
91.05853	0.2
93.03410	0.2
93.07036	0.5
95.04961	0.3
95.08588	0.4
97.02877	0.5
99.04447	0.2
101.06020	0.2
105.03381	0.2
105.07005	0.6
107.04952	2.3
107.08609	0.2
109.02883	0.4
109.06516	0.2
110.03665	0.4
111.04411	0.3
113.18435	0.2
117.07003	0.3
119.04894	0.2
119.08547	0.2
121.02847	1.0
121.06463	0.3
121.10136	0.4
122.03625	0.4
123.08060	0.2
127.03912	0.4
131.04907	0.2
131.08536	0.3
132.36281	0.2
133.06549	0.2
135.04419	2.1
137.05997	0.9
138.03110	1.3
145.03897	0.2
145.10130	0.3
147.04335	0.2
147.06485	0.2
149.02342	8.7
149.09613	3.0
150.03122	0.6
151.03873	0.3
153.05458	4.8
159.08057	0.2
163.03909	4.1
165.05475	2.0
166.02609	0.9
167.07080	1.0
171.11731	0.2
181.04959	0.8
187.07526	0.3
187.11055	0.3
191.14291	1.0
193.08611	0.2
194.02109	9.8
206.07129	0.2
209.04442	100.0
209.26317	0.2
210.04770	2.1
213.03883	0.2
217.08659	0.6
237.02893	0.2
241.08594	0.2
261.09109	0.3
263.07193	0.4
283.10092	0.2
285.07556	0.3
300.09720	0.3
301.10580	0.2
321.11011	0.4
339.12384	0.3
353.13812	0.6
371.09799	0.4
371.17059	2.7
371.21655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99296	5.2
53.03927	9.4
55.01858	11.0
55.05510	61.4
56.96560	17.9
57.03418	19.4
57.07071	9.6
67.05507	95.8
69.03432	9.1
69.07069	43.6
70.46143	19.2
71.05000	11.5
71.08636	53.7
79.05486	77.3
81.03419	20.5
81.07055	100.0
83.04962	16.7
83.08614	31.7
91.05480	51.1
93.07043	80.7
95.04974	40.1
95.08605	56.6
97.06519	14.9
97.10146	17.8
98.21372	8.5
99.08076	33.1
103.05454	6.1
105.07034	52.9
107.08579	49.8
109.06509	16.9
109.10158	37.7
111.04437	5.7
111.08031	9.8
117.07027	13.0
119.08562	36.6
121.06464	9.4
121.10168	36.6
123.08008	8.6
123.11672	6.6
125.09624	26.9
131.08559	30.0
133.10135	26.1
135.11668	30.6
137.09497	7.3
143.08601	15.7
145.10141	13.9
147.11676	20.9
149.02383	9.7
149.09564	9.6
149.13239	15.4
151.11157	52.6
157.10168	12.0
159.11671	17.4
161.09630	13.1
161.13322	18.1
163.11205	14.7
165.12794	16.5
171.11612	10.7
173.11749	23.3
173.13165	8.0
175.14798	10.9
177.12732	9.1
179.14310	7.6
189.11281	15.1
189.12764	7.1
190.95450	8.0
193.04999	13.3
207.44667	6.6
227.12805	21.7
241.19533	8.6
249.32793	6.6
250.97536	5.9
253.18103	13.4
259.20529	12.8
269.17426	13.7
270.38745	6.7
277.21573	78.0
311.19821	7.5
351.25504	31.2
369.24240	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01871	14.7
55.05510	67.1
56.96559	7.4
57.03443	26.0
57.07083	10.3
65.03946	3.5
67.05505	90.2
69.03413	6.0
69.07072	39.1
69.61149	15.6
71.04987	7.5
71.08630	50.3
77.16631	2.3
79.05493	51.1
81.03415	9.0
81.07058	99.4
83.04973	14.4
83.08620	41.1
85.06534	7.6
85.10178	9.5
91.04964	3.4
91.05482	47.0
93.07043	58.2
95.04969	22.6
95.08603	50.1
97.06530	19.5
97.10167	10.5
98.21397	3.1
99.08092	45.3
105.07030	37.0
107.04969	8.9
107.08598	37.9
109.06516	10.1
109.10149	25.1
111.08078	17.2
113.09640	17.7
117.07007	9.3
119.08587	31.4
121.06482	2.5
121.10132	27.3
123.08074	5.3
123.11703	14.5
125.09603	7.4
127.07654	2.6
129.07014	7.3
131.08563	8.6
133.10127	19.8
135.08099	2.3
135.11717	21.2
137.06013	6.3
137.09654	3.9
137.13260	2.7
139.11143	6.5
143.08522	4.3
145.10135	9.4
147.11679	42.3
149.09622	6.6
149.13264	19.5
151.11183	35.0
153.12766	2.3
155.10634	2.2
157.10127	7.0
159.11694	6.7
161.09639	2.1
161.13254	13.5
163.11153	15.0
163.14835	4.4
165.12743	42.0
165.34726	2.0
167.14244	4.4
171.11691	6.2
173.04802	1.8
173.11736	6.2
173.13148	3.7
175.11133	7.0
175.14787	5.0
179.14284	14.9
185.13254	4.2
189.11238	5.0
189.12770	2.7
193.12238	3.6
193.15828	2.8
195.13826	3.2
199.14822	2.4
203.14258	2.2
207.06543	5.3
207.13750	3.1
221.15381	3.9
227.12730	3.6
231.17690	2.8
231.21078	6.0
235.16983	2.4
241.19453	7.1
245.13943	4.2
249.22093	7.8
259.20621	12.9
269.10669	4.7
277.21625	100.0
295.22754	13.1
351.18210	2.9
351.25259	27.2
369.19131	11.6
369.26443	48.2
387.20303	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84256	1.7
53.03934	3.5
55.01878	10.8
55.05513	75.0
56.96555	4.8
57.03176	2.5
57.03437	23.4
57.07061	6.2
65.03939	3.3
67.05505	69.6
69.03396	3.4
69.07065	33.4
71.04993	7.8
71.08634	43.5
71.22958	3.6
79.05495	47.3
81.03403	5.0
81.07057	100.0
81.17776	1.4
83.04990	13.1
83.08616	52.9
85.06537	6.1
85.10182	3.5
91.05480	40.8
93.06464	2.5
93.07045	44.8
95.04974	13.0
95.08604	41.6
97.06536	18.0
97.10159	9.6
99.08092	39.0
103.05482	1.7
103.98334	1.4
105.07033	43.3
107.04971	3.0
107.08599	31.7
107.15913	1.4
109.06526	9.1
109.10144	16.0
111.08080	19.1
113.06042	1.5
113.09613	7.9
117.07023	5.9
119.08576	27.5
121.06487	2.1
121.10146	24.4
123.08080	7.7
123.11720	14.6
125.09630	6.4
128.06287	2.0
129.07001	6.7
131.08533	10.0
133.10144	23.3
135.08051	2.3
135.11700	15.0
137.06015	2.3
137.09583	2.9
137.13246	3.1
139.11172	6.7
141.12726	1.9
143.08542	3.4
145.10130	10.3
147.04440	1.8
147.11688	42.4
149.09630	6.7
149.13278	23.8
151.11182	22.7
153.12743	2.3
157.10109	7.2
159.11690	5.2
161.13249	12.1
163.11209	10.2
163.14745	1.8
165.12772	22.7
167.14297	3.9
170.62563	1.4
171.10452	1.6
171.11627	7.8
173.11778	3.5
173.13217	2.9
175.11180	3.6
175.14836	4.1
177.12811	4.7
179.14307	12.7
180.60854	1.5
181.12204	1.9
185.13283	3.1
189.11208	2.4
189.12732	1.6
189.16461	1.5
193.12254	3.8
195.13843	4.1
199.14801	1.7
207.13741	4.0
217.19548	1.6
221.15311	2.4
227.12840	4.0
231.21219	3.4
241.19585	5.6
245.13867	2.3
249.22017	7.9
259.20615	14.4
269.10678	2.1
269.17532	9.3
277.21628	69.8
295.22711	13.4
330.65021	1.6
337.10797	2.3
345.02725	1.7
351.18460	2.6
351.25391	14.9
354.28058	1.6
363.04111	1.6
369.13535	2.9
369.18970	3.3
369.22406	19.4
369.26428	56.6
370.26752	2.5
387.20621	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63062	1.6
53.03931	4.4
54.31243	1.5
55.01868	6.2
55.05262	2.2
55.05511	37.7
56.96544	1.8
57.03437	9.6
57.07074	4.8
65.03939	2.5
67.05505	100.0
69.03411	4.2
69.07069	17.3
70.45544	4.5
71.04987	3.1
71.08639	14.2
79.05494	49.9
81.03399	3.7
81.07058	64.8
83.04983	10.8
83.08616	16.5
85.06543	4.7
91.05479	29.6
93.07042	58.6
95.04974	9.5
95.08607	33.5
97.06512	6.9
97.10175	20.9
99.08075	10.3
99.49094	1.7
105.07028	25.6
107.04974	2.4
107.08592	53.0
108.08940	2.3
109.06503	4.8
109.10157	52.1
111.08083	6.3
117.06998	6.5
119.08578	16.9
121.10131	23.6
123.08044	3.0
123.11755	9.7
125.09631	21.8
128.06171	1.9
129.07018	2.7
131.08554	8.5
133.10143	15.9
135.08083	4.4
135.11690	32.3
137.09564	2.7
139.11136	1.5
143.08549	3.7
143.10667	1.8
145.10114	6.8
147.11673	12.0
149.13266	14.2
151.11172	7.5
153.09166	2.2
153.12692	1.9
157.10144	2.1
159.11676	6.3
159.12856	1.5
161.13261	9.2
163.14848	4.9
165.12776	1.7
171.11642	4.5
173.11867	3.4
173.13304	5.7
175.11118	2.0
175.14813	6.2
177.12746	2.3
179.14322	32.9
185.13240	4.1
189.11258	21.2
189.12764	2.3
193.12086	1.6
193.15892	2.1
195.13826	2.4
199.14719	2.1
217.19592	2.1
224.91785	1.8
227.12733	8.7
231.21165	3.4
235.16844	3.6
241.19496	7.5
245.13889	7.1
250.97461	1.7
259.20593	19.6
270.41986	1.8
277.21625	57.2
278.22049	2.8
313.11954	5.0
351.25336	38.7
369.19366	2.3
369.26135	5.8
369.30908	2.4
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
53.03941	3.4
55.01856	6.8
55.05258	2.5
55.05510	31.4
55.23239	1.7
56.44082	1.5
57.03435	59.0
57.07065	2.8
65.03914	2.6
67.05503	84.0
69.03423	2.7
69.06722	2.0
69.07069	28.6
71.04997	4.5
71.08627	2.2
71.60501	2.0
79.05490	74.2
81.03399	3.1
81.07053	100.0
83.04971	7.3
83.08617	18.7
85.06535	8.0
91.05478	55.3
93.07043	93.7
95.04964	13.7
95.08605	82.7
95.09235	2.8
97.06528	13.8
97.10173	12.9
99.08081	9.9
103.05453	2.3
105.07029	51.5
107.04987	2.5
107.08592	78.3
109.06519	12.0
109.10159	43.5
111.08061	7.1
113.09611	3.3
117.07006	16.6
119.08571	46.3
121.10137	62.6
123.08063	15.5
123.11716	12.0
125.09618	8.0
127.07503	2.5
128.06206	2.4
129.06978	6.1
131.07053	12.3
131.08556	31.7
133.10130	39.5
134.62907	2.1
135.08052	3.9
135.11690	48.5
137.09587	11.0
139.11139	3.7
143.08554	7.9
145.10117	30.5
147.11674	33.2
149.09616	4.2
149.13257	20.9
151.11174	6.7
157.10103	6.5
159.11687	22.7
161.09608	1.9
161.13263	20.1
163.11125	4.9
163.14839	5.3
165.12737	7.1
167.10632	2.7
171.11644	10.1
172.81308	1.7
173.11801	4.1
173.13248	11.0
175.14854	10.7
177.12807	3.8
177.16286	2.6
179.14314	3.6
185.13298	9.4
185.14636	1.8
187.14807	44.6
189.11189	6.6
189.12711	2.8
199.14828	4.6
201.16354	4.8
203.14250	2.2
203.17873	9.2
204.01700	2.4
205.15894	21.7
207.06548	3.4
213.16446	4.0
217.19539	2.0
219.17424	4.1
221.15439	3.3
221.19035	14.4
227.12885	2.7
229.81540	2.3
231.17288	2.6
231.21048	4.0
241.19531	18.5
259.20578	47.2
277.21609	83.3
278.22046	2.3
295.22626	5.9
322.06384	1.9
333.24231	2.2
351.25281	64.8
369.19592	2.6
369.26459	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.4
55.01874	9.6
55.05513	46.7
56.96557	9.4
57.03431	16.9
57.07071	8.2
59.24696	2.9
67.05502	100.0
69.03422	3.9
69.07060	38.1
71.04980	6.5
71.08633	38.3
71.59756	2.8
79.05490	63.1
81.03424	16.5
81.07052	88.8
83.04977	9.8
83.08616	23.0
85.06550	5.9
91.05475	44.2
93.07049	72.1
95.04974	28.1
95.08599	49.3
97.06531	12.0
97.10170	22.3
99.08083	30.7
103.05454	2.6
105.07022	36.1
107.04958	5.8
107.08592	47.9
109.06529	10.1
109.10166	38.7
111.08055	4.9
113.09621	3.8
113.73682	2.9
117.07000	10.3
119.08568	20.8
121.06557	4.9
121.10152	21.9
121.61622	2.5
123.08106	7.2
123.11716	6.6
125.09630	17.2
129.07013	6.2
131.08582	11.6
133.06529	3.6
133.10132	20.5
135.08049	8.0
135.11693	30.6
137.09528	4.5
137.13301	3.0
139.11125	3.8
140.98471	3.7
143.08574	7.2
145.10112	15.7
147.11693	17.9
149.09663	5.4
149.13249	18.2
151.11168	58.2
153.12733	3.5
157.10168	4.3
159.11667	10.7
161.01053	3.3
161.09654	4.8
161.13281	20.0
163.11179	13.2
163.14799	5.2
165.12781	8.7
171.11717	6.7
173.11740	14.6
173.13310	7.3
175.14809	5.8
177.12762	5.2
179.14340	15.1
183.03119	3.2
185.13304	8.2
187.14832	3.4
189.11263	21.9
189.12764	4.4
191.00133	6.4
195.13841	4.2
207.13908	4.4
221.15338	4.9
227.12775	10.9
231.08878	4.1
232.96407	3.9
241.19571	10.6
245.13847	11.6
253.18173	7.2
259.20529	18.5
269.10553	4.4
269.17465	13.0
277.21609	99.0
278.22153	5.4
309.17230	5.7
327.17920	3.2
351.18384	10.8
351.25201	42.3
369.15668	4.5
369.19684	3.9
369.26721	14.9
387.20703	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03939	3.9
55.01868	4.2
55.05510	29.2
56.91224	1.7
56.96562	2.8
57.03218	1.4
57.03437	14.6
57.07064	5.3
59.05001	4.1
65.03925	4.9
67.05502	100.0
69.03447	3.1
69.07062	28.4
71.04988	6.9
71.33614	1.7
71.60512	2.9
72.98464	1.6
79.05052	3.5
79.05490	40.2
81.07054	66.7
83.04975	7.4
83.08614	13.0
85.06544	5.8
91.05475	28.0
93.07040	52.4
93.12300	2.1
95.04971	9.3
95.08604	51.8
97.06528	10.5
97.10165	7.9
99.08094	2.5
105.07033	21.8
107.04935	1.9
107.08586	32.8
109.06514	5.5
109.10157	33.8
111.08128	2.1
112.99397	1.7
115.05510	2.3
117.07028	5.8
119.08580	17.8
121.06535	2.2
121.10139	24.8
123.08068	5.8
123.11699	6.3
125.09630	2.8
126.79212	1.8
129.07008	3.9
130.93304	1.8
131.08568	14.3
133.10143	17.2
135.08046	3.8
135.11726	11.9
137.09624	3.1
139.11177	8.6
142.07803	3.1
143.08568	5.2
145.10123	9.1
147.08008	2.7
147.11670	11.4
149.09637	6.8
149.13252	5.1
151.07552	3.8
151.11217	2.3
155.10617	1.9
156.09351	2.6
157.10153	6.4
159.11737	7.8
161.09570	4.5
161.13284	7.2
165.12720	1.8
169.10115	1.7
171.11711	5.0
173.11729	10.1
173.13181	3.8
175.11256	1.9
175.14810	3.6
179.14207	2.2
181.10110	3.0
185.13287	4.4
189.11215	2.2
189.12724	3.6
191.68301	2.1
195.11713	2.2
197.13202	2.3
199.14821	2.0
203.12723	4.4
207.13730	3.3
209.13275	2.9
209.15353	1.9
231.20863	2.6
241.19606	2.3
259.20566	9.0
277.21655	18.1
351.25192	6.4
369.26172	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2423
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.69273	7.6
53.61563	7.4
55.01854	8.1
55.05496	17.8
56.96545	23.4
57.07069	14.2
59.57584	8.0
67.05492	37.6
69.07043	26.9
70.46432	33.5
71.04985	16.1
71.69378	8.3
72.06227	8.0
74.03888	6.9
79.05493	26.1
80.41758	8.7
81.03402	9.4
81.07046	44.8
83.04985	9.5
83.08608	11.2
85.06527	22.4
85.59277	7.6
91.05469	48.5
92.83140	8.3
93.07043	40.7
95.04969	89.7
95.08626	40.0
97.06509	16.5
98.21376	9.7
99.08112	7.4
103.24687	10.0
105.07022	50.9
107.08587	48.4
109.06509	32.7
109.10135	36.6
115.05387	8.8
117.07011	18.7
119.08589	54.6
121.10113	22.3
123.08066	15.2
125.69210	8.6
128.06247	11.8
131.08565	35.5
133.10130	35.9
135.08035	35.8
135.11717	8.9
137.09590	21.7
142.07761	15.8
143.08562	28.7
145.10110	35.6
147.08043	18.0
147.11646	18.9
149.09622	30.7
155.08525	11.4
156.09375	15.3
157.10123	32.3
159.08009	10.4
159.11687	30.6
161.09595	41.2
161.13258	11.8
167.08650	9.0
169.10088	16.4
171.11684	21.5
173.09593	16.3
173.13234	9.6
175.11168	12.5
175.14835	9.7
183.11705	23.4
185.13309	20.0
189.12759	12.1
193.10110	10.0
195.11710	10.2
199.11261	12.3
203.14346	14.8
207.11690	16.4
207.13637	10.7
209.13281	16.6
211.11189	9.8
211.14764	9.6
213.12720	13.5
215.14166	11.3
221.13217	9.6
223.14839	10.1
227.14200	12.0
232.96283	8.9
237.09161	10.7
251.18182	10.7
265.08588	9.3
269.18903	11.3
279.10156	8.7
293.07843	11.7
293.18942	19.2
309.11221	14.7
309.22076	20.1
311.20154	12.1
333.22183	11.1
337.10687	100.0
338.11148	16.9
351.22977	43.9
369.13229	37.3
369.24231	72.9
369.69461	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	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05505	20.1
55.45956	7.7
56.96561	14.2
57.07069	22.0
65.86900	7.2
67.05509	41.4
69.03435	13.4
69.07067	13.8
71.04987	18.1
71.60681	9.4
79.05489	22.5
81.07053	49.1
83.04971	17.5
83.08614	11.3
85.06534	19.1
85.10160	13.4
91.05501	39.6
93.07037	29.6
95.04984	53.9
95.08603	38.7
97.06503	19.1
105.07037	68.2
107.08601	39.2
109.06506	35.4
109.10153	35.8
113.09658	13.2
115.05490	8.0
116.98512	9.0
117.07050	18.3
117.58897	9.8
119.08574	51.4
121.06546	10.6
121.10160	27.0
123.08075	24.1
125.09613	10.0
129.07011	9.9
130.07741	8.1
131.08560	48.7
133.10117	36.3
135.08066	23.0
137.05998	18.8
137.09589	20.4
143.08528	42.2
145.10141	51.6
147.08093	16.1
147.11659	25.8
149.09618	14.4
151.07542	9.9
155.08528	11.0
156.09341	10.9
157.10132	37.7
159.08072	17.8
159.11700	27.3
161.01147	9.4
161.09650	22.5
162.41719	9.7
163.11258	12.1
165.12805	9.2
169.10118	11.8
171.11679	25.8
173.09563	19.7
173.13255	16.8
175.11168	28.7
183.11691	32.7
185.13333	14.8
187.11250	11.9
189.12689	16.2
193.10327	13.6
195.11745	19.9
195.13634	8.0
197.13264	19.8
201.12775	14.7
203.14333	7.6
207.11716	15.0
207.13686	15.0
209.13338	23.5
211.11121	12.1
211.14806	9.3
213.12671	16.1
213.16417	9.4
215.14207	13.6
223.14868	16.3
229.07443	16.9
235.14824	10.7
247.08629	10.5
253.15823	12.5
269.18872	9.4
275.17767	9.5
277.21552	13.8
286.19275	20.3
289.18222	8.7
293.19055	10.2
333.22040	14.5
351.23242	26.2
369.24121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
54.57460	6.3
55.05510	20.3
56.32231	5.9
57.03469	5.6
57.07061	13.7
59.04998	5.8
67.05508	46.0
69.03427	8.1
69.07060	24.1
71.30592	12.1
79.05492	36.8
81.07041	41.9
83.04995	7.4
83.08616	14.2
85.06561	8.7
91.05485	48.0
93.07041	55.7
95.04991	34.9
95.08605	82.2
96.29701	5.7
97.06532	14.4
99.04475	7.0
105.07015	70.8
107.08610	58.0
109.06496	14.7
109.10153	39.4
111.08070	37.9
115.05473	6.4
117.07029	24.7
119.08571	100.0
121.06540	8.0
121.10150	43.8
123.08063	17.8
123.11712	17.1
128.06215	9.6
129.06985	20.0
131.08566	49.8
133.10127	65.0
135.08064	15.6
135.11684	30.4
137.05969	82.4
137.09627	12.9
141.07010	10.6
142.07770	9.3
143.08554	44.4
144.09315	9.4
145.10133	76.2
146.67697	5.8
147.08058	24.2
147.11694	26.0
149.09671	23.2
155.08516	12.5
156.09329	11.4
157.10159	52.2
158.10854	12.5
159.08095	17.1
159.11707	49.7
161.09630	12.3
161.13292	16.2
163.07585	7.0
163.11229	7.5
165.09128	6.4
167.08653	9.5
168.09323	9.8
169.10146	18.4
171.11649	35.2
173.13264	24.0
175.14813	57.0
177.09114	13.4
179.08615	9.1
181.10135	15.3
182.10846	11.5
183.11653	31.6
185.09581	7.1
185.13246	23.3
187.11279	8.1
187.14767	35.3
189.08981	7.4
193.10277	8.9
194.11043	8.0
195.11684	17.9
196.12511	16.0
197.13300	23.9
198.14113	10.2
199.11310	5.8
199.14917	14.8
201.12756	9.1
205.15886	11.2
207.11707	9.0
209.13283	31.8
211.11237	18.3
211.14833	20.5
221.13263	13.5
225.16283	12.6
229.12268	14.9
235.14664	13.8
243.17365	7.3
257.15302	8.7
265.19608	7.5
270.19742	8.6
271.16983	8.5
277.15997	7.0
283.20535	7.2
295.17093	9.4
333.22040	7.1
351.23257	19.6
369.24313	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	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34580	0.5
55.01863	6.2
55.05513	5.1
55.50156	0.5
56.29298	0.6
56.96552	1.2
57.02560	0.4
57.03428	2.7
57.07062	1.2
67.05505	6.4
69.03419	0.6
69.07074	4.1
70.96062	1.3
71.04985	0.5
72.86356	0.4
74.60625	0.5
79.05488	6.3
81.07056	27.2
83.04983	2.5
83.08612	2.0
91.05478	3.5
92.58218	0.6
93.07049	6.1
95.08602	7.2
97.06535	1.6
105.07023	5.3
107.08589	4.9
109.06512	10.6
109.10137	3.8
111.04439	17.6
111.08054	1.1
117.07006	0.6
119.08551	4.7
121.06507	1.2
121.10141	5.0
123.08064	2.1
123.11713	2.7
125.05978	5.9
128.06219	0.5
129.06949	0.5
131.08563	3.1
133.10083	4.4
135.08060	2.3
135.11662	3.7
137.05975	100.0
137.13245	1.8
138.06313	2.2
139.07567	0.9
142.07712	0.7
143.08543	2.0
145.10106	2.2
147.08069	1.6
147.11696	5.5
149.09601	3.8
149.13263	1.9
151.07558	3.3
151.11174	1.2
157.10164	1.5
159.11710	1.5
161.09598	6.6
161.13275	2.1
163.11183	3.0
163.14836	0.8
163.42651	0.5
165.09111	2.5
165.12753	1.0
167.10628	0.9
171.11705	1.3
172.09590	0.5
173.13373	0.6
175.11166	4.2
175.14926	0.9
177.09055	0.7
177.12740	0.7
179.10706	2.5
181.12222	0.6
185.13274	0.7
187.17622	0.5
189.12776	1.7
193.12242	1.4
203.14354	0.6
203.17915	6.2
213.16400	3.0
221.18987	1.6
223.14815	0.9
231.17415	9.4
241.15961	2.0
249.18491	12.9
277.17984	53.4
278.18326	2.4
295.19025	18.0
295.22299	0.7
296.19260	0.9
351.21674	7.3
369.22647	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	369.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
56.96567	46.4
67.05482	2.2
71.59086	1.1
71.59538	1.4
71.95255	5.1
72.96030	2.5
79.05505	1.4
83.08577	4.0
84.68247	1.1
84.96008	1.1
110.97568	4.4
121.28880	1.1
123.01152	2.2
128.98578	3.5
137.02742	1.7
141.45538	1.2
145.01665	2.2
146.99646	3.8
155.03810	1.9
171.03224	2.2
173.04852	2.1
185.04800	1.9
187.02711	1.5
187.06444	2.1
189.04262	1.7
189.07950	1.8
199.06372	3.2
203.05875	3.7
207.06976	2.3
208.24455	1.2
211.06444	1.9
213.07965	14.3
215.05775	1.8
217.07433	7.3
223.10214	1.6
225.08037	6.1
229.07387	5.6
231.06763	1.2
231.09045	24.0
237.07999	3.2
239.09644	5.9
241.11148	10.8
243.08965	8.4
247.08490	3.1
251.09540	7.4
255.08983	6.0
257.10663	6.6
259.09695	1.8
259.12183	17.8
269.07742	2.8
269.10611	54.5
271.12152	1.6
273.10077	1.9
287.08621	2.1
287.11664	35.6
292.12119	2.6
309.17377	1.3
333.17371	20.9
351.18445	51.5
352.18106	1.5
369.19415	91.4
370.19705	2.7
374.20087	2.6
387.20526	100.0
388.20670	4.3
392.21335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05400	5.6
55.05707	2.2
56.96177	2.0
56.96455	38.8
56.96951	1.8
57.23521	0.4
67.05405	1.0
67.05709	0.5
69.06989	0.6
69.87275	2.9
71.08526	0.7
71.95135	4.1
71.95568	0.7
72.95914	1.9
74.97489	1.4
79.05389	0.8
81.06933	1.6
83.08485	4.4
84.95932	1.1
92.98525	0.7
93.06927	0.8
95.08511	0.8
97.96732	0.7
98.21469	0.6
99.07983	0.5
105.00065	0.7
105.06895	1.3
107.08495	0.6
110.97449	1.5
115.00609	0.6
116.98478	0.9
119.08458	1.0
121.10056	0.9
123.01025	1.7
128.98602	4.4
133.01535	1.5
134.99533	0.7
137.02724	2.4
137.09415	0.6
141.02083	1.9
143.00009	0.5
145.01581	1.2
145.10017	0.6
146.33023	0.5
146.99646	5.7
147.03177	0.8
149.01102	0.7
149.09505	0.6
151.00526	0.6
153.02031	0.6
155.03801	3.8
157.01549	1.7
157.63887	0.5
159.03316	2.2
161.01065	1.0
161.04739	0.6
163.02521	0.5
165.00552	1.6
167.03659	1.1
169.01575	1.1
169.05200	1.4
171.03281	2.5
171.51288	0.5
173.04906	2.7
175.02684	1.0
177.04297	1.1
177.05624	0.6
179.02153	0.6
181.05276	0.9
183.03198	1.4
183.06807	0.9
185.04834	2.5
187.02640	1.4
187.06329	1.3
189.04303	2.7
189.07872	1.9
191.05806	1.4
193.05278	0.6
195.06779	1.9
197.04671	1.0
197.08337	1.0
199.06422	5.8
201.04169	0.9
201.07867	0.9
203.05884	4.4
205.07356	1.3
207.06975	0.6
207.08867	1.7
211.06305	2.1
211.09937	0.7
213.07970	14.8
215.05882	0.9
215.09390	0.9
217.07460	9.3
218.04524	0.5
219.06841	0.9
219.08853	1.1
221.08551	1.0
223.02585	0.5
223.06354	0.8
223.09976	2.1
225.07918	7.8
225.11363	0.9
227.05908	0.6
227.09448	1.4
229.05545	0.5
229.07478	7.1
231.09029	29.5
232.09396	0.7
233.10474	0.7
235.06184	0.7
236.09486	1.0
237.07950	3.2
239.09525	6.0
241.11104	11.6
243.09036	7.9
245.10509	0.8
247.08524	6.4
249.10011	0.7
251.09529	8.6
253.10970	1.9
254.10716	1.1
255.09050	6.2
257.10629	7.2
258.07419	0.6
259.12167	20.6
261.10074	0.9
263.09711	0.5
264.12650	1.0
265.10883	0.6
267.08978	1.0
269.10596	56.1
270.10815	2.0
271.12070	1.6
273.10117	3.9
278.10519	0.6
281.10590	0.7
282.13654	1.7
285.09973	0.7
287.11642	34.0
288.12018	1.1
292.12177	4.5
295.12143	0.7
298.10736	0.5
309.17422	1.7
310.13098	1.8
315.16306	1.5
323.18967	1.2
333.17325	22.2
333.21317	1.1
334.17563	0.6
339.18460	1.2
351.18414	49.5
352.18692	1.5
356.18954	0.8
368.28555	0.5
369.19467	96.2
370.19870	4.3
374.19937	4.2
387.20523	100.0
388.20798	3.7
392.21005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13146	1.5
50.62901	1.6
53.03936	4.6
55.01860	6.0
55.05492	4.1
56.96552	2.9
57.03427	8.7
59.04999	13.6
61.02920	9.9
62.30235	1.8
67.05491	8.4
67.83614	1.8
68.49496	1.8
69.03068	3.3
69.03426	47.5
69.07052	3.9
69.86300	9.4
70.06599	8.7
71.04964	6.5
72.08128	3.7
72.45957	1.8
73.02908	4.2
79.05492	6.3
81.03418	14.0
81.07067	9.4
83.04964	8.3
83.08633	1.7
85.02902	57.2
85.06549	3.5
86.09710	12.6
87.00811	2.0
87.04467	3.1
91.05476	28.9
93.07048	9.8
95.04963	15.1
95.08591	11.0
96.28091	1.7
97.02891	28.7
97.06483	3.7
98.97581	3.6
99.04436	6.4
101.02367	3.9
103.03943	2.6
105.07032	25.0
107.04990	4.6
107.08591	26.2
109.02871	10.4
109.06512	61.8
109.10147	5.0
111.04433	2.3
111.08069	5.2
115.03925	2.3
115.05434	2.5
116.98588	5.1
117.07014	5.7
119.04903	2.4
119.08575	31.1
121.06485	7.1
121.10133	17.6
123.04456	1.8
123.08060	65.8
123.11668	4.4
125.05949	2.8
125.09595	2.8
127.03908	22.1
128.06108	2.1
129.06982	7.3
131.08565	43.4
133.06477	7.7
133.10133	12.7
135.08047	5.1
135.11664	3.2
137.05986	7.8
137.09599	7.5
141.06940	2.6
143.08549	6.4
145.04962	11.4
145.10133	11.0
147.08043	41.7
147.11703	21.2
149.05980	8.1
149.09610	39.2
151.07539	97.9
151.11172	2.9
152.07010	2.4
156.09329	13.7
157.10159	3.2
159.07996	5.9
159.11644	3.5
161.09612	6.8
161.12099	1.9
161.13197	10.8
163.11195	16.4
165.05444	6.9
165.09091	3.0
165.12753	10.8
167.07016	2.8
171.11687	24.2
174.10391	3.1
175.11102	2.0
177.12715	2.7
185.13255	2.6
187.11180	2.1
189.12738	97.6
190.13036	4.6
191.14301	4.5
193.08571	2.0
201.12532	2.0
205.12302	4.6
207.13799	100.0
208.14127	2.9
225.07898	4.2
231.13835	5.7
236.08058	2.8
237.02945	2.4
243.09135	3.0
249.08934	2.1
255.13829	2.8
273.14957	2.9
279.10107	2.8
291.15369	1.8
303.15948	3.3
313.12552	2.7
315.16058	2.8
333.17084	4.1
351.18033	8.1
369.14227	6.1
369.19046	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20153	1.4
55.01863	2.6
55.05506	4.8
56.96535	1.4
57.03440	3.4
59.04992	2.5
61.02935	4.0
67.05508	4.4
69.03434	18.0
69.07072	4.5
70.06597	1.9
71.04995	2.5
71.60365	2.2
73.02914	2.3
79.05492	3.7
81.03407	8.7
81.07067	5.4
83.04981	11.2
85.02419	2.4
85.02908	29.3
85.06534	2.0
86.09693	2.5
87.04462	2.2
91.05489	9.6
93.07052	6.1
95.04968	6.3
95.08628	7.3
97.02881	11.9
97.06522	2.4
98.59104	1.3
98.97567	1.4
99.04459	1.7
101.02427	2.3
103.03938	2.2
105.07039	20.1
105.75930	1.3
107.04939	2.6
107.08599	12.4
109.02894	6.7
109.06540	7.4
109.10161	5.5
111.04420	3.3
117.06984	1.6
119.04980	3.1
119.08590	17.4
121.06517	5.2
121.10137	11.1
123.08094	4.5
127.03925	6.9
128.06216	1.4
129.07007	2.9
129.46118	1.3
131.08598	4.7
133.06482	3.0
133.10130	21.1
135.08087	5.5
137.05937	1.6
137.09607	10.3
143.08571	5.3
145.02850	2.6
145.04944	2.9
145.06543	1.5
145.10107	7.4
146.07303	1.7
147.08014	6.9
147.11691	8.9
149.05972	2.2
149.09625	22.8
149.13240	1.8
151.07593	2.2
151.11183	44.6
151.12344	2.8
156.09343	7.5
159.08060	14.4
159.11792	1.5
160.08810	4.2
161.09650	9.0
161.13271	12.3
163.11197	24.1
163.14853	1.6
171.11713	10.1
173.09644	2.9
173.13271	3.7
174.10405	37.2
177.05521	4.2
179.04494	1.5
179.10701	3.8
187.11163	3.1
189.12747	100.0
190.13107	2.1
191.14307	33.3
201.12642	1.6
205.12175	2.1
207.06506	2.4
207.13800	55.4
207.15732	3.1
351.17819	2.7
369.14740	4.8
369.19135	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01865	1.7
55.05502	0.9
56.96548	0.9
57.03430	2.8
59.04985	1.4
61.02924	5.2
67.05501	1.8
67.49773	0.5
69.03428	26.3
69.68300	1.0
69.68718	2.3
70.06585	0.7
71.04986	1.4
72.19196	0.5
73.02919	2.6
79.05487	1.7
81.03410	5.9
81.07045	2.4
83.01340	0.7
83.04971	1.5
83.08599	0.6
85.02905	28.3
85.06536	0.6
86.09719	0.8
87.04458	2.5
91.03960	2.4
91.05476	8.1
93.07037	2.1
95.04961	4.2
95.08592	3.4
97.02891	11.9
98.97532	0.5
99.04483	2.3
103.05444	0.6
105.07032	5.2
107.04999	0.5
107.08598	2.8
109.02895	4.2
109.06514	23.6
109.10119	0.8
111.08059	1.0
116.06230	1.1
117.07008	1.5
119.08583	11.0
121.06545	0.5
121.10120	2.3
123.04433	0.7
123.08057	8.3
127.03918	6.1
129.07021	2.6
130.07684	0.6
131.07567	1.0
131.08565	19.2
133.06480	5.6
133.10110	1.8
134.99716	0.6
135.08025	2.1
135.11623	0.7
137.05951	0.8
141.06940	0.6
143.08557	1.8
145.04965	4.2
145.06470	0.7
145.10130	2.8
147.08040	18.0
147.11691	2.3
149.09613	2.7
151.07539	100.0
152.07880	2.1
155.08513	0.6
156.09331	2.5
157.10165	0.7
159.08063	1.2
159.11681	1.1
161.09608	2.7
161.13310	1.3
163.11179	9.4
165.12743	2.4
167.07118	0.6
171.11664	8.3
172.30939	0.5
173.13115	0.7
185.13425	0.5
189.12744	37.3
190.13188	0.9
191.14355	0.5
203.14288	0.9
207.06540	0.6
207.13797	35.4
208.14070	0.8
231.13751	1.0
337.10672	0.9
369.14996	1.0
369.19177	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01853	9.7
55.05500	9.3
55.06411	2.4
56.96549	6.7
57.70662	2.3
58.99588	13.8
59.04984	4.6
61.00830	3.7
61.01148	74.5
65.03934	2.3
67.05492	13.8
69.03401	2.4
69.07055	6.5
71.12458	5.6
73.02914	13.9
75.26083	2.5
75.63250	2.2
77.00641	3.1
79.05486	19.8
81.03394	3.8
81.07053	52.6
83.04950	5.5
83.08604	4.8
85.02910	3.7
86.99053	11.5
89.00613	100.0
91.05476	74.9
93.07047	28.3
95.04960	9.3
95.08600	15.0
97.02914	2.7
97.06535	5.3
98.97565	3.3
100.11242	4.9
103.05461	2.7
105.00062	8.6
105.07023	63.2
107.04952	10.3
107.08579	10.7
109.02848	2.5
109.06502	6.8
109.10119	3.1
115.05467	11.3
115.06152	2.3
117.07021	58.7
119.04926	6.5
119.08573	28.9
121.06495	5.7
121.10106	4.0
128.06201	12.9
129.06995	49.1
130.07744	3.1
131.04927	4.4
131.08562	77.2
132.99550	5.4
133.06479	8.8
133.10124	12.1
135.01120	2.9
141.06956	36.9
142.07773	43.8
143.08565	31.9
145.06483	7.8
145.10120	65.0
145.11276	4.2
147.08057	5.9
147.11673	45.9
149.05904	3.1
149.09625	3.4
149.13200	3.5
151.14818	2.5
153.07011	12.8
154.07758	7.5
155.08543	49.7
156.09291	4.0
157.10121	79.4
159.08078	16.2
159.11702	23.6
165.07002	3.5
166.75967	2.5
167.07077	5.6
167.08466	5.4
168.09346	26.8
169.10095	13.2
171.08018	3.9
171.11673	21.5
173.09584	10.8
173.13255	52.7
175.11174	55.0
175.12529	4.3
177.12672	4.7
178.07799	7.2
181.10114	8.7
182.15527	3.4
183.11682	80.9
185.13258	10.0
186.05002	2.7
187.11203	11.8
189.09074	2.4
189.12767	7.3
190.07854	3.4
191.07056	4.2
193.10136	8.3
196.08893	3.1
199.11183	9.0
201.12733	87.8
202.07785	4.3
207.11852	2.5
207.13860	2.9
211.11179	21.2
215.08873	3.5
217.12187	11.5
219.08028	4.0
219.13760	7.7
222.02675	2.6
229.12254	46.2
231.08130	3.3
231.12251	3.2
234.06763	3.7
247.07530	3.6
247.13300	13.2
250.06224	2.8
259.07458	4.4
259.11725	7.3
261.05447	3.6
261.09338	9.5
265.08786	3.1
269.10300	3.5
276.07675	5.8
277.08661	5.2
279.10529	7.2
284.53329	2.5
287.06906	4.9
287.11084	6.9
290.09244	3.5
291.10172	8.9
294.08826	2.5
305.08014	11.0
305.12088	12.4
307.09729	2.8
309.11005	3.1
319.09586	7.3
323.13120	20.8
333.11465	4.6
337.10550	13.9
351.12469	15.8
351.18225	4.0
369.13611	92.6
369.18323	6.0
387.20673	5.3
388.83749	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.45626	0.9
55.01857	2.6
55.05262	1.5
55.05511	21.1
56.05022	1.6
56.96571	7.8
57.03428	3.4
57.07069	1.1
58.06609	5.4
60.04526	21.4
67.05505	18.1
68.05032	1.3
69.03417	3.2
69.07066	13.9
70.06593	1.7
71.04992	9.7
71.33771	2.2
71.95246	1.4
72.04520	1.3
72.08175	1.1
76.77347	1.0
76.91994	1.0
79.05486	15.8
80.05017	1.8
81.03406	3.8
81.07056	15.8
83.04972	3.3
83.08620	11.1
84.08130	7.0
85.06524	3.5
85.13748	1.0
86.09705	28.9
87.35099	0.9
88.07621	4.1
88.73965	1.0
90.43965	0.8
91.05492	8.6
93.05801	1.2
93.07049	13.9
94.06557	2.8
95.04970	9.2
95.08597	9.6
96.08109	3.7
97.06538	2.2
97.10172	18.9
98.09653	1.1
100.07583	2.2
103.71214	1.0
105.07008	9.1
106.06518	1.2
107.04945	3.4
107.08605	8.8
108.08056	2.4
109.06551	5.5
109.10154	4.7
110.06034	2.2
111.08032	2.2
112.07602	23.5
113.05982	2.7
114.09196	1.7
117.07030	3.3
119.08580	5.1
121.06498	1.8
121.10158	8.2
122.09705	7.6
123.08060	3.9
124.07556	1.9
125.09637	12.4
126.09113	1.5
128.10713	29.1
128.98705	1.2
129.06990	1.3
130.08630	2.4
131.08545	5.0
132.08051	1.5
133.10150	2.8
134.09598	1.7
135.08067	3.4
135.11707	3.0
136.11218	3.2
137.09616	2.4
138.12758	3.2
143.08548	1.6
145.10095	3.2
146.99692	1.3
148.11172	1.6
149.13319	1.5
154.08646	9.6
154.12222	5.3
157.10190	1.0
159.11661	2.2
161.09590	1.0
162.12772	1.4
165.12787	1.1
172.09669	11.5
172.13312	2.2
180.13829	17.8
187.11099	1.4
189.11223	11.5
195.13831	1.2
196.13368	3.0
198.14929	3.2
207.06613	1.4
214.14255	1.2
217.15828	1.3
221.15398	1.9
223.13292	3.3
272.20169	1.7
273.18549	5.3
279.12619	2.5
280.12988	7.5
289.09094	1.2
290.21136	10.6
291.19516	7.1
297.13654	2.1
298.14017	9.4
308.22147	13.6
309.17444	2.7
327.18408	4.0
332.16138	1.8
332.22183	2.8
345.19504	2.4
350.16849	5.5
350.23288	17.4
351.18097	1.3
368.18707	4.4
368.24326	100.0
369.24844	4.9
386.19324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01863	6.5
55.05504	3.2
56.23033	2.1
56.96577	2.3
57.03426	5.3
61.02916	6.6
61.44405	2.0
67.05502	2.3
68.99766	3.4
69.03432	31.5
71.04996	3.8
71.60322	3.5
73.02892	7.4
79.05462	2.4
81.03423	20.5
81.07056	4.5
85.02905	100.0
87.00830	44.1
91.05476	3.2
93.31363	2.3
95.08605	3.1
95.98061	2.0
97.02892	24.7
99.04484	10.8
100.11260	2.9
102.15983	2.0
104.10553	2.4
105.01863	60.6
109.02879	27.6
117.01892	2.5
121.78676	2.2
127.03910	66.4
129.01874	4.0
145.04953	26.0
159.02892	10.2
182.15445	2.5
189.03949	2.5
209.34036	2.2
231.05026	14.8
309.11319	2.5
368.21005	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	368.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
53.40767	2.4
55.01852	8.1
55.03892	2.0
55.93525	2.7
57.03417	6.5
60.03756	2.1
61.02911	9.2
68.34884	2.0
68.99773	5.3
69.03425	33.9
69.71471	13.9
71.04983	7.2
71.13554	2.3
72.93776	3.2
73.02923	13.4
81.02972	3.1
81.03410	31.2
85.02901	96.4
85.06541	17.6
87.00826	37.0
87.04447	2.4
90.94843	2.5
91.03944	2.5
97.02885	74.2
98.97569	3.4
99.04443	20.4
103.07569	2.5
105.01863	57.1
107.04942	4.8
109.02879	28.3
115.03871	2.3
116.98595	2.6
117.01878	4.7
127.03912	100.0
129.01820	6.4
132.95805	1.9
136.45522	2.4
145.04945	72.2
147.02823	2.2
150.96867	2.1
159.02895	25.6
176.98422	2.5
193.08636	4.3
211.09550	2.7
213.03865	2.9
231.05000	23.4
234.98988	4.5
249.06105	4.5
315.10822	3.9
321.00256	2.4
321.60953	2.4
369.02737	4.2
369.11450	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	368.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97126	3.7
56.96556	14.2
65.28831	3.5
66.91952	4.1
68.17664	3.4
69.03421	5.3
70.06581	10.6
71.45416	6.9
72.08131	5.7
84.04507	7.1
84.08127	9.2
85.02887	8.4
86.09209	7.3
86.09702	100.0
87.76527	4.4
97.02863	5.9
98.97586	10.2
110.07168	31.2
110.10355	4.4
110.45778	3.8
113.03459	4.3
115.73021	4.0
116.07043	4.0
116.83485	4.4
116.98580	6.5
120.08044	10.7
132.10185	49.1
134.99635	11.7
136.07559	4.4
146.99640	7.3
148.99539	5.1
152.05679	16.0
156.04022	16.5
156.05179	4.5
156.07727	27.9
163.03917	8.5
165.00655	4.0
177.00719	6.1
188.06667	6.3
189.00716	4.8
190.98697	4.7
193.08386	6.2
219.09901	4.3
224.98972	5.1
226.02481	7.7
254.05643	8.3
255.87521	4.2
368.10535	11.7
368.22556	4.6
369.10400	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	368.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65581	0.4
56.44287	0.4
56.96568	2.5
59.66924	0.5
71.59800	0.7
81.06993	0.5
86.09666	0.4
88.86848	0.4
91.05466	0.6
93.07031	0.6
100.57918	0.5
110.38865	0.4
124.32432	0.5
139.00713	0.4
139.05429	1.0
157.01721	0.6
157.06461	2.2
170.84192	0.4
176.98563	0.6
185.05969	1.8
192.97887	0.6
194.99660	1.2
201.00693	0.6
206.99516	0.6
215.00075	1.0
225.00652	0.5
233.01097	1.1
235.02721	2.2
241.01567	0.5
253.03786	0.9
255.01846	3.0
259.02795	1.7
273.02789	1.0
277.03894	1.8
295.04782	0.5
301.03751	0.7
303.01813	0.6
309.00604	6.5
317.03360	2.2
326.98059	1.7
327.01764	9.4
327.52512	0.5
335.04419	0.8
344.99146	7.9
345.02811	100.0
346.03320	1.0
350.03421	1.7
363.00003	37.1
363.03931	41.4
364.00168	2.3
368.00705	1.3
368.04565	8.7
368.21191	1.7
386.01474	2.9
386.05737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.2
55.05499	21.3
55.58514	5.2
57.03433	10.9
63.68993	4.7
64.23852	4.7
67.05497	45.0
69.07061	24.4
71.60973	10.4
77.71532	5.2
79.05497	29.7
81.07053	83.2
82.32033	4.5
83.04953	6.7
83.08626	27.7
85.06544	7.4
86.61714	4.9
90.37593	6.4
91.05486	25.6
93.07024	45.8
95.04967	7.1
95.08598	66.9
95.60934	6.0
97.10148	5.2
98.59770	4.9
98.97660	5.0
105.07030	42.4
107.08588	42.7
109.06535	5.9
109.10143	33.0
111.08070	28.1
113.09657	11.9
117.07030	7.9
119.08556	42.7
121.10154	39.8
123.11729	9.2
131.08594	32.2
133.10129	38.3
135.11688	34.7
143.08548	16.1
145.10126	36.1
147.11667	45.4
149.13249	28.3
157.10179	16.0
159.11699	40.1
161.13254	53.0
163.14919	7.3
171.11679	13.0
173.13249	21.6
175.14822	24.4
177.16394	6.5
183.11714	10.7
185.13300	20.1
187.14787	21.0
189.16380	17.4
197.13258	9.2
199.14859	12.9
201.16548	13.6
202.16901	4.9
213.16389	21.0
215.17984	15.8
217.19582	6.3
225.16402	10.4
227.17944	8.7
229.19458	9.8
239.18039	12.8
241.19571	6.3
253.19643	12.6
267.20993	7.6
278.14517	7.9
279.21152	7.9
284.48718	5.4
297.25760	8.2
308.26703	10.3
336.87720	5.5
349.28958	70.7
367.25024	8.8
367.29938	100.0
367.33926	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01878	20.6
55.05510	25.8
56.96558	3.4
57.03422	11.2
67.05505	38.1
69.07060	19.1
69.97107	9.0
69.97518	5.0
77.76273	2.6
79.05497	27.1
81.07055	68.4
83.04971	7.9
83.08616	21.8
85.06527	5.3
90.55546	2.4
91.05477	29.7
91.96328	2.4
93.07043	63.5
95.08601	67.8
97.06533	2.6
97.10115	3.0
100.21662	2.7
105.07028	57.0
106.49412	2.5
107.08591	52.5
109.06567	3.7
109.10149	30.4
111.08081	32.1
113.09648	7.9
116.84973	2.3
117.07008	12.3
119.08572	50.1
121.10135	38.7
123.08095	3.0
123.11704	12.9
128.06152	3.9
129.06996	5.8
131.08571	33.7
133.10132	42.0
135.11697	47.4
142.07761	3.5
143.08533	14.0
144.09355	3.2
145.10126	42.2
147.11685	49.2
149.13243	24.4
155.08549	3.9
156.09196	3.0
157.10127	21.3
159.11697	42.8
161.13248	67.1
163.14861	14.4
169.10103	7.0
171.11681	14.2
173.13260	26.5
175.14810	23.5
177.16367	7.7
183.11705	10.7
185.13271	24.5
187.14818	24.0
189.12766	3.0
189.16376	10.2
197.13283	9.1
199.14824	22.6
201.16422	22.2
203.17970	5.8
205.15666	2.6
211.14809	9.2
213.16360	20.4
215.17963	25.0
217.15891	3.0
225.16335	5.8
227.17938	11.5
229.19514	3.7
231.17706	3.0
239.17928	18.8
241.19455	6.4
251.18022	3.4
253.19514	9.2
255.21138	7.2
257.18991	5.7
257.22617	4.4
267.21039	10.0
275.20105	3.3
279.21219	3.2
285.22064	3.2
295.24203	11.5
297.25739	12.6
309.17401	6.5
349.28912	77.7
350.29266	6.4
367.13358	7.5
367.25021	5.5
367.29947	100.0
368.30618	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	367.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	17.6
55.05511	12.8
57.03437	10.8
67.05164	2.8
67.05498	35.0
67.05833	1.6
69.07056	11.4
69.87774	11.0
79.05486	25.7
81.07049	68.7
83.04968	8.5
83.08617	15.6
85.06545	3.8
86.78846	1.5
91.05476	28.1
93.07037	49.8
93.07620	2.7
95.04940	2.5
95.07979	3.3
95.08598	65.6
97.06532	2.2
97.10144	4.6
98.21381	3.7
105.06299	2.0
105.07021	44.6
107.08585	47.8
109.06487	5.3
109.09443	3.3
109.10145	34.3
111.08079	28.8
113.09629	7.9
117.07011	9.3
119.08578	41.5
121.10140	36.6
122.64309	2.1
123.11676	10.0
129.06972	5.3
131.08565	22.4
133.10115	44.9
135.11682	34.7
136.11873	1.6
137.13185	1.9
141.66872	2.6
143.08524	12.4
145.10097	33.2
147.11676	44.1
149.13254	27.7
151.11246	2.8
155.08583	3.9
156.09357	2.9
157.10127	16.7
157.14098	1.9
159.11681	44.5
161.13242	62.2
163.14809	15.2
169.10095	6.1
171.11678	13.7
173.13251	22.8
175.14803	31.1
177.16368	7.7
183.11646	6.2
185.13240	23.3
187.14810	23.3
189.16412	10.4
197.13234	7.3
199.14832	17.1
201.16347	17.8
203.14363	5.0
203.17953	3.2
205.15871	2.0
211.14821	6.0
213.16367	21.8
215.17917	19.1
217.15863	3.2
217.19380	3.2
223.14729	3.1
225.16367	6.5
227.17929	12.2
229.19531	5.9
231.17487	3.7
237.16245	2.0
239.17940	17.3
241.19542	8.4
243.20966	2.4
253.19527	7.7
255.21106	4.9
257.18982	4.9
257.22684	6.4
265.19379	3.1
267.21027	8.4
275.20261	2.4
279.20999	4.7
285.22092	5.6
293.22595	4.4
295.24231	9.2
297.25742	14.7
349.28876	73.1
350.29102	4.1
367.29929	100.0
368.30316	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	32.6
57.99806	8.7
59.05001	19.9
65.03942	8.7
67.05507	52.4
67.05824	10.2
69.03431	15.3
69.07056	24.5
79.05491	35.5
79.09185	9.3
81.07039	75.1
85.06538	39.4
91.05466	65.2
93.07053	84.1
95.04981	49.3
95.08588	65.6
105.07022	90.3
107.08588	50.6
109.06541	22.4
109.10130	45.9
110.01769	10.0
117.07008	28.1
119.08590	100.0
120.18758	9.5
121.06556	16.8
121.10137	43.0
123.08167	8.8
123.11737	19.6
129.06993	13.1
131.08571	51.4
133.10135	52.9
135.08063	18.7
135.11665	24.6
141.06947	11.8
142.07787	15.0
143.08556	37.0
144.09309	14.8
145.10115	56.3
147.11710	19.8
149.09634	11.3
156.09303	13.2
157.10135	45.4
159.11728	28.1
161.09622	35.4
161.13290	11.8
163.11234	12.0
167.08582	15.5
169.10155	20.9
171.11679	23.2
173.09595	9.8
173.13225	26.2
175.14835	15.2
179.08615	14.4
181.10182	13.6
185.13269	11.3
187.14787	13.6
197.13295	18.9
199.14694	10.5
201.12817	10.1
207.11687	11.2
209.13254	28.9
213.16396	10.5
227.14334	10.2
229.28017	11.0
343.81509	9.2
349.25284	10.2
367.26151	10.7
370.69498	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.2
53.03937	9.0
55.05502	26.8
57.07066	12.0
58.34387	4.2
65.03947	4.4
67.05499	56.2
69.03439	7.3
69.07076	28.0
71.04994	6.8
71.60065	5.5
79.05490	39.9
81.07055	59.9
83.08601	13.0
85.06538	6.8
91.05477	54.1
93.07049	80.2
95.04980	35.1
95.08611	61.7
97.06526	14.6
97.90385	4.1
103.05437	6.7
105.07029	100.0
107.08593	66.2
109.06530	12.9
109.10162	46.1
111.08122	4.3
115.05444	7.0
117.07018	23.0
119.08582	99.1
121.06482	7.9
121.10149	52.9
122.04508	4.2
123.08083	4.8
123.11719	14.1
128.06169	8.3
129.07014	18.2
130.07779	7.7
131.08575	63.4
133.10138	64.3
135.08078	15.4
135.11702	20.9
139.11182	5.4
142.07820	20.2
143.08531	38.5
144.09337	10.9
145.10132	69.0
146.07201	6.7
147.08102	12.0
147.11644	21.6
149.09610	16.7
150.09822	4.7
155.08549	10.1
156.09346	14.4
157.10136	61.0
158.10870	5.8
159.08136	4.7
159.11699	40.7
161.09639	38.9
161.13240	7.8
161.47659	3.9
163.11217	6.8
164.93866	4.3
167.08583	9.6
169.10103	23.9
170.10841	5.0
171.11710	26.0
173.09644	8.9
173.13286	29.5
175.11244	6.1
175.14833	20.4
179.08604	11.8
180.09317	6.3
181.10112	12.8
183.11708	16.6
184.12572	6.1
185.13280	15.1
187.14777	17.6
191.14296	5.9
193.10054	5.7
194.10909	10.5
195.11699	11.7
197.13319	12.2
199.11295	4.8
199.14818	17.1
201.12857	4.2
209.13251	19.6
211.14850	7.3
223.14725	6.4
227.14337	16.8
229.15929	4.5
237.16362	5.3
239.17897	8.3
265.19406	9.9
349.25082	6.4
367.26175	17.3
367.34061	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	20.1
55.05293	7.7
55.05511	72.1
56.96567	9.0
57.03428	25.2
57.07070	11.1
59.05001	8.1
66.92889	6.0
67.05504	100.0
69.03415	11.5
69.07056	31.6
71.08629	72.2
71.60806	11.7
79.05499	74.4
81.03402	17.3
81.07059	88.1
83.04968	23.5
83.08601	24.0
91.05462	41.6
93.07032	57.6
95.04954	29.4
95.08590	40.0
97.10163	29.5
99.08086	62.9
105.07034	41.0
107.08592	54.0
109.06506	16.6
109.10142	32.7
117.07045	13.7
119.08588	27.2
121.06509	14.1
121.10138	22.5
123.08055	17.1
123.11666	8.8
125.09634	36.8
131.08537	22.6
133.10147	41.1
133.81256	6.7
135.08064	10.2
135.11684	16.8
139.11165	26.6
140.98457	15.2
142.99998	8.5
143.08615	11.0
145.10091	17.9
147.08040	8.0
147.11696	16.6
149.09627	13.2
151.11212	19.4
155.00038	9.4
155.08588	6.4
157.10152	11.8
159.11699	15.1
163.07182	8.2
171.11650	15.8
174.98993	10.1
177.12781	9.0
189.00481	10.7
189.11177	19.6
191.85040	8.0
194.84737	7.2
247.20555	10.9
249.31657	7.4
257.18939	14.5
275.19998	94.1
293.21182	99.2
293.24258	13.7
297.42593	7.0
320.98764	7.1
344.07391	7.8
349.23965	8.7
367.24997	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01869	19.0
55.05503	29.8
56.96564	42.3
57.03432	22.7
57.07072	5.7
67.05505	67.6
68.17167	4.8
69.03428	10.6
69.07062	43.1
69.78658	24.5
69.79065	9.3
71.04978	8.1
71.95271	4.7
75.86848	5.7
77.58795	5.3
79.05495	60.3
81.03423	6.0
81.07062	79.3
83.04987	12.0
83.08614	17.0
85.06544	6.9
88.41327	5.1
91.05482	47.0
93.07042	54.7
95.04971	20.5
95.08605	44.2
95.68602	4.9
97.06539	30.4
97.10163	10.1
98.20747	9.4
105.07030	46.7
107.04961	18.3
107.08595	53.5
109.06519	15.6
109.10179	28.4
116.98628	5.3
117.07007	14.8
119.08568	33.1
121.06530	10.8
121.10152	22.8
123.08027	10.4
123.11740	8.4
124.28604	4.5
125.09593	12.4
131.08556	20.9
133.06450	5.2
133.10081	29.3
135.08018	6.0
135.11703	10.0
137.09615	7.3
138.70477	4.6
142.98761	5.4
143.08540	7.5
145.10144	20.3
146.99666	8.5
147.07967	7.4
147.11691	19.9
147.50757	4.7
149.01308	5.5
149.09596	33.9
149.13208	6.0
151.11177	6.6
157.10132	9.1
159.11688	11.4
161.13284	5.2
163.11171	18.7
167.02133	5.4
171.03271	6.6
173.13264	9.9
183.11578	6.0
187.11252	7.3
189.04141	6.1
189.11227	14.1
197.13284	5.6
203.05779	9.3
217.07483	10.0
220.90637	6.2
231.09006	7.9
239.09297	4.9
239.17950	6.0
241.11163	8.3
243.09113	35.8
244.94380	5.8
247.20604	8.2
255.09068	42.1
257.18985	10.0
259.12225	16.4
261.09955	25.5
269.10672	19.3
273.10077	41.0
275.20065	96.4
285.10110	13.3
287.11621	7.7
293.21277	13.4
311.21848	6.6
331.15445	5.5
349.16882	66.2
349.23621	31.6
367.17886	100.0
367.24902	17.3
368.18805	7.3
368.24261	13.6
385.19070	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
53.42544	3.6
55.01879	8.5
55.05512	28.5
56.96552	9.1
57.03426	18.1
59.05004	4.4
64.65665	3.7
67.05169	4.3
67.05501	55.1
69.03429	11.8
69.07064	28.5
69.42179	10.9
69.42602	21.9
71.04986	6.0
79.05488	61.2
81.03424	5.1
81.07050	100.0
83.04966	11.4
83.08599	14.9
85.06508	8.0
91.05474	44.2
93.07032	46.9
95.04967	19.7
95.08600	42.0
97.06509	10.8
97.10159	4.9
105.07023	39.5
107.04908	6.4
107.08570	31.0
109.06507	12.3
109.10188	19.7
111.08072	6.5
116.98459	4.4
117.07016	16.0
119.08569	31.4
121.10139	23.5
123.08052	8.1
123.11695	8.1
131.08578	18.8
133.10129	25.4
135.04391	22.9
135.08015	8.0
135.11684	10.5
136.04799	3.9
137.09596	7.7
143.08559	4.7
145.10098	15.7
147.11707	17.9
149.01282	4.0
149.09610	7.0
149.13222	9.9
151.11198	8.4
157.10103	8.4
159.11687	12.9
163.11205	12.1
163.14757	4.1
165.12825	7.5
171.11707	7.0
173.13263	7.9
195.13927	3.7
204.61185	4.2
247.20618	9.0
257.18994	4.8
267.91986	3.7
269.17288	3.7
275.20016	43.5
285.63589	10.0
286.14017	4.3
292.93002	4.1
293.21170	17.8
341.35376	3.7
349.23846	8.5
367.18250	4.3
367.24646	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03941	3.3
54.91411	1.6
55.01863	3.7
55.05515	13.3
56.96560	4.0
57.03430	10.8
57.07068	4.4
60.47084	1.5
60.58426	1.6
65.03925	2.5
67.05508	24.7
69.03396	1.7
69.07069	12.7
70.99749	3.3
71.00063	2.3
71.05001	4.3
79.05485	22.3
81.07056	32.8
83.04974	4.5
83.08625	3.8
85.06528	3.3
89.10033	1.9
91.05476	21.3
93.07043	27.8
95.04960	6.7
95.08610	21.1
97.06531	7.8
97.10182	2.2
98.97615	1.9
100.80612	2.0
103.05450	2.2
105.07024	23.5
107.04958	4.4
107.08583	16.7
109.06524	8.2
109.10150	8.3
111.08053	2.9
113.06012	2.6
115.05557	1.8
116.98631	1.7
117.07029	9.5
117.84987	2.0
119.08572	19.0
121.06518	6.5
121.10142	9.7
123.08062	4.5
123.11716	3.8
125.09582	3.7
129.07043	2.8
131.07065	2.4
131.08562	12.6
133.10115	11.5
134.99693	2.2
135.08075	4.7
135.11659	4.7
137.09659	3.9
142.17184	1.8
143.08565	3.7
145.10091	11.1
147.08128	2.7
147.11679	12.4
149.09613	7.2
151.11211	4.2
157.10149	4.5
157.67667	1.6
159.11719	9.2
161.13226	2.1
163.11192	7.6
165.12738	3.2
169.01392	1.8
169.10190	3.4
171.11664	2.6
173.09618	2.1
173.13261	6.3
175.11195	4.1
183.11656	2.6
185.13272	3.3
191.14349	2.0
195.11620	2.0
197.13280	1.8
205.15956	2.0
219.17451	3.5
225.12845	1.9
229.19489	2.9
239.18155	2.1
247.20544	2.1
257.18973	11.4
275.20065	54.3
285.63855	2.0
293.21091	5.5
295.52924	2.0
344.56531	1.9
349.16937	2.5
349.23901	16.8
367.24588	100.0
368.24954	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10746	1.7
53.03937	3.4
55.01874	10.1
55.05513	22.2
56.96556	6.0
57.03437	13.3
64.88214	1.6
65.03939	2.1
67.05160	2.6
67.05503	30.6
68.85199	1.5
69.03434	3.5
69.07063	14.5
70.78633	3.4
71.04980	5.7
71.08636	2.6
75.04467	1.6
77.00880	2.2
79.05058	2.4
79.05495	31.5
81.03418	3.0
81.07059	26.7
83.04980	10.8
83.08620	11.0
85.06564	1.8
91.05477	16.5
93.07037	30.0
95.04967	19.6
95.08615	18.0
97.02885	2.3
97.06531	5.7
97.10165	7.5
98.97622	2.0
99.04434	3.0
105.07035	16.9
107.04981	4.6
107.08596	23.5
109.06498	5.5
109.10169	10.1
111.04420	12.7
111.08082	6.5
113.05985	2.1
116.98643	1.9
117.07018	6.5
119.08580	14.4
121.06493	4.0
121.10144	14.4
123.08044	4.5
125.09637	6.4
129.06999	2.3
131.08554	9.9
131.36482	1.5
133.10120	10.0
135.08037	4.0
135.11684	5.8
137.09673	3.8
139.11177	2.5
143.08562	2.2
145.10109	8.3
147.08101	2.0
147.11707	5.8
149.01218	4.5
149.09610	14.9
153.12753	2.1
157.10173	1.8
159.11726	4.9
161.09627	1.9
161.13304	3.2
163.11194	12.6
165.12755	2.5
167.02177	2.6
167.10606	1.9
171.11667	2.8
173.13229	2.1
177.12721	1.6
183.11583	2.0
187.11113	1.9
189.11223	5.8
195.05067	2.4
213.06136	2.2
223.13283	16.5
231.10794	4.5
257.19055	5.6
267.14481	7.1
275.20090	39.8
275.23096	2.2
285.13211	2.3
285.15863	3.4
285.63733	10.3
286.13852	3.7
293.21085	17.0
309.38895	1.8
327.18506	2.4
335.20810	6.4
345.19550	6.7
349.23767	5.3
353.21692	2.0
366.66473	2.7
367.24573	100.0
368.24887	4.4
385.19464	1.8
385.24219	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	367.1881
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
52.75866	0.8
56.96299	2.0
56.96565	36.3
67.05499	1.1
69.47175	1.7
69.47581	6.4
69.66972	0.9
71.95238	3.6
72.96038	1.4
79.05465	3.5
81.07053	11.5
82.45767	0.9
84.96001	1.3
97.96760	1.4
110.97565	2.4
115.00639	0.9
116.98590	1.5
123.01215	1.9
125.22669	0.8
128.98627	4.7
130.19545	1.0
141.02177	1.6
146.99620	4.8
147.03342	1.1
155.03813	1.4
159.03297	1.5
161.01193	1.3
161.22232	0.8
165.00705	1.1
166.57712	0.9
169.01796	1.5
171.03329	1.7
173.04909	1.1
177.04338	1.2
180.73001	1.2
185.04890	2.0
187.02695	1.0
189.04306	2.4
191.05978	1.4
195.07085	1.2
197.04849	1.2
199.06416	3.0
201.04333	1.2
201.08075	1.1
203.05893	3.3
205.07478	2.5
213.07950	9.6
217.07458	6.2
219.09041	1.2
221.06712	1.0
223.02846	1.3
223.08505	2.2
225.07993	3.3
229.07437	3.2
231.09033	18.8
237.07915	1.9
239.09521	4.1
241.07428	1.0
241.11032	3.3
243.09119	4.4
247.08621	2.8
251.05719	1.1
251.09549	5.3
253.11038	1.4
255.08936	9.0
257.10562	5.5
259.12198	8.5
261.09949	1.6
269.10611	35.7
270.10999	1.0
271.12201	1.8
273.10043	6.4
279.09024	2.9
287.11646	26.1
289.86383	1.0
292.11917	1.5
297.10095	4.2
310.13431	1.0
315.11185	3.2
321.17114	1.0
331.15820	9.4
349.16824	20.9
350.16907	0.9
367.17850	100.0
368.18231	3.5
385.18924	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	367.2467
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
50.85384	0.8
55.01860	1.6
55.05514	5.3
56.96553	2.1
57.03419	2.5
67.05503	10.9
69.03415	1.4
69.07066	4.3
69.93640	5.2
71.08598	1.0
74.12653	0.8
79.05489	8.1
81.07056	14.8
83.04957	1.3
83.08610	3.8
85.06542	1.2
91.05499	5.5
93.07040	7.1
95.04931	2.6
95.08602	9.0
97.06493	2.4
99.08090	1.8
103.35748	1.0
105.07025	9.3
107.04939	1.5
107.08581	5.3
109.06491	2.5
109.10164	3.3
116.98583	1.0
117.06999	1.3
119.08578	7.2
120.38982	0.9
121.10130	2.1
123.08072	1.2
131.08568	3.5
133.10129	4.5
135.08147	1.3
135.11685	2.6
137.09663	1.3
143.08534	0.9
145.10127	3.6
147.11659	2.7
149.09624	1.9
151.11116	1.7
157.10088	1.6
159.11676	2.4
161.09659	1.0
165.12791	1.1
185.13416	0.9
229.07396	1.4
237.05168	0.9
240.10651	1.0
247.20737	1.2
249.19371	0.9
257.19144	1.0
275.20084	10.3
285.10068	1.1
293.21024	5.0
349.23721	1.3
360.12161	1.0
367.24567	100.0
368.24869	5.3
385.18918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	5.1
55.05513	25.0
56.05838	0.9
57.03440	7.6
57.07076	1.6
59.05003	1.6
61.02926	17.4
61.30103	0.8
63.15437	0.8
65.03928	1.5
67.05505	20.3
67.05869	1.0
67.52557	0.8
69.03419	5.9
69.07068	23.9
70.17350	4.2
71.04986	1.7
71.08632	28.1
73.02928	6.7
73.78153	0.9
79.05492	19.0
81.03414	4.6
81.07056	19.5
83.04980	4.3
83.08622	7.6
85.02900	14.2
85.03365	1.3
85.06538	1.0
87.08147	0.9
91.03951	10.3
91.05480	8.7
93.07048	13.9
95.04961	7.5
95.08603	10.8
96.29763	1.0
97.02892	10.2
97.06528	1.9
97.10169	9.0
98.21416	0.9
99.04433	1.4
99.08088	22.4
102.96943	1.2
105.07037	7.5
107.04968	2.1
107.08595	11.2
109.02869	1.1
109.06539	3.6
109.10147	8.8
111.08060	2.0
111.11742	1.4
117.07013	2.1
119.08596	4.7
121.06528	2.3
121.10154	5.0
123.08065	1.9
123.11723	1.7
125.09621	9.0
127.03960	1.9
129.06970	0.9
131.00021	2.0
131.08612	4.1
133.10115	2.9
134.99548	1.1
135.08067	3.3
135.11702	3.0
137.05984	1.5
137.09615	1.1
139.11182	1.7
140.98448	2.2
143.00052	1.3
143.08562	1.2
145.04999	1.1
145.10138	3.7
147.11656	0.9
148.97437	1.2
149.13249	1.8
149.94574	0.9
151.11154	1.9
152.96921	1.0
155.00008	1.3
157.01613	2.1
157.10124	1.5
159.07999	1.0
159.11679	2.2
160.97440	1.2
161.09576	1.1
161.13205	1.4
163.11227	1.4
165.12749	1.6
166.98524	1.7
167.10706	3.2
169.01543	1.5
173.13329	1.1
174.99129	1.1
176.96989	2.2
177.12791	2.5
178.98526	1.1
179.10768	1.0
183.11752	1.0
188.96977	1.3
189.00601	2.3
189.09027	0.8
189.11253	3.5
193.10030	1.4
195.13832	1.2
197.13214	1.1
201.00562	1.0
205.09096	1.0
211.14699	0.8
215.02223	1.1
220.99550	0.9
223.14894	0.9
227.12744	0.8
247.20717	1.7
255.00270	1.5
261.22235	1.0
265.21606	2.2
275.20038	8.8
293.21112	100.0
294.21506	3.5
306.67789	0.8
310.06747	0.9
311.02826	1.9
335.25848	0.9
340.78812	0.9
349.21628	2.2
367.25003	27.5
368.31253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	35.5
57.03428	0.9
64.37415	0.8
69.07052	1.1
71.59664	1.4
71.95258	4.1
72.96029	2.2
74.97619	0.8
78.25670	0.9
79.05506	4.5
81.07056	10.4
84.62622	0.7
84.96011	1.0
91.05451	0.8
93.07031	1.1
95.08555	1.1
97.96818	2.2
105.00143	0.8
105.07017	0.9
107.08585	0.8
110.97572	3.3
115.97871	1.0
123.01227	0.8
128.98618	5.4
137.02748	2.0
141.02238	1.3
146.99658	5.3
153.02190	1.5
155.03760	2.1
159.03264	1.3
161.01181	1.1
165.00824	1.0
167.03746	1.3
171.03381	1.8
173.04842	1.8
179.02299	1.0
185.04802	1.8
187.06424	1.1
189.04344	2.9
191.05881	0.8
195.06949	1.8
199.06430	2.7
201.04330	1.5
203.05930	3.0
205.07430	2.9
207.07019	0.8
211.06355	2.1
213.04247	0.7
213.07996	8.7
217.07523	7.2
223.08490	2.6
225.07956	4.6
229.07472	3.6
231.07034	0.8
231.09026	19.2
232.09280	1.0
237.07942	2.7
239.09595	4.7
241.11122	4.2
243.09024	4.8
245.10448	1.0
247.08595	2.1
251.09569	4.8
253.11052	1.7
254.10751	1.0
255.09038	8.3
257.10583	4.0
259.12173	8.3
261.07709	1.1
261.10147	1.6
267.09042	1.0
269.10608	34.3
271.12115	1.0
273.10077	6.4
275.20029	1.1
279.08997	1.7
280.09695	2.4
287.11639	25.1
288.12085	0.9
292.12259	1.5
297.10031	3.7
298.11014	1.2
315.11069	2.4
325.16714	1.1
331.15787	10.9
349.16855	19.9
350.17477	1.1
367.17847	100.0
368.18121	6.6
385.18958	27.7
386.19547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1152
Annotation	Derrubone
Peak:m/z	Relative Intensity
55.05509	0.4
55.52765	0.2
59.04991	0.4
66.02277	0.2
67.05495	0.9
69.07067	0.5
70.10404	0.9
79.05495	0.7
81.07051	1.7
81.79452	0.2
83.08603	0.3
87.75552	0.2
91.05489	0.7
93.07038	0.8
95.04974	0.4
95.08585	0.7
105.07034	0.8
107.08591	0.7
109.10166	0.3
117.07026	0.4
119.08604	0.7
121.10130	0.5
131.08533	0.3
133.10088	0.4
135.08040	0.4
145.10075	0.3
147.11713	0.5
157.10278	0.3
175.03677	6.5
203.27011	0.3
257.19031	0.3
275.20087	0.4
321.10910	0.7
335.09314	0.3
339.12039	9.7
341.46771	0.3
367.11514	100.0
368.11856	3.9
385.12646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
55.01846	0.6
55.05511	0.6
56.96543	1.2
60.04528	19.7
61.58313	0.6
66.88579	0.6
67.05493	1.5
69.03423	1.0
69.07071	1.0
69.85871	0.6
70.02919	1.8
70.76619	1.6
72.04517	0.9
73.02894	0.6
79.05510	0.5
81.07047	0.7
84.04485	0.8
84.08131	1.7
85.02891	1.1
86.09705	68.9
87.05594	16.4
91.05484	1.4
93.07034	1.0
95.08594	0.8
97.56811	0.6
98.97578	0.8
103.05478	1.3
105.07005	1.2
107.04904	1.0
109.02942	0.6
119.08582	0.7
120.08103	34.1
128.10713	9.5
131.08536	0.7
132.10225	0.6
134.67836	0.7
144.08089	1.3
146.99675	0.9
149.05943	0.7
151.07550	0.8
155.84584	0.6
157.07643	0.6
159.08049	1.5
160.08388	1.9
162.09056	1.1
166.08641	11.4
173.12860	100.0
174.10349	1.1
174.13382	0.6
175.10747	2.0
201.12350	21.2
207.11276	7.2
219.13351	0.7
235.10791	1.4
237.02998	0.8
279.17056	2.1
322.11859	0.8
367.11865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.2
69.73597	1.0
82.99887	0.2
98.20768	0.3
98.97570	0.2
101.00845	0.3
116.98621	0.1
119.01911	7.1
122.97793	0.2
134.99855	0.3
137.02951	4.6
138.03090	0.2
142.03493	0.2
153.00914	0.9
158.99887	0.6
165.99617	0.2
175.02975	0.2
177.00945	21.0
178.01010	1.1
179.00891	0.2
182.99915	0.4
193.04153	0.6
195.01956	0.8
200.02493	0.3
201.00830	0.9
216.98790	0.2
217.04044	2.7
218.03680	0.2
219.01996	26.2
220.02138	1.6
221.01933	0.3
225.00822	2.2
234.99951	0.8
236.00128	0.5
236.99963	0.4
242.03525	0.7
243.01944	4.8
243.04211	0.4
254.03799	0.2
255.00717	0.3
258.99957	0.7
260.00107	0.8
260.04617	0.6
261.03049	100.0
262.00220	0.2
262.03149	4.7
263.03448	0.8
266.03778	0.2
275.04593	0.4
277.01071	1.6
278.01114	1.9
279.00912	1.3
280.00977	0.6
282.99969	0.7
284.00073	1.3
284.04639	3.5
284.99817	0.5
285.04633	0.4
289.06339	0.2
301.01025	2.9
302.01175	4.7
303.00818	1.2
316.00961	0.2
319.02188	0.3
320.02304	0.5
325.01306	0.3
326.01288	0.3
343.02213	1.4
344.02216	2.0
361.03152	0.2
362.03250	0.9
367.02249	0.8
385.03125	4.5
386.03073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01863	7.2
55.05514	24.7
57.03421	7.9
58.21372	1.5
61.02916	6.0
66.95796	1.6
67.05508	2.0
68.99789	3.4
69.03436	38.6
70.89458	4.5
71.04979	4.6
71.21777	1.8
73.02929	8.0
81.03420	22.4
83.08624	13.5
85.02908	100.0
87.00832	45.9
87.04447	1.9
91.03939	2.7
91.24609	1.6
95.08621	2.4
97.02898	40.2
99.04455	12.3
100.11252	2.6
105.01874	73.1
108.04465	3.5
109.02879	25.7
115.03880	1.8
117.01849	2.6
126.05463	1.7
126.89771	1.4
127.03923	72.6
129.01875	2.6
134.16727	1.6
145.04964	47.5
147.02864	2.2
159.02876	15.7
181.76305	1.6
189.03941	5.2
191.29443	1.8
207.57253	1.8
231.05008	17.4
249.06081	6.3
267.33459	2.0
285.22629	1.8
290.20551	1.5
313.04352	2.0
358.20944	1.9
366.22586	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01851	6.6
55.05504	2.8
57.03428	7.1
61.02913	6.2
65.90227	1.2
66.10793	1.3
66.39920	1.6
68.08956	1.3
68.99785	2.2
69.03072	2.4
69.03426	34.9
69.29010	5.0
69.29433	8.8
70.06606	1.6
71.04984	5.0
73.02905	5.1
79.05464	1.8
81.03411	20.2
83.08605	1.9
85.02901	100.0
87.00826	45.4
91.03944	1.8
91.05462	1.6
93.07042	1.3
97.02882	34.0
98.97575	2.8
99.04435	9.6
105.01861	77.6
105.06997	2.5
107.04963	2.0
109.02865	26.0
117.01839	2.3
126.05466	1.8
127.03913	60.1
129.01840	2.7
145.04944	31.0
145.10103	2.7
151.03955	1.7
159.02887	8.4
162.24855	1.4
189.03911	2.2
213.03926	2.8
231.04977	17.6
249.05980	9.3
293.26572	1.5
324.10550	1.7
366.23267	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01656	0.7
55.01873	8.6
55.05511	3.3
57.03432	6.2
61.02922	7.6
67.05505	0.7
68.99780	2.6
69.03426	37.9
69.07056	0.9
69.59402	4.0
69.59811	0.9
71.01350	1.2
71.05000	5.5
73.02911	7.8
73.30728	0.6
81.03415	24.6
81.07041	1.5
83.01333	1.0
83.04956	0.7
83.08618	2.6
85.02901	100.0
86.03227	0.8
87.00826	46.2
87.04465	0.8
91.03959	2.1
93.07039	1.1
95.04944	0.7
97.02891	31.2
99.04448	12.7
99.08124	0.7
101.02376	1.0
103.03934	0.8
105.01861	64.4
105.07046	0.9
108.04469	3.2
109.02878	27.8
109.06506	0.7
111.08090	2.2
113.09594	1.0
115.03941	1.6
117.01857	2.5
119.08658	0.6
119.43828	0.6
123.02899	1.0
123.08077	1.0
126.05563	1.5
127.03912	70.7
128.04288	1.5
129.01817	3.9
135.08035	1.3
139.07552	1.0
141.09102	1.5
143.55287	0.7
145.04953	32.6
146.31628	0.7
147.02986	1.7
148.42749	0.7
151.07556	1.4
155.10895	0.7
159.02885	14.9
167.10789	0.8
171.02824	0.9
177.04001	1.4
189.03918	4.0
191.10612	0.9
201.03885	0.6
209.11708	5.0
213.03999	2.3
231.05008	17.8
248.07594	1.4
249.06145	4.0
287.49957	0.7
295.11774	4.8
313.12967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76112	2.0
65.14896	1.7
67.05482	4.8
69.07056	2.3
70.43676	6.7
80.92196	1.8
81.07063	4.1
83.08614	2.0
85.07666	100.0
95.08600	4.7
105.06989	2.1
119.08620	1.9
123.07964	2.7
155.11769	3.4
193.30795	2.2
217.21582	1.9
220.05763	2.0
293.75436	1.9
323.26877	7.0
328.98730	1.9
346.59399	1.9
347.26825	15.9
365.27722	15.3
366.28012	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	366.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71649	0.8
60.91648	0.7
70.76680	2.9
87.41572	0.9
92.90718	0.8
94.16459	0.8
118.52776	0.9
119.01910	9.0
130.50014	1.0
134.99721	2.5
137.02948	5.4
153.00890	1.4
159.00067	0.9
177.00945	23.1
178.01048	2.0
179.00743	2.1
182.25168	0.8
182.63943	0.8
183.06078	1.1
201.07170	1.2
210.99988	0.9
217.04015	3.4
218.03516	1.4
219.02008	33.8
220.02129	1.9
221.01746	4.7
225.00975	2.2
231.95532	0.8
232.95038	1.0
233.01741	1.1
234.99919	8.3
236.00049	2.6
236.99835	2.7
242.03603	2.9
242.99802	0.9
243.01996	4.3
246.11620	0.8
253.01051	3.5
255.00948	1.9
255.95500	1.9
256.95169	1.3
258.03104	1.3
259.00024	11.7
260.00067	2.6
260.04590	2.8
260.99988	7.6
261.03046	100.0
262.03146	1.4
263.02908	4.1
264.99084	2.4
275.98288	1.0
277.01041	23.8
278.01102	5.9
279.00839	15.3
280.00766	1.3
282.99982	22.2
283.06198	2.1
284.00156	2.8
284.04684	3.8
284.99750	2.0
301.01038	67.4
302.01163	9.1
303.00803	6.1
304.01071	1.5
315.00836	2.6
318.01987	1.3
319.02133	7.0
324.00674	4.4
325.01056	3.0
341.02359	1.1
341.95496	2.3
341.97452	1.3
342.01917	20.0
342.95325	2.3
343.02139	25.1
344.02795	1.0
357.02252	1.0
360.02927	3.0
361.03305	10.2
366.01849	4.4
384.03223	10.3
385.03079	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01869	2.1
55.05511	12.6
57.03434	3.6
57.07076	100.0
59.04987	2.2
62.91451	1.2
67.05502	16.4
69.07068	41.4
70.04044	4.6
71.04987	3.1
71.08627	1.2
73.06514	1.2
79.05509	13.5
81.07059	20.1
83.04982	6.2
83.08626	9.0
85.06543	63.3
91.05482	6.9
93.07039	23.8
95.04980	2.4
95.08601	20.6
97.06528	17.4
97.34436	1.1
99.08061	1.4
101.06007	1.2
101.69444	1.3
105.07040	5.1
107.08599	20.0
107.09335	1.9
109.06518	24.6
109.10144	9.6
111.08076	8.0
111.11734	3.4
119.08598	5.6
121.10114	6.5
123.08078	8.1
129.07083	1.2
131.08620	1.7
133.10129	4.9
134.97264	1.2
135.08051	31.3
135.11690	29.6
137.13242	2.2
143.08633	1.7
145.10127	4.9
147.11658	3.3
149.09634	3.0
151.07567	5.4
153.12744	18.5
157.10129	1.5
159.11717	3.6
161.09729	1.8
163.11157	3.2
165.12730	11.0
167.14389	2.7
177.12732	10.7
179.14258	2.1
181.12279	3.0
191.14301	2.3
193.12268	3.7
195.13828	2.7
217.14291	14.5
263.20059	60.0
279.19562	2.7
281.21167	2.8
291.19547	4.5
319.26306	1.6
329.24677	2.1
337.27353	5.4
347.25800	98.2
348.26190	3.4
365.10449	2.4
365.22919	5.4
365.26880	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	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05508	2.3
57.03426	0.6
57.07080	3.0
66.50423	0.3
67.05508	3.7
69.07070	3.0
71.04974	0.4
71.08615	0.6
71.51905	0.6
74.63762	0.3
79.05505	2.1
81.03432	0.5
81.07057	4.5
83.04966	0.9
83.08621	0.5
83.34335	0.4
85.06522	2.7
91.05472	1.7
93.07052	2.8
95.04949	1.3
95.08593	2.9
95.44435	0.3
97.06539	0.7
99.08060	0.7
105.07052	1.9
107.08585	3.4
109.06528	2.3
109.10149	1.7
111.04424	1.3
111.08054	0.7
119.08587	1.6
121.10130	1.6
123.08047	6.4
124.08860	0.9
125.05986	1.0
131.08546	0.4
133.10126	0.9
135.08055	1.6
135.11714	1.1
137.05986	1.3
137.09593	0.7
137.13382	0.4
139.07527	0.6
143.08609	0.4
145.10115	0.9
147.11737	1.1
149.09644	0.8
149.13226	0.5
151.07524	3.8
152.08305	3.4
157.10120	0.8
165.09105	13.1
165.12804	0.7
166.09798	1.0
175.11159	0.7
177.09102	0.6
179.10721	2.5
179.14325	0.6
185.04042	0.5
193.12244	1.6
195.11768	0.4
195.13728	0.9
203.05368	0.5
205.12212	0.5
208.14496	1.7
219.13728	0.6
221.15324	1.9
233.19113	0.4
235.17000	0.9
249.18506	1.0
263.20084	1.8
291.19836	0.5
301.20078	0.5
305.24786	4.7
306.24973	0.7
307.26376	0.4
319.26303	4.8
347.25797	45.6
348.26160	2.3
365.26865	100.0
366.27274	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01868	4.6
55.05515	14.0
57.03434	3.0
57.07077	100.0
59.04998	3.1
60.80363	1.2
67.05505	16.6
69.07069	43.7
69.93862	3.1
69.94276	4.4
71.04993	4.7
71.08651	1.6
73.06584	1.3
79.05496	10.6
81.06638	2.0
81.07066	22.3
83.04991	4.2
83.08624	10.2
85.06543	68.9
91.05478	7.8
93.07043	19.7
95.04969	3.3
95.08610	18.5
97.06529	15.5
97.10217	1.9
98.21379	2.5
99.63701	1.4
101.40025	1.2
104.68706	1.6
105.07040	5.6
107.08591	22.4
109.06514	26.5
109.10167	8.1
111.08061	6.3
111.11730	3.4
119.08580	5.1
121.06534	1.4
121.10146	7.5
123.08068	9.4
123.11664	2.0
125.05962	1.9
131.08575	2.5
133.10146	3.5
135.08057	32.0
135.11693	30.2
137.09628	1.8
137.13358	1.8
143.08482	1.5
145.10117	5.3
146.92325	1.3
147.11731	2.7
149.09642	4.3
151.07573	4.9
153.12741	17.3
159.11711	1.3
161.09673	2.8
161.13237	2.2
163.11156	3.0
165.12737	7.5
167.14330	3.5
177.12778	11.9
179.14310	1.6
181.12173	1.7
185.04298	1.4
191.14417	2.4
193.12299	3.7
195.13846	2.2
203.05278	3.2
217.14378	13.1
232.81479	1.3
238.76128	1.4
253.19850	1.5
263.20050	60.5
264.20319	1.8
279.19559	2.8
281.21228	3.0
291.19543	4.5
319.26315	2.1
329.24689	1.5
337.27469	3.3
347.25818	87.6
348.26212	2.3
365.10635	6.8
365.22919	7.3
365.26953	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03956	0.2
55.05503	0.9
57.03425	0.2
57.07078	2.3
59.56880	0.2
64.78957	0.2
67.05509	1.6
69.07063	1.0
79.05516	1.1
81.07062	1.8
83.04993	0.4
83.08593	0.4
85.06527	0.6
91.05472	1.6
93.07034	1.9
95.04980	1.4
95.08605	1.8
97.06532	0.3
105.07029	1.7
105.20462	0.2
107.08592	1.9
109.06503	1.5
109.10169	0.8
111.08092	0.2
115.05436	0.2
117.07002	0.3
119.08572	2.0
121.06493	0.3
121.10110	1.1
123.08070	3.7
123.79854	0.2
124.08847	1.6
125.06017	0.3
128.06270	0.5
129.07005	0.6
129.84506	0.2
131.08577	0.6
133.10156	1.1
135.08051	1.2
135.11702	0.2
137.05983	0.6
137.09627	0.6
139.07579	0.5
142.07799	0.4
143.08524	1.1
144.09294	0.2
145.10130	1.3
149.09612	0.3
149.13216	0.2
151.07547	4.2
151.11221	0.4
152.08330	6.9
153.06937	0.2
155.08540	0.3
156.09375	0.4
157.10132	1.7
159.07985	0.2
159.11749	1.1
161.09666	0.3
161.13229	0.3
165.09114	8.9
165.10507	0.5
165.12787	0.4
166.09843	0.7
169.10161	0.5
170.10840	0.3
171.11708	0.7
173.09660	0.2
173.13332	0.4
175.11249	0.3
177.09099	0.4
177.12679	0.3
179.08540	0.4
179.10677	2.1
181.10214	0.4
181.12309	0.5
182.10919	0.4
183.11707	0.5
185.13289	1.5
187.11153	0.3
187.14793	0.3
192.09299	0.2
193.10138	0.5
194.11208	0.5
194.13004	3.7
195.11702	0.9
195.13649	0.4
196.12401	0.2
197.13222	0.5
203.05348	0.6
207.11711	0.6
207.13838	1.6
208.12527	0.3
209.13290	0.6
213.12799	0.4
221.13329	0.5
223.14832	0.5
230.52690	0.3
233.13202	0.3
235.14844	0.4
235.16992	0.5
237.16458	0.3
238.16985	0.2
247.14890	0.4
249.16295	0.3
249.18588	0.8
251.18077	0.3
258.14011	0.2
263.20126	2.0
267.17401	0.3
277.21765	0.3
306.25128	0.4
319.26483	1.2
347.25879	15.9
348.26193	0.8
364.32254	0.2
365.26904	100.0
366.23022	0.4
366.27200	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
53.29543	0.2
55.05495	0.9
57.07081	1.9
67.05506	1.2
69.07078	1.0
71.60654	0.4
79.05477	0.8
81.07064	1.7
83.04990	0.3
83.08598	0.5
85.06539	0.6
91.05459	0.7
93.07041	1.2
95.04974	0.3
95.08599	1.3
103.16064	0.2
105.07027	0.5
106.85150	0.2
107.08581	1.2
109.06513	1.3
109.10138	0.6
119.08551	0.3
121.10127	0.6
123.08062	3.5
124.08858	2.1
125.06017	0.2
131.08585	0.2
133.10092	0.3
135.08075	0.7
135.11719	0.3
137.05989	0.6
137.09631	0.5
138.06772	0.4
138.83510	0.2
139.07564	0.3
145.10118	0.2
149.13260	0.3
151.07547	3.4
151.11192	0.2
152.08325	6.2
161.09656	0.4
161.13156	0.2
165.09114	10.2
165.12773	0.3
166.09866	0.8
167.10733	0.2
175.11259	0.2
177.09172	0.4
177.12726	0.3
179.10674	2.6
181.12209	0.3
185.04201	0.2
189.12677	0.2
193.12234	0.3
194.13034	4.0
195.13676	0.4
197.19839	0.2
203.05173	0.5
207.13788	2.0
235.16937	0.7
249.18456	1.0
255.96916	0.2
263.20093	1.8
277.21613	0.5
296.61969	0.2
304.98013	0.2
319.26318	1.0
347.25809	17.2
348.26349	0.5
365.10535	1.1
365.26871	100.0
366.27197	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05493	9.3
57.07063	8.6
65.03947	2.1
67.05500	23.6
69.03410	3.0
69.07060	9.2
69.39516	9.7
69.39941	12.3
71.04980	3.2
79.05491	19.7
81.07049	25.3
83.08607	5.8
91.05474	35.1
93.07043	33.1
95.04963	42.6
95.08612	31.0
97.06535	10.1
105.07030	42.3
107.08593	28.2
109.06490	10.2
109.10144	15.7
111.08099	2.7
115.05428	3.6
117.06977	11.1
119.08582	51.3
121.06480	6.2
121.10165	12.2
123.08071	6.9
128.06209	8.8
129.07039	12.2
130.07739	4.6
131.08569	23.5
133.06424	2.2
133.10130	22.6
135.08051	12.1
135.11671	7.1
141.06969	5.3
142.07782	17.0
143.08556	39.0
144.09306	9.3
145.06415	2.3
145.10121	29.2
147.08028	8.9
147.11676	6.9
149.09610	5.1
151.07549	4.7
153.06937	3.4
155.08546	11.8
156.09370	24.0
157.08925	4.3
157.10130	57.6
158.10918	3.5
159.08087	6.3
159.11708	27.4
161.09622	7.5
161.13260	6.5
165.06950	6.1
166.07840	3.4
167.08542	9.8
168.09305	6.0
169.10130	20.8
169.12219	3.6
169.73470	2.0
170.10896	11.1
170.13779	2.5
171.11710	22.4
172.08774	3.4
172.12393	3.1
173.09624	6.2
173.13292	9.4
175.11177	5.2
179.08611	11.8
181.10104	14.9
182.10895	9.6
183.11719	26.8
184.12399	4.6
185.09669	3.0
185.13251	53.7
186.13664	2.3
187.11188	13.8
187.14792	15.7
189.12756	5.1
192.09355	4.4
193.10101	12.3
194.10902	6.1
195.11697	28.3
196.12402	7.9
197.09605	2.7
197.13220	26.0
199.11110	5.1
199.14816	9.7
201.12782	3.4
203.14368	6.1
205.10068	4.2
205.15944	6.8
206.10905	7.4
207.11694	20.2
208.12430	11.3
209.13206	27.8
210.13982	3.3
211.11301	4.0
211.14819	8.9
213.12721	12.4
213.16302	4.0
216.55568	2.1
217.10184	2.5
218.10971	3.4
219.11641	5.0
220.12506	7.9
221.13246	16.0
222.13986	9.2
223.11208	3.6
223.14774	19.8
224.15500	3.5
225.12718	7.0
225.16373	4.2
227.14395	3.7
232.12418	4.2
233.13199	8.9
234.13942	6.6
235.14806	9.4
236.15649	4.7
237.16345	14.7
238.17133	4.9
239.14322	6.1
239.17952	3.6
241.15836	6.2
243.11685	4.4
244.12531	3.0
245.13339	2.7
247.14790	7.2
248.15541	4.9
249.16440	16.8
251.14299	3.2
251.17986	9.3
255.17334	4.0
258.13904	3.2
259.14774	4.9
261.13031	2.7
261.16193	3.8
263.17917	8.6
264.18665	2.9
265.15906	6.5
265.19592	6.2
267.17392	4.6
269.18909	5.6
273.16425	6.1
275.17880	2.9
277.15894	4.1
281.18942	6.6
282.19910	2.6
289.19516	6.2
291.17447	7.6
299.17993	3.9
305.19180	2.6
307.20779	3.9
309.18512	5.4
314.20309	2.3
329.22662	5.6
332.21201	3.5
347.23697	37.6
365.10614	6.5
365.24738	100.0
366.25070	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20555	1.9
53.03925	2.7
55.01844	3.6
55.05512	16.7
57.07064	5.1
58.08131	1.9
58.18977	2.0
59.04976	2.3
65.03943	3.8
67.05501	34.3
68.30016	1.8
69.03420	7.3
69.07063	15.6
71.56073	2.1
71.60069	3.7
78.44562	1.9
79.05112	2.1
79.05494	24.5
81.07052	25.3
83.04970	6.0
83.08606	6.2
85.06539	6.2
91.05484	36.9
93.07043	38.5
95.04967	55.9
95.08038	3.6
95.08605	47.3
97.06511	5.8
97.10184	2.8
103.05454	3.0
105.06376	3.5
105.07032	49.6
107.08593	38.9
109.06524	13.3
109.10152	21.6
111.08109	2.4
115.05456	4.2
117.07008	18.3
119.07777	3.9
119.08575	53.7
121.06489	7.2
121.10132	21.5
123.08075	6.9
128.06212	7.2
129.06960	12.6
130.07745	4.5
131.08571	30.5
133.06479	2.6
133.10127	26.6
135.08052	15.3
135.11688	8.5
137.09619	3.7
141.06982	7.1
142.07730	16.5
143.08562	34.5
144.09351	10.0
145.06485	4.5
145.10110	40.9
147.08009	10.3
147.11655	8.2
149.09586	6.0
153.07016	6.1
154.07762	2.5
155.08575	17.1
156.09361	17.6
157.10120	45.7
158.10895	7.8
159.08055	5.4
159.11693	43.7
161.09613	11.3
161.13229	8.3
163.11159	2.1
165.06992	10.4
166.07784	3.0
167.08545	10.7
168.09317	8.3
169.10121	25.8
170.10939	14.7
171.11696	33.8
172.08847	5.6
172.12517	3.9
173.09587	9.0
173.13275	12.9
175.11176	7.4
175.14796	3.3
177.12672	2.6
179.08551	12.9
180.09311	8.8
181.10149	24.6
182.10883	8.6
183.11700	39.1
184.12476	5.0
185.09576	4.0
185.13251	26.9
187.11198	20.8
187.12671	2.6
187.13225	2.7
187.14754	20.8
189.12770	5.2
191.08578	2.0
191.14313	2.5
192.09245	4.7
193.10104	19.3
194.10938	12.2
195.11717	36.6
196.12503	11.9
197.09718	2.5
197.13264	22.1
198.14041	4.5
199.11121	4.7
199.14792	8.1
201.12762	5.1
203.05290	4.4
203.14410	4.4
204.09349	2.2
205.10126	4.5
205.15871	10.7
206.10893	9.2
207.11719	29.6
208.12482	15.5
209.09776	2.3
209.13235	32.3
210.14066	6.3
211.11224	5.2
211.14798	13.0
213.12695	14.9
213.16354	2.3
217.10112	5.2
217.15984	2.8
218.10876	3.2
219.11671	8.8
220.12483	7.6
221.13228	24.7
222.13972	8.3
223.11250	2.7
223.14845	27.6
224.11827	2.6
224.15637	4.3
225.12791	7.5
225.16429	4.9
227.14368	2.8
230.10870	3.1
231.11708	5.5
232.12520	4.8
233.13210	12.7
234.13988	7.0
235.14856	15.2
236.15651	6.0
237.12735	2.9
237.16359	13.9
238.17122	2.6
239.14246	5.6
239.17886	3.9
241.15935	7.2
243.11569	3.5
244.12727	2.3
245.13258	4.2
247.14813	9.2
248.15500	4.8
249.16254	15.4
250.17168	2.3
251.14267	4.5
251.17964	17.0
253.15862	4.0
253.19647	2.6
255.17416	3.3
256.18301	2.1
258.14063	2.8
259.14832	6.3
261.16397	6.3
262.17160	3.1
263.14200	3.2
263.18042	16.1
264.18832	5.4
265.15976	5.7
265.19476	6.5
267.17468	10.8
269.12689	2.4
269.19055	6.7
273.16376	3.4
274.16995	2.9
275.17770	3.3
277.15948	4.6
277.19485	3.7
279.17438	2.9
281.18933	7.2
282.19702	4.7
287.17929	2.5
289.19571	5.2
291.17261	11.1
299.17856	2.5
305.19104	2.5
306.19885	2.7
307.20255	2.2
309.18619	4.7
317.18842	4.8
319.24197	3.6
329.22610	6.2
347.23746	34.9
365.10544	8.3
365.24747	100.0
365.32230	4.7
366.25046	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.4
56.96556	3.2
57.03425	4.6
59.04981	3.4
67.05502	20.3
69.03419	8.1
69.07063	16.8
70.48714	5.5
70.49065	10.5
79.05482	17.1
81.07050	26.2
85.06541	4.0
91.05473	31.2
93.07045	33.3
95.04964	27.6
95.08603	17.8
95.77624	3.4
97.06541	5.1
105.07027	47.0
107.08585	28.4
109.06498	10.7
109.10167	19.9
115.05505	3.9
117.07003	13.6
119.08553	37.2
121.06477	7.1
121.10137	25.2
123.08054	3.9
123.11710	4.7
125.74501	3.3
128.06212	6.7
129.06998	12.2
130.07776	3.8
131.08560	23.4
133.10150	21.0
135.08018	8.2
141.07019	7.0
142.07776	10.3
143.08546	30.7
144.09308	3.9
145.10112	29.7
147.07999	5.5
147.11705	13.6
149.09572	8.7
155.08554	13.9
156.09372	10.9
157.10135	27.7
159.08038	5.6
159.11710	20.6
161.09587	11.8
161.13336	3.7
165.07024	5.8
167.08560	11.1
168.09337	6.8
169.10110	23.6
170.10916	6.7
171.11668	17.6
173.13274	28.8
175.11154	5.8
179.08517	10.0
180.09348	6.0
181.10091	15.6
182.10841	7.8
183.11676	18.6
185.09709	5.0
185.13254	10.2
186.10516	5.1
187.14845	5.9
189.12816	7.2
191.14287	11.1
193.10129	14.8
194.10957	8.4
195.11679	17.0
197.13243	14.7
199.11188	3.9
199.14737	3.8
201.12784	5.5
203.05281	7.5
206.10915	5.3
207.11674	20.2
208.12456	6.9
209.13240	10.5
210.10489	4.3
210.14111	6.2
211.11165	4.3
211.14815	8.9
221.13239	12.5
223.14735	5.0
225.12726	4.5
227.14276	6.8
233.13268	6.7
234.14142	5.1
237.16373	8.6
241.16084	3.5
247.14891	6.8
249.16411	9.3
251.14351	4.7
251.17963	5.2
253.15831	6.2
263.17914	8.3
267.17334	6.1
275.17682	3.6
281.19031	4.6
291.17331	7.2
311.64102	4.2
329.22418	4.3
337.25159	5.5
347.23395	23.8
365.10446	19.6
365.24728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46701	2.5
55.05502	12.7
57.07059	5.4
57.66838	2.3
61.02922	3.8
67.05503	25.2
69.03416	7.5
69.07066	12.3
70.67504	8.1
76.74927	2.3
77.66126	2.7
79.05495	22.5
81.07043	29.3
83.04960	6.4
83.08595	7.6
85.02914	3.5
85.06540	4.5
89.70245	2.6
91.03969	2.5
91.05470	37.0
91.24272	2.4
93.07045	43.7
95.04967	40.2
95.08601	26.3
97.02863	2.8
97.06525	6.8
105.06364	4.5
105.07029	47.3
107.08602	30.7
109.06521	9.7
109.10131	17.3
115.05457	4.7
117.06995	11.8
119.08579	41.4
121.06533	2.6
121.10149	29.0
123.08025	6.8
123.11700	4.7
128.06215	6.8
129.06961	14.0
130.07750	4.1
131.08554	28.8
133.10161	20.3
135.08032	8.8
135.11682	5.6
137.66676	2.9
141.06946	6.2
142.07751	10.6
143.08554	24.3
144.09297	6.1
145.10126	32.4
145.11154	4.3
147.08040	7.4
147.11671	12.0
149.09596	7.9
149.13252	3.7
154.07718	3.1
155.08495	14.9
156.09319	10.0
157.10130	30.5
158.10811	2.9
159.08041	6.1
159.11670	15.6
161.09659	13.1
161.13246	7.6
163.98766	5.4
165.06995	4.7
167.08549	6.9
168.09322	6.7
169.10078	17.8
169.35852	2.7
170.10933	5.1
171.11717	17.3
173.09645	7.2
173.13248	32.3
175.11128	3.9
178.07742	3.2
179.08569	7.6
181.10052	15.6
182.10889	7.2
183.11690	23.0
184.12439	3.9
185.13304	13.4
189.12808	4.2
191.14253	18.7
192.09361	4.2
193.08502	2.6
193.10130	13.7
194.10960	6.6
195.11642	14.9
196.12410	3.9
197.09647	3.6
197.13289	13.6
198.13983	4.3
199.11238	4.2
199.14816	7.9
201.12750	8.9
203.05150	3.7
206.10881	5.9
207.11734	19.0
208.12425	7.0
209.13243	15.9
209.52727	2.7
211.11139	3.5
211.14832	10.0
213.12820	4.0
215.14357	3.9
216.15260	3.0
217.15927	3.7
219.11700	6.4
220.12411	5.3
221.13208	14.4
222.13977	4.1
223.11281	4.8
223.14864	9.7
225.12703	5.8
225.16460	4.7
227.14287	2.7
232.12535	3.1
233.13252	7.2
235.14851	6.9
237.16486	8.1
239.14345	4.4
241.15784	3.1
244.12411	2.7
247.14799	8.2
248.15654	3.0
249.12631	3.3
249.16449	14.8
251.17906	2.8
253.15973	4.6
261.16287	3.6
263.17798	12.3
264.18875	3.5
267.17307	4.2
269.19043	4.3
273.21964	4.1
277.19348	3.0
279.17517	3.1
281.19025	4.2
282.19788	3.4
289.19473	4.1
291.17456	5.8
309.18524	3.0
321.22281	4.1
332.15378	3.1
347.23727	29.2
365.10321	6.1
365.24707	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.7
55.96935	5.1
56.61883	5.3
56.96554	5.4
57.07068	7.9
59.04982	5.9
67.05509	26.6
69.03431	6.5
69.07059	18.7
69.28375	38.0
69.28793	13.8
79.05476	25.0
81.07056	27.6
83.04971	6.3
83.08614	6.8
85.06541	5.9
91.05482	28.1
93.07047	32.6
95.04964	35.0
95.08617	25.9
97.06518	7.1
100.83527	4.5
103.34176	4.1
105.07024	44.4
107.08602	29.6
109.06493	8.3
109.10152	19.8
117.06996	12.8
119.08566	41.1
121.10133	33.0
123.08032	6.4
123.11671	6.4
128.06267	7.7
129.07031	12.3
130.07805	4.5
131.08572	22.9
133.10133	20.6
135.08058	12.6
141.06970	8.0
142.07785	13.5
143.08572	21.7
145.10129	25.2
147.08034	12.4
147.11700	11.5
155.08539	11.1
156.09267	9.6
157.10104	34.7
158.10896	7.8
159.11668	18.7
161.09639	12.3
165.07039	5.8
166.07719	6.5
167.08536	10.2
168.09305	5.5
169.10100	15.3
170.10950	8.0
171.11702	16.8
173.09599	12.2
173.13213	11.5
175.11195	6.2
179.08661	6.7
180.09436	6.2
181.10114	8.1
182.10962	8.3
183.11589	23.4
185.04112	7.0
185.13232	10.4
187.11118	7.1
189.12711	6.1
192.09300	8.1
193.10117	15.8
194.10889	8.7
195.11670	22.9
197.13293	19.4
199.14854	10.6
203.05296	13.8
207.11697	19.7
208.12483	11.1
209.13226	20.0
211.14774	11.1
219.11749	8.4
220.12511	7.1
221.13261	14.2
223.14803	11.2
225.12753	10.9
227.14447	6.0
232.12424	8.3
233.13336	7.9
235.14792	13.9
237.16362	10.0
247.14838	11.6
249.16391	14.6
251.17924	7.7
258.14047	7.1
261.12851	5.9
261.16241	6.2
263.14355	5.6
263.17816	10.1
265.15839	11.8
267.17529	7.3
269.18906	5.0
277.19940	5.2
281.19141	6.8
289.19427	5.9
291.17413	12.6
319.24222	6.0
337.25366	6.6
347.23669	33.0
365.10501	24.4
365.24765	100.0
365.31845	6.8
383.73328	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01870	8.6
55.05508	29.9
56.96564	1.9
57.03447	9.3
61.71505	1.0
67.05502	36.6
68.61269	1.3
69.03426	14.9
69.07068	37.7
70.39420	3.7
71.04984	2.3
74.64487	1.3
79.05063	1.7
79.05491	30.3
81.03416	6.1
81.07053	28.8
83.04967	6.6
83.08615	11.9
85.54605	1.2
91.05476	17.6
93.07043	23.2
95.04972	10.5
95.08598	15.0
97.02879	16.7
97.06523	4.2
97.10179	17.6
105.07035	16.7
105.17082	1.1
107.04938	9.0
107.08588	16.5
109.06488	5.1
109.10151	13.3
111.04423	1.8
111.08055	3.3
117.07014	9.7
119.08583	15.6
121.06477	3.1
121.10123	6.3
123.08073	5.4
125.05940	1.0
125.09631	11.9
127.18402	1.0
129.06978	3.5
131.08578	9.2
133.06483	4.5
133.10139	7.7
135.08026	6.7
135.11674	4.4
137.09598	3.7
141.06976	1.2
143.08534	2.4
145.10133	7.0
147.08080	5.6
147.11655	3.2
149.09645	3.2
149.13242	3.4
151.11166	2.9
155.08577	1.3
157.10114	3.4
159.08015	1.7
159.11679	4.6
161.09615	3.3
161.13243	1.7
162.10388	1.3
165.09120	3.9
171.11644	1.4
175.11191	2.5
177.09016	1.4
177.12773	2.1
181.10077	1.2
187.11176	1.2
189.11215	7.5
189.12685	1.5
195.13730	1.3
205.12201	2.9
221.08026	1.1
223.13289	36.5
227.12849	1.8
227.17992	1.5
245.19003	2.6
255.17496	1.7
263.19958	3.1
273.18494	18.1
291.19528	100.0
292.19818	1.2
347.22147	3.0
347.25928	2.4
365.10550	5.3
365.23157	65.6
365.27008	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01877	9.9
55.05261	2.3
55.05511	35.8
56.96563	31.9
57.03433	19.1
57.07065	3.1
61.02914	7.2
65.03946	2.1
67.05504	43.3
67.45100	1.8
69.03432	16.5
69.07066	46.4
69.58013	11.7
70.23451	1.7
71.04990	3.6
71.95252	1.8
73.02903	4.3
79.05492	37.9
81.03414	9.8
81.07060	44.5
83.04962	9.6
83.08619	13.8
85.02922	3.6
85.06534	4.8
86.30211	1.7
91.03963	3.3
91.05484	34.6
93.07040	37.7
95.04976	16.7
95.08602	21.9
97.02892	19.2
97.06528	5.5
97.10161	17.2
98.20777	2.3
98.97577	3.2
105.07021	26.2
107.04945	17.5
107.08582	28.7
109.06515	12.3
109.10153	14.3
111.08076	6.0
113.05972	2.2
115.05457	2.7
116.98647	3.5
117.07011	13.5
119.08593	18.0
121.06519	6.0
121.10139	14.7
123.04491	2.1
123.08060	7.6
123.11733	2.9
125.06101	2.9
125.09625	16.9
127.03956	3.9
127.07523	3.3
129.06993	4.6
131.08588	16.3
133.01822	2.0
133.06488	6.0
133.10118	15.2
135.08011	10.3
135.11676	8.8
137.09608	6.6
139.11246	2.3
143.08566	5.2
145.10136	9.4
146.99658	2.5
147.08035	10.6
147.11693	5.9
149.01202	3.0
149.09641	6.2
149.13235	3.6
151.11206	5.5
153.09161	3.1
157.10138	5.4
158.10767	1.7
159.11690	6.2
159.44951	1.9
161.02950	3.9
161.09615	7.1
161.13251	3.0
165.09117	2.7
171.11722	4.5
173.04759	1.8
173.13263	2.9
175.11186	4.5
177.00662	2.8
177.12746	4.9
185.13199	2.2
189.11200	8.9
195.13762	2.8
196.90192	2.1
197.04930	2.3
199.06393	4.3
203.05734	4.1
203.11009	4.1
209.13306	2.1
212.61687	2.2
213.07932	3.5
217.07521	12.3
217.15892	2.2
223.13258	27.0
227.05905	1.9
227.09483	2.0
227.17976	2.1
229.07439	3.0
231.09039	4.4
241.07454	2.6
243.09302	3.1
245.05005	1.9
245.18996	5.5
251.09444	3.4
255.09059	5.2
255.17506	3.0
259.08502	8.4
263.20013	4.3
269.10522	31.0
273.10110	7.2
273.18506	28.4
281.12378	2.3
284.13602	8.4
284.63696	3.3
287.11618	17.1
291.19528	100.0
292.12329	2.5
295.12097	15.2
313.13126	8.3
318.13638	2.6
347.15280	2.4
347.22324	4.1
349.18268	1.9
365.10596	5.9
365.16388	17.6
365.23215	51.0
383.17438	14.9
384.17944	2.2
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	Unknow
Peak:m/z	Relative Intensity
55.01860	7.1
55.05511	33.9
56.96562	15.2
57.03430	11.6
61.02922	2.8
67.05499	35.9
69.03440	13.4
69.07064	42.9
71.59468	3.4
72.69341	2.2
73.02871	2.5
79.05489	29.8
81.03421	7.3
81.07056	30.5
83.04993	5.3
83.08627	12.7
91.05482	17.8
93.07032	20.8
95.04967	8.5
95.08633	16.7
97.02884	16.8
97.06544	4.1
97.10162	18.5
98.97600	3.3
103.70057	2.3
105.07025	18.2
107.04933	7.3
107.08592	21.0
109.06518	3.8
109.10166	16.4
111.08068	3.3
116.98607	2.7
117.07009	9.6
119.08562	13.7
121.06456	4.2
121.10130	10.1
123.08089	4.5
125.09643	13.0
131.08568	10.3
133.06499	3.6
133.10115	7.1
135.08049	5.6
135.11676	2.9
137.09552	6.0
143.08522	4.4
145.10143	9.2
147.08009	6.5
147.11687	4.0
149.13269	4.0
152.00304	2.1
152.24481	2.5
157.10138	2.9
159.11731	5.7
161.01137	2.6
161.09622	4.3
172.79352	2.3
175.11076	4.0
177.12669	2.4
189.11237	10.1
195.13783	3.1
203.05490	5.4
223.13306	30.7
227.17804	2.6
229.07423	3.6
247.08517	3.8
267.09073	5.6
273.18512	18.3
284.12766	9.3
284.62814	3.6
285.10110	18.0
291.19519	100.0
292.19788	2.6
303.11163	3.7
354.18790	7.3
365.10403	11.1
365.15732	5.1
365.19049	4.7
365.23148	74.7
365.65381	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	365.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05507	5.7
56.96569	15.9
57.03421	2.8
67.05502	7.8
69.03429	2.7
69.06777	0.9
69.07076	9.1
69.45976	9.7
71.08609	1.3
79.05496	7.2
81.03410	1.6
81.07082	6.4
83.04969	1.8
83.08606	1.9
85.06559	1.2
91.05452	5.6
93.07066	6.9
95.04973	2.6
95.08600	4.4
97.02880	2.1
97.10169	2.0
98.97589	1.9
105.07012	5.4
107.04960	3.0
107.08583	4.7
109.06540	1.2
109.10145	2.4
110.97675	1.0
112.18005	1.3
116.98668	1.2
117.06980	2.0
119.08578	4.7
121.10149	2.1
125.09628	2.4
126.58256	1.3
128.98495	1.2
131.08522	2.9
135.08055	1.8
135.11755	1.5
137.09587	1.7
139.00319	1.2
143.08475	1.2
145.10097	2.2
147.08110	1.5
149.01242	2.6
153.08961	1.1
157.10141	2.0
159.11647	1.8
160.27109	1.1
169.10123	1.1
173.82536	1.1
179.05937	1.3
185.04453	2.2
189.11229	1.5
199.06566	1.3
203.05470	4.8
211.06522	1.4
213.07962	4.3
217.07501	2.7
221.06912	1.5
223.13278	4.0
229.07474	5.1
231.09117	9.8
241.07541	5.6
243.09090	5.9
243.42845	1.2
247.08553	7.0
253.07686	1.6
259.08426	5.3
261.10114	4.5
271.08475	2.6
273.18610	2.2
284.12708	4.6
284.63052	1.7
285.10098	3.9
291.19522	14.2
301.09607	2.1
365.11099	5.9
365.16483	8.1
365.23026	100.0
366.23425	2.4
383.17252	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	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71086	0.5
53.03926	0.6
55.01871	0.8
55.05487	1.1
56.96548	0.9
57.03431	3.4
58.45574	0.7
67.05498	4.3
69.03409	0.7
69.07065	1.4
70.45918	1.2
70.46281	1.5
77.00881	0.7
79.05479	2.8
81.03412	0.7
81.07047	4.7
83.04989	1.1
83.08630	0.7
85.06531	2.4
91.05463	2.2
93.07056	3.2
95.04955	4.1
95.08586	1.6
97.06534	0.8
99.04405	0.6
105.07021	2.0
107.04961	1.4
107.08588	2.4
109.06531	4.4
109.10165	1.3
111.04446	0.8
113.06004	5.4
116.98607	0.7
117.07066	1.0
119.08564	1.7
121.06494	1.4
121.10092	1.0
129.07007	0.8
131.08578	1.4
135.08049	2.5
135.11653	0.9
143.08611	0.7
145.10136	1.1
157.10167	1.4
181.12303	0.7
193.12086	0.6
195.05135	0.6
209.06509	0.6
223.81723	0.7
231.10774	1.1
249.14673	1.1
267.14374	3.1
270.13052	1.1
273.18619	2.7
285.10135	0.7
285.15384	1.7
291.19550	4.7
315.17975	0.8
333.19177	2.0
341.05869	0.8
347.21960	1.3
365.22977	100.0
366.23294	2.2
383.22632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10920	0.6
51.38821	0.6
56.96547	2.2
57.92460	0.6
63.44251	0.6
63.64173	0.6
70.66327	1.4
70.66707	1.0
85.02888	0.8
88.91258	0.7
94.80853	0.6
98.97581	3.7
101.00822	0.7
116.98619	2.3
119.01923	2.8
119.54597	0.6
122.30242	0.6
124.95494	0.6
128.98621	1.1
131.01936	1.2
134.99652	1.4
142.96481	0.9
143.01840	0.7
145.03430	1.1
146.99683	2.1
148.63567	0.6
155.01945	1.1
160.97610	1.1
161.02971	2.2
165.00774	0.9
173.03001	2.3
174.99146	1.0
185.02887	2.1
185.04230	22.3
188.97101	2.3
189.00688	1.5
193.00188	1.4
197.03027	1.2
202.98672	1.5
203.05266	52.0
206.98192	2.0
207.01752	1.2
209.85213	0.7
215.04012	0.8
217.00137	0.7
219.01819	0.7
220.99695	0.9
230.98128	3.4
235.01315	1.4
244.99533	0.6
245.05119	5.2
248.99249	0.7
255.03963	0.6
263.00748	2.8
263.06186	1.8
278.44135	0.6
339.79990	0.6
349.62790	0.6
365.10559	100.0
366.11066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84893	0.5
57.88258	0.6
59.12699	0.5
70.66302	0.6
70.66659	1.9
97.63155	0.6
98.97556	1.3
110.72343	0.5
116.98607	0.6
131.86449	0.7
143.01895	0.8
161.02954	0.6
185.02580	0.7
185.04213	21.8
203.05264	46.9
230.98131	1.0
245.05051	1.6
365.10541	100.0
366.10809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67473	0.7
56.96558	1.1
70.29111	2.7
102.31332	0.7
119.01940	2.1
131.01910	1.2
142.01791	2.6
145.03462	1.2
155.02052	0.7
160.02864	3.1
160.59261	0.8
161.02988	2.3
162.48900	0.8
173.02985	2.0
179.76729	0.7
182.62383	0.9
185.02872	1.8
185.04240	19.7
185.05753	1.4
203.03474	5.2
203.05247	41.6
221.04424	5.5
230.59485	0.7
245.04855	7.7
263.06021	1.8
273.42395	0.8
275.05701	1.0
365.10666	100.0
366.10989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96564	52.5
59.45995	0.6
69.03419	1.7
69.07040	0.8
69.39945	5.9
70.06595	3.5
71.95289	0.8
72.08150	1.1
74.97601	1.2
81.03404	1.0
84.08131	2.1
84.78598	0.7
84.96033	7.4
85.02892	3.0
85.92769	0.7
86.09676	2.7
91.05477	1.3
93.07047	0.7
97.02880	2.0
98.21443	1.7
98.97582	26.8
99.04453	0.8
99.08044	0.9
102.97054	1.4
110.97561	6.0
112.99140	1.2
116.97809	1.5
116.98622	27.7
120.08084	1.0
120.98140	0.8
128.98611	16.2
129.10226	1.6
131.00166	2.9
134.99641	17.0
137.63574	0.7
140.00172	1.0
140.98604	1.2
143.00131	3.9
144.98085	0.7
146.99657	22.0
147.04338	0.8
149.01277	3.9
149.02258	0.8
153.00713	2.2
155.00037	0.7
158.99670	3.9
160.03546	0.8
161.01216	11.5
162.99158	2.0
163.65910	0.7
165.00731	5.1
167.02153	0.9
169.01776	1.0
170.99660	2.4
177.00723	8.0
177.02167	1.2
177.05399	0.9
179.02306	6.4
181.01758	1.4
185.04128	1.5
187.02802	2.9
189.00717	5.3
191.00113	0.9
195.01772	1.1
195.03302	5.5
201.00751	3.6
203.00200	1.4
203.05241	2.4
207.01785	1.9
209.01205	3.2
211.02666	2.0
211.05489	0.8
213.04332	26.2
215.13951	0.8
219.01752	13.3
221.01176	4.7
225.02878	0.8
231.05370	3.7
237.02815	35.8
239.02251	32.3
240.02774	1.2
249.00511	0.8
255.03799	4.6
257.03336	27.8
260.04419	1.4
261.04379	1.0
263.02304	2.8
275.02173	1.6
279.05444	1.4
280.04819	1.0
281.03333	3.3
289.68527	0.7
295.04773	1.6
305.03302	2.8
307.04929	1.9
317.03308	3.2
323.04376	1.0
335.04166	2.0
347.04547	0.8
365.05475	100.0
365.10229	5.9
366.05853	3.4
383.06534	20.4
384.06790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01856	1.4
55.05511	23.3
57.03423	0.8
57.07052	1.8
60.08144	2.7
65.03933	3.4
67.05502	54.1
69.03383	0.7
69.07066	21.8
71.04965	1.6
71.07352	0.6
71.08639	0.9
71.21606	1.1
73.02884	2.3
79.05491	32.1
81.07055	46.5
83.04948	1.5
83.08214	0.7
83.08620	7.8
85.06518	1.1
86.09710	1.0
91.05480	13.7
93.07043	37.1
95.04964	4.3
95.08603	31.0
97.06515	1.5
97.10157	2.8
99.04437	2.1
99.07994	0.7
105.07030	7.4
107.08592	18.6
109.06473	1.3
109.10149	10.9
111.08061	0.9
111.11691	0.7
113.05950	0.7
117.07005	1.6
119.08574	6.2
121.10139	14.1
123.08057	1.4
123.11679	2.5
131.08557	1.7
133.10101	3.5
135.08058	0.9
135.11676	6.3
145.10126	1.8
147.11670	2.5
149.13295	3.7
159.11697	1.1
161.13245	1.0
163.11154	0.8
163.14764	1.4
172.95222	0.8
173.13295	1.1
203.46652	0.7
305.24741	81.0
306.25003	1.6
311.24252	0.6
347.25595	0.7
355.79288	0.6
364.32083	100.0
365.10495	0.7
365.23132	1.0
365.32440	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.3
57.07063	4.4
58.61175	2.2
67.05487	8.8
69.07049	11.9
71.60470	3.9
75.70413	2.2
79.05488	5.9
81.07065	14.8
83.08596	3.3
84.17850	2.4
91.05452	2.5
93.07037	6.4
95.08585	12.0
105.06995	5.9
107.08592	7.1
108.85706	2.4
109.06496	11.2
109.10152	6.2
111.08049	3.0
119.08608	5.8
121.10137	5.5
123.08064	63.1
123.11702	3.1
135.08037	5.7
135.11632	4.7
137.09579	7.7
147.11646	3.6
150.11014	3.1
170.74429	2.8
179.14308	10.7
298.31711	2.5
307.22754	9.8
331.26324	6.3
363.28882	100.0
364.28949	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	364.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93149	3.4
53.02490	4.1
55.01873	5.7
55.05501	7.5
56.96558	12.3
57.03428	11.7
64.75150	3.5
67.05497	18.3
69.03417	7.3
69.07054	13.1
70.06582	7.3
70.86037	3.6
71.04986	7.2
71.59533	4.2
71.59944	6.3
73.40333	4.0
76.20502	3.8
79.05486	18.5
81.03416	7.8
81.07059	24.6
83.04961	4.2
83.08628	5.5
85.02890	13.3
85.06538	17.4
86.09689	9.9
91.05481	10.8
92.56943	3.8
93.07047	27.5
95.08604	40.7
97.02885	5.4
97.06525	100.0
98.06860	12.3
98.97574	4.6
105.07066	9.4
107.08575	25.1
109.10154	9.4
116.98615	5.3
117.07042	4.1
119.08598	9.6
120.08092	9.7
121.10145	17.2
123.11703	8.7
132.35135	3.9
134.99638	5.3
136.06227	5.1
149.13231	57.2
149.14336	4.8
159.11694	5.3
163.03928	12.8
164.04260	9.0
167.14316	50.5
173.02289	7.1
174.02812	4.9
180.10196	5.6
184.05804	4.8
185.15356	67.7
186.15685	4.2
203.05327	5.5
216.07338	11.6
221.12959	3.7
237.02875	5.5
259.09686	8.8
260.09961	28.4
283.08154	4.7
286.10397	5.2
365.10306	9.7
365.19281	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	363.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20419	2.1
55.05502	3.1
55.74524	2.1
56.93433	1.9
56.96558	3.1
57.03429	1.9
67.05497	2.7
71.29018	4.0
79.05496	3.6
81.07039	5.7
90.21825	2.2
93.07009	3.9
95.08580	2.7
105.07023	2.7
107.08549	2.3
110.47544	2.0
119.08565	4.3
137.05795	3.6
143.08604	2.6
145.30940	2.1
363.21414	100.0
363.33136	3.3
364.21704	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
50.95032	1.0
51.47014	1.0
56.96554	1.7
67.05505	1.1
69.07067	1.1
70.06636	1.1
70.46304	4.0
81.07033	2.4
93.07014	1.2
95.08602	1.8
105.06968	1.1
107.08581	1.1
109.06496	2.0
111.04220	1.7
119.08562	1.2
119.64350	1.2
131.08574	1.3
157.10088	1.3
171.96867	1.2
184.37921	1.1
275.16165	12.6
282.39059	1.1
301.29428	1.6
316.61630	1.0
326.58252	1.2
345.24319	2.5
363.21408	100.0
363.25150	4.3
363.33011	5.0
364.21790	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	363.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	21.1
55.05505	4.8
55.31770	1.3
57.07075	57.3
58.99582	3.8
62.99080	2.4
67.05505	10.7
69.07067	4.8
71.08228	2.3
71.08629	45.5
71.61688	1.8
73.02917	93.9
77.00632	5.5
79.05495	5.3
81.07055	13.1
83.08611	1.5
85.10177	28.3
89.06013	5.8
91.05476	5.4
93.07053	5.4
95.04967	2.4
95.08598	10.3
97.06516	1.6
97.10174	2.0
99.11747	5.2
103.14979	1.3
105.00089	100.0
105.07007	4.1
107.08598	5.6
107.91920	1.5
109.10157	3.2
113.13245	2.2
119.08614	4.2
121.10165	4.2
123.01125	4.2
127.14828	2.1
127.69435	1.3
131.08585	3.0
133.10127	3.3
135.11707	2.1
143.08624	1.5
145.10120	2.7
146.02699	1.6
147.11662	2.8
159.11612	1.9
161.13206	1.9
162.90845	1.1
169.19594	1.9
177.02171	17.8
179.14471	1.2
195.03369	1.5
241.21693	1.8
261.34814	1.3
289.18097	1.5
345.27948	5.0
349.80255	1.4
363.29126	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	363.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.8
57.03429	6.1
69.03419	6.6
71.10882	6.6
74.95586	3.9
85.02899	14.4
97.02879	6.9
98.97601	8.9
112.89635	5.2
114.89291	5.0
116.21041	4.4
116.98605	6.1
119.01862	6.8
145.03555	4.1
166.00854	4.2
177.00725	8.5
191.03934	8.3
200.04407	18.5
200.54604	9.4
215.00813	4.3
216.11259	5.7
219.01782	8.2
281.57440	5.2
363.06827	100.0
363.10617	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	363.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	15.4
67.05476	3.5
69.40804	8.2
69.41208	29.7
78.68864	4.0
81.07041	9.4
85.06547	6.9
91.05470	4.4
93.07057	5.0
102.06783	3.4
105.07058	4.2
109.06489	6.2
117.07118	4.0
122.47841	4.2
135.08057	7.0
149.05956	6.2
149.09532	4.7
172.95222	5.3
177.09117	5.9
198.19104	4.4
251.99951	4.0
261.18494	100.0
261.21191	5.7
363.19287	15.9
363.26495	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	362.2664
Annotation	U-75302
Peak:m/z	Relative Intensity
54.72056	0.4
59.72822	0.5
67.05533	0.4
69.07082	0.5
69.71068	0.9
69.71460	2.8
71.12589	0.4
78.37507	0.4
84.08105	0.4
91.05454	0.5
107.60271	0.4
149.56760	0.5
208.16505	0.5
255.53825	0.4
290.58972	0.5
340.98563	0.4
362.26645	100.0
363.21646	2.1
363.26978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12468	0.8
56.85746	1.0
56.96553	1.1
69.84303	4.7
70.06599	1.1
81.07047	1.3
110.36755	0.8
151.12914	0.9
177.35564	1.0
181.26393	0.9
202.47270	0.8
205.57205	0.8
321.48227	1.0
362.26630	100.0
363.26852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.0
55.05469	0.7
56.96527	1.0
61.95116	0.5
67.05515	2.8
69.03407	1.1
69.07046	2.8
69.47535	1.0
69.47940	4.0
77.06973	0.5
78.72866	0.5
79.05495	11.4
81.03421	7.9
81.07041	1.3
83.64228	0.7
91.05478	4.0
93.03388	0.6
93.07061	3.9
95.04970	5.5
95.08546	0.7
97.06478	1.8
105.07021	4.7
107.04903	0.7
107.08596	10.1
109.06515	0.9
115.05445	0.5
117.06981	1.7
119.08570	2.9
120.08144	0.7
121.02856	2.9
121.06523	6.7
123.08015	0.6
129.06979	1.6
131.04881	0.6
131.08492	2.1
133.06448	1.2
133.10107	3.4
136.81123	0.5
138.52780	0.6
141.06926	1.1
143.08521	4.3
145.06424	2.4
145.10071	2.4
147.04384	0.8
147.08096	1.1
149.05940	3.0
153.06894	0.6
155.08507	1.6
157.06519	0.7
157.10083	2.8
159.08022	3.7
159.11655	1.1
160.08485	0.6
161.05986	15.0
161.09625	23.5
162.09930	0.6
163.95845	0.6
165.06956	0.8
167.07254	0.9
167.08505	3.6
169.10051	2.0
171.08006	1.6
173.09547	0.9
175.07474	0.7
177.09081	1.1
181.10080	1.0
183.08017	1.1
185.09607	4.6
187.11073	1.3
197.09480	0.9
197.13309	0.7
203.10594	1.0
205.08563	0.8
207.11646	2.5
209.09642	0.7
211.11162	1.9
225.12703	4.6
231.10060	1.4
235.11197	3.4
237.08987	0.6
237.12656	2.6
249.11206	5.1
253.12253	5.3
255.13753	1.2
271.13287	12.8
281.11731	4.8
295.11707	1.4
299.12790	18.4
300.13037	0.7
317.13837	100.0
318.14258	4.0
345.07019	0.6
345.13309	2.3
362.15988	22.8
363.16406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01867	5.2
55.05494	4.9
56.96552	5.1
57.03410	3.2
65.03940	3.5
67.05494	3.6
67.63475	1.9
69.03429	3.3
69.07047	3.9
70.06577	7.7
70.74834	5.3
71.63876	1.7
72.08149	3.8
74.06063	1.7
76.03999	1.7
76.62247	1.6
77.03910	2.5
78.04721	2.2
79.05498	21.5
81.03401	5.0
81.07035	6.7
83.05002	2.1
83.08636	2.9
84.04506	4.9
84.08159	11.0
85.02909	3.8
86.09702	18.2
87.10027	2.3
91.05479	44.9
93.07058	16.2
95.04955	15.1
95.08627	2.6
97.02874	3.9
98.97570	6.5
103.05463	34.0
105.07033	16.8
107.04955	100.0
107.08612	3.0
108.05270	2.8
109.06504	4.9
111.04409	2.6
112.07578	2.5
115.05429	11.7
116.98598	4.6
117.07004	7.4
119.04929	10.5
119.08562	5.7
120.05732	4.3
121.06496	21.0
122.03634	3.9
123.04433	7.0
123.08048	3.1
124.05216	4.4
128.06224	7.7
128.98546	3.0
129.06998	23.2
129.10207	6.3
131.04929	16.6
131.08546	9.6
132.10332	1.8
133.02887	9.0
133.06471	8.3
134.03583	2.2
134.99695	4.4
135.04391	5.5
135.08034	18.2
136.03883	2.8
137.05981	34.3
138.06734	2.2
141.06976	3.2
142.03223	5.2
143.08525	2.2
144.05696	2.2
145.06471	8.4
145.07483	2.1
146.03630	2.0
146.07230	4.8
146.99631	2.9
147.04425	9.6
147.08124	3.9
148.05161	5.1
149.06020	10.3
149.09590	2.0
150.06705	2.0
151.03830	5.4
151.07526	20.1
152.04651	3.2
153.05496	11.6
155.07060	2.7
155.08504	3.1
157.06480	13.5
157.13370	6.3
159.08060	3.9
161.05981	68.0
161.09631	13.4
163.03923	8.9
163.07545	81.0
164.07941	2.2
165.05457	21.1
165.06961	9.8
165.09145	4.9
166.06232	7.5
167.07051	49.0
167.08473	3.4
169.06485	4.7
171.08055	2.2
174.06737	9.1
175.07520	6.0
175.11063	2.0
177.00774	3.3
177.05545	2.0
177.09096	7.6
179.07014	15.7
179.08528	5.7
180.07816	37.2
180.09354	2.7
181.05063	2.5
181.06735	3.4
181.08588	77.7
181.10179	4.0
182.07188	3.7
184.11612	2.5
189.09100	71.6
191.08522	3.1
191.10597	3.7
193.06367	2.8
194.07281	5.7
195.08025	8.2
197.05975	3.6
197.09541	7.3
199.07635	3.0
207.08168	3.8
207.10109	24.1
208.08752	2.7
210.06769	3.2
211.07468	4.8
212.08281	3.3
219.07925	3.7
221.05922	3.5
223.07541	6.3
223.11172	3.2
224.08221	2.5
225.05418	4.4
225.09052	10.9
227.07034	4.3
235.07538	2.5
236.08234	5.8
237.02864	5.2
237.05298	2.8
239.07031	4.9
240.07707	3.4
241.08592	3.6
251.06937	3.8
251.10675	5.1
253.08643	10.5
254.09151	2.3
255.10240	5.1
257.11713	11.6
265.08408	3.1
267.10190	2.4
268.07315	2.7
269.08054	3.1
269.11816	2.4
271.13385	2.3
279.10214	4.5
283.09653	8.2
283.13266	4.9
284.10358	2.5
285.07886	2.7
285.11133	16.9
293.09064	6.7
297.11200	2.7
299.12674	3.2
301.11722	2.3
311.12997	4.1
315.12268	12.1
317.13861	10.2
328.13440	1.9
329.13931	4.6
331.15262	2.3
337.11874	3.6
343.15356	5.0
352.69638	2.4
361.08920	12.1
361.16171	4.0
364.38885	2.1
377.32199	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56848	1.6
53.03942	5.0
53.23524	1.5
55.01863	4.4
55.05474	1.8
56.96552	2.0
61.80086	1.6
65.03936	1.6
65.85830	1.6
66.40642	1.6
67.05478	2.7
68.32354	1.8
69.03407	3.8
70.06574	4.7
70.19418	1.8
71.59014	3.2
72.08150	3.7
78.04696	3.4
79.05492	17.1
81.03429	2.4
81.07054	4.3
83.04984	2.0
83.08584	3.0
84.08122	1.9
85.02898	3.8
86.09711	5.5
88.52309	1.9
91.05485	28.6
93.07040	13.9
94.91631	2.0
95.04968	10.9
95.08591	2.4
97.02856	3.2
98.97626	2.8
103.05476	21.3
105.07025	14.4
107.04954	47.5
107.08606	2.5
109.02868	3.1
109.06494	2.5
111.04488	2.5
115.05450	6.9
117.07033	4.7
119.04948	10.4
119.08592	3.1
120.05727	3.9
120.08124	5.4
121.06509	24.2
123.04436	8.8
123.08097	2.7
124.05204	4.9
125.05977	4.6
127.03902	2.3
128.06200	8.7
128.98650	2.1
129.07004	34.8
129.10214	2.5
131.04926	12.4
131.08572	12.4
133.02858	5.9
133.06502	6.6
133.10141	3.1
135.04385	5.0
135.08064	10.3
136.05223	3.3
137.05975	27.2
140.04619	1.7
141.07008	2.3
144.05685	2.3
145.06464	7.7
146.07245	3.5
147.04437	4.9
147.08046	4.1
148.05162	6.9
149.05977	10.8
151.03874	4.2
151.07539	18.3
152.04723	2.7
153.05478	15.6
153.06677	2.3
157.06520	16.9
158.02722	2.1
158.07239	2.2
159.08032	4.5
161.05975	54.6
161.09608	12.3
163.07536	43.1
163.08781	3.3
165.05495	8.7
165.06990	10.1
165.09169	8.2
166.06279	10.4
167.05614	3.4
167.07056	64.4
167.08559	6.5
169.06519	2.8
169.10089	2.2
171.07996	2.3
173.06039	3.4
174.06746	14.1
175.07614	11.3
177.05521	4.0
177.09081	8.9
179.06992	12.8
179.08623	6.5
179.10661	3.2
180.07805	11.2
180.09161	2.0
181.05054	3.6
181.06615	5.2
181.08597	100.0
182.07214	6.6
182.08722	1.9
183.08104	4.4
187.07576	3.0
189.09100	93.7
190.07849	2.8
190.09439	3.1
191.08585	3.5
191.10684	3.9
193.06541	4.2
193.10301	1.7
194.07210	3.9
195.08047	11.9
197.09625	10.9
197.11522	3.8
199.07457	2.8
199.12282	3.6
200.09415	2.4
207.08347	2.5
207.10173	18.2
208.08841	5.8
209.05914	1.8
209.09628	1.9
210.06752	6.1
211.07532	4.7
211.11198	2.3
213.08975	2.1
217.07478	3.2
219.08093	3.5
221.05983	7.1
222.06706	2.5
223.07495	7.9
223.11128	3.5
224.08437	3.1
225.05598	3.3
225.09073	15.1
227.07074	7.6
229.12234	2.4
236.08383	4.0
237.09082	4.2
239.06993	5.6
239.10626	2.5
240.07835	6.5
241.08420	3.2
242.09601	2.0
247.07474	2.5
250.06163	1.6
251.07065	7.1
251.10684	7.0
253.08545	13.6
254.09254	2.2
255.06511	4.3
255.10809	2.9
257.08011	4.2
257.11746	16.9
265.08731	2.4
267.10101	3.3
268.07281	3.7
269.08032	3.7
270.08789	3.6
271.13312	3.8
273.12250	5.4
279.10144	4.6
281.08054	3.1
283.09750	13.2
283.13309	9.1
285.08029	3.8
285.11221	35.9
296.10187	2.0
297.11230	3.7
299.09164	3.0
299.12698	5.5
300.10022	2.0
301.11737	8.8
302.11652	4.0
311.12766	7.4
315.12302	17.9
317.13876	20.0
329.13989	4.8
331.15402	3.0
333.14429	1.9
343.15424	7.7
361.14200	3.2
361.16309	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	361.1281
Annotation	Gibberellin A59
Peak:m/z	Relative Intensity
55.01868	2.0
55.05519	1.0
56.96545	1.6
65.03912	1.3
65.29891	0.9
67.05494	1.4
69.03434	0.9
69.07066	0.9
70.06591	1.3
71.06374	2.1
77.84597	0.8
79.05480	3.4
81.07050	2.6
85.02892	1.6
86.09704	3.2
87.10040	0.9
89.79495	0.8
91.05468	7.0
93.07044	1.2
94.04161	2.4
95.04952	3.2
95.27147	0.7
97.02856	1.1
98.97658	0.9
103.05463	3.0
105.07027	3.9
105.85861	0.8
107.04948	10.7
109.06509	3.0
110.03631	0.9
111.04423	3.0
115.05449	12.0
116.98614	0.9
117.07014	1.6
119.04938	3.1
121.06507	7.7
122.03654	6.5
123.04456	1.9
125.06006	2.1
128.06201	1.6
129.07008	1.6
131.04948	6.0
131.08553	2.4
131.19235	0.8
134.03665	1.1
135.04451	1.6
135.08055	1.4
137.05975	100.0
138.06351	1.3
143.04916	6.6
143.08598	1.5
145.06451	1.1
145.10110	3.7
147.08037	1.8
147.11690	1.3
149.05951	5.5
151.03889	2.4
151.07533	3.5
152.06238	1.7
153.05479	4.1
153.06982	7.8
155.08549	1.0
157.06509	2.4
159.04453	1.9
160.05135	1.8
161.05983	3.0
163.07532	5.2
165.07005	3.6
166.07736	1.2
167.07069	3.2
167.08588	4.2
169.06422	1.2
171.11745	1.0
173.05977	3.2
173.09680	1.2
175.07515	10.7
176.06181	1.0
177.05453	4.5
177.07002	4.3
178.07771	2.4
179.07076	1.8
179.08585	3.6
180.05730	1.0
181.04994	1.9
181.06493	8.6
181.08621	1.8
181.10092	1.3
182.07243	1.7
183.08089	2.3
189.07040	1.6
189.09109	3.6
191.07021	5.2
193.06534	2.6
194.07233	8.0
195.06549	1.0
195.08067	5.3
197.05992	2.1
198.06804	1.2
201.05473	2.1
202.12759	1.5
205.06482	19.5
206.07234	1.9
207.06343	2.0
207.08044	2.8
208.08878	1.1
209.04193	0.9
209.06004	3.9
209.09715	0.9
211.07491	4.2
213.09119	5.3
219.08099	2.5
221.05920	3.6
222.06734	13.5
223.07663	4.4
224.08157	1.2
225.05576	2.1
225.09036	1.3
226.09596	1.0
227.10771	1.0
233.05940	12.6
234.06769	3.8
235.07500	2.3
236.08333	1.5
237.02744	1.1
237.09125	23.9
238.06094	1.0
238.09395	1.2
239.07039	2.6
239.10713	1.4
240.07738	2.1
241.08568	4.6
243.10136	2.6
247.07529	3.6
248.08148	1.1
249.05513	1.6
250.06258	11.6
251.07016	2.4
252.07491	0.9
253.08543	2.5
254.09364	1.7
255.10156	5.5
257.11777	1.5
264.07599	1.2
265.08594	60.6
266.09280	3.1
267.06610	2.5
267.10123	1.8
268.07596	1.1
269.08206	1.7
269.11655	1.8
273.11227	1.3
278.05734	3.0
279.10214	2.1
281.08121	2.0
282.08817	3.0
283.09659	2.6
285.11301	2.0
287.12708	3.3
293.08093	12.0
297.11200	44.1
298.11523	1.4
299.09131	1.7
299.12766	3.2
301.10663	2.0
302.06717	0.9
307.09738	1.0
310.08353	2.2
311.12433	1.3
313.10654	1.2
315.12222	16.9
325.10699	12.2
328.12643	4.1
331.14966	2.9
336.21265	1.0
338.68164	1.0
343.11642	2.2
343.15002	3.7
357.18192	2.3
361.12698	10.3
361.21539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61946	1.2
56.96548	2.3
57.03429	1.2
69.03426	2.4
70.06568	2.1
70.95055	3.6
71.04979	1.1
72.08123	5.2
73.06541	1.3
84.08111	3.6
84.69929	1.2
85.02877	4.7
86.03216	1.2
91.05470	1.2
93.07037	1.3
98.97539	2.8
103.17385	1.1
106.87695	1.3
113.05791	1.2
114.49485	1.3
114.83635	1.2
116.98597	2.2
119.01919	2.3
129.10197	2.2
131.01836	1.3
132.93237	1.1
134.99577	2.0
136.07465	1.3
137.05937	2.0
137.87717	1.2
145.03375	1.2
149.06575	1.3
157.48212	1.3
159.07826	1.4
162.02046	1.4
173.06482	2.7
179.03371	2.0
183.91316	1.3
185.03975	1.3
185.06578	2.4
191.03799	1.1
191.07635	3.4
203.07637	2.5
203.13716	1.2
221.04977	2.7
237.02821	1.3
271.04160	1.5
275.10980	6.5
293.10684	5.7
299.11246	2.2
300.97525	1.2
317.12051	54.5
319.12299	1.5
335.11938	1.5
361.10913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00404	0.6
55.01856	0.6
55.05492	2.2
56.96562	24.4
57.03407	1.0
67.05496	1.0
69.03417	2.0
69.07056	0.9
70.06577	1.1
71.04976	0.8
71.60251	0.9
71.95242	1.2
74.97620	0.5
76.83042	0.5
79.05477	2.3
80.24323	0.5
81.03403	1.3
81.07058	2.6
83.04948	0.7
83.06076	0.8
83.08598	0.9
84.04482	1.1
84.08141	1.2
84.96027	10.0
85.02908	4.2
85.06513	1.2
86.09723	1.3
91.05472	3.0
93.07027	1.0
95.04944	1.2
95.08575	1.7
96.04468	0.9
97.02871	1.8
97.06503	0.6
97.96781	0.7
98.09686	0.8
98.97578	48.2
99.08083	1.2
99.67568	0.5
101.07142	1.5
102.97041	1.9
103.05426	0.7
105.07011	1.8
107.04966	4.0
107.08575	1.4
109.02879	1.6
109.10146	1.2
110.97562	9.8
111.08076	0.7
112.99145	1.3
116.10707	0.9
116.98617	39.6
117.07009	0.6
118.25860	0.5
119.08566	0.8
121.06511	1.7
121.10101	0.9
123.08109	1.0
123.09193	0.6
127.03929	0.6
128.06210	0.7
128.98604	22.5
128.99561	1.2
129.06966	1.3
131.00174	3.4
131.08513	1.0
133.06461	0.6
133.10133	0.7
134.99654	22.4
135.08028	0.7
137.05980	2.0
140.00252	0.6
140.98579	2.4
142.12367	0.6
143.00148	6.5
144.98059	3.5
145.06448	0.9
146.07143	0.6
146.98471	1.3
146.99644	22.6
147.07941	0.7
149.01263	2.9
149.05984	0.9
151.07515	1.5
152.00214	0.7
152.98602	4.1
153.00664	3.0
153.05469	1.1
155.11786	1.1
157.05360	1.4
157.06505	1.2
158.01257	1.1
158.99654	10.2
160.13322	1.1
161.01215	11.1
161.05994	3.9
161.09605	1.5
162.99139	5.9
163.07536	1.9
165.00714	3.0
165.05511	0.6
165.07048	0.8
166.06253	0.7
167.07033	4.1
170.01270	0.7
170.99651	10.0
171.04477	0.7
173.01189	1.9
173.04901	0.7
175.06380	2.7
177.00699	20.1
178.07907	0.6
179.02280	2.9
179.07048	0.8
181.00189	1.3
181.06644	0.6
181.06935	0.7
181.08582	5.2
181.13364	0.9
189.00705	8.9
189.09109	5.1
191.02272	1.2
195.01770	3.7
195.08037	0.9
199.06351	5.3
199.14439	5.7
200.02309	1.4
201.00679	2.7
203.05934	1.0
207.01671	0.8
207.10170	1.5
217.07446	4.1
219.01752	20.7
225.09119	1.1
227.05843	0.6
230.06255	1.2
237.02809	57.3
239.06891	0.8
241.07542	2.4
242.03400	1.2
253.07553	1.1
255.03902	6.1
257.11774	1.2
259.08392	0.8
260.04538	2.6
283.09726	0.6
283.13138	0.6
285.11084	1.1
301.09549	46.9
311.12601	0.8
315.12265	1.0
319.10626	100.0
320.10910	1.7
342.12192	6.9
343.12134	0.7
343.18564	0.6
347.13956	0.6
361.11673	25.2
361.15692	1.5
361.19907	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00021	1.8
50.57735	1.8
53.03922	2.2
53.65683	2.1
55.05518	4.6
61.43200	1.9
61.55419	1.7
67.05502	16.0
69.07066	6.8
70.15965	2.0
70.78277	4.0
70.78609	4.4
71.04996	9.8
79.05501	13.1
81.07068	12.8
83.08604	4.5
91.05476	6.3
93.07051	16.5
95.04984	3.4
95.08579	10.3
97.06539	4.0
97.10170	4.5
103.05449	2.1
105.07022	4.0
107.08620	10.7
109.10152	11.3
112.49072	2.0
117.07009	2.2
119.08587	3.5
119.46679	1.8
120.08106	100.0
121.10152	10.8
123.49241	2.1
125.09644	3.1
129.07054	3.3
131.08574	3.9
133.10124	6.6
145.10069	2.6
149.13306	2.4
153.12701	4.4
155.07375	2.1
159.11717	2.3
166.08649	38.1
173.11771	18.6
175.10753	3.5
188.24754	1.8
189.11235	4.3
195.13776	3.4
212.09518	1.9
222.82661	1.9
234.99791	3.0
275.20062	5.2
314.21170	9.8
367.22974	2.0
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
55.05498	20.8
55.67682	12.8
56.96553	27.2
66.86554	10.6
67.05492	72.5
69.07071	30.5
70.06566	16.7
70.09909	58.0
70.10265	20.0
71.04979	54.7
73.06532	15.3
73.59380	11.1
79.05485	54.5
81.03403	12.4
81.07048	39.9
83.08614	32.2
83.27171	11.1
91.05461	41.9
93.07045	85.5
95.08603	29.4
97.06556	14.6
97.10157	29.1
105.06998	22.2
107.08569	55.6
109.10126	39.9
119.08559	31.0
121.10132	51.9
122.89552	11.3
125.09641	19.2
131.08488	18.7
133.10104	16.5
134.99641	12.0
145.10123	21.6
153.12704	28.9
160.08293	19.1
173.11740	100.0
189.11220	27.2
275.20010	33.4
361.19653	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	361.1104
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
56.96562	2.4
69.03427	1.2
70.06052	2.4
70.06470	1.2
72.08153	2.5
74.21696	0.8
83.04942	0.8
84.04513	1.1
85.02923	2.0
86.09711	3.2
96.28293	0.7
97.02901	1.1
98.97584	1.1
104.44807	1.0
116.98603	1.5
117.63439	0.7
119.01891	1.1
122.72534	0.7
129.10214	1.0
131.02000	0.7
161.02977	1.5
161.09085	0.9
163.03825	1.0
164.04182	2.1
172.34421	0.8
173.02916	1.4
173.06718	0.8
173.12962	0.8
175.02791	1.6
175.04559	1.0
177.00726	1.0
193.03824	1.1
209.75780	0.8
227.05261	1.8
237.02919	1.0
257.09943	0.8
275.11081	7.6
293.10846	2.8
299.11002	1.6
316.93646	0.9
317.12067	36.6
336.52612	0.8
361.11026	100.0
361.14413	4.8
362.11356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	55.1
56.96579	14.3
59.04992	27.8
60.93732	9.2
67.05495	79.9
69.03429	19.8
69.07063	94.0
69.40504	100.0
70.26009	9.8
70.91058	10.3
71.04983	57.7
77.56023	8.9
79.05496	61.7
81.03445	11.5
81.07059	53.5
83.04980	21.8
83.08626	27.5
84.44556	9.0
85.06539	13.5
85.66315	11.9
91.05492	29.8
92.63545	12.1
93.07048	50.4
95.04963	32.5
95.08620	34.7
97.02893	13.8
97.06528	38.5
97.10167	35.9
105.07018	26.4
107.08600	40.7
109.06499	17.0
109.10151	25.7
115.07556	15.0
119.08582	18.7
121.10140	44.8
125.09624	31.9
131.08578	25.8
135.08134	10.0
135.11636	11.0
137.09634	16.3
145.10144	15.5
146.48409	9.9
153.12796	13.8
159.08099	19.0
159.11618	16.9
160.08488	12.2
161.09636	9.9
173.11725	37.3
174.10446	11.3
175.10822	25.2
189.11224	25.5
237.14925	10.1
275.19885	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	360.2128
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05508	7.8
56.05039	5.0
56.96556	2.4
58.18044	1.0
68.04980	0.9
69.03428	1.8
69.07067	2.5
70.06592	19.7
72.08157	92.7
73.08481	2.1
79.05485	1.9
84.04504	36.9
84.08138	4.6
84.96019	1.0
85.02903	6.5
85.04879	1.3
86.09705	100.0
87.10032	1.9
88.03951	1.1
91.05495	5.0
92.05806	1.1
94.65391	1.1
97.02903	1.4
98.21525	2.4
98.97550	2.5
102.05540	24.3
104.05312	3.5
107.04944	2.3
110.09672	2.1
116.07092	10.1
118.08659	11.9
119.04905	4.9
120.08064	2.7
124.11238	1.4
129.06621	2.3
129.10248	2.0
132.10211	44.4
135.04416	2.5
137.05969	4.6
138.06329	1.3
138.09149	11.6
145.02835	2.1
145.10339	1.0
147.04393	13.7
148.04825	1.1
151.03902	1.5
151.07562	1.4
152.07089	2.3
155.11766	3.1
156.10170	8.7
159.07967	2.3
160.08424	3.3
161.01256	1.1
163.03909	12.9
169.13362	4.3
170.11687	1.5
172.11598	1.6
174.10356	2.9
174.23492	0.9
175.10779	4.9
181.04942	4.0
183.11285	38.8
185.16472	7.0
189.68813	1.0
197.12822	7.2
198.07668	1.4
201.10498	2.2
201.12347	38.9
206.64139	1.0
211.10812	9.5
213.12381	1.5
213.16022	3.3
215.13913	16.4
217.13643	5.0
219.01723	1.3
225.12215	2.2
229.11813	13.4
229.13855	1.1
229.25551	1.4
229.27716	1.0
231.17123	1.6
237.00693	1.9
238.07666	1.3
243.13344	9.6
245.13043	2.1
261.14420	1.1
279.48831	1.3
280.12396	1.1
360.08331	2.1
361.08887	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	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.0
57.03437	8.5
59.55053	3.0
61.02921	6.8
66.17126	3.2
69.03427	30.2
70.06571	3.4
70.33068	7.4
70.33466	5.0
72.08184	4.3
82.32048	3.0
85.02906	100.0
86.09701	7.6
97.02890	31.9
99.04450	8.5
101.02399	6.8
109.02882	8.6
113.69684	3.8
115.03933	3.6
127.03927	63.2
145.04958	59.1
162.36691	3.7
163.03961	4.0
163.06012	15.2
165.73712	3.0
180.08655	4.6
209.16634	3.2
279.46890	3.5
376.65411	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	360.2128
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.01854	0.8
55.05498	1.2
56.05045	0.7
56.96556	0.8
67.05495	1.0
69.03413	1.2
69.07070	10.0
70.02937	1.0
70.06577	4.1
70.07507	1.1
70.07915	2.7
71.04985	0.7
72.08140	0.9
79.05475	0.9
81.07047	1.2
81.98481	0.6
84.08142	1.8
85.02902	1.7
85.04029	0.8
86.09704	82.8
87.10035	4.1
88.03487	0.8
88.03993	13.9
91.05457	2.0
96.08128	5.0
96.36005	0.6
98.02425	3.5
98.97583	2.3
105.07012	1.1
107.04967	1.0
110.09678	1.5
113.10750	1.5
116.07096	0.8
116.61707	0.7
116.98583	1.9
119.08594	0.8
120.08110	1.6
121.02868	0.8
121.06490	0.6
123.04403	0.7
127.03879	1.0
129.10223	1.1
131.04861	0.7
132.10182	5.0
133.06113	2.3
134.99652	1.1
135.07942	0.6
137.05943	2.0
138.09146	2.0
141.10231	11.4
142.08612	1.4
143.11803	0.7
155.11835	1.5
156.10204	17.4
161.05942	0.8
177.00732	0.9
181.04863	1.0
183.11284	4.6
184.09718	2.6
189.09065	0.8
189.12329	1.5
190.12711	1.2
200.09338	1.1
201.12335	100.0
202.12595	0.7
210.09814	0.7
213.10255	1.0
229.11827	15.1
237.09058	0.7
245.18501	1.0
253.08591	0.8
255.11217	1.3
273.12360	2.4
301.11887	1.4
314.11026	1.8
314.14697	1.8
333.14395	0.7
342.14117	1.9
360.15271	6.4
361.13782	2.0
370.40070	0.7
377.14966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01859	0.7
55.05482	0.8
56.05025	0.9
56.96556	1.5
57.03417	1.2
59.73358	0.6
60.04531	0.7
61.02917	1.8
62.05066	0.6
69.03435	4.5
69.07040	1.3
70.06591	6.0
70.94612	1.4
71.04992	0.9
72.08160	4.7
73.08474	0.7
77.72842	0.5
79.05503	1.5
81.03416	2.1
81.07097	0.6
83.20060	0.6
84.04533	2.8
84.08139	2.8
85.02908	14.1
86.09704	7.3
87.10045	1.0
89.03924	3.2
91.03961	0.8
91.05473	2.0
95.04916	0.7
97.02901	4.3
98.97594	1.2
99.04417	1.2
102.05529	1.4
107.04953	2.3
109.02845	1.8
110.07175	0.7
112.91765	0.5
116.98639	0.9
117.03368	5.8
118.08674	0.6
119.04951	3.1
120.08099	1.4
127.03862	1.5
129.06544	0.7
129.10260	1.8
132.08914	1.0
135.04420	17.7
137.05942	1.5
145.02850	11.0
145.04919	3.3
147.04416	10.3
159.08041	4.2
160.08401	5.5
163.03908	100.0
164.04250	1.9
165.05482	8.5
174.10353	2.7
175.10745	6.9
180.08720	1.1
181.04962	44.2
185.16501	0.8
221.11671	0.9
278.10968	1.6
280.12518	0.7
342.22476	0.8
360.07590	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
56.05035	2.7
56.96563	3.2
61.01144	1.1
69.03443	2.5
69.07051	1.7
70.06599	21.4
71.59451	1.5
72.08157	40.4
73.08504	1.1
74.06111	1.2
79.05504	2.6
81.03438	1.2
84.04517	9.8
84.08152	5.3
85.02912	8.8
86.09708	39.9
87.09998	1.0
88.04012	1.0
89.03933	2.7
91.05482	2.9
97.02892	2.7
102.05552	8.8
104.05329	4.3
107.05010	1.1
107.08643	1.2
111.04459	1.7
116.07088	11.0
117.03376	4.8
118.08627	3.1
119.04973	1.8
120.08131	3.7
125.05994	1.9
129.10277	2.3
132.10204	4.7
134.99673	1.2
135.04420	13.5
137.06000	3.5
145.02841	12.1
146.03162	1.2
147.04407	2.2
159.07968	1.3
160.08441	3.3
163.03911	100.0
164.04288	2.5
169.13376	1.7
172.11560	2.1
174.10446	2.0
175.10791	2.6
177.05544	1.3
178.05862	1.5
181.04964	38.7
181.06509	2.4
183.11299	4.9
187.10930	1.4
197.12856	2.9
201.12366	10.5
213.12399	3.0
215.13930	10.0
217.13696	6.1
229.11873	12.1
229.13963	1.7
243.13431	11.2
245.13052	2.3
257.50406	1.2
262.11572	2.3
296.06317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.5
57.03428	9.1
57.07077	100.0
65.24786	3.4
67.05505	28.3
69.07076	22.9
69.91148	11.5
69.91566	9.3
70.06581	10.7
71.08631	79.6
75.04473	5.3
79.05491	8.3
81.07052	40.3
83.08622	32.8
85.10184	37.8
88.07627	9.8
89.08806	3.4
95.08611	74.1
97.10188	26.4
105.03743	7.4
106.08664	4.4
109.10153	24.5
111.11698	9.2
118.36362	3.3
123.11676	14.0
137.13235	6.3
159.07957	4.7
164.62679	4.3
174.10318	6.1
249.25597	4.8
256.67261	3.9
267.26962	8.6
296.29465	14.8
341.30524	74.9
342.30768	4.8
359.24680	4.2
359.37134	89.1
375.32245	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	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
55.12972	1.1
55.48430	1.0
56.05028	4.9
56.96563	1.8
56.98393	1.0
60.04538	1.1
67.05498	2.3
69.03423	4.0
69.07058	5.9
70.06593	8.3
71.06948	1.6
71.59160	1.8
72.08153	57.9
76.38398	1.0
79.05504	2.6
80.38965	1.0
81.03426	1.3
81.07061	1.8
83.04984	2.1
83.06097	36.3
84.04501	40.1
84.08131	6.4
85.02906	3.8
86.06059	1.2
86.09702	100.0
91.05463	7.6
92.30818	1.1
93.07045	1.6
95.04961	3.2
96.48579	1.1
97.02885	1.5
101.06036	2.0
101.07150	6.7
101.10784	1.5
102.05531	2.9
103.05444	2.0
105.07040	2.1
107.04971	2.3
110.07201	1.3
110.09664	1.2
113.05983	7.6
115.05490	2.3
116.07092	3.7
117.07007	1.1
118.08655	13.3
119.04954	1.5
121.06511	1.6
122.03616	1.2
123.04466	2.5
128.06207	1.8
129.06691	6.7
129.10245	4.8
131.04921	5.4
131.08572	7.4
131.11841	5.5
132.05734	3.1
132.10204	31.5
133.02837	1.5
134.03584	1.3
135.04430	1.8
137.05972	28.8
137.09563	1.5
138.09131	12.7
141.06918	1.9
143.04927	1.6
143.08572	2.1
143.11815	1.6
144.05711	1.3
145.06485	2.7
145.10121	4.9
146.07260	3.0
147.04434	3.8
147.08017	2.3
149.05968	2.2
151.03934	2.8
152.10832	1.6
153.06938	1.1
154.07718	1.5
155.11798	4.6
157.13409	1.6
158.07254	1.9
159.08054	66.9
160.05183	1.8
160.08420	4.0
161.06001	3.6
163.03864	7.5
163.07547	4.0
165.05469	2.3
165.06891	1.7
166.08669	1.7
167.07057	1.9
169.10059	1.5
169.13422	2.0
171.08029	2.4
172.08846	2.8
173.09579	7.2
174.10399	66.9
175.07542	5.4
175.10741	6.1
177.05455	2.4
177.09123	1.1
178.07718	1.6
179.07056	1.8
179.08549	2.4
181.05023	1.6
181.06505	1.7
182.07286	1.6
182.12883	24.4
183.11279	26.9
187.03929	3.0
187.07481	1.3
191.08554	1.9
195.08060	1.1
196.14470	7.5
197.09648	4.9
197.12831	9.7
198.13353	1.1
200.13928	12.3
201.12418	1.5
205.06657	1.5
205.08549	2.8
207.08179	2.1
210.12361	10.7
211.10797	3.6
214.15526	3.6
215.10648	2.7
215.13976	1.6
219.08025	2.4
221.05965	1.8
224.13904	4.3
225.09111	1.4
225.12328	4.9
228.13419	11.3
229.11838	3.1
231.16898	1.2
233.11719	5.2
236.08250	1.1
237.02798	1.4
239.10547	1.6
242.14998	10.2
249.05696	1.4
251.10701	1.3
253.08441	1.5
261.11185	3.7
265.08627	3.4
277.10760	5.1
279.07318	1.1
279.12384	18.4
285.11255	1.8
292.14972	1.3
295.05972	1.9
297.07791	1.5
297.11145	3.5
299.12836	4.8
311.12747	4.1
323.05646	1.3
327.08566	3.7
328.28220	1.3
341.10461	1.2
341.21857	22.5
349.84726	1.2
359.07913	20.1
359.16602	5.3
359.22971	1.7
360.08130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01867	2.2
55.05514	9.3
57.03431	3.0
62.39558	0.8
65.03941	1.0
67.05511	12.6
69.03432	31.8
69.07076	8.1
70.66494	2.7
71.01331	1.6
71.04993	7.2
73.02911	0.9
78.79510	0.8
79.05502	7.6
79.10303	0.8
81.03422	14.7
81.07063	25.0
83.04978	2.3
83.08623	5.1
85.02914	12.2
85.06538	4.6
86.09747	0.9
88.95485	0.9
91.05477	8.8
93.07061	7.8
95.04996	1.2
95.08614	28.0
97.02898	100.0
97.06531	4.2
97.10175	2.5
99.04450	5.8
99.08094	2.6
103.05460	1.1
105.07036	10.5
107.08591	3.8
109.02882	12.7
109.06532	1.6
109.10168	2.9
111.04474	1.1
111.08080	1.5
117.06994	1.5
119.08588	11.4
121.10155	3.3
123.08067	2.1
127.03926	25.2
129.88986	0.8
131.08615	1.3
133.10158	6.5
135.11723	4.1
137.05971	3.6
137.09610	1.4
137.13251	3.5
145.04996	5.7
159.08025	1.9
161.13255	19.7
167.07040	1.4
174.10451	2.2
179.03326	0.9
179.14337	9.3
181.05064	1.1
195.08110	0.9
197.15392	1.9
210.06824	1.0
222.06871	0.9
223.07536	0.9
234.51369	1.0
238.09990	0.9
253.08614	1.7
266.09363	0.9
281.07935	1.0
281.11746	1.0
283.09622	0.9
297.11380	1.1
299.05634	0.9
300.09799	1.6
313.10666	4.8
313.14331	2.1
327.12332	2.3
328.61685	0.9
331.15289	0.9
341.13757	2.9
341.19962	1.0
359.07727	1.0
359.14954	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	359.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.9
55.05511	37.1
55.54951	8.2
56.96553	17.9
57.03425	8.0
67.05501	66.0
69.03415	39.3
69.07053	31.4
69.30981	78.6
71.04991	18.3
79.05491	44.3
81.03414	51.6
81.07053	100.0
83.04971	18.3
83.08623	17.6
85.02898	30.5
85.06517	13.1
88.23954	7.4
91.05472	41.8
93.07040	55.6
95.04951	24.8
95.08607	80.7
97.02880	16.3
97.06515	36.2
99.04426	13.3
99.08085	12.7
101.05967	8.6
105.07023	54.2
107.04980	10.6
107.08585	24.3
109.02866	14.9
109.06512	22.0
109.10157	27.0
111.08074	10.7
115.05488	7.2
117.06999	12.8
119.08582	57.2
121.06504	11.4
121.10127	28.0
123.08022	8.6
127.03915	18.6
129.06995	9.0
131.08527	18.7
133.10109	42.4
135.08084	11.4
135.11679	15.1
137.09550	8.0
137.13229	7.2
145.10104	11.1
147.08017	9.7
147.11749	10.2
151.07544	14.9
159.08047	81.2
159.11632	9.5
161.09616	9.7
161.13272	57.7
173.11789	10.3
173.13245	8.7
174.10419	62.2
179.10687	11.4
179.14230	35.8
197.15408	15.9
214.81256	9.7
279.12186	14.8
280.88995	7.5
305.17499	14.8
323.18579	33.0
341.20126	12.5
359.07986	15.4
359.18161	11.6
359.22070	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.01863	13.0
55.05506	36.8
56.96552	8.3
57.03426	16.1
57.07080	5.9
59.04988	4.2
67.05504	60.9
68.48886	4.8
69.03433	43.6
69.07077	31.4
69.32162	54.7
71.04989	24.5
79.05504	42.6
81.03416	47.3
81.07056	100.0
83.04971	19.7
83.08620	22.8
85.02905	24.0
85.06532	15.2
91.05479	48.2
91.29104	5.5
93.07037	43.9
95.04976	20.9
95.08601	92.6
97.02897	25.1
97.06533	39.0
97.10150	5.2
97.36620	4.7
99.04433	13.9
99.08138	5.5
105.07040	45.1
107.04971	9.3
107.08582	21.7
109.02871	20.1
109.06521	14.7
109.10134	24.4
110.34631	4.4
111.08069	9.8
117.07014	13.7
119.08580	53.2
119.81826	4.6
121.06512	8.2
121.10131	16.7
121.97791	4.4
123.08036	7.2
125.09646	7.7
126.47331	4.8
127.03908	18.7
129.06995	8.6
131.08577	20.5
133.06477	11.8
133.10143	28.8
135.08073	10.0
135.11678	16.0
137.06059	5.1
137.09615	8.8
137.13258	7.8
139.07658	5.6
143.08565	6.9
145.10149	15.5
151.07527	14.4
155.08594	6.2
157.10130	7.6
157.89906	4.8
159.08023	32.3
159.11694	11.6
161.09674	11.5
161.13261	54.4
163.07632	6.8
167.06978	7.7
171.11667	13.0
173.11739	8.7
173.13165	6.2
174.10460	28.6
175.10788	5.0
179.14362	34.4
197.15424	14.4
203.14343	6.3
207.13791	4.9
225.14915	8.1
237.14912	15.1
287.16504	5.9
289.09720	5.0
295.67368	5.3
305.17471	25.7
323.18518	42.9
341.19608	18.5
359.22131	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	359.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.8
55.01854	10.9
55.05508	39.5
56.96527	5.7
57.03445	8.1
57.07054	6.7
63.63803	5.0
67.05502	72.7
69.03430	48.3
69.07078	31.4
70.81355	15.6
71.05001	26.8
79.05488	38.1
81.03058	5.4
81.03419	66.3
81.07059	100.0
81.22156	5.3
83.04996	30.8
83.08619	28.2
85.02896	40.7
85.06539	13.1
87.04499	5.7
91.05490	44.8
91.88480	5.5
93.07052	53.5
95.04946	21.4
95.08605	97.3
97.02906	31.2
97.06541	42.1
97.10175	15.2
99.04457	8.5
99.08094	7.9
105.07028	51.6
107.04954	8.3
107.08614	32.2
109.02883	19.5
109.06492	19.1
109.10158	16.7
111.04422	7.3
117.07016	14.9
119.08569	44.9
121.06485	23.9
121.10149	18.1
123.08057	15.9
127.03907	20.9
128.06297	5.7
129.05519	7.1
129.07025	8.4
131.08557	19.3
133.06532	8.3
133.10115	33.1
135.08003	7.0
135.11650	15.1
137.09627	6.5
137.13214	12.1
139.51657	5.2
143.08607	8.8
145.10103	10.7
149.05917	7.8
149.13174	7.1
151.07553	16.8
155.08556	7.9
157.10178	6.6
159.08026	42.0
159.11630	9.1
161.13252	66.9
173.11751	9.9
173.13231	6.9
174.10400	31.8
179.14302	39.8
197.15346	10.5
225.14822	7.3
237.14867	20.3
275.16345	7.8
287.16281	12.2
305.17462	19.8
323.18512	41.5
341.19531	26.3
359.07755	9.5
359.22061	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	359.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01865	9.1
55.05510	31.9
56.96561	4.9
57.03432	15.6
64.74836	4.1
67.05506	57.1
69.03427	38.7
69.07063	32.9
69.86144	25.5
71.04987	27.2
73.02911	4.6
73.06504	3.6
77.56283	4.1
79.05493	39.9
81.03410	62.9
81.07059	100.0
83.04980	17.3
83.08610	16.5
85.02909	32.3
85.06535	14.0
91.05472	39.0
93.07058	45.3
95.04974	15.9
95.08040	7.6
95.08608	98.9
97.02901	23.8
97.06538	32.8
97.10155	12.1
98.40758	3.6
99.04451	12.8
99.08086	9.2
105.07023	42.2
106.92512	3.7
107.04933	5.6
107.08582	22.7
109.02874	21.8
109.06525	12.0
109.10163	17.4
111.04472	10.2
111.08073	6.5
115.07585	3.6
117.07037	12.4
119.08585	37.6
121.06490	8.7
121.10162	9.9
123.04387	4.4
123.08064	10.8
127.03911	22.9
131.08574	15.7
133.06548	6.0
133.10112	29.2
135.08040	6.8
135.11714	19.1
137.09586	8.3
137.13245	10.5
143.08615	4.5
145.04984	4.2
145.06555	6.1
145.10158	8.4
147.08015	4.4
147.11700	4.8
149.13255	4.8
151.07588	11.2
159.08055	22.2
161.13235	54.5
163.07523	4.7
173.11827	6.1
173.13249	4.6
174.10402	18.8
177.12770	4.3
179.14349	35.5
197.15350	7.5
207.13789	8.0
209.15364	5.6
219.13846	3.9
225.14825	8.9
237.14873	15.6
263.16443	6.5
287.16513	15.7
305.17398	21.6
323.18457	43.8
341.19589	21.1
359.21075	5.4
359.72726	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.99704	0.6
55.01856	1.6
55.05494	0.8
56.96522	0.7
57.03416	0.7
61.02915	1.0
67.05485	1.1
69.03436	4.4
69.07059	1.1
70.71577	2.0
73.02898	0.6
76.60483	0.7
79.05474	2.6
81.03405	1.6
81.07039	3.0
83.04953	0.8
85.02907	10.7
86.09703	5.1
87.07274	0.6
91.05485	4.3
92.85768	0.7
93.07037	5.9
95.04945	1.2
95.08599	1.9
97.02890	2.4
97.06518	0.9
99.04498	1.2
105.07036	8.1
105.44959	0.6
107.08591	36.8
109.06523	1.5
109.10155	1.6
117.07030	1.0
119.08588	5.0
121.06561	1.1
121.10158	6.6
123.11715	1.2
127.03905	2.8
131.04973	0.7
131.08588	1.8
133.10129	20.9
135.11650	1.1
137.05943	2.4
137.09615	1.2
139.07533	1.6
143.08578	1.6
145.04897	1.0
145.10083	1.1
149.09662	4.1
151.07571	0.8
151.11191	8.5
155.08611	0.9
155.11809	1.0
159.08041	2.8
161.09619	6.3
167.07039	0.8
167.10675	14.4
169.10223	1.0
174.10406	3.5
179.10677	16.1
181.08611	0.7
181.10083	1.0
187.06056	0.7
197.11726	100.0
198.11980	1.8
200.13965	3.1
233.11668	1.7
254.43364	0.8
259.38559	0.7
279.12204	2.0
313.10880	0.9
313.14294	2.1
341.13708	1.4
359.14981	3.0
359.22562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	1.1
55.01859	0.7
56.52350	0.5
56.96543	1.1
57.03423	1.3
59.04998	0.7
61.02906	2.0
67.05488	1.7
68.97401	0.5
69.03419	4.0
70.06577	1.0
71.04990	1.0
71.20479	1.4
72.08147	0.8
73.02905	0.7
75.41213	0.6
79.05472	1.7
81.03399	2.6
81.07059	1.4
84.04461	0.7
85.02906	17.4
86.09693	3.2
87.04472	0.7
91.03944	0.7
91.05485	4.4
91.69903	0.7
93.07047	7.0
95.04973	3.5
95.08620	0.9
97.02908	5.7
99.04424	1.2
105.01784	0.7
105.07014	6.8
107.08591	18.2
108.51408	0.5
109.02850	2.8
109.06504	1.9
109.10146	2.3
115.89867	0.6
116.07059	0.6
119.08570	2.4
120.08112	0.9
121.06513	2.5
123.04434	1.5
123.11691	0.7
127.03941	4.1
128.97366	0.6
131.08569	1.0
133.10127	16.9
134.10579	0.6
135.06509	0.7
135.08086	0.8
135.11682	18.3
136.07561	0.7
137.06013	1.4
137.09624	1.4
143.08537	1.0
145.04968	2.5
151.11201	1.4
159.08041	2.4
161.05923	0.6
161.09610	11.1
167.07037	0.8
174.10446	3.1
179.10675	35.3
180.10963	0.7
181.04967	0.6
197.11729	100.0
198.12086	2.3
273.14825	0.6
313.10660	0.9
359.10361	5.2
359.14948	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01860	5.6
55.05499	3.8
56.96569	8.8
57.03436	5.7
57.51043	2.5
58.99583	3.1
61.02934	6.0
67.05502	8.0
69.03436	24.1
69.07058	10.2
69.48193	11.8
69.48618	10.3
70.00022	2.2
70.06601	12.4
71.05013	3.9
71.57459	2.2
72.08150	59.4
73.02941	2.7
79.05496	7.4
81.03406	11.1
81.07066	6.8
83.01347	2.6
83.04976	3.3
83.08636	3.2
84.04502	5.6
84.08144	10.0
85.02905	45.0
85.06546	5.4
86.06029	5.6
86.09705	44.6
91.05499	9.8
93.07051	9.1
95.04959	4.8
95.08592	6.2
97.02908	16.9
97.06532	26.8
98.06048	7.8
98.97595	6.6
99.04480	3.5
105.07030	11.8
107.08595	63.0
109.02899	6.3
109.06511	13.6
109.10130	15.3
111.04414	4.3
116.01695	9.1
116.98589	5.6
117.07008	3.8
119.08585	7.5
121.06503	5.1
123.08095	3.1
127.03915	8.1
129.10243	7.0
131.08611	5.1
133.10130	25.1
134.99652	4.5
135.08076	3.8
135.11720	10.3
137.05963	8.3
137.09598	9.3
141.06984	4.3
142.03218	23.6
143.11792	3.6
144.04794	5.7
145.04953	7.8
145.10100	6.1
145.57678	2.4
147.08008	4.5
151.11188	5.5
153.05594	3.3
159.08064	36.3
161.09615	8.4
162.02238	3.9
163.07527	5.5
163.11159	4.1
167.06976	3.4
170.02733	9.5
171.11336	3.6
173.09589	5.0
174.10417	36.6
175.10712	4.4
177.00769	5.0
179.10638	28.2
183.11342	3.2
191.10747	3.4
197.09882	5.9
197.11732	100.0
203.13945	3.7
206.01672	3.0
215.05890	4.4
228.13420	5.0
231.17139	3.3
233.11772	5.2
237.02837	4.5
245.06000	8.0
261.11252	24.0
264.05515	3.0
279.12320	8.3
313.10620	4.0
359.07883	13.4
359.16913	64.7
360.17059	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
50.24797	0.9
53.03943	1.1
53.56746	0.9
55.01872	2.6
55.05516	1.6
56.39511	0.8
58.18597	0.9
59.04993	0.9
59.65878	0.9
61.44168	0.9
64.96840	1.1
65.03925	1.5
67.05507	2.2
69.03438	1.1
69.07082	1.4
69.48704	2.2
69.49098	7.3
72.08160	2.1
79.05510	5.7
81.07053	4.6
85.02899	1.2
86.09714	3.4
91.05481	27.1
93.07056	4.8
94.04181	3.2
95.01300	1.1
95.04972	4.4
95.08615	3.6
97.02904	6.5
98.21478	2.3
102.04697	1.0
103.05478	9.0
105.03409	4.7
105.07031	10.3
107.04948	6.7
109.02863	1.1
109.06522	5.1
115.05465	6.4
117.07029	4.3
119.04945	22.4
119.08585	3.4
121.06481	6.2
122.03636	8.0
123.08041	1.8
124.05231	1.1
127.03914	2.8
128.06218	1.7
129.06996	3.4
131.04926	3.6
131.05820	1.0
131.08591	1.8
132.05695	1.0
133.02823	2.1
133.06490	7.7
134.03673	1.3
135.04414	1.8
135.08072	1.6
137.05974	100.0
143.04930	3.1
144.05701	2.1
145.06462	4.1
145.10091	2.4
147.04395	14.7
147.08009	4.9
149.06004	11.4
150.06761	2.2
151.03870	1.8
151.07524	10.3
155.08559	1.4
156.19012	1.0
157.10146	4.8
159.08046	9.2
160.05200	3.7
161.05978	22.6
161.13271	2.3
162.06755	6.9
163.07527	7.0
165.06985	2.2
165.08994	1.1
166.07747	1.1
167.07092	1.6
168.42513	1.2
172.05179	3.3
173.05972	1.4
174.06932	1.1
174.10378	2.3
175.07553	26.0
178.07796	1.3
179.07031	6.4
179.08528	2.1
181.10172	1.4
187.07532	14.5
190.06322	1.3
190.07845	2.5
191.07040	1.6
191.08559	6.5
193.06685	1.8
193.08600	5.8
194.07278	2.8
195.08099	1.6
198.93687	1.0
202.07866	2.3
203.08496	5.0
205.06731	1.8
205.08582	13.8
207.08054	2.8
208.09062	1.3
209.09677	1.1
210.06590	1.6
211.07555	1.8
217.08638	1.2
219.08006	8.5
220.08812	2.1
221.05943	1.8
221.09306	1.1
223.07645	1.0
224.08234	1.3
225.09114	1.5
227.10709	1.0
231.08087	3.2
235.07394	2.4
236.08316	1.6
237.09190	2.9
239.10751	2.0
240.07759	1.0
247.07533	5.6
248.08369	1.4
249.09023	1.1
251.10672	4.7
253.08556	2.2
254.09335	1.2
259.07578	2.1
263.10666	1.4
264.07721	1.2
265.08658	6.5
267.10251	1.3
267.14029	1.1
269.08401	1.4
269.11908	1.4
277.08673	1.0
279.10187	7.1
284.10452	1.6
285.11240	1.4
291.10172	4.6
295.09875	1.4
295.13312	3.6
296.10538	3.5
297.11319	4.7
299.12744	7.7
309.11243	4.6
311.12766	8.7
313.10626	1.9
313.14380	1.7
323.12726	2.5
329.13785	3.6
341.13770	4.1
359.07846	1.4
359.14902	10.8
359.23007	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Prestegane B
Peak:m/z	Relative Intensity
51.32053	1.3
53.03944	1.9
55.01866	4.1
56.96556	2.6
59.00090	1.3
65.00367	1.3
65.03933	2.2
66.68407	1.5
67.05512	2.2
69.07068	4.5
70.06576	1.9
70.75925	2.9
72.08182	3.2
73.02919	4.2
77.03972	1.9
79.05473	8.0
81.03427	2.5
81.07053	5.0
84.08140	1.7
85.02906	2.0
86.09707	15.7
87.10045	4.0
91.05482	16.9
93.07052	3.5
94.04195	3.7
95.04967	4.2
95.08623	3.2
97.06499	2.9
103.05470	25.4
105.07015	8.3
107.04948	6.3
109.06515	5.3
111.04471	2.3
115.05451	4.6
117.07048	4.0
119.04937	17.1
119.08574	3.1
121.06516	4.5
122.03642	5.6
123.04549	1.5
128.06277	1.8
129.07008	2.9
131.04015	2.4
131.04939	34.7
131.08559	1.6
133.02846	2.5
133.06519	4.7
135.04424	2.4
135.08073	2.0
137.05980	100.0
141.06940	1.6
143.04904	5.0
145.06450	2.8
147.04395	13.4
147.08032	3.9
149.06041	6.8
151.03932	5.4
151.07549	9.3
159.08096	10.2
160.05211	2.2
161.05997	17.6
162.06737	6.6
162.59137	1.3
163.03906	8.1
163.07533	26.2
165.05469	4.8
165.06892	2.8
172.05232	1.5
173.09569	1.8
174.10393	8.7
175.07549	20.0
177.05487	2.6
179.07022	7.1
179.08517	2.6
181.04930	1.7
186.12463	2.2
187.03851	2.5
187.07538	8.5
190.07744	1.6
190.24152	1.5
191.08543	3.0
193.04808	1.5
193.06601	1.7
193.08524	3.6
194.07225	2.5
197.11696	1.8
199.17982	1.9
200.18410	2.9
201.12843	1.3
203.08635	2.1
205.06770	2.6
205.08606	7.2
207.08119	2.3
209.08040	1.7
210.06882	1.6
219.08054	5.3
220.08905	1.5
221.06029	2.2
231.08044	3.2
235.07596	2.7
236.08400	2.8
247.07579	3.3
248.77248	1.3
251.10666	4.0
259.07501	1.9
263.10727	1.7
265.08560	3.7
267.10153	2.9
271.09821	1.6
279.10086	7.9
281.08810	1.5
285.11270	2.0
291.10077	3.0
296.10345	1.9
297.11200	3.6
299.12790	5.7
307.26434	1.4
309.11069	4.0
311.12704	6.5
313.10727	9.6
313.14340	3.4
329.13733	2.6
341.13885	4.8
359.14999	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	359.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.0
56.96544	1.9
65.03923	0.8
69.03397	2.1
69.07014	1.4
69.75903	5.1
70.06599	6.2
72.08152	4.6
83.04951	1.0
84.04483	3.3
84.08144	5.0
85.02891	1.3
86.09702	26.8
87.05566	1.2
91.05456	3.3
95.04944	1.1
98.97579	1.6
102.05522	1.1
105.06993	2.2
107.04936	1.3
110.07159	1.2
115.05413	1.4
116.06239	0.9
116.07069	1.4
117.03386	0.8
117.06971	1.4
123.04415	1.0
129.07002	1.8
129.10239	2.4
130.05045	1.1
131.08560	9.6
133.06082	3.7
135.04402	1.8
136.06204	3.8
137.05951	2.7
141.06931	1.5
144.05675	1.3
145.02859	1.2
145.06479	2.3
145.10149	2.5
146.07260	3.3
146.10974	1.2
147.07712	1.9
151.03908	1.2
155.08647	0.9
157.10077	1.0
158.07295	1.5
159.08051	97.8
160.08398	1.4
163.03864	5.6
165.07019	1.2
169.10106	1.6
171.07996	1.3
172.08794	1.4
173.09650	5.7
174.10402	100.0
175.07397	0.9
175.10774	2.6
182.07297	2.4
187.03983	1.8
197.09639	5.0
199.07468	1.2
199.18073	6.1
207.08145	0.8
215.10725	1.7
225.09091	1.7
227.17520	2.3
233.11752	4.9
237.02826	1.3
243.10152	1.8
246.14503	1.1
257.97025	0.8
261.11014	1.1
261.12991	1.1
272.31454	0.9
277.10733	2.8
279.12326	11.9
299.12964	0.9
313.07358	1.2
317.09219	1.8
323.05389	0.8
341.10373	1.4
359.07999	26.8
359.16760	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33264	2.2
53.03943	2.4
55.01865	5.0
56.96571	6.3
57.03432	11.4
67.05501	4.1
69.03423	6.3
69.07079	3.4
70.06587	5.5
71.04974	2.6
71.42138	2.4
71.42480	4.6
72.08152	17.6
77.00904	4.3
79.05490	7.9
81.07055	8.0
84.08146	5.2
85.02923	2.8
86.09716	17.6
88.03992	2.6
91.05476	27.2
93.07065	4.7
95.04971	8.8
95.08617	5.6
97.02843	3.3
99.04458	2.9
103.05462	50.0
105.03431	3.6
105.07033	11.9
107.04964	10.6
107.08566	2.8
115.05479	8.5
117.07016	6.4
119.04935	16.3
119.08631	3.5
121.06492	7.5
122.03650	7.2
123.04478	3.3
127.08674	4.8
129.07048	5.5
129.10236	3.1
131.04939	86.6
133.06500	5.9
135.04420	4.2
135.08057	3.9
137.02344	3.0
137.05978	100.0
138.06343	3.7
143.04910	4.6
145.06470	5.2
145.10207	3.3
146.11722	3.8
147.04395	11.8
147.08078	3.7
149.05963	8.3
151.03851	5.0
151.07570	8.7
153.05472	4.0
153.06894	2.9
155.08603	3.4
157.10146	2.7
159.08069	24.5
160.05205	6.9
161.05984	32.1
161.09584	2.5
162.06812	4.9
163.07549	27.3
165.07033	7.3
167.07117	4.7
169.09892	2.7
173.06020	2.6
173.09544	3.7
174.10400	19.7
175.07530	26.8
178.52547	2.4
179.07047	10.4
179.08458	3.0
181.04997	4.9
181.06424	3.8
181.10072	2.9
182.07162	3.7
186.12408	10.0
187.07553	12.7
191.08527	3.3
193.08623	6.3
195.08116	4.4
197.09715	3.4
205.08601	11.4
206.07050	3.0
211.07542	3.7
214.11809	3.6
215.11295	7.3
219.08105	8.0
221.05989	4.0
221.09650	3.8
224.08389	5.0
225.09102	4.8
231.08188	3.3
233.12306	11.8
237.09204	4.0
247.07611	4.4
248.08116	3.2
250.09914	2.9
251.07156	2.8
251.10658	4.2
252.07893	2.8
253.08464	11.8
257.12329	6.6
265.08575	6.1
267.10272	5.0
279.10144	10.0
281.08267	3.0
281.11829	4.2
285.11185	10.2
291.09998	3.7
295.09674	3.7
295.12939	2.9
296.10117	2.7
297.11279	5.8
299.12875	6.9
300.09976	3.9
309.11191	6.5
311.12778	10.8
313.10690	16.6
313.14395	13.3
327.05038	3.6
327.12198	4.6
329.13965	2.6
331.15598	4.6
341.10229	4.8
341.13873	14.9
359.07962	4.3
359.16873	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
55.05509	5.0
57.07067	3.0
62.06086	100.0
63.05697	0.6
66.69651	0.7
67.05165	1.0
67.05501	16.0
67.73507	0.6
69.07078	4.1
69.74890	4.7
71.05003	0.9
71.08620	5.1
79.05487	5.4
81.03465	0.6
81.07048	15.9
83.08606	4.3
85.06551	0.9
85.10175	4.1
86.09710	0.6
91.05466	4.5
93.07039	7.6
95.08601	14.0
97.06497	0.7
97.10165	1.2
97.86221	0.8
98.06078	1.5
99.04449	0.9
99.08100	2.9
105.07046	3.1
107.08582	3.5
109.10148	4.6
113.09634	4.2
117.07053	1.1
117.84297	0.6
119.08603	2.4
121.10128	3.2
123.11734	2.3
131.08574	2.4
133.10152	2.2
135.11711	2.3
137.13269	2.0
139.11166	0.9
145.10162	1.4
147.11708	2.4
149.13368	0.9
159.08067	3.0
161.13261	1.1
174.10489	2.3
177.16415	1.1
210.18663	1.5
224.20216	1.3
228.19595	3.2
230.17625	0.8
238.18121	1.9
240.19681	3.1
242.21126	1.3
243.21173	2.3
261.22128	1.8
279.23166	5.3
285.10211	0.9
304.26413	0.7
322.27396	65.4
323.25696	4.6
334.99640	0.8
340.28452	14.3
358.29471	1.1
359.08112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05495	3.4
55.77451	1.3
56.96558	5.0
57.03444	1.9
59.05001	100.0
60.04493	1.6
67.05488	3.7
69.03442	10.8
69.07059	4.6
70.06586	9.3
71.04970	1.9
71.59965	1.7
71.60328	1.6
72.08160	1.9
73.02907	1.6
79.05481	2.7
81.03409	2.8
81.07050	5.6
83.04932	1.8
84.08133	3.7
85.02909	6.2
86.06097	1.7
86.09705	24.8
87.04468	3.7
87.05589	4.2
89.06030	70.4
91.05471	7.2
93.07047	4.5
95.04978	3.6
95.08600	2.3
96.08115	2.1
97.06506	1.9
98.97579	3.7
103.05425	2.0
103.07578	85.8
105.07035	6.1
107.04963	2.6
107.07069	3.2
107.08591	3.1
108.20727	1.4
109.06474	3.1
109.10161	2.4
111.04457	1.8
115.05452	2.5
116.06181	1.6
116.07089	3.2
116.10758	2.6
116.98615	1.4
117.07005	2.8
119.08596	2.6
121.06480	2.4
121.10181	2.7
122.13773	1.6
123.04453	1.7
128.06194	1.5
128.98607	1.4
129.07007	4.2
129.10226	3.2
131.04961	1.4
131.08565	8.2
133.06474	2.2
133.08598	37.0
134.08900	1.8
134.99686	2.1
137.05984	24.7
137.09587	3.0
138.06282	13.8
138.09120	1.9
141.06950	3.1
141.10236	2.9
142.07741	1.9
143.08574	3.5
145.06461	4.9
145.10104	5.2
146.07198	3.6
146.10802	1.6
147.08038	4.1
147.10158	35.6
151.03954	1.4
153.06990	1.5
154.07799	2.9
155.08527	3.7
155.11771	3.0
157.10126	4.1
158.07295	3.4
159.08052	83.4
159.11661	3.3
161.09637	2.8
163.11195	2.0
165.05554	1.9
167.07101	3.1
169.10109	5.3
171.08029	4.5
172.08812	2.6
173.09637	9.9
174.10405	98.8
175.07535	2.6
175.11183	2.1
177.00684	1.9
177.11224	16.4
179.08624	1.8
182.07310	4.5
183.11433	1.9
187.11139	2.8
191.06955	2.0
191.12785	1.8
196.13271	1.7
197.09650	12.7
200.13942	8.9
203.06985	2.1
211.10963	1.8
212.16432	2.3
215.10715	3.1
225.09198	2.6
228.13466	3.9
230.17506	5.1
233.11671	7.0
243.10118	6.2
261.11200	36.1
278.11139	2.9
279.12259	25.9
295.13141	1.7
297.19034	2.2
313.10507	4.1
313.14276	3.8
318.31073	1.6
326.11148	2.1
341.13974	1.5
341.21625	23.9
358.12961	3.4
359.07916	48.4
359.14639	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.61557	6.5
55.05512	72.3
57.03426	20.4
57.07081	46.8
65.04752	7.0
67.05498	74.9
69.07064	100.0
71.08620	24.1
71.61282	8.3
75.96419	6.0
79.05483	49.9
81.07056	99.2
83.08619	69.3
83.25307	6.4
85.10168	17.7
88.07626	7.5
93.07060	72.6
95.08614	84.9
95.09201	11.8
97.06534	34.1
97.10159	41.7
105.07035	18.7
107.08588	46.6
109.10159	43.7
111.08107	18.1
111.11684	12.0
121.10145	89.8
123.11711	21.2
125.09661	7.2
135.11696	73.6
145.10124	17.3
149.13225	34.7
151.14783	8.4
161.50163	6.9
163.14822	13.0
165.16341	9.1
191.17845	10.4
221.15306	9.7
247.24190	72.4
265.25281	61.0
278.81473	7.4
326.11462	7.8
339.28973	38.8
357.35632	46.4
358.36728	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	357.2998
Annotation	Monoolein
Peak:m/z	Relative Intensity
53.00292	0.9
53.03931	1.7
55.01865	1.1
55.05511	49.4
56.96548	1.2
57.03438	23.2
57.07076	39.1
59.05014	1.1
59.74788	0.8
65.03928	0.9
67.05167	1.3
67.05504	20.3
69.03414	1.5
69.07067	68.5
69.58469	6.5
71.04987	2.7
71.08630	27.1
73.06545	2.3
75.04477	1.5
79.05482	8.8
81.07056	28.3
83.04974	3.7
83.08617	46.8
85.06548	2.8
85.10181	13.9
87.08097	1.1
91.05466	2.0
93.07043	14.4
95.04928	0.9
95.08607	30.0
97.06528	13.2
97.09529	1.8
97.10167	28.7
99.08098	2.7
99.11756	1.2
101.05987	1.8
105.07049	1.1
107.08593	12.4
108.17435	0.8
109.10152	13.9
111.08076	8.3
111.11740	9.9
115.07552	3.0
119.01930	1.4
121.10136	16.4
121.11003	0.9
123.11699	5.0
125.09632	8.9
125.13257	2.4
129.09102	2.5
133.03474	2.0
135.11696	12.4
137.13293	2.1
139.11179	8.3
143.10670	1.9
149.13263	10.8
151.14847	2.0
153.12767	6.2
157.12259	1.1
163.14818	5.8
165.16353	1.4
167.14310	5.5
171.13869	2.0
175.04504	9.6
176.04550	0.8
177.16426	5.2
181.15909	3.7
185.15303	0.9
187.19672	0.9
191.17909	3.5
195.17415	3.3
202.56723	0.8
205.19472	1.2
209.18884	2.1
213.18559	1.2
247.24203	9.1
265.25223	17.7
283.26382	1.4
296.29523	1.0
301.01794	1.3
317.18033	2.0
335.18973	8.9
339.28946	15.4
353.19769	1.7
357.20956	3.0
357.29999	100.0
358.20593	1.3
358.30295	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16307	5.4
54.05804	4.6
54.38842	5.3
55.05510	72.3
57.03426	18.4
57.07073	39.4
67.05497	67.5
69.07069	100.0
69.10339	5.5
69.38837	51.9
71.04984	6.4
71.08631	24.0
75.04443	5.3
79.05483	43.8
81.07063	77.6
83.08627	72.1
85.10185	18.0
87.04467	27.3
91.05472	11.4
93.07043	54.6
94.62669	5.4
95.08608	87.0
97.06536	24.0
97.10165	45.3
98.21530	9.9
99.08120	4.8
107.08590	44.9
109.10143	36.7
111.08064	10.2
111.11703	13.8
121.10143	84.8
123.11709	11.5
125.09594	12.3
135.11700	74.8
139.11182	9.1
149.13281	27.2
151.14813	12.1
153.12740	6.4
163.14865	16.9
165.16374	18.2
181.15796	6.3
191.17903	5.6
196.09233	5.6
247.24220	71.7
265.25272	64.9
283.26367	6.0
339.28952	44.3
350.35541	5.2
357.29984	9.7
357.35498	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01867	6.2
55.05506	60.6
57.03421	12.5
57.07075	41.6
57.50066	2.8
67.05502	81.6
69.07066	100.0
69.39904	26.7
71.04963	4.7
71.08629	26.8
75.04480	4.6
79.05493	48.0
81.07052	95.4
83.04973	6.9
83.08614	56.8
85.06520	4.6
85.10176	14.2
91.05470	6.2
93.07044	63.9
95.08602	78.4
97.06530	26.9
97.10166	42.4
103.03926	9.1
106.45456	3.5
107.08594	50.6
109.10156	39.9
111.08067	15.3
111.11702	12.0
121.09309	6.9
121.10137	99.4
123.11723	16.1
125.09606	6.8
125.13293	3.7
129.05510	5.6
135.11685	67.6
137.13234	7.7
139.11127	3.4
149.13252	29.6
151.14789	9.9
153.12773	4.3
163.14787	14.3
165.16402	12.6
177.16406	4.6
181.15877	7.8
191.17950	4.4
195.17421	4.3
205.19608	3.8
216.65451	3.7
247.24194	76.6
255.91965	3.8
265.25281	57.5
283.26346	6.1
329.11151	3.4
339.28870	41.5
357.29874	10.5
381.73117	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.79893	7.0
53.57653	8.2
55.05508	48.0
57.03416	11.1
57.07069	55.5
66.35523	8.0
67.05508	69.2
69.07077	100.0
69.45924	76.4
71.08633	19.0
79.05495	52.0
79.81045	9.2
81.07053	99.2
81.19315	7.6
83.04980	10.1
83.08613	59.0
85.10201	19.1
88.32751	7.9
91.05464	13.8
93.07030	47.5
95.08606	99.7
97.06528	38.9
97.10171	60.2
103.03937	13.8
105.07003	9.9
107.08598	57.6
109.10154	41.7
111.08075	25.0
111.11729	21.0
118.96667	8.8
121.10144	93.7
123.11722	30.3
125.09659	11.3
125.13287	9.4
135.11708	73.2
139.11189	20.7
149.13228	30.4
151.14854	16.6
163.14835	22.5
202.19919	8.3
247.24260	84.9
265.25278	55.4
339.28845	36.0
343.07101	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	357.1334
Annotation	5-Deoxykievitol
Peak:m/z	Relative Intensity
53.03949	0.6
55.01874	0.7
55.05476	0.4
56.96556	1.0
59.49346	0.4
60.04516	0.6
65.03934	0.6
66.04724	0.9
67.05490	0.9
69.03423	1.6
70.06591	6.9
70.75072	0.9
70.75443	1.0
71.31970	0.5
72.08155	1.6
79.05499	3.8
81.07052	2.7
84.04496	2.0
84.08147	2.2
84.95184	0.5
86.09715	6.0
87.05613	0.8
91.05444	3.0
94.04194	6.1
95.05003	1.2
98.07621	0.4
98.97598	0.8
103.05441	1.4
105.07021	1.5
107.04942	1.7
109.06534	3.3
110.07163	1.5
111.04552	0.5
114.90741	0.4
115.05463	6.1
116.07086	1.6
117.07005	1.6
119.04928	1.0
119.08584	1.0
119.81689	0.5
120.08070	1.0
121.02866	0.5
122.03654	16.9
125.05997	0.6
128.06206	0.9
129.06984	1.3
129.10222	1.2
130.08611	1.0
131.04903	2.6
131.08598	0.8
135.04431	0.8
136.07533	0.5
137.05977	89.6
138.06349	1.5
139.16417	0.5
142.07808	0.8
143.04918	2.1
144.05658	0.9
145.06471	0.9
145.10150	2.5
146.03676	0.6
147.04433	1.9
147.08058	1.2
147.11304	0.5
147.86526	0.4
149.06001	4.2
150.03139	1.2
151.03912	5.0
155.08511	1.0
157.06523	0.8
157.10123	1.4
158.07274	2.7
159.08044	1.1
160.05209	6.8
161.05966	2.7
161.09616	0.6
162.06758	0.6
163.07559	3.1
165.05478	100.0
166.05817	1.4
169.10097	0.6
171.08049	2.0
172.05156	0.9
172.08853	4.3
173.09602	2.2
175.07555	18.9
177.05479	6.4
185.09615	2.6
187.07516	3.3
189.05505	0.8
189.09100	0.9
190.82460	0.6
191.07072	1.1
191.08582	1.7
195.06317	1.5
201.09081	1.8
203.07025	26.3
204.07536	0.6
207.08066	0.6
213.09138	1.0
215.07019	2.1
218.07277	1.4
219.08063	4.7
221.05911	0.6
233.09685	0.7
235.07562	1.0
236.08315	1.3
241.08566	1.7
243.13322	0.5
246.06763	1.3
247.07547	4.3
248.08228	0.7
249.09056	1.0
251.10709	2.4
253.08601	1.0
259.09598	0.9
261.09131	4.5
263.07031	1.5
264.07736	1.4
265.08563	1.0
267.06567	0.6
275.07050	1.1
277.10812	16.0
278.09238	1.8
279.10126	6.7
289.08536	1.7
290.09332	2.9
291.06345	0.5
293.08334	0.6
293.11771	1.4
294.08655	0.5
297.11008	0.6
306.08621	2.3
307.09631	2.0
311.09201	0.8
311.12759	8.8
312.13507	0.6
321.11230	24.1
322.11365	0.6
325.10645	0.6
339.12259	22.3
340.12509	0.9
357.06427	14.7
357.12714	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	5-Deoxykievitol
Peak:m/z	Relative Intensity
50.54396	0.7
55.01863	0.9
55.72399	0.7
56.96559	1.8
61.05391	0.6
64.36916	0.6
65.03934	1.7
65.88165	0.9
66.04713	0.9
67.05489	3.2
69.03417	2.1
70.01986	3.4
70.06582	2.9
71.04993	0.8
72.08150	1.2
79.05496	3.9
81.03423	1.9
81.07057	4.4
84.04469	1.8
84.08150	1.7
86.09698	8.0
87.10045	1.9
91.04960	1.0
91.05478	9.2
93.07054	2.2
94.04162	5.1
95.04984	1.7
95.08616	1.1
97.02890	1.3
98.21313	1.1
98.97593	1.5
103.05468	1.5
105.07017	2.0
107.04951	1.9
107.08607	1.0
109.02883	1.9
109.06508	2.3
109.10157	1.0
111.04478	1.4
115.05451	3.2
116.98647	1.4
117.07021	1.3
119.08512	0.9
122.03655	12.8
125.09652	0.9
127.03919	1.6
129.07004	1.4
129.10265	0.8
130.08659	1.1
131.04909	1.9
131.08543	1.1
133.02850	1.2
133.10161	0.8
134.99693	1.4
135.04395	1.6
137.05978	100.0
138.06323	1.9
142.07703	0.7
143.04913	3.7
144.05658	1.2
145.06465	1.0
146.03609	1.0
147.08099	0.8
149.01289	0.7
149.02359	1.1
149.05917	3.9
149.13341	0.8
151.03909	13.9
151.05054	0.8
153.05473	1.0
157.06406	1.0
160.05206	3.3
161.05952	3.9
163.03926	1.3
163.07518	3.5
165.05481	58.9
166.05818	1.7
171.11739	1.2
175.07553	13.2
177.05475	2.6
181.04990	1.0
187.07573	2.4
188.04663	0.8
191.07013	1.5
191.08615	1.2
195.09956	1.0
199.11203	1.1
203.05241	1.5
203.07040	14.6
204.06670	0.9
205.08559	1.7
208.08730	0.8
215.07150	1.6
217.12259	1.2
219.08055	3.8
233.77409	0.7
234.06700	1.1
235.07500	1.4
237.09093	0.9
241.08611	8.8
246.06827	1.0
247.07588	3.4
251.10565	1.6
259.09750	1.1
261.09140	3.6
263.07132	1.3
264.07941	1.9
265.05334	0.8
265.08545	1.8
277.08386	1.4
277.10980	1.0
278.09332	1.0
279.07184	0.9
279.09955	3.5
285.03925	2.0
289.08469	1.2
290.09314	2.2
293.11545	1.1
297.11218	2.3
306.08911	1.4
307.09616	3.2
309.11255	1.3
311.09402	1.4
311.12659	5.8
313.07050	1.1
321.11206	14.3
325.10605	1.8
327.12292	6.1
339.05292	1.8
339.12265	14.4
357.06299	5.2
357.13611	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.53401	1.2
53.03939	2.0
55.01872	17.4
55.05502	1.5
56.96557	3.1
58.63090	1.2
62.09457	1.4
65.03944	3.8
66.04708	1.7
67.05495	3.6
69.03427	1.9
69.07069	2.7
71.19004	3.6
73.02885	1.1
75.80100	1.1
79.05496	7.4
81.07062	9.0
85.02906	2.1
91.05468	13.0
93.07042	4.0
94.04189	6.1
95.04974	4.6
95.08603	2.4
97.02874	2.5
102.04680	2.0
103.05472	6.7
105.03375	1.7
105.07005	7.9
105.83650	1.3
107.04926	5.8
107.08610	1.7
109.06511	6.4
111.04437	6.6
115.05460	7.7
117.03372	3.1
117.07026	1.8
118.41763	1.2
119.04926	3.1
119.08576	2.2
121.06522	2.6
121.10180	1.6
122.03655	16.0
125.05971	3.9
129.07039	1.4
130.04146	4.4
131.04924	7.4
133.02820	1.6
133.06480	3.6
135.04442	2.3
135.08078	1.4
135.11673	1.2
137.05977	100.0
138.06328	2.2
143.04942	4.8
144.05685	3.3
145.02815	1.7
145.06493	3.5
146.03639	7.8
147.04407	4.2
149.05978	3.9
149.13322	1.3
151.03925	7.5
153.01820	2.8
153.05486	4.2
153.07007	2.0
155.04930	4.3
157.06407	1.5
159.04424	1.6
159.08034	2.1
160.05225	2.4
161.05972	18.9
162.03101	1.4
162.06734	6.5
163.07564	4.1
164.06027	1.4
165.05516	29.2
165.06987	4.4
167.07083	3.0
171.04405	3.6
172.05240	3.3
173.05992	2.5
175.07523	8.0
177.05492	12.9
177.06895	2.0
178.07707	4.0
179.08548	3.7
181.06477	3.0
183.04454	3.7
185.06024	3.3
185.25836	1.2
187.07559	6.7
189.06985	10.3
190.07774	10.0
191.07004	1.3
191.08554	17.0
193.06458	1.5
194.07169	2.8
195.08112	3.5
200.04645	2.5
201.07054	2.8
202.07816	4.7
203.07043	9.7
203.08665	2.3
205.06593	5.9
206.07249	4.6
207.08081	11.9
208.08846	3.6
209.06026	1.5
215.06946	9.7
217.06541	5.1
218.07269	20.4
219.08051	31.5
220.05309	2.0
220.08696	6.1
221.05959	7.0
221.09634	1.4
222.06749	2.5
223.07518	2.4
225.09256	1.5
229.06503	8.1
230.07097	2.1
231.08037	3.6
232.08813	1.7
233.06024	2.4
233.09642	2.1
234.06744	10.3
235.07506	18.8
236.08266	6.9
237.05508	1.8
237.09081	4.2
241.08322	1.6
243.07973	1.6
245.06047	3.1
246.06786	17.8
247.07539	29.8
247.09891	2.4
248.08220	7.8
249.05428	3.3
249.09120	11.0
250.06305	2.2
251.06972	4.6
251.10663	4.5
251.76253	1.3
252.07895	1.9
253.08484	3.2
257.06128	6.7
258.07007	2.7
259.07550	3.4
261.09109	28.2
262.06207	3.7
263.07004	13.9
264.07794	17.0
265.08612	7.7
266.09360	1.6
267.10049	5.4
269.08026	2.4
273.05615	1.6
274.06201	14.7
275.07016	14.3
276.07736	4.2
277.08585	21.3
278.06625	1.4
278.09195	7.1
279.06625	3.5
279.10175	15.9
280.07333	1.8
281.08063	2.4
286.04849	2.5
289.08572	39.5
290.09305	7.0
291.06540	6.0
291.09976	2.0
292.07275	6.3
293.08109	2.7
293.11588	2.1
294.08917	5.8
295.09503	7.2
297.11230	2.4
299.12778	2.1
306.08728	9.9
307.09641	77.6
308.10110	6.2
309.07709	2.8
309.11237	14.5
309.87781	1.6
311.12637	2.4
321.11221	53.2
322.11798	1.6
324.09961	3.0
325.10611	1.7
327.12234	17.6
328.12003	1.6
339.12241	27.5
357.09579	7.4
357.13382	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	357.1332
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
55.01879	20.0
55.05504	5.9
56.96564	8.8
67.05499	12.1
69.03425	9.2
69.07076	7.4
70.99866	8.4
71.00198	8.7
74.49304	5.0
79.05496	18.4
81.03427	11.8
81.07056	22.8
85.02903	6.1
89.03889	5.4
91.05495	14.9
93.07030	16.5
94.04173	6.1
95.04969	11.6
95.08625	15.1
97.02902	10.5
97.06535	17.1
98.97593	6.9
103.05458	8.6
105.07024	15.3
107.04972	9.1
107.08597	9.7
109.06505	7.8
111.04482	10.2
112.73718	5.4
115.05495	7.4
117.07195	5.6
118.63615	4.8
118.97668	5.4
119.08578	10.8
121.10193	9.7
122.03626	14.2
127.03967	7.2
131.04906	10.0
131.08571	8.1
133.10085	5.1
135.11639	5.4
137.05981	100.0
145.02866	4.9
145.10136	7.8
146.03680	7.6
146.51253	4.6
147.04408	5.8
149.06024	7.0
151.03940	8.5
155.04944	6.7
159.11694	6.1
161.05962	40.6
162.06758	6.6
165.05490	48.2
165.06793	7.1
173.06015	6.2
173.09663	7.3
175.07536	9.9
177.05511	16.5
178.07730	6.3
179.08670	7.8
185.05911	5.9
189.06978	7.4
190.07718	8.9
191.08568	18.2
195.08089	6.7
197.13303	6.6
200.64885	5.0
203.07034	11.5
205.06483	6.9
207.07997	8.8
208.08896	7.5
215.07143	13.6
217.06519	8.9
218.07292	20.0
219.08087	40.8
220.08778	7.9
221.06006	8.3
234.06816	12.4
235.07576	20.4
236.08307	10.2
246.06842	21.1
247.07526	32.9
248.08167	5.7
249.09132	13.8
251.10667	7.6
261.09067	37.6
263.07025	21.6
264.07791	15.0
265.08575	9.5
267.09021	7.4
274.06354	20.3
275.07050	14.4
277.08588	31.3
278.09244	9.9
279.06891	6.2
279.10104	25.0
285.10312	7.6
289.08606	60.6
290.09366	11.7
294.08759	6.7
306.09006	14.3
307.09680	85.7
309.11240	19.9
309.22061	5.7
321.11246	66.4
327.12314	24.4
339.12231	43.6
357.13309	17.8
357.20609	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.02352	1.8
55.01665	1.6
55.01878	19.2
56.96544	2.1
65.03923	5.7
67.05503	3.0
69.03407	3.4
70.06578	4.4
71.59957	1.9
74.77601	1.4
79.05511	7.6
81.03431	2.1
81.07036	5.4
84.04442	1.4
84.08123	1.4
84.86972	1.4
85.02918	3.7
86.09703	3.8
91.05453	11.0
91.57086	1.5
93.07056	3.3
94.04178	6.2
95.04952	2.5
97.02857	2.2
97.06557	2.6
103.05476	6.9
105.07042	7.2
107.04967	5.2
109.02850	1.8
109.06515	4.3
111.04451	9.1
115.05456	11.4
116.07092	3.7
117.03391	2.9
117.06995	2.5
119.04960	5.0
119.08566	2.7
121.02830	1.7
121.06487	4.3
122.03647	15.9
125.05990	7.0
127.03934	1.8
129.07028	1.9
130.04105	2.7
131.04918	7.5
133.06503	4.4
133.10110	2.4
135.04453	1.7
137.05980	100.0
138.06357	2.2
143.04904	6.4
144.05667	3.6
145.02824	3.2
145.06461	3.7
145.10158	1.9
146.03610	5.3
147.04428	8.2
147.08043	1.7
149.05984	8.9
151.03914	6.0
153.05458	6.5
155.04930	6.3
155.08466	2.5
157.06480	2.2
157.10204	1.5
159.08005	2.6
159.11662	1.7
160.05174	3.7
161.06001	23.5
162.06737	6.1
163.07536	3.6
165.05472	24.0
165.06964	5.8
166.07698	1.8
167.07021	3.2
169.06516	1.9
171.04381	4.2
172.05180	5.6
173.05992	3.4
175.07532	11.6
177.05482	19.0
178.07762	4.5
179.07068	3.5
179.08572	4.3
181.06464	1.8
183.04375	4.5
185.05991	8.8
187.07523	4.9
188.04759	1.6
189.05551	1.9
189.07040	10.9
190.07758	9.9
191.07108	1.8
191.08598	12.1
193.06458	2.5
194.07248	3.1
195.08147	1.9
200.04668	3.8
202.07773	3.0
203.07036	27.2
203.08749	2.9
205.06447	5.0
206.07146	3.1
207.08113	10.2
208.08897	4.1
209.05995	1.6
215.07007	20.4
215.08824	2.0
217.06543	6.3
218.07318	16.2
219.08049	30.6
220.08623	3.3
221.05978	4.9
221.09642	2.7
223.07600	4.9
224.08090	1.4
225.09026	3.0
229.06499	7.2
230.07137	2.3
231.08072	3.1
233.05965	3.6
233.09721	3.3
234.06693	10.6
235.07555	17.8
236.08246	7.9
237.09013	3.7
245.06090	4.5
246.06755	16.3
247.07538	27.8
248.08325	4.7
249.05444	1.9
249.09129	14.7
250.06126	1.9
250.09920	2.8
251.07040	6.8
251.10667	4.4
252.07870	4.1
253.08589	4.9
257.05960	4.4
258.06769	2.5
259.07364	3.0
259.10046	2.1
261.09106	24.5
262.06326	4.5
262.09305	1.6
263.06995	12.5
264.07867	10.6
265.08606	7.6
266.09393	2.6
267.10123	5.7
268.07318	2.9
269.08008	2.7
274.06348	11.1
275.06979	10.9
276.07730	3.1
277.08533	23.1
278.09286	7.1
279.06641	3.2
279.10135	16.3
280.10709	2.6
281.08188	4.4
289.08615	30.7
290.09164	5.6
291.06564	2.7
292.07346	4.8
293.08154	3.5
293.11514	1.6
294.08768	8.8
295.09616	7.4
296.10394	2.5
297.11151	4.1
306.08826	8.0
307.06165	3.6
307.09653	59.5
308.10135	4.3
309.07721	3.7
309.11191	24.2
311.12570	2.9
321.11249	44.0
322.11575	2.3
324.09756	1.7
325.10593	4.6
327.12241	27.5
328.12680	2.2
339.12262	31.5
357.06351	2.8
357.13321	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
55.05492	1.8
56.05035	3.6
56.96560	9.5
57.03426	6.1
61.02925	3.3
61.67651	1.6
62.62206	1.5
67.05502	2.0
69.03442	10.3
70.06593	9.8
70.79128	3.9
71.05017	2.1
72.08148	6.1
73.00780	1.7
73.02905	6.4
76.10303	1.6
81.03400	5.3
81.03849	2.1
84.04470	1.7
84.08145	13.0
84.96023	2.0
85.02892	16.6
86.00933	1.7
86.09711	3.8
87.04498	2.2
90.52710	1.9
92.04995	7.1
94.06572	2.1
96.08112	2.2
97.02900	10.8
98.97562	8.2
99.04410	2.3
106.85822	1.7
108.08114	34.3
109.02885	4.0
110.06050	8.0
110.07157	2.9
112.99169	2.6
113.03475	13.0
115.03941	2.7
116.98615	7.4
119.01905	4.4
123.06833	2.7
124.07579	6.8
127.03922	5.7
128.98640	2.5
129.10220	2.3
131.00171	5.1
131.01913	4.7
132.08141	1.8
133.03482	4.7
133.05089	2.1
134.05995	8.7
134.99609	4.6
136.06168	2.9
136.07590	29.3
136.08563	3.1
137.08344	2.6
138.05423	8.9
146.99612	3.4
148.07588	8.2
149.01299	3.3
150.00645	1.9
150.05513	7.4
152.07054	43.7
153.07828	11.7
153.53778	1.9
154.08641	6.3
158.99667	2.7
160.07600	8.1
161.02979	4.0
162.05565	5.2
162.07877	4.5
163.02779	2.2
163.06328	2.3
164.07085	24.7
165.00764	2.9
166.08658	6.8
167.02109	1.7
173.02966	2.4
175.04559	2.6
176.07059	11.8
177.00784	4.3
177.10228	31.0
178.04939	5.5
178.08591	11.2
180.06552	42.0
180.08032	3.2
182.08205	2.7
183.04999	2.4
184.97650	1.9
185.02902	2.8
186.96663	2.8
187.00301	4.3
188.07080	2.6
189.03551	2.8
190.05014	3.1
190.08578	1.9
192.06546	28.2
193.00233	2.5
193.07246	2.1
193.09746	2.6
194.08128	50.9
195.11328	10.6
196.09601	2.7
197.02751	2.8
204.06528	8.1
205.01350	6.2
205.09763	1.9
208.06059	7.3
211.52042	1.7
212.09120	2.2
219.01857	2.8
219.05298	2.1
219.07216	3.6
220.06071	6.1
221.05075	6.3
221.06853	4.4
221.09210	5.4
222.07605	45.2
229.15613	1.7
231.07283	3.8
232.06091	3.3
236.09149	2.0
237.02815	6.6
240.08647	11.7
245.05116	3.9
246.07538	1.9
250.07094	70.7
257.09235	2.8
261.08716	2.7
262.07092	2.1
264.08694	2.0
267.09991	4.0
268.08221	5.7
274.07083	4.0
275.10342	2.0
276.08560	3.1
282.09714	7.6
292.08026	6.7
294.09775	3.2
297.10886	8.8
300.10687	3.9
303.09717	9.6
310.09207	51.3
314.12329	16.1
321.10394	30.6
322.09573	2.7
328.06635	3.1
328.10239	29.8
339.11871	100.0
355.09198	2.0
357.08182	4.1
357.12866	78.9
357.16678	36.2
357.24911	17.8
358.15060	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	357.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51698	0.9
55.01869	1.5
55.05484	0.9
56.96571	1.3
59.65028	0.9
61.02898	0.9
67.05495	1.5
69.03403	3.1
69.07056	1.6
70.06600	6.2
71.05019	1.3
71.59409	1.1
73.02929	1.1
79.05470	1.7
81.03381	1.9
81.07087	1.7
84.04491	1.7
84.08136	3.0
85.02909	5.1
86.09706	5.0
87.05564	1.0
87.10043	0.9
89.03934	1.0
91.05439	5.6
93.07035	2.1
95.04967	1.7
95.08541	1.3
97.02888	2.3
98.97600	1.5
103.05440	1.6
105.06988	2.3
107.04942	2.0
107.08612	1.2
109.02850	0.9
111.04437	1.0
111.05547	1.5
115.05415	1.6
116.98636	2.2
117.07048	1.2
119.01904	2.8
119.04916	2.1
119.08562	1.8
121.06501	1.4
125.05954	0.9
127.03940	1.6
129.10286	2.4
129.37596	0.9
131.08524	1.2
132.10173	1.3
133.06418	0.9
134.99649	1.0
137.05002	1.3
137.05983	19.4
138.96533	1.0
145.10126	1.3
147.04393	2.2
149.05989	3.9
151.03889	1.7
158.99582	1.2
161.02968	2.6
161.05945	3.6
162.06796	1.7
163.03932	1.4
165.05463	5.8
165.06839	1.3
167.07051	1.7
172.03912	2.2
172.08815	1.2
175.07544	2.7
177.00645	1.0
177.05457	6.1
179.07019	1.0
181.06511	1.3
187.00925	1.3
187.07510	1.0
191.07051	1.3
191.08600	1.4
195.06567	6.1
203.03973	1.5
203.07150	5.7
204.06587	3.7
215.07124	2.3
219.07983	2.7
219.43033	1.1
227.05278	1.6
231.10162	1.6
237.02982	1.0
241.08490	1.4
245.06383	3.4
247.07460	1.7
249.09114	1.4
267.10010	1.0
271.04123	1.7
271.11523	4.5
277.08267	1.7
277.10855	2.2
279.10034	1.5
287.03674	2.3
289.05273	6.5
297.11307	2.2
307.09644	2.3
309.11224	2.5
311.12988	1.7
313.12576	25.4
321.11328	1.6
325.10803	1.8
327.12299	2.5
339.12164	2.7
339.19193	2.1
357.11502	100.0
358.11642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0639
Annotation	IAA-94
Peak:m/z	Relative Intensity
60.60344	0.5
69.03422	4.8
70.06573	2.6
71.35118	0.6
81.07029	0.8
83.04950	0.5
83.06091	0.6
84.04475	1.6
84.08116	1.4
85.02929	0.5
86.09683	1.1
86.83450	0.5
91.05426	2.8
93.07025	0.5
94.04201	0.7
95.04948	0.7
101.02367	0.6
105.07018	4.9
107.04919	0.8
115.05446	0.9
116.07069	1.4
117.07009	3.4
119.08537	1.7
121.06498	0.7
128.06256	2.8
129.07007	4.7
130.07767	1.9
131.08534	2.5
133.06516	1.4
133.10092	2.0
135.08072	0.8
137.05962	3.7
141.06970	1.6
142.07748	5.9
143.08554	4.4
145.06476	3.3
145.09021	1.0
145.10110	11.8
146.07266	1.0
147.08069	3.7
148.08736	0.7
149.09615	1.1
152.06184	1.1
153.06921	1.2
154.07773	1.2
155.08563	6.8
157.06497	4.0
157.10135	6.7
158.07251	13.1
159.08055	6.3
159.11661	0.7
160.08797	1.4
161.05974	1.4
161.09622	3.8
165.05466	3.6
165.06805	0.9
167.07112	0.8
167.08559	2.0
169.10048	1.5
170.07245	1.5
171.08038	14.5
172.08829	21.3
173.05960	1.4
173.09627	14.3
174.06760	1.0
174.10342	1.1
175.07503	1.5
179.08635	0.9
181.04991	1.0
182.07268	1.4
183.08037	2.0
185.05962	1.1
185.09602	13.6
187.07408	1.1
187.11188	0.9
189.09113	3.6
191.10680	3.1
195.08083	1.7
197.09610	1.7
197.12769	0.7
198.06720	2.0
199.07536	1.8
200.08347	1.4
201.09084	12.1
203.06969	1.1
207.10191	3.4
207.11797	0.5
211.07649	0.7
213.09103	7.1
224.13994	0.7
229.08627	1.8
231.06444	0.6
231.10187	1.3
241.08604	6.3
247.09650	1.3
259.07324	0.6
259.09628	3.5
270.09033	0.6
277.10709	100.0
278.10995	2.4
321.11450	0.7
339.12149	1.4
357.06375	83.3
358.06628	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97240	0.7
53.63782	0.6
56.70482	0.6
64.14059	0.6
67.05476	0.7
67.72686	0.6
69.03436	4.7
70.91791	1.6
79.05481	0.9
81.03397	0.8
84.04456	0.8
86.09632	0.9
91.05457	2.3
93.07012	1.0
105.07027	4.2
107.08557	1.0
115.05416	1.6
117.07005	3.1
119.08580	1.5
121.06517	1.0
121.10085	0.8
127.26992	0.6
128.06224	2.6
129.07016	4.1
130.07768	2.3
131.08537	2.9
133.06488	1.8
133.10127	1.3
137.05948	1.5
141.06952	2.0
142.07771	6.3
143.08598	4.2
144.09314	0.9
145.06502	3.2
145.09074	0.8
145.10130	11.2
147.08073	3.9
147.11768	0.7
148.08844	0.9
149.09587	1.4
153.06978	1.1
154.07761	1.8
155.08559	6.0
157.06511	4.6
157.10164	6.0
158.07275	14.2
159.04430	0.9
159.08069	7.2
159.11711	1.1
160.08832	1.3
161.05972	1.3
161.09576	2.6
161.23148	0.7
167.07106	1.0
167.08557	1.1
169.06491	1.3
169.10121	1.6
170.07242	2.1
171.06647	1.0
171.08069	14.6
172.08838	20.0
173.06006	1.2
173.09631	15.7
175.11133	0.9
182.07205	1.8
183.08096	0.9
185.06049	0.8
185.09634	15.1
187.07558	0.9
187.16965	0.7
187.44475	0.7
189.09111	3.9
191.10641	3.6
195.08003	1.8
197.09641	2.0
198.06758	2.1
199.07495	0.9
200.08244	1.3
201.09105	12.0
203.07057	0.8
203.10715	1.1
207.10242	3.8
213.09093	9.3
229.08524	2.4
241.08626	8.4
247.09631	2.6
259.09628	3.1
277.10718	100.0
278.11026	3.5
320.27368	0.9
357.06396	97.1
358.06784	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05511	12.0
56.96556	1.3
57.03419	1.3
57.07065	4.5
62.06090	100.0
62.11199	0.9
65.03969	1.0
65.64685	0.9
67.05509	11.7
69.03440	2.4
69.07076	6.1
70.06606	1.1
70.49608	0.9
71.04983	2.1
71.08617	3.4
71.59931	1.5
74.93185	0.9
77.05389	1.1
79.05501	9.9
81.03432	3.6
81.07057	17.9
83.04980	3.3
83.08635	7.3
85.02876	1.3
85.06557	1.7
85.10182	7.6
86.09691	1.5
91.05476	11.5
93.07037	11.9
95.04967	3.7
95.08613	8.6
97.02901	2.6
97.06536	4.4
98.06062	4.0
98.97564	1.3
99.04462	1.0
99.08085	2.5
105.07034	8.1
107.04979	2.7
107.08570	6.3
108.08167	1.0
109.02850	1.0
109.06503	1.7
109.10141	1.6
110.07137	3.1
111.04482	1.2
111.08076	2.8
113.09644	7.7
117.07052	2.8
119.08623	5.8
121.10168	5.0
123.11700	2.4
129.07007	1.6
131.08583	3.4
133.10118	4.0
135.11734	3.4
137.06007	10.5
143.08566	1.3
145.10126	1.8
147.11757	6.2
149.09685	2.2
149.13264	3.5
151.03900	1.5
151.11211	1.5
155.08540	1.5
157.10211	1.2
159.11671	1.6
160.70799	1.1
161.13319	1.6
163.11163	1.1
165.12788	6.2
167.06996	0.9
189.07132	1.0
195.13867	1.4
204.07158	1.1
208.16960	11.6
210.18546	1.6
217.19530	1.2
218.07248	1.2
222.18529	1.3
226.18021	17.9
235.07434	1.1
236.67181	1.0
238.15688	2.0
238.18024	32.8
238.20433	1.6
239.16397	1.9
240.19601	1.4
241.19389	1.3
256.19070	3.5
257.04642	1.2
259.20645	3.5
264.07449	1.3
277.21609	4.9
307.09543	1.2
311.05582	7.0
311.08676	1.7
320.25848	74.8
321.11127	2.0
321.23730	1.4
321.26520	1.4
327.12262	1.3
338.26892	28.1
339.12219	1.3
356.07861	1.8
356.24918	1.8
356.28607	1.6
357.06116	5.5
357.13297	5.1
374.50955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.1
56.05027	1.8
57.51625	1.7
60.04522	25.2
60.40014	1.6
67.05508	21.6
68.37931	1.6
69.07076	8.7
69.87646	8.6
71.04973	3.4
78.35859	1.7
79.05488	8.1
81.07055	27.1
83.08606	5.6
85.02888	3.0
88.07616	2.1
91.05480	3.6
93.07065	9.0
95.08610	24.3
97.06538	2.3
97.10172	1.8
105.07036	5.8
107.08571	7.7
109.10156	8.6
112.91411	1.6
117.06987	2.0
117.91033	2.0
119.08594	3.9
121.10134	6.7
123.11713	4.1
131.08546	4.2
133.10165	4.5
134.99663	2.3
135.11662	3.5
145.10130	2.3
154.12254	2.4
158.15405	5.1
161.13235	2.2
172.13351	3.3
173.13261	2.4
182.08440	1.8
228.49261	1.7
244.09521	1.9
247.34230	2.0
274.27475	5.9
276.28006	3.3
296.25766	8.6
314.26913	10.8
315.18127	4.0
333.19119	9.3
351.20221	4.1
356.15308	5.3
356.23376	6.2
356.27933	100.0
357.06137	1.8
357.28235	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	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54505	0.4
58.99856	0.9
67.05488	0.9
69.07060	0.5
71.59382	0.7
77.00909	4.9
79.05494	1.0
81.07040	1.6
82.07373	0.5
83.05030	0.5
91.05474	0.8
93.07034	0.8
95.01933	3.1
95.08620	1.5
105.06990	0.9
107.08578	0.5
109.10159	0.6
118.03484	0.5
121.10135	0.8
131.01897	0.5
131.08569	0.5
133.10130	0.5
145.10132	0.7
158.61864	0.5
169.07042	1.0
171.05057	1.0
173.06602	1.0
187.08160	1.7
191.07724	0.7
199.08110	0.7
201.09665	2.1
205.09146	0.6
207.05074	2.7
208.05701	0.4
213.09691	1.6
215.11342	1.1
219.10815	1.5
221.06612	0.7
223.11754	1.1
225.06075	0.9
227.11267	0.9
235.11790	0.5
237.13428	0.9
240.02443	0.4
241.12857	1.6
251.11212	0.8
255.14270	3.1
263.11276	0.6
264.12091	1.5
265.12726	0.9
271.15329	0.7
273.16995	0.9
277.12860	1.0
277.16672	0.7
281.12448	0.5
282.13101	1.3
283.13812	0.8
287.14505	0.5
289.16473	2.4
291.14920	0.9
291.18048	5.1
292.18546	0.6
293.12503	0.5
295.13693	0.5
309.19058	6.0
313.16483	0.7
315.18024	11.1
315.21368	0.9
316.18176	0.5
327.20047	0.8
332.20523	1.0
333.19104	100.0
334.19354	6.8
340.50064	0.5
351.20148	7.8
352.20367	0.7
356.20703	13.6
356.27631	1.0
357.20651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01868	6.3
56.96570	3.4
57.03431	4.6
61.02918	7.5
63.88595	1.7
68.99786	2.9
69.03426	36.3
69.07060	2.5
70.06590	5.5
71.05001	3.9
71.59312	3.5
72.08160	2.1
73.02914	7.9
73.06548	17.8
75.88895	1.9
81.03419	19.4
84.04490	1.9
84.08120	3.5
85.02904	100.0
86.09709	2.4
87.00829	41.8
91.05800	3.0
97.02892	32.4
99.04448	11.0
100.09599	1.9
105.01862	84.2
107.68019	1.8
108.04490	2.7
109.02883	27.6
116.98618	2.5
127.03913	66.1
129.01842	2.8
145.04962	25.0
147.02850	2.5
147.04387	2.7
159.02921	11.5
171.08102	1.8
194.08006	2.6
195.02904	2.4
213.04004	5.6
231.05011	22.6
249.06029	8.3
293.32294	2.0
351.05222	1.8
356.13290	5.8
357.14908	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
56.96561	1.0
57.03422	1.0
60.04523	0.8
61.02919	1.3
65.03940	1.0
69.03423	4.4
70.06571	0.7
70.18810	1.3
70.19205	1.5
73.02891	0.7
79.05470	1.8
81.03431	1.1
84.04483	1.0
85.02902	7.2
87.00827	1.2
87.04446	1.0
91.05402	4.6
95.04941	1.0
97.02886	3.3
98.20806	0.7
98.97589	1.0
101.75043	0.6
103.05445	2.5
105.01857	1.7
105.07034	5.9
107.01308	0.6
107.04971	0.7
109.02939	1.5
109.06540	0.6
110.07139	1.3
115.05443	1.3
116.98613	1.3
117.05755	13.5
120.08107	3.9
122.06007	1.2
123.06770	0.7
123.08087	0.7
127.03902	3.2
130.06493	2.0
131.07266	1.5
132.08086	16.7
133.05220	6.1
134.99661	0.8
135.32457	0.6
136.06209	1.3
136.07573	0.8
137.08356	2.5
138.05513	1.4
142.52769	0.6
147.06726	3.0
148.07567	42.6
149.07829	0.8
150.05511	7.5
150.09131	1.8
160.07585	9.7
163.06285	0.6
164.07100	1.6
166.08630	11.7
176.07066	48.1
177.07402	0.7
194.08121	44.0
243.01947	0.7
296.20313	0.6
309.08063	0.7
338.05984	0.7
338.12457	1.7
356.13376	100.0
357.13681	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05507	36.5
56.96558	12.9
57.03431	17.1
57.07071	48.3
66.94802	3.5
67.05505	64.3
69.07068	52.7
69.77079	6.6
69.77489	14.9
71.04971	5.1
71.08625	48.7
79.05486	23.1
81.07056	100.0
83.04974	4.4
83.08618	40.0
83.71362	3.8
85.06554	5.5
85.10182	9.9
91.05437	9.1
93.07033	16.3
95.04974	3.7
95.07984	5.0
95.08598	77.4
97.06498	9.5
97.10165	34.2
99.08086	6.4
105.07031	20.9
107.08603	23.3
109.10159	41.6
111.08086	4.0
111.11736	14.9
119.08566	13.9
121.10129	14.2
123.11671	18.4
131.08589	7.3
133.10126	15.1
135.11658	10.1
137.09621	6.9
137.13211	8.3
141.12738	11.4
145.10051	7.2
147.11714	10.0
149.13216	7.5
151.11169	4.5
151.14850	3.6
155.08568	4.4
155.12503	3.5
155.14314	17.2
159.11728	3.2
160.40379	4.5
161.13316	10.0
163.14830	8.2
165.12743	8.2
169.85706	4.1
175.14824	7.2
177.71478	3.4
178.42403	3.2
179.14236	4.1
179.17964	3.9
189.16415	3.7
241.11296	4.8
245.22595	17.7
253.25061	5.0
259.12100	5.0
263.23676	12.9
273.22107	3.6
281.24756	6.3
295.24628	12.7
299.25818	5.8
355.21085	7.9
355.28494	80.7
356.29031	4.4
363.09790	3.6
371.20993	3.6
373.21832	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	2.9
55.01873	2.9
55.05256	2.7
55.05512	40.3
56.96553	5.0
57.03437	13.9
57.07074	14.4
65.03941	1.4
67.05504	76.2
69.07069	48.1
71.04987	4.3
71.08625	6.2
73.02937	1.9
79.05498	26.1
81.03386	1.5
81.07058	100.0
82.07430	1.3
83.04971	4.0
83.08618	37.1
84.08907	1.3
85.06530	4.4
85.10181	1.8
85.29108	1.3
88.71186	1.5
91.05479	18.3
93.07042	32.8
94.07372	1.5
95.04958	3.6
95.08609	87.5
96.08936	1.9
97.06541	11.2
97.10164	23.1
99.08094	2.9
103.03988	1.8
103.84869	1.3
105.07028	18.1
107.08592	22.8
109.06540	2.3
109.10157	42.8
110.10528	1.9
111.08074	4.2
111.11736	8.2
113.09631	2.3
119.08577	13.6
121.10130	27.3
123.11709	26.0
125.09705	2.5
125.13223	2.7
129.05478	3.1
131.08566	1.6
133.10118	19.3
135.11688	15.0
137.09639	2.8
137.13246	9.8
139.11206	2.5
141.12784	2.9
142.15906	4.6
145.10150	1.7
146.99649	2.7
147.11691	12.6
149.13243	16.0
151.11140	2.7
151.14804	7.0
153.12784	1.9
155.14281	2.0
161.13258	17.2
163.14813	17.9
165.16368	9.2
167.14317	2.9
175.14841	10.1
177.16373	2.1
179.14264	1.6
179.17949	3.6
181.15855	1.9
189.16414	8.6
203.17986	1.8
229.21718	1.9
245.22667	49.1
245.88159	1.3
263.23706	54.9
263.26566	2.7
264.24115	1.7
265.25351	2.6
315.16312	4.0
333.17255	10.3
337.27377	39.0
351.18542	4.6
355.28491	14.3
356.27902	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46341	1.0
53.03945	2.1
55.01868	2.8
55.05511	46.8
57.03439	15.8
57.07074	12.1
64.25755	1.0
65.03915	1.3
67.05504	76.8
68.05851	1.8
69.07066	53.2
70.30954	4.2
71.04984	3.0
71.08621	5.2
72.10323	1.0
75.04475	1.0
79.05492	29.1
81.07055	100.0
82.07412	1.5
83.04979	4.3
83.08617	40.9
85.06536	6.0
85.10192	3.6
91.05475	21.4
93.06567	1.1
93.07043	36.5
95.04974	3.4
95.08605	82.0
96.08980	1.3
97.06533	9.4
97.10168	24.1
99.04458	1.0
99.08088	3.9
105.07039	15.0
107.08588	23.8
109.06496	2.4
109.10157	39.1
111.08083	5.4
111.11711	7.2
113.09623	1.6
119.08579	17.4
121.10143	27.5
123.08084	2.0
123.11700	21.9
125.09637	3.1
125.86805	1.1
129.05467	1.9
133.10139	21.5
135.11693	15.3
137.09612	2.1
137.13255	8.6
139.11201	2.6
140.40039	1.2
141.12726	1.2
145.10095	1.6
147.11688	14.4
149.13251	13.8
151.11160	1.4
151.14810	7.2
153.12764	1.8
155.14362	1.6
161.13261	15.3
163.14783	8.3
165.12740	1.4
165.16389	6.0
167.14211	1.1
173.13202	1.0
175.14816	9.9
177.16380	1.9
179.14268	1.7
179.17940	4.0
181.15918	2.0
189.16364	4.3
193.04890	1.3
193.15855	1.5
203.17978	2.1
207.17430	1.2
217.19522	1.8
219.21115	1.3
230.83344	1.0
245.22662	36.4
247.24222	1.2
262.22974	1.0
263.23721	44.5
337.27365	29.0
355.24368	3.1
355.28430	19.0
355.33789	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29582	3.4
55.05267	5.0
55.05511	74.2
57.03425	26.1
57.07056	15.4
57.07305	3.6
59.01204	3.9
65.03948	3.8
67.05167	4.9
67.05502	75.3
69.06725	4.6
69.07070	82.1
70.82828	5.9
70.83140	5.1
71.08619	8.4
79.05498	24.9
80.35998	3.3
81.07057	100.0
83.08613	41.7
85.10153	5.0
91.05418	21.7
93.07053	26.8
95.08609	69.6
97.06524	11.5
97.10184	26.2
99.08114	3.8
105.07049	22.6
107.08570	19.0
109.10151	37.4
111.08097	5.4
111.11700	5.9
119.08579	14.1
121.10122	22.3
123.11711	19.0
128.95314	3.6
133.10107	15.6
135.11681	8.4
137.13271	7.7
145.06070	4.3
147.11670	12.7
149.13271	13.9
151.11185	6.9
151.14835	5.3
161.13225	11.6
163.14798	6.4
165.16359	4.6
170.84944	3.5
175.14827	7.2
177.16351	3.5
190.82570	3.2
207.24339	4.0
245.22662	25.5
263.23627	37.7
267.41745	3.7
276.58011	4.0
334.46408	4.4
337.27362	35.5
338.27942	4.4
355.28394	33.9
355.33755	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03937	2.3
55.01859	2.6
55.05270	1.9
55.05510	33.6
56.96524	1.8
57.03440	12.5
57.07077	15.0
62.04383	1.5
65.03948	2.3
67.05502	79.1
69.07066	47.7
69.44744	15.6
70.06583	1.9
71.04993	2.8
71.08619	6.7
79.05489	27.9
79.33383	1.6
81.07055	100.0
83.04989	1.9
83.08614	35.1
83.44716	1.6
85.06512	2.3
85.10194	4.1
88.07581	2.6
91.05470	19.3
93.07034	30.9
95.08602	80.5
97.06525	10.1
97.10165	22.5
99.08092	5.5
105.07018	18.2
106.08633	2.3
107.08600	23.9
109.09454	3.2
109.10154	46.8
111.08083	4.0
111.11704	6.6
119.08572	14.6
121.10137	28.9
123.08051	2.0
123.11687	20.2
125.09588	3.1
127.11192	1.7
129.05447	2.4
133.10112	17.9
135.11684	14.7
137.09631	2.4
137.13271	8.0
139.11104	1.8
141.12740	2.3
147.10686	2.3
147.11650	11.7
149.13251	12.6
151.11162	2.6
151.14767	8.5
153.12790	2.2
161.13228	14.3
163.14754	13.7
165.16351	7.6
167.14284	2.7
175.14806	11.5
177.16418	1.9
179.14279	3.7
179.17924	7.0
181.15892	2.2
189.16385	7.6
193.16013	2.4
207.17361	2.3
229.07471	3.0
230.72414	1.7
245.22633	42.6
246.23067	2.0
247.08444	3.5
259.15228	1.8
263.23688	45.4
264.23969	2.4
265.25272	2.1
267.36612	1.9
337.27368	28.5
338.34286	2.2
355.28433	8.9
356.35165	27.1
366.96744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
53.29747	2.1
55.01868	2.2
55.05511	32.7
55.92422	1.7
57.03434	10.3
57.07072	17.2
65.03976	1.9
67.05505	85.9
69.06720	2.9
69.07070	49.3
69.65662	6.3
69.66074	6.5
70.06578	4.7
71.05002	2.7
71.08623	7.0
72.11347	1.8
79.05491	29.4
81.03416	2.8
81.07058	100.0
83.08621	35.7
85.06535	4.7
85.10199	3.8
88.07612	3.6
91.05455	17.9
93.07049	37.0
95.04967	3.4
95.08608	99.8
97.06522	8.4
97.10175	22.9
99.08099	3.7
105.07036	16.5
107.08593	26.0
109.06492	3.0
109.09447	3.9
109.10157	53.9
111.08088	6.6
111.11748	9.5
113.09610	2.4
119.08575	15.1
121.10147	32.0
123.08105	2.5
123.11708	25.4
125.09634	4.6
125.13271	4.9
125.43558	1.8
133.10143	16.4
135.11688	21.7
137.09624	4.2
137.13260	11.5
141.12808	2.4
147.11699	14.3
149.13225	16.2
151.11223	3.3
151.14821	8.4
161.13239	19.2
163.14824	16.7
165.12811	3.8
165.16441	9.9
175.14822	15.5
175.35825	2.0
177.16422	2.5
179.14261	3.2
179.17909	5.0
181.15997	1.8
189.16406	3.9
191.18140	1.8
203.17920	2.4
245.22655	60.0
247.24155	3.0
263.23721	55.6
264.24084	2.7
337.27371	24.1
341.73804	2.0
355.28552	6.0
356.35300	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	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.28781	4.1
55.05515	37.4
57.03434	12.2
57.07070	10.6
66.88831	4.2
67.05502	80.0
69.07075	46.3
69.55264	27.9
69.55675	7.8
71.08626	7.4
72.82150	4.4
79.05492	26.4
81.07064	100.0
83.08611	33.4
91.05500	18.4
93.07035	25.5
95.08616	78.7
97.06533	7.7
97.10177	29.1
105.07041	10.5
107.08604	18.5
109.10159	50.6
114.51783	4.6
119.08604	15.2
119.31933	3.8
121.10170	27.9
123.11709	20.9
133.10133	15.5
135.11690	16.1
137.09538	3.9
137.13272	13.0
137.19707	4.3
147.11746	13.9
149.13272	17.5
151.14873	5.2
161.13286	11.4
163.14842	14.9
165.16374	5.9
175.14812	11.5
179.17973	5.8
203.17819	4.8
245.22664	46.2
247.53885	4.6
263.23743	43.5
280.06680	4.3
337.27393	30.7
355.28693	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67273	2.4
53.12542	2.5
55.05509	35.5
57.03423	9.4
57.07070	11.3
67.05502	81.9
69.06709	4.2
69.07061	46.8
70.30469	9.5
71.08611	6.0
79.05497	32.5
81.07056	100.0
82.07368	3.8
83.04984	3.9
83.08621	36.0
84.09639	2.2
84.10185	3.0
85.06528	4.9
87.50819	2.1
91.05451	18.6
93.07030	30.1
95.05059	2.4
95.08600	90.8
97.06506	12.0
97.10160	25.8
99.08082	4.0
102.65791	2.2
103.03922	4.7
105.07041	17.6
107.08584	23.6
109.10154	44.0
109.10868	1.6
111.08078	7.9
111.11708	8.2
113.09659	2.3
119.08559	20.0
121.10146	34.0
123.11723	26.9
125.09613	2.6
125.13295	3.0
129.05489	4.2
133.10136	19.7
135.11688	20.7
137.09660	2.7
137.13246	12.8
147.11685	13.7
149.13225	17.8
151.14865	8.0
161.13275	17.1
163.14812	20.2
165.16362	9.3
167.14302	5.2
175.14784	16.1
177.16423	3.1
179.17920	6.4
184.18803	2.4
189.16399	8.2
193.16092	3.2
199.99986	2.3
207.17476	2.8
217.19409	2.5
245.22647	68.6
246.23055	2.6
263.23703	75.7
337.27341	34.1
355.28268	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05508	33.1
57.03427	5.9
57.07067	21.8
67.05499	86.7
69.07067	43.7
71.08628	16.7
71.34334	14.6
79.05487	25.9
79.15147	6.1
81.07050	100.0
83.08617	30.7
91.05472	18.0
93.07032	30.2
95.08602	80.6
97.06535	9.6
97.10165	20.8
105.07034	13.9
107.08582	20.4
109.10136	40.1
111.11690	6.5
119.08572	15.6
119.16115	6.0
121.10117	32.8
123.11702	26.7
133.10121	23.0
135.11684	21.0
137.13228	15.2
147.11693	12.9
149.13319	8.6
156.72244	6.1
161.13258	18.7
163.14815	20.1
167.07169	6.0
175.14801	17.0
189.16397	7.5
194.13045	6.9
245.22630	67.1
263.23730	58.4
306.84537	6.3
324.56604	7.3
337.27158	33.7
355.28107	34.0
356.13583	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	355.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98118	6.0
53.03948	7.0
53.17022	7.0
55.05510	14.1
56.96561	50.0
57.27637	6.3
60.04507	6.9
64.76675	6.1
67.05503	50.4
69.07057	17.3
71.59171	9.0
73.25574	7.0
79.05488	26.4
80.05763	6.3
81.07056	100.0
83.04955	6.5
83.08608	13.3
91.05461	7.6
93.07035	19.4
95.04985	11.4
95.08611	68.5
97.06528	44.8
97.10140	9.0
99.08074	12.2
100.11249	18.2
100.84442	6.6
105.03374	8.4
105.07002	15.1
107.08579	8.6
109.10129	16.4
111.07994	6.4
119.08546	14.7
123.08053	60.1
133.10162	11.3
137.60652	7.2
141.09058	43.4
147.02991	6.7
149.13274	7.9
156.22577	6.6
161.13268	20.2
165.06931	8.1
179.14470	13.1
197.09615	22.7
225.09148	25.8
251.19771	6.4
255.49532	7.1
283.20468	8.4
303.07831	8.1
309.13687	29.3
327.14795	78.6
337.19327	9.1
350.16299	19.0
351.18777	8.2
353.19669	7.2
355.20688	66.4
355.26544	7.4
373.21634	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	355.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01867	3.2
55.05505	6.1
56.96555	1.7
57.07079	1.6
61.01158	6.4
66.83215	1.5
67.05502	9.2
68.76607	1.4
69.03429	4.6
69.07069	9.3
70.94087	3.1
71.04984	1.8
73.02928	3.8
77.00618	6.0
79.05496	9.8
79.21526	1.3
81.03420	8.0
81.07053	21.7
83.04955	2.9
83.08622	3.4
85.02903	2.6
85.06522	1.4
91.05473	22.4
93.07053	8.7
95.04967	4.0
95.08604	10.4
96.64649	1.5
97.02889	2.5
97.06533	14.8
97.10171	1.7
98.97559	7.2
99.04487	2.5
103.05445	2.4
105.00089	2.0
105.07033	25.4
107.04935	2.6
107.08583	4.4
109.02841	1.7
109.10181	3.5
115.05494	8.4
116.98633	6.8
117.07027	30.6
119.04936	2.0
119.08559	11.4
121.06448	2.0
121.10126	3.7
123.04438	1.4
123.11732	2.6
127.03896	3.2
128.06207	13.4
129.07008	28.1
130.07787	5.5
131.01671	1.6
131.08574	23.9
133.06537	2.1
133.10168	3.5
134.99615	1.4
135.04404	1.8
135.08064	1.8
137.05983	4.7
141.06985	5.7
142.07805	9.1
143.08568	64.2
145.06461	1.8
145.10127	78.8
147.02708	1.8
147.08058	3.1
147.11702	9.9
149.06052	2.8
153.06934	2.5
154.07707	2.7
155.08548	11.6
156.09331	11.0
157.06465	3.4
157.10138	14.1
158.99701	2.7
159.08052	2.1
159.11700	4.0
161.04228	2.1
161.05972	7.6
161.13235	1.6
163.03923	2.1
165.06995	2.7
165.12680	1.7
166.07799	4.2
169.06468	1.8
169.10121	5.7
171.08003	3.8
171.11696	100.0
172.12361	1.9
173.09589	4.8
173.13268	12.3
175.07533	3.9
177.00749	4.4
179.08563	1.5
181.06514	1.7
181.10118	13.7
183.07948	1.9
183.11653	4.2
184.08900	1.9
187.07541	2.4
187.11226	5.8
189.09094	2.5
189.12704	1.9
191.10701	2.2
193.10014	1.7
197.09601	2.7
199.03844	1.4
199.07553	1.9
199.11192	24.7
209.09637	1.8
215.10710	2.1
217.10457	5.2
217.12253	76.8
227.08789	2.2
227.10738	10.7
241.08383	2.3
245.09843	5.0
245.12091	6.8
256.15146	1.4
263.11008	14.0
265.15738	3.3
267.13992	2.0
273.09485	2.8
274.16119	10.9
286.16245	2.2
291.10532	8.7
309.11523	11.6
337.10983	3.4
355.11774	4.6
355.15512	10.2
355.19327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.0
55.05505	13.4
57.03445	7.1
58.60315	2.8
61.01150	25.2
65.58643	3.3
65.70999	3.0
67.05505	17.8
67.40171	2.7
69.03426	10.2
69.07070	6.4
69.48500	16.6
69.48914	8.4
70.06581	5.0
71.04993	4.6
77.00640	13.5
79.05492	24.4
79.82334	2.7
81.03434	7.9
81.07045	21.8
83.04977	11.3
84.08143	3.3
85.02907	8.0
89.00619	6.6
91.05463	49.4
93.07039	31.2
95.04971	23.8
95.08616	13.3
97.01102	5.0
97.02843	3.3
97.06544	11.4
98.20699	5.1
99.04459	3.3
103.05479	9.0
105.07031	71.2
107.04966	5.2
107.08597	16.6
109.02901	3.6
109.06522	9.8
109.10198	3.4
111.04438	3.7
115.05460	13.1
116.06241	4.1
117.07006	58.7
119.08585	38.2
121.06494	21.3
121.10125	6.7
123.08035	3.8
128.06215	37.7
129.07011	57.3
130.07780	13.5
131.04955	4.1
131.08565	49.4
133.06516	17.3
133.10152	15.2
135.01176	3.9
135.02592	3.2
135.08072	13.1
135.11696	8.2
137.06073	5.2
141.06963	23.4
142.07768	24.0
143.08563	86.7
145.06493	33.8
145.10129	84.2
146.07303	4.4
146.10457	3.0
147.02638	3.1
147.08043	26.5
147.11705	7.2
149.04184	6.4
149.09624	6.6
153.07016	11.5
154.07777	9.6
155.08553	32.6
156.09340	22.2
157.06532	9.2
157.10135	41.0
158.07281	11.5
159.08067	32.4
159.11705	12.3
161.04167	4.7
161.05980	4.8
161.09630	18.9
161.13251	5.4
163.05840	5.4
163.07558	4.7
163.11221	11.1
165.05695	3.3
165.06966	14.8
165.09111	3.2
166.07765	23.8
167.08490	6.4
168.09326	6.6
169.06514	6.9
169.10109	14.8
170.07385	4.0
171.08072	26.8
171.11687	75.2
172.08821	3.7
173.09630	84.3
173.13257	5.5
174.10384	10.0
175.05801	4.0
175.07584	9.6
175.11159	21.0
179.07016	3.1
181.10117	52.2
181.11629	5.2
183.08005	3.6
183.11720	11.3
184.08858	10.6
185.09589	21.7
187.05710	4.2
187.07550	5.1
187.11153	19.8
189.07507	5.4
189.09132	14.6
189.12747	24.1
191.09065	5.3
191.10655	26.1
197.09625	11.6
199.11168	77.8
201.12755	6.3
203.08929	3.7
203.10686	11.1
209.09602	10.2
211.11134	5.1
215.10695	13.4
217.06944	3.6
217.10443	5.7
217.12250	52.3
219.08350	5.7
227.08934	7.1
227.10698	35.7
233.09956	4.1
235.11407	4.1
245.09830	13.2
245.11958	38.0
249.09442	7.4
251.11041	4.6
261.09396	5.9
263.11029	23.1
273.09445	11.8
277.08774	3.5
279.10587	9.7
281.12027	4.7
291.10510	34.4
309.08594	5.0
309.11578	41.5
319.09982	8.3
337.11029	100.0
355.11923	17.7
355.16559	5.9
369.66519	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.96564	0.9
58.24244	0.5
59.60008	0.6
59.68392	0.7
59.94871	0.6
61.70367	0.5
63.08619	0.6
67.29166	0.5
69.03397	0.6
69.07028	0.7
69.89718	3.9
81.03404	0.8
84.08105	0.7
85.02902	1.8
91.05828	0.9
98.20808	1.1
98.97521	1.1
122.03603	1.2
133.02849	19.2
137.05998	4.7
149.05951	1.5
150.03117	1.5
165.05505	1.8
178.02640	9.2
193.04959	100.0
194.05321	1.6
259.07321	1.0
341.00888	0.6
355.13593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.2
58.32487	1.8
65.03942	12.6
67.05502	3.2
69.03424	6.5
70.06572	5.5
71.58748	2.7
72.08128	3.0
73.04743	2.8
79.05445	3.9
81.03408	2.9
81.07056	4.9
83.77266	1.7
84.04478	2.5
84.08131	4.1
85.02905	5.6
86.09696	4.0
87.07953	2.4
91.05769	10.1
93.03394	4.0
93.07027	2.8
95.05010	2.3
95.08574	1.8
97.02847	2.8
97.06535	2.2
98.97605	2.7
105.03400	1.8
105.06968	2.6
107.04950	5.2
109.06519	2.8
110.03636	2.9
111.04438	32.0
114.10233	2.3
115.05453	33.4
116.98643	2.5
117.07005	6.5
120.08109	2.0
122.03640	4.3
122.06043	2.2
123.04410	2.2
125.06006	18.8
128.06168	2.6
129.06992	2.3
130.96834	1.9
131.04886	1.9
132.05687	2.3
133.01991	1.9
133.02858	15.7
137.05975	41.5
138.03043	1.8
143.04874	9.0
144.05672	10.6
145.06390	2.0
146.99638	1.9
147.08031	2.3
151.03889	5.8
153.05464	18.8
160.03908	3.0
160.05194	44.7
161.05927	5.3
162.05743	2.6
163.03966	2.8
163.07585	2.1
164.07066	2.8
165.05449	3.9
166.02666	5.7
167.06967	2.1
173.09479	1.9
174.05495	6.7
175.05855	8.8
175.07536	100.0
178.02621	8.5
179.03395	3.5
181.04962	47.8
189.07039	4.6
191.07025	2.1
191.87244	1.9
192.06535	2.2
193.04970	82.9
193.06682	5.0
193.08559	3.0
194.07291	4.9
203.07027	61.5
205.06430	4.5
206.07211	5.2
217.06555	3.3
218.07268	2.8
219.07968	2.8
221.06030	3.8
222.06717	9.9
231.06490	10.8
233.05804	2.6
234.06770	19.6
237.02808	5.9
237.09114	16.4
247.07602	2.7
248.08311	5.2
249.05429	3.8
249.09140	12.1
250.06206	6.5
251.07050	2.9
262.06223	9.9
263.06961	2.4
264.07819	6.2
265.08582	24.6
266.09329	3.2
277.08551	43.6
282.08960	2.4
291.10117	4.3
292.07236	5.9
293.07977	12.6
297.11127	12.3
305.08066	6.4
306.08801	2.0
307.09598	14.0
309.11292	9.8
322.08237	3.2
325.10712	11.5
337.10614	17.2
338.11942	2.1
355.07135	5.0
355.11865	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	355.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.4
56.99993	5.0
60.17510	4.9
65.51595	4.7
71.59709	8.1
73.04757	8.8
84.96016	5.2
91.05797	57.5
98.97587	26.7
99.04444	5.0
102.72308	4.4
110.97567	8.3
116.98602	26.6
128.98586	26.8
134.99658	21.1
146.99638	26.5
149.01263	7.8
178.09721	9.1
193.04866	6.8
204.07745	13.5
219.01791	34.2
229.03870	10.3
237.02835	100.0
255.03903	6.2
268.97839	11.3
285.00980	16.7
303.02023	10.7
338.13388	34.3
355.06454	28.9
355.10706	9.2
355.16196	11.8
373.08112	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	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.05502	0.6
55.17097	0.5
65.03894	0.4
70.87292	0.4
71.34410	0.9
74.44601	0.4
79.05486	1.3
83.04969	1.1
84.08129	0.6
88.39608	0.4
89.03923	7.5
95.04965	0.9
107.04944	3.0
117.03372	10.5
118.17262	0.6
135.04414	21.7
145.02835	11.2
145.03966	0.7
163.03902	100.0
164.04240	2.2
201.16431	0.6
269.95084	0.6
355.06912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02231	4.8
55.01888	5.7
55.05491	10.9
56.96554	17.4
57.03437	9.1
62.06089	100.0
67.05509	30.9
69.03436	12.2
69.05131	4.8
69.07066	24.7
69.95026	4.6
70.51442	4.2
70.76356	11.1
70.76711	8.1
71.04990	10.1
79.05489	25.2
81.03413	11.9
81.07059	30.2
83.04983	6.6
85.06561	5.8
91.05479	22.7
93.07043	35.7
95.04958	6.3
95.08612	23.4
95.66606	5.0
97.06534	28.2
101.21806	5.3
105.07030	23.4
107.04915	5.1
107.08603	16.2
109.10199	8.4
111.08222	5.6
117.07056	8.6
119.08581	24.5
121.10157	14.0
125.09648	7.7
131.08562	11.7
133.10138	8.0
135.11673	5.3
138.12869	5.0
143.08586	5.5
145.10146	13.6
147.11693	9.6
157.10127	8.4
159.08064	8.0
163.03914	6.6
173.06052	5.8
173.13213	6.8
187.14864	5.6
199.07585	6.2
199.11310	5.3
210.14925	15.1
228.16037	16.0
245.11690	17.6
246.91029	5.8
275.19864	10.9
318.24347	19.6
319.08838	5.4
336.25351	99.2
337.09998	6.3
337.25070	5.5
354.22589	8.0
354.26633	32.4
355.15417	21.7
366.79358	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	354.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
53.24273	2.7
55.01868	6.1
55.05510	24.3
56.05040	17.9
57.03428	5.1
57.07067	3.8
60.04510	11.2
62.06076	5.2
67.05505	37.9
68.05837	6.1
69.07068	26.2
70.06573	3.3
71.04988	4.2
71.08630	6.9
71.59299	5.2
79.05486	22.3
80.05836	3.4
81.07053	31.0
82.06574	6.4
82.07372	8.0
83.05025	3.2
83.08606	9.5
90.45328	2.9
91.05442	14.3
93.07039	25.0
94.06548	10.9
95.04964	6.4
95.08611	29.8
96.08941	6.8
97.06551	3.0
97.10149	3.7
99.08090	5.6
105.07067	7.0
106.06658	2.8
107.04922	3.2
107.08588	12.1
108.08131	5.5
108.08841	3.4
109.06539	3.8
109.10154	27.7
110.10501	4.0
111.11741	3.0
119.08576	12.0
121.10136	6.5
125.09643	6.8
131.08620	4.5
133.10132	7.7
135.11655	6.4
136.11171	3.3
137.09598	12.2
138.12691	3.1
140.14310	3.9
140.62305	3.2
146.11769	2.6
147.11678	5.5
151.11131	3.3
151.48651	3.1
152.14276	4.3
154.12262	100.0
155.12579	3.7
161.13242	3.4
166.15945	7.6
167.10655	3.9
172.13341	46.0
173.11729	6.0
182.15347	4.9
196.13319	35.5
212.16577	4.5
214.14436	13.3
224.16470	3.7
248.86421	3.1
248.89131	2.8
276.23215	8.5
277.21631	15.3
290.24741	3.5
294.24310	25.2
308.25836	43.5
318.24219	7.4
336.25241	12.8
354.26453	80.4
355.18216	3.7
373.22473	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	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72554	3.0
55.01876	5.2
55.05507	19.7
56.05029	6.0
56.96558	6.2
57.07076	6.4
60.04513	8.6
60.95854	4.5
62.06076	4.9
63.47606	3.2
67.02856	3.2
67.05501	34.0
69.07055	18.0
70.06590	5.3
71.08623	14.9
71.59998	5.4
79.05492	24.7
79.81099	3.2
80.05006	7.1
81.07055	38.5
82.06586	8.7
82.07390	4.9
83.04967	3.3
83.08609	9.4
85.02923	3.2
86.53056	3.6
91.05440	17.0
93.07056	29.0
94.06558	10.7
95.04948	5.2
95.08593	28.6
97.06500	7.5
97.10152	10.0
99.08070	6.5
100.11298	3.7
105.07018	15.0
107.08585	17.0
108.08104	9.3
109.10146	11.1
111.08050	4.9
119.08601	12.4
121.10135	8.9
123.11706	7.1
124.11269	3.3
131.08560	3.5
133.10121	12.0
135.11720	12.4
138.12767	4.1
140.88797	3.1
143.08623	3.8
145.10075	8.6
147.11691	7.5
149.13257	4.6
151.11183	5.2
152.14319	3.7
154.12257	15.2
159.11777	3.9
160.48486	3.5
161.13231	5.2
163.11166	3.4
172.13356	7.8
177.12682	4.7
182.15393	5.4
199.14738	3.8
206.15359	7.4
208.13368	6.1
212.16470	5.9
219.06093	3.4
220.56744	3.6
224.16487	4.7
259.20563	9.8
262.22586	8.9
274.21545	10.8
276.23212	31.4
277.21518	23.7
278.21881	4.6
290.24661	5.2
292.22549	4.8
294.24261	100.0
295.22601	6.0
308.25861	39.6
318.24124	5.9
336.25385	16.5
354.22723	3.0
354.26395	81.4
355.18478	27.1
355.26712	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.89680	3.7
55.05500	9.8
57.03414	5.8
67.05164	7.2
67.05502	100.0
69.00030	3.9
69.07057	14.1
70.81594	7.6
71.08662	3.9
79.05481	43.3
81.07053	89.1
83.08635	7.0
91.05467	18.4
93.07050	48.7
95.04955	4.5
95.08611	76.4
105.07030	16.2
107.08590	39.1
107.27642	4.6
109.10162	43.2
117.07016	12.8
117.61988	3.5
117.68211	4.3
119.08596	16.9
121.10147	29.2
123.11707	26.5
131.08565	19.4
133.10133	14.1
135.11649	26.8
137.13354	5.8
141.26376	4.5
144.78883	3.7
145.10146	16.5
147.11714	11.8
149.13261	20.5
159.11736	8.6
161.13295	9.4
163.14796	9.1
173.13278	12.7
180.91283	4.2
187.14827	9.4
243.21086	18.3
249.71649	4.3
261.22116	79.4
279.23236	5.7
335.25784	8.2
353.26764	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60081	2.3
52.65304	2.2
53.03941	2.9
55.05504	16.3
57.03416	2.9
57.07066	7.9
67.05502	92.4
69.07070	16.1
69.60348	17.8
71.08611	6.2
77.35917	2.1
79.05492	64.3
81.06577	5.2
81.07054	98.5
83.04984	3.6
83.08614	8.0
85.06529	4.8
91.05481	34.2
93.07040	86.1
93.07627	4.5
95.04964	7.8
95.08604	73.3
97.06525	4.2
99.08075	7.7
102.19893	2.6
105.07030	28.4
107.08592	53.1
109.06529	3.7
109.10159	30.9
113.09660	2.8
115.05379	2.2
117.07014	12.3
119.08580	14.7
121.10142	37.5
123.11711	17.0
131.08583	30.7
133.10127	13.4
135.11697	37.5
137.13231	8.5
145.10130	23.7
147.11668	16.1
149.13269	27.5
151.14775	3.3
151.83249	2.6
159.11717	14.9
161.13249	10.5
163.14856	21.6
173.13260	24.0
175.14851	3.6
177.16380	9.8
179.14302	3.1
187.14812	13.1
233.22659	8.5
243.21103	32.5
261.22134	100.0
279.23010	3.3
335.25940	4.3
353.26523	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	4.3
55.01876	8.5
55.05510	35.2
56.96561	6.1
57.03450	13.7
57.07078	9.6
60.95853	2.8
65.03925	2.9
67.05504	85.1
68.05833	3.8
69.03429	2.8
69.07066	53.9
69.24638	1.7
69.62824	7.6
69.63233	4.2
70.07407	2.1
71.04973	5.4
71.08615	8.1
71.69728	2.0
79.05058	3.6
79.05492	56.9
80.05808	3.8
80.73913	1.9
81.07057	100.0
82.07414	2.6
83.04967	7.3
83.08614	14.0
84.08936	1.7
85.06527	7.5
85.10170	2.2
91.05467	23.2
93.07044	68.7
94.07378	4.1
95.04972	6.2
95.08605	76.5
96.08933	2.2
97.06535	10.3
97.10165	12.5
98.21474	3.5
99.08085	7.3
105.07040	17.8
107.07872	2.5
107.08590	37.5
109.06522	3.1
109.09443	3.2
109.10156	34.5
111.08071	2.7
111.11713	2.3
113.09641	2.3
117.07025	9.6
119.08602	14.0
121.10151	39.1
122.10435	2.0
123.08101	3.1
123.11698	12.4
125.09630	4.6
131.08565	14.5
133.10161	11.7
134.10416	2.1
135.07993	2.1
135.11693	21.2
137.09547	1.7
137.13261	8.6
139.11171	11.7
145.10136	12.2
147.11687	8.0
149.09608	4.1
149.13275	15.9
151.11183	2.7
151.14841	4.9
153.12759	5.0
154.12241	6.1
155.12602	5.6
159.11707	8.5
161.13237	9.1
162.13724	2.0
163.14827	13.6
173.13309	13.0
175.14825	3.4
177.16377	5.1
179.14311	3.0
187.14798	7.2
189.11247	4.0
191.14424	2.7
196.13290	2.0
209.15280	3.1
233.06778	3.7
233.22552	5.7
235.08409	2.7
239.26567	1.9
243.21103	16.2
251.23645	3.2
259.08511	3.5
261.22156	51.8
276.20255	2.5
279.23148	28.6
326.44498	2.0
335.18497	1.9
353.13773	1.9
353.19662	6.6
353.26843	50.9
354.26923	2.8
371.20746	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	5.0
55.05507	15.5
57.03428	3.4
57.07067	5.4
65.03959	2.8
67.05505	87.3
68.99792	3.3
69.07059	12.1
69.91063	12.5
71.08648	4.3
77.62192	2.5
78.66122	2.4
79.05486	60.5
81.07054	98.0
83.08614	7.7
85.06562	5.3
88.31403	2.4
91.05473	28.9
93.07045	74.0
95.04974	6.8
95.08604	81.6
97.06528	5.0
97.10142	2.4
98.21478	3.9
99.08109	4.1
105.07018	21.8
105.50581	2.9
107.08594	48.9
109.10159	26.8
111.08105	2.7
112.03396	2.5
117.06990	12.1
119.08581	12.5
121.10136	34.8
123.08099	3.1
123.11694	12.2
131.08545	23.5
133.10129	9.4
135.11688	28.6
137.13272	7.9
145.10124	18.1
147.11658	16.2
149.13248	20.6
151.14857	4.3
153.12691	3.2
155.43350	2.6
159.11687	17.8
161.13286	14.1
163.14818	12.4
173.04750	2.3
173.13252	17.4
175.14914	3.1
177.16383	7.9
178.93671	2.8
186.24580	2.3
187.14851	11.1
201.16403	4.5
217.19727	2.4
233.22668	9.9
241.34789	2.5
243.21063	37.8
261.22131	100.0
279.23178	2.8
317.25076	2.6
335.25812	5.8
352.81128	2.5
353.26874	9.9
359.29758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05510	13.8
57.03433	6.2
57.07065	4.7
65.03935	4.1
67.05502	98.6
69.07065	15.3
69.48751	16.0
71.08627	3.8
73.32220	1.6
77.92173	1.6
79.05492	55.9
79.18166	2.0
81.07054	100.0
83.04973	2.0
83.08599	9.2
85.06531	3.8
91.05477	30.3
93.06464	4.0
93.07039	66.1
95.04971	5.1
95.08604	87.6
97.06531	3.9
97.10172	5.0
99.08069	5.7
103.76788	1.9
105.07028	17.4
107.08595	44.8
109.06480	2.1
109.10159	28.5
111.08080	2.4
113.09595	3.7
117.07012	8.4
119.08575	15.1
121.10139	37.9
123.11694	16.2
131.08556	24.6
133.10123	13.6
135.11697	27.7
137.13246	10.5
139.11162	2.5
145.10133	17.0
147.11707	9.7
149.13266	21.6
151.14801	4.9
153.12677	2.9
159.11688	13.9
161.13266	11.3
163.06781	1.8
163.14804	17.7
173.13245	17.3
175.14832	4.9
177.16360	6.3
179.14360	2.6
187.14827	11.6
201.16393	2.3
205.15939	1.7
233.22655	6.7
243.21094	34.4
243.23576	2.1
261.22128	81.2
279.22980	3.5
292.18982	2.1
335.25760	11.0
337.20578	1.7
353.26767	5.6
370.59286	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.7
55.01860	6.6
55.05257	2.9
55.05511	43.5
57.03438	20.0
57.07065	7.2
59.04997	3.0
65.03945	2.5
67.05502	95.1
68.05818	1.8
69.03422	3.8
69.07067	48.1
71.04978	4.8
71.08629	29.7
71.59872	2.1
79.05490	48.0
81.07054	100.0
83.04982	4.9
83.08604	21.5
85.06548	4.9
91.05479	20.6
93.07042	54.8
95.04955	5.5
95.08603	72.1
97.06525	12.1
97.10158	19.9
98.36308	1.5
99.08089	22.5
105.07028	18.0
107.08589	36.6
109.06532	2.8
109.09447	3.4
109.10156	48.3
109.10917	2.4
111.08070	7.2
111.11720	3.3
113.09665	2.0
117.06987	8.8
119.08572	13.8
121.10147	24.7
123.08051	2.7
123.11700	15.6
125.09644	12.0
128.02898	1.5
128.23788	1.5
131.08580	13.6
133.10153	11.1
135.08025	3.0
135.11705	26.2
137.09621	2.9
137.13240	10.2
138.90024	1.6
145.10127	12.3
147.11656	15.5
149.09676	2.1
149.13254	17.9
151.14854	2.8
153.09125	3.0
153.12772	6.9
159.11650	10.2
161.13272	7.9
163.11232	1.9
163.14809	12.8
165.12749	6.0
171.10178	1.6
173.11751	4.3
173.13275	12.3
175.14867	3.9
177.12680	1.7
177.16455	3.0
179.14380	2.2
181.12294	1.7
181.15816	2.6
187.14847	6.2
189.11176	7.6
191.14294	2.3
201.16460	2.0
209.15436	1.8
215.62506	1.6
233.22693	2.4
239.26186	1.9
243.21075	13.6
261.22116	47.8
262.22598	2.3
279.23178	24.5
335.25723	4.7
353.26904	53.2
354.27023	2.2
354.33395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.05515	12.1
57.03426	4.7
57.07066	5.7
65.03923	2.8
67.05502	76.2
69.07070	12.7
69.91843	10.1
71.05001	3.5
71.08643	2.8
75.04507	2.1
79.05489	39.6
81.07054	79.3
83.08623	6.9
85.06521	2.5
91.05482	21.1
93.07041	56.6
93.92804	1.7
95.04961	3.1
95.08602	62.4
97.06557	2.3
97.10165	2.0
105.07027	16.6
107.08596	34.7
109.10151	32.0
109.10880	1.1
111.08089	2.3
117.06992	9.0
119.08579	15.2
121.10135	31.6
123.11694	18.0
131.08578	21.0
133.10117	15.2
135.11684	28.5
137.13261	8.0
145.10107	13.4
147.11673	9.3
149.13228	18.7
151.14796	2.0
159.11696	16.5
161.13214	8.7
163.14835	12.5
171.11642	1.6
173.13280	20.2
175.14832	3.9
177.16422	4.6
187.14803	10.3
191.14270	2.2
201.16379	4.3
233.22644	5.4
243.21089	23.8
261.22128	100.0
279.23148	2.4
335.25803	5.4
353.26868	22.3
355.57303	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.8
56.96566	9.4
57.03441	5.6
57.07070	6.5
62.49194	4.2
66.46403	3.8
67.05497	88.8
67.70696	3.5
69.07053	15.9
71.59603	5.2
71.59977	3.9
79.05495	50.8
81.06582	5.7
81.07053	100.0
82.69736	3.9
83.08605	11.4
85.06528	6.3
91.05472	23.0
93.07043	52.3
95.05000	8.1
95.08605	86.0
97.06494	4.9
97.10178	5.3
105.07019	20.8
107.08584	34.3
109.10161	41.2
109.54848	3.7
117.06976	8.5
119.08588	23.0
121.10136	38.1
123.11727	22.2
128.35757	3.8
131.08572	24.9
133.10138	18.5
135.11684	22.8
137.13237	9.1
145.10103	18.8
147.08099	4.1
147.11725	8.6
149.13269	21.9
151.14894	4.7
157.10202	4.2
159.11687	11.1
161.13235	14.4
163.14844	11.4
173.13240	15.3
175.14838	4.4
177.16365	6.3
187.14853	8.9
195.11717	4.3
201.16492	4.1
243.21074	15.5
261.22086	65.5
325.14413	4.0
335.26035	5.2
353.26715	16.5
354.26404	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.39700	2.3
55.05508	13.7
57.03436	6.6
57.07059	5.9
65.03934	3.1
67.05503	82.7
69.07072	14.6
71.04987	3.1
71.40303	3.9
76.16895	2.5
79.05486	38.2
81.07055	100.0
81.20621	2.3
83.04951	2.4
83.08617	4.9
85.06509	2.4
91.05488	21.3
93.07041	54.6
95.05000	4.1
95.08606	72.5
97.06503	4.0
97.10185	3.6
105.07011	17.6
107.08591	32.7
109.10150	37.5
116.81500	2.4
117.07047	9.2
119.08574	15.7
121.10130	30.6
123.01579	2.5
123.11699	24.4
124.99728	2.4
129.06931	2.7
131.08574	18.6
133.10110	12.6
135.11694	25.3
137.13223	8.2
145.10114	15.0
147.11694	9.4
149.13249	21.1
151.14848	3.3
159.11668	14.9
161.13257	11.5
163.14795	14.0
173.13274	12.7
175.14915	3.4
177.16534	2.6
187.14851	9.3
233.22586	3.1
243.21025	23.1
246.47198	2.7
252.50534	2.6
253.45206	2.5
261.22150	84.9
279.23175	4.9
335.25861	10.1
353.26797	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46113	2.1
53.03940	2.1
55.05514	13.4
57.03451	3.9
57.07066	3.8
67.05504	94.2
69.07072	11.2
71.04990	3.7
71.12077	3.7
71.12429	3.5
79.05495	50.2
81.07056	90.6
83.08635	5.7
85.06562	3.7
91.05489	23.5
93.07046	64.9
95.04962	4.3
95.08605	67.3
97.06554	2.3
99.01871	1.9
99.08118	2.7
105.07023	16.8
107.08595	37.2
109.10155	29.6
111.08127	2.1
117.07043	7.5
119.08576	15.6
121.10138	33.4
123.08045	2.4
123.11719	21.5
131.08592	18.4
133.10136	12.9
135.11705	28.0
137.09552	2.9
137.13272	5.5
145.10155	15.4
147.11685	10.2
149.13277	19.0
151.14786	3.2
153.12894	2.0
159.11710	16.1
161.13246	10.4
163.14812	13.8
173.13258	14.3
175.14807	4.4
177.16425	5.0
187.14832	10.9
201.16402	2.7
209.15103	2.0
210.43373	2.2
219.17487	2.2
233.22661	3.9
243.21150	21.2
261.22150	100.0
261.73431	2.0
262.22501	5.5
279.23224	4.2
335.25845	7.2
353.26904	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	1.9
55.05510	10.5
57.03424	6.2
57.07066	3.8
61.91903	1.6
65.03932	1.5
67.05502	94.5
69.07066	12.2
69.60096	7.1
69.60513	4.4
71.05000	3.6
71.08646	1.5
72.69286	1.4
79.05053	2.5
79.05492	37.9
81.07054	100.0
83.08636	7.6
91.05470	18.9
93.07041	53.3
95.05005	1.8
95.08605	71.5
97.06539	2.7
97.10175	3.7
97.40636	1.7
99.08091	2.2
105.07023	13.6
107.08595	30.0
109.06472	1.8
109.10165	34.7
109.10909	2.4
113.09610	1.9
117.07002	7.1
119.08573	13.7
121.10139	28.6
121.81786	1.6
123.11713	20.3
131.08574	18.2
133.10133	12.4
135.11688	20.4
137.09534	2.2
137.13237	6.8
145.10132	13.6
147.11678	8.3
149.13257	15.1
151.14824	2.3
159.11697	10.7
161.13272	8.1
163.14793	8.9
173.13264	12.0
175.14841	2.5
177.16446	4.4
187.14784	9.1
197.54553	1.5
201.16428	1.6
205.15849	2.0
233.22571	3.3
243.21135	18.1
261.22116	66.2
263.23892	1.7
279.23206	6.5
335.25735	9.8
353.26852	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.05510	16.0
57.03431	4.9
57.07069	4.9
58.78707	2.0
65.03951	3.0
67.05505	88.7
69.07066	13.9
69.88952	9.1
69.89364	4.8
71.04985	2.4
75.84225	2.4
79.05490	47.4
81.07055	93.6
81.41742	2.2
83.08630	6.4
91.05482	23.8
93.07043	67.5
95.04966	3.3
95.08605	69.8
97.06538	3.2
97.10164	3.7
98.20773	2.2
105.07024	19.2
107.08589	39.0
109.06485	3.0
109.10155	35.8
112.49310	2.0
117.07005	9.6
119.08594	14.3
121.10149	33.0
123.08121	3.0
123.11707	23.0
125.09622	2.8
131.08588	21.3
133.10097	12.2
135.11693	29.5
137.09747	2.5
137.13242	7.3
145.10156	16.6
147.11688	12.5
148.12668	2.2
149.13257	19.4
159.11722	15.1
161.13206	11.7
163.14766	14.4
165.12772	2.3
173.13251	19.3
175.14801	4.6
177.16385	6.1
187.14827	8.6
201.16521	2.5
203.84169	2.1
233.22643	4.8
243.21109	26.4
261.22137	100.0
279.23090	3.6
290.98605	2.3
335.25854	7.9
353.26920	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.95321	1.5
53.03936	2.1
55.05506	11.7
57.03422	5.6
57.07071	2.7
59.09390	1.7
60.37384	1.4
65.03945	2.8
67.05505	93.4
69.07070	11.7
70.20148	3.5
70.20540	4.2
71.04973	2.4
75.04512	1.9
77.03885	1.5
79.05055	3.0
79.05492	44.9
81.07059	100.0
83.04977	2.6
83.08634	7.3
85.06530	2.9
91.05479	23.4
93.07045	53.9
95.04961	2.4
95.08609	74.1
97.06570	1.9
97.10154	3.7
98.21506	1.6
99.08074	2.8
105.07034	17.6
107.08597	31.8
109.06513	1.5
109.10153	36.2
111.08043	1.8
115.44506	2.0
117.07034	9.3
119.08588	16.0
121.10143	26.5
123.11703	20.5
131.08578	16.7
133.10139	12.7
135.11707	21.9
137.09636	2.6
137.13240	6.4
139.11192	2.0
145.10132	12.5
147.11687	7.1
149.13248	17.8
151.11261	1.6
151.14777	2.6
159.11714	14.1
161.13284	6.7
163.14827	11.0
173.13266	15.1
175.14850	2.5
187.14760	8.2
233.22589	3.5
243.21091	18.6
261.22147	83.5
272.37161	1.6
279.23248	6.4
297.30960	1.6
311.10413	1.6
312.98764	1.6
313.64948	1.5
317.24216	1.5
318.23788	1.9
325.42291	1.4
335.25806	7.2
353.26883	18.1
377.64325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.9
56.96566	4.0
57.03432	4.4
57.07064	4.2
60.95850	2.3
64.51541	2.9
67.05503	26.8
69.03442	4.8
69.07075	12.5
70.48904	7.0
71.04993	22.1
71.08620	2.1
73.42787	2.3
79.05483	22.7
80.05011	2.4
81.07058	33.1
83.04971	4.3
83.08627	5.6
83.34019	2.4
85.06542	5.2
91.05476	23.8
93.07051	32.4
95.04968	49.5
95.08607	30.5
96.73975	2.3
97.06536	6.6
103.05467	2.0
105.07027	35.6
105.66135	2.2
107.04967	3.2
107.08584	39.3
109.06500	13.0
109.10152	19.2
117.06275	2.4
117.06992	11.9
119.08579	44.2
121.06530	4.4
121.10136	22.1
123.08082	8.3
123.11697	12.4
128.06215	8.5
129.07034	6.7
130.07823	4.6
131.08566	22.9
133.10146	33.1
135.08080	18.9
135.11693	32.8
137.09621	6.1
141.07057	2.4
142.07799	5.8
143.08556	27.7
145.10115	25.2
147.08063	8.1
147.11674	13.4
149.09599	14.0
149.13237	5.2
151.11182	2.6
155.08542	8.8
156.09337	3.8
157.10127	31.3
159.08083	10.7
159.11711	20.5
161.09616	40.0
161.13206	11.9
163.11168	7.5
167.08577	6.9
169.10092	13.1
170.10841	3.6
171.11703	17.7
173.09618	6.3
173.13246	18.4
175.11186	8.1
175.14845	6.1
177.12762	2.8
179.08585	4.9
181.10123	3.0
182.10899	6.1
183.11696	8.6
185.09663	2.6
185.13275	12.2
187.11201	5.8
187.14813	8.3
189.12691	4.4
189.16406	2.8
191.14284	2.8
193.10144	3.2
193.12219	2.9
194.10875	4.3
195.11627	12.5
197.13179	13.3
199.14883	5.4
201.12685	5.3
203.14308	5.6
205.15866	4.4
206.10883	3.3
207.11740	5.1
208.12447	3.2
209.13245	14.0
211.14894	7.2
213.12804	14.7
213.14514	3.0
215.14316	9.7
221.13252	7.5
223.14891	6.6
225.12787	3.6
225.16254	4.8
227.14290	7.0
227.17932	2.6
231.13774	4.2
235.14830	3.2
237.16319	6.9
239.14369	3.5
241.15930	4.2
243.21283	3.7
251.17993	3.1
253.19576	6.9
255.17459	3.4
261.22165	6.6
265.19540	10.1
277.19510	10.1
279.17462	4.4
283.20584	6.9
293.23022	11.2
295.20670	18.6
309.22134	3.7
311.23798	7.1
335.15213	3.1
335.23666	26.4
353.16290	4.0
353.24799	100.0
354.25116	4.5
366.02884	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
55.38938	0.3
56.96561	0.8
61.80496	0.4
65.63172	0.3
67.05508	1.0
69.07056	0.4
69.79251	0.7
69.79665	1.4
77.00901	2.9
79.05487	1.0
81.07041	1.6
83.08626	1.0
88.00248	0.3
91.05460	0.8
93.07048	0.8
95.01959	2.0
95.08620	0.8
97.06524	0.8
98.97577	0.3
105.07039	0.5
107.08632	0.6
107.43761	0.3
109.06495	0.4
116.98629	0.7
119.08519	0.4
128.77167	0.3
131.08603	0.4
133.10054	0.4
155.08627	0.4
159.11591	0.5
161.01138	0.4
167.07001	0.3
179.12354	0.3
197.56677	0.4
201.09702	0.8
207.08289	0.4
210.36391	0.3
213.09811	0.8
215.11305	4.3
219.10840	0.4
223.11681	0.5
225.08876	0.5
227.11256	0.5
228.07846	0.6
231.10770	0.6
233.12341	1.4
235.11838	0.4
239.11307	0.5
241.12868	0.8
243.10332	0.5
243.14406	3.9
253.12778	3.8
261.15475	1.2
271.13901	5.7
317.19751	1.1
335.20618	5.8
353.22968	100.0
354.23254	2.5
358.22162	0.6
371.22797	4.3
376.23203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05963	0.7
53.03946	0.7
55.05515	2.2
56.96565	53.8
57.03448	1.5
67.05505	7.3
67.11920	0.7
69.07073	2.5
71.08649	2.9
71.95261	6.8
72.65320	0.8
72.96043	3.7
74.02722	0.7
74.97618	2.2
79.05508	2.6
81.07060	8.1
83.08630	2.1
84.96030	1.0
91.05497	2.0
92.98632	1.1
93.07046	4.5
95.08603	4.9
97.06515	0.8
97.10189	1.1
97.96841	1.3
98.21540	1.4
99.08097	1.7
105.07040	1.4
107.08604	3.0
109.10148	2.5
110.97621	1.0
114.18298	0.7
115.97854	1.5
119.08582	2.1
121.10136	1.7
123.01214	0.8
123.08126	0.9
123.11735	1.4
128.98660	1.5
130.84904	0.8
131.08611	1.1
133.01768	1.3
135.11673	2.3
137.02753	2.3
137.22958	0.7
141.02266	1.3
145.01735	0.9
145.10147	1.0
146.99628	3.8
147.11705	1.5
149.13281	1.4
155.03828	2.8
161.13318	1.2
169.05315	1.1
171.03227	1.1
173.04794	1.8
175.06389	2.5
177.08051	0.9
183.03345	0.8
187.06396	2.0
187.14850	1.0
189.07980	2.0
193.07471	1.7
202.22594	0.8
203.09665	0.8
205.07509	9.4
213.07932	1.1
217.07457	1.9
223.08426	3.1
223.10271	5.2
227.09573	1.6
231.09052	1.4
239.09546	3.1
241.11110	71.7
243.13066	0.8
245.10619	1.4
257.10611	3.4
259.12177	100.0
260.12531	1.4
261.22107	2.0
264.12680	8.4
271.12192	1.0
277.13168	1.2
282.13712	8.2
317.17880	1.3
323.18832	1.9
330.08646	0.7
331.06558	0.7
335.18896	8.1
340.65369	0.8
353.19952	76.8
353.26953	2.9
354.20303	0.9
371.21042	94.1
372.21271	1.1
376.21786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	2.8
55.05503	4.4
57.03422	2.6
57.07054	2.5
59.66388	0.8
61.02917	1.4
67.05511	4.2
69.03428	14.5
69.07066	13.1
71.04980	1.8
71.43697	0.9
73.02906	1.4
74.05938	0.8
79.05491	5.0
81.03416	4.6
81.07050	3.9
83.04968	7.2
83.08598	2.3
85.02907	8.2
87.04422	1.1
91.05476	8.9
93.07043	10.0
93.42850	1.0
95.04959	2.9
95.08610	8.2
97.02876	9.6
97.06519	5.8
99.04442	1.7
105.07016	11.2
107.04904	0.8
107.08593	36.7
109.02845	1.8
109.06516	3.9
109.10143	5.4
111.04414	1.3
111.08070	1.1
115.05457	1.3
117.07008	2.8
117.58399	0.9
119.08575	32.8
121.06488	11.3
121.10142	21.0
123.04413	1.2
123.08041	3.7
123.11688	1.3
127.03886	4.3
128.06198	1.1
129.06982	1.6
131.08560	12.5
133.04897	1.2
133.10129	27.6
135.07085	1.5
135.08041	14.0
135.11687	14.5
137.09608	3.7
143.08563	4.0
145.10106	6.5
147.08025	1.1
147.11674	19.4
149.09648	4.5
149.13254	22.2
149.14369	1.9
155.08597	1.3
157.10120	2.1
158.10881	6.3
159.11641	2.1
160.82133	1.0
161.09624	2.3
161.13258	3.4
163.11252	1.4
163.14783	6.6
169.10173	1.0
171.11676	3.9
173.09634	1.2
173.13261	25.1
175.11165	1.1
175.14822	29.5
177.12685	1.2
181.10014	0.9
185.13222	0.9
187.14819	1.3
189.12753	3.3
191.14299	100.0
192.14929	1.1
193.15952	2.3
197.07568	0.9
199.11214	2.0
203.14371	1.9
207.13780	1.1
209.15286	1.3
215.14268	1.0
217.12234	3.2
233.15363	1.2
237.02881	1.9
245.11545	1.0
247.72545	1.0
257.15460	1.4
287.16327	3.2
317.17499	2.1
335.18546	4.0
337.11902	1.3
353.15359	1.6
353.19540	22.9
354.19727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47284	3.0
53.03954	4.8
55.01867	10.2
55.05287	3.4
55.05508	26.8
57.03424	12.7
57.07077	21.8
59.19052	2.8
67.05505	25.8
69.03425	67.2
69.07066	36.4
70.06590	3.9
70.86046	6.5
70.86379	3.2
71.01328	6.7
71.05003	5.9
71.08640	3.6
72.08147	2.7
73.02887	3.9
79.05483	24.3
81.03423	14.0
81.07053	67.9
83.04973	16.5
83.08617	33.1
84.22532	2.6
85.02898	23.3
85.06535	10.2
87.04469	3.9
91.05481	17.5
93.07040	43.7
95.04948	18.5
95.08603	54.3
97.02893	20.4
97.06536	15.7
99.04457	15.2
101.06026	3.9
103.03960	4.1
103.05438	3.1
105.07035	30.1
107.04977	4.3
107.08593	76.5
109.02876	3.0
109.06516	33.4
109.10151	38.8
111.04447	8.9
111.08086	33.1
111.56458	2.9
113.05977	2.9
113.09624	7.1
115.03935	7.7
117.07005	7.4
119.08569	36.4
120.21198	2.8
121.06525	14.2
121.10140	100.0
123.08064	26.7
123.11709	56.3
125.05980	6.3
125.09653	9.2
127.03916	13.8
129.07040	3.7
131.08545	14.4
133.06462	4.9
133.10107	18.9
135.08057	20.8
135.11696	41.8
137.06017	14.9
137.09584	14.8
137.13251	7.2
139.07513	5.2
139.11230	3.8
143.08551	6.0
145.06477	3.4
145.10117	11.2
147.08061	7.2
147.11691	12.2
149.09613	7.1
149.13254	77.4
151.07565	9.6
151.11226	8.2
153.09097	13.7
155.07033	6.5
157.10091	5.4
159.11534	6.4
161.13272	10.7
163.07565	4.7
163.11194	11.6
163.14830	38.7
165.09084	6.0
165.12761	7.0
167.07114	5.1
167.14310	19.1
171.10205	5.0
171.11647	3.4
173.09619	5.6
173.13263	15.9
175.14824	6.3
177.12679	2.8
179.14273	13.4
181.08592	5.7
185.13277	2.9
189.12766	7.0
191.10748	5.3
191.14304	39.3
203.14293	7.0
209.15410	32.5
221.15341	4.9
240.52968	3.2
275.16446	4.0
287.16156	4.1
311.18716	3.8
335.18454	13.1
353.19586	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	353.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93725	2.7
55.05497	3.1
56.96552	10.0
59.22232	2.8
65.09015	2.5
67.05493	6.1
69.03423	6.8
69.07082	3.2
70.06581	8.4
71.24201	6.7
72.08141	5.5
72.93356	3.6
83.04980	3.5
84.08128	4.8
85.02882	7.5
91.05466	3.5
93.07014	3.1
94.26520	2.7
95.04948	3.0
95.08616	3.6
96.62180	2.9
97.02853	7.6
102.97101	2.9
102.97861	3.3
107.04926	4.5
113.05894	3.3
116.98652	4.3
120.04446	3.8
120.08091	3.0
122.06006	6.4
123.04434	4.0
127.03905	5.6
129.10194	3.9
136.03880	3.8
136.07518	9.7
137.02299	4.7
138.05545	6.6
142.03850	2.6
146.99699	3.5
148.03874	4.7
150.05482	2.9
152.07159	5.1
153.61691	2.7
154.04997	9.0
161.50578	2.9
162.05423	7.2
164.07045	6.6
166.05011	6.0
168.06532	4.5
174.09167	7.4
179.03423	26.2
182.08118	3.9
186.09183	5.7
188.07097	5.4
188.10663	3.8
198.09134	8.6
199.08704	3.7
201.10289	3.8
212.06987	5.9
213.04419	3.5
213.10097	3.9
214.08598	6.1
215.07950	4.2
216.10316	3.3
221.01089	3.1
222.07634	3.9
225.06525	5.8
226.08604	9.5
229.09752	14.8
230.08357	7.7
237.02811	6.3
240.08945	12.1
241.09755	3.7
242.10530	4.3
243.11296	7.8
244.09576	10.2
245.10551	6.1
248.09160	6.2
253.09679	4.4
254.08051	8.5
257.09131	10.8
258.10046	6.5
271.10812	12.2
272.09216	21.8
275.10150	5.5
286.09482	6.4
287.10309	3.3
289.11807	53.7
290.10138	27.4
298.72458	3.5
299.10214	11.1
300.08640	17.8
317.11288	69.7
318.09674	16.2
335.12378	100.0
336.10675	19.0
353.08792	3.1
365.05344	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	353.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
57.72488	7.3
61.24897	7.1
61.29512	6.9
67.05490	8.7
69.03421	13.8
69.75183	14.9
69.75584	25.0
77.76730	6.0
84.96038	32.3
85.02892	21.2
87.74734	7.8
89.93388	7.7
91.05491	8.3
97.02879	13.4
98.97585	66.5
110.97564	23.4
116.98624	91.2
121.94122	6.8
128.98607	38.1
131.00241	11.5
134.99646	51.5
137.82307	7.0
143.00145	8.7
146.99660	52.1
149.01227	14.6
153.00720	8.8
158.99678	13.9
161.01251	36.7
162.99117	7.6
165.00758	9.2
170.99573	8.8
173.01212	9.4
177.00711	24.2
179.02248	8.4
189.00702	11.4
201.00682	15.0
219.01773	48.9
227.01978	7.6
231.69588	7.2
237.02771	96.7
245.03343	26.6
255.03883	13.3
353.05234	66.2
355.06778	6.9
371.06461	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0842
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96569	5.8
57.03416	4.9
58.65702	3.9
69.60149	14.5
69.60558	13.0
85.02890	9.2
86.53016	3.9
97.02869	4.6
98.20680	4.2
124.03123	3.5
144.98070	3.7
157.80594	3.9
161.02954	5.4
190.98730	6.3
191.03908	8.4
208.99605	5.7
236.07884	3.8
263.06055	8.5
353.08383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1615
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
55.01852	0.3
55.05497	0.4
56.05025	0.2
56.25956	0.2
56.96542	0.4
57.03425	0.7
57.07051	0.3
60.04510	0.3
65.03938	0.3
67.05504	1.4
68.05032	0.2
69.03419	0.7
70.06571	0.8
72.08146	2.3
73.02908	0.3
74.00632	0.5
75.44738	0.2
84.04486	0.2
84.08136	0.7
85.02872	0.7
86.09699	1.2
86.11772	0.2
86.22916	0.2
91.05456	0.8
97.02866	0.4
98.97572	0.3
100.91887	0.2
105.05545	0.3
105.07043	0.3
109.10131	0.3
111.04434	0.4
112.05110	0.2
116.98647	0.3
119.03530	0.7
119.04920	0.3
119.08571	0.3
120.01166	1.2
120.08095	1.5
125.06017	0.7
129.10234	0.5
134.99672	0.3
135.06708	0.3
136.06180	98.4
137.04555	0.7
137.06471	0.8
147.04440	0.7
148.06181	2.5
155.10672	0.3
158.07147	0.3
159.06686	1.3
159.11409	0.4
165.05563	0.5
166.08675	0.6
173.08194	0.3
175.09764	0.5
177.05534	0.2
185.08221	5.1
187.08557	0.5
187.10735	0.3
193.09717	0.4
202.10870	8.5
217.04039	0.2
220.11922	100.0
221.12210	2.3
237.02689	0.3
253.11728	0.5
263.07349	0.6
274.56738	0.2
298.11371	0.3
352.16193	8.3
353.16537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30224	0.9
53.03940	3.2
57.03426	2.6
62.06073	1.6
63.59124	0.9
67.05508	1.8
69.03429	14.5
69.33269	9.8
70.06590	2.0
71.01373	1.1
71.04989	3.9
73.02922	2.0
81.03419	11.3
81.07052	1.9
84.04555	1.0
85.02898	10.1
86.09708	2.7
93.07048	2.3
95.08622	1.2
97.02888	7.1
98.97582	2.2
99.04459	4.6
103.05484	2.7
109.02863	7.7
116.04980	20.4
116.98622	1.5
118.06532	3.5
119.08615	1.3
120.08108	25.1
121.08390	1.0
127.03919	13.8
128.04964	6.5
131.00127	1.0
134.99597	1.3
137.05997	1.1
144.04465	3.8
144.08032	1.2
145.04993	1.1
146.06007	100.0
147.06291	1.5
148.03932	20.2
169.04895	1.4
172.03937	95.0
173.04239	1.7
187.06003	5.5
188.07111	7.4
190.04993	8.7
205.07123	1.9
205.09694	5.0
229.86572	1.1
352.12875	1.2
352.16864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05016	1.9
53.03940	8.9
54.33152	2.0
55.01865	12.5
56.23710	2.5
57.03425	6.0
61.02925	8.8
67.05509	4.0
68.99805	3.6
69.03431	36.1
69.07068	12.8
69.87330	7.4
69.87742	5.5
70.06599	3.0
71.01361	3.1
71.04991	4.2
72.08168	2.7
73.02908	7.1
79.05505	4.4
81.03423	28.2
81.07063	10.5
84.08134	4.6
85.02907	100.0
85.06558	7.6
86.09724	4.3
87.00832	40.4
91.03983	2.7
91.05479	9.6
93.07085	11.7
95.04985	4.2
95.08640	3.2
97.02905	41.3
97.06537	5.0
98.20924	4.4
98.97638	2.2
99.04443	15.1
102.05544	3.6
103.03942	3.5
105.01870	56.1
105.07055	6.5
107.04932	3.2
107.08600	4.5
109.02888	24.9
109.06547	4.1
110.14095	2.1
111.08080	14.1
115.03942	4.0
117.01833	4.2
117.07024	3.8
119.08553	2.7
120.08145	3.4
121.06514	2.4
127.03926	64.6
129.01874	4.8
131.08574	4.2
133.06401	3.2
135.08040	3.5
145.04961	29.4
147.02866	2.3
147.08057	7.3
149.09604	6.9
153.09128	9.1
159.02878	16.9
159.08080	3.4
165.09084	7.3
177.09146	13.8
180.03056	2.4
189.03990	6.1
195.10150	28.8
213.03931	2.5
231.04980	17.0
249.06076	6.5
281.10199	3.7
287.54767	2.7
299.11353	5.4
312.62469	2.4
352.17117	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
55.01866	3.2
55.05262	3.0
55.05507	30.7
56.38101	2.2
57.03182	3.7
57.03436	49.6
57.07065	4.0
63.32063	2.3
65.03921	3.2
67.05503	72.6
67.28892	2.7
67.71820	2.0
69.07066	29.4
69.58064	9.1
69.58490	10.2
71.04990	4.0
76.00414	2.5
79.05491	72.2
81.07056	93.3
82.07373	2.8
83.04988	4.6
83.08618	18.2
85.06533	7.6
91.05483	58.4
93.07039	95.8
95.04981	12.0
95.08602	63.5
96.39958	2.3
96.78642	2.4
97.06528	12.3
97.10176	5.1
98.20773	4.5
99.08106	5.7
101.43427	2.3
105.04572	2.9
105.07025	56.0
107.08589	57.9
109.06530	6.1
109.10159	23.2
111.08080	7.7
113.09650	2.8
117.07005	16.7
119.08578	51.3
121.10142	43.8
123.08053	2.5
123.11700	9.3
125.09625	5.0
129.07013	9.5
131.08580	25.0
133.10132	49.4
135.11684	39.8
137.09595	3.5
137.13216	3.6
139.11142	2.5
143.08572	7.7
145.10121	22.9
147.11682	47.8
149.09499	2.6
149.13240	26.7
157.10146	5.9
159.11697	19.9
161.13237	27.0
163.11145	3.1
163.14803	7.3
165.12775	4.4
171.11681	15.0
172.12233	3.2
173.13263	11.6
175.14809	12.1
181.67342	2.7
185.13266	10.2
187.14807	10.3
199.14777	6.1
203.17989	2.9
205.15907	7.7
213.16367	3.1
221.18977	4.4
231.17426	3.0
231.21109	7.6
241.19492	22.8
249.22209	3.0
259.20569	81.4
260.20789	3.4
277.21594	30.1
333.24176	9.0
351.25305	100.0
352.25754	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39167	1.8
53.03940	3.7
54.28297	2.1
55.01868	5.6
55.05263	2.2
55.05515	32.4
57.03432	20.6
57.07061	4.9
67.05507	81.3
69.03425	3.6
69.07067	27.8
70.87018	7.0
71.05000	4.2
71.08278	3.3
71.08636	45.3
77.54848	1.8
79.05495	63.8
81.03437	4.8
81.06577	3.7
81.07056	76.0
83.04971	15.4
83.08619	18.8
85.02908	2.4
85.06531	4.5
91.05484	39.7
93.07047	77.5
95.04970	13.7
95.08608	52.1
97.06521	12.0
97.10174	9.6
99.08091	32.6
100.24553	1.8
105.07034	36.8
107.04941	7.3
107.08595	45.9
109.06504	4.7
109.10152	28.2
111.08083	3.9
111.57127	2.2
113.09655	5.3
117.07018	8.5
118.97558	1.8
119.08581	26.5
121.10146	37.9
123.08058	3.0
123.11675	8.1
125.09632	7.0
129.06970	5.7
131.08582	9.5
133.10132	27.1
135.08040	2.4
135.11685	44.9
137.09627	5.2
137.13272	2.4
141.09164	3.1
143.08533	4.3
145.10150	11.2
147.10611	3.1
147.11693	25.3
149.13271	18.0
151.11191	19.4
157.10153	2.7
159.11705	10.8
161.13261	19.7
163.11145	6.4
163.14825	7.0
171.11726	5.7
173.11877	2.4
173.13268	7.1
175.14816	8.4
177.12743	6.7
179.14313	100.0
180.14674	2.3
185.13271	4.4
187.14748	2.0
189.11220	4.8
189.12790	4.5
195.13675	2.0
199.14896	3.9
203.14322	2.4
217.15865	2.3
235.16975	5.8
241.19571	8.9
259.20584	30.3
273.32471	2.0
277.21628	38.7
333.23892	2.8
351.25299	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.05507	16.8
56.96547	6.4
57.03423	7.5
57.07077	3.6
61.62003	1.7
67.05167	2.9
67.05505	41.2
69.07069	17.8
71.04987	2.5
71.05610	1.8
75.04496	2.4
79.05489	63.4
81.07053	52.2
83.05006	1.8
83.08620	8.3
85.06527	1.9
85.33290	1.7
91.05476	55.1
93.07040	85.6
94.56120	1.6
95.04961	7.7
95.08604	36.4
97.06540	2.6
97.10151	3.2
99.08102	3.2
105.04510	2.2
105.07027	53.5
107.08593	47.9
109.06519	3.3
109.10152	11.9
111.08078	2.5
113.09675	2.1
116.98857	1.5
117.07011	10.1
119.08580	47.3
121.09319	2.4
121.10140	40.7
122.36374	1.5
123.11725	2.6
125.09695	2.0
129.07004	6.4
131.08580	17.8
133.10127	49.0
133.11081	3.2
135.08061	2.0
135.10675	3.1
135.11682	42.1
137.09544	1.6
142.35042	1.7
143.08568	8.2
145.10133	22.8
147.11681	47.1
149.09584	2.6
149.13269	28.9
151.11136	2.9
157.10117	10.9
159.11674	21.0
161.13252	33.0
163.11133	3.1
163.14803	10.1
171.11679	14.2
173.13234	11.5
175.11171	1.9
175.14795	15.0
177.12750	3.8
185.13260	10.8
187.14780	4.1
189.12704	2.4
199.14819	6.2
203.14217	3.0
213.07607	1.7
213.16367	5.0
231.17444	3.4
231.21028	8.5
241.19498	31.6
259.20575	100.0
260.20953	4.5
277.21640	14.4
333.17340	5.9
333.24274	8.3
351.18677	13.5
351.25284	65.2
352.25580	4.9
369.19568	8.6
374.20065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01868	8.0
55.05254	2.9
55.05507	39.9
56.96560	11.8
57.03434	20.6
57.07059	1.9
59.04987	2.0
65.03929	6.9
67.05502	91.1
69.03425	3.0
69.06709	3.2
69.07063	34.2
71.04975	5.0
71.08620	12.6
71.37046	2.2
73.31682	1.5
79.05489	71.5
81.03423	1.7
81.07054	100.0
83.04972	7.2
83.08618	20.2
85.06538	4.8
91.05476	54.0
93.07041	86.1
95.04965	11.3
95.08601	56.2
97.06546	11.2
97.10143	14.5
99.08071	12.0
105.07025	52.5
107.04940	3.8
107.08589	62.7
108.08965	1.8
109.06540	10.3
109.10147	39.4
111.04429	4.6
111.08062	4.9
113.09631	1.9
117.07006	10.3
119.08579	41.6
121.06522	3.5
121.10136	45.6
123.08050	4.8
123.11689	7.0
125.09625	15.3
128.98579	1.9
129.07019	8.0
131.08574	16.2
133.10127	43.3
135.08025	4.1
135.11691	45.3
137.05972	35.4
137.09625	6.0
137.13293	3.7
139.11174	2.9
139.20634	1.8
143.08557	7.2
145.10101	20.3
147.07951	1.9
147.11682	38.3
149.09596	6.7
149.12146	2.8
149.13255	23.1
151.11169	5.8
152.39282	1.8
154.12267	2.9
157.10118	8.1
159.11717	18.0
161.09688	3.2
161.13242	30.3
163.11188	6.3
163.14827	7.7
165.12706	2.4
171.10316	3.3
171.11707	11.9
172.13350	2.7
173.11890	2.4
173.13191	8.1
175.11133	2.6
175.14774	11.1
177.12784	2.6
179.14314	9.9
185.04825	1.7
185.13281	11.5
187.14735	2.8
189.11220	4.5
189.12704	4.0
190.10023	1.6
193.12254	2.6
193.15903	1.9
199.06410	2.2
199.14832	7.5
201.04469	1.9
203.14230	2.7
203.17897	2.4
207.13692	2.2
213.16470	5.3
217.07561	6.9
217.19484	4.0
221.15361	2.5
231.17462	5.9
231.21066	8.1
241.07545	5.9
241.19510	28.3
249.18538	2.4
259.08469	8.5
259.12201	5.4
259.20551	63.3
277.09613	2.2
277.18030	10.0
277.21631	36.7
295.19116	1.8
333.17374	9.1
333.24188	7.1
351.18463	41.6
351.25281	89.5
352.18927	3.5
352.25394	5.5
369.19412	8.7
374.19995	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01872	3.9
55.05505	15.7
56.96552	2.5
57.03442	13.0
57.07069	3.3
65.03939	4.5
67.05503	61.8
69.07059	18.6
71.04971	6.8
71.08646	2.4
71.29635	4.3
75.04453	2.3
77.79813	2.2
77.80438	1.8
79.05490	77.7
81.06575	3.9
81.07054	73.7
83.04998	3.6
83.08624	11.4
85.06543	3.7
91.04901	2.6
91.05483	56.6
93.06464	5.0
93.07047	100.0
95.04954	9.7
95.08601	48.7
97.06529	5.0
97.10157	4.5
99.08076	5.7
105.04506	2.9
105.07030	51.6
107.08589	56.0
109.06507	7.4
109.10155	16.9
111.08095	3.8
117.07034	11.5
119.07788	3.4
119.08585	45.1
121.10149	45.4
123.08057	2.3
123.11720	6.6
125.09644	2.1
129.06979	8.1
131.08591	19.2
133.10123	41.5
135.08061	3.1
135.11697	41.0
137.05998	7.7
143.08577	6.4
145.10153	16.8
147.11699	33.7
149.09599	2.4
149.13257	20.3
157.10139	7.4
159.11673	16.0
161.13252	28.0
163.11205	3.6
163.14894	4.7
165.12744	2.9
171.11697	11.0
173.13286	10.2
175.11256	2.5
175.14798	7.2
177.12752	4.5
179.14296	2.5
182.37846	2.2
185.13275	9.5
199.14842	5.3
213.16383	6.0
231.21031	4.5
241.19545	22.4
250.81712	2.9
259.20557	74.2
260.20825	4.0
277.18298	4.5
277.21667	12.7
285.25430	2.4
333.17303	2.4
333.24310	6.6
351.18454	9.0
351.25299	64.6
352.25259	3.5
369.19467	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.6
57.03428	7.9
57.07075	6.0
65.03938	7.1
67.05502	61.0
69.07076	28.5
71.04980	5.3
71.61375	4.5
75.96293	4.1
76.89925	3.7
79.05490	49.4
81.07054	68.2
83.04987	4.6
83.08625	11.9
84.80447	4.1
85.06564	10.6
91.05479	70.1
91.27631	4.4
93.07038	74.6
95.04970	11.8
95.08611	49.6
97.06521	10.5
98.44034	4.4
99.08106	9.0
103.46527	4.4
105.07030	69.7
107.08588	52.4
109.06481	5.2
109.10151	26.1
111.08078	7.5
117.07021	20.4
119.07780	7.8
119.08576	82.0
121.10146	60.4
123.08104	4.4
123.11767	6.1
129.05458	5.0
129.07008	16.8
131.08583	35.4
133.10112	57.6
135.11690	32.1
137.05943	6.4
142.07756	5.4
143.08566	16.8
144.09358	5.5
145.10133	36.3
147.11679	44.0
149.09613	6.3
149.13245	25.5
151.11163	5.4
157.10104	23.1
159.11688	29.9
161.13254	66.2
163.11105	8.3
163.14812	15.9
169.10185	5.1
169.38358	4.0
171.11665	24.3
173.13268	16.4
175.11224	5.0
175.14795	39.0
177.12805	6.2
183.11684	8.7
185.13239	13.0
187.14830	10.5
189.12688	7.7
197.13396	6.6
199.14798	15.7
203.14310	6.2
209.13303	5.8
211.11188	4.6
211.14758	5.3
217.19476	6.6
221.13196	5.2
229.12250	7.4
231.21080	16.4
241.19453	48.5
259.20557	100.0
277.21625	8.8
298.61063	4.3
351.25586	87.4
361.62695	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82802	2.0
53.03942	3.7
55.01871	4.6
55.05298	2.3
55.05513	24.0
57.03442	14.0
57.07074	3.0
58.86802	2.4
59.77386	2.4
67.05507	67.4
69.03406	2.9
69.07073	23.8
71.05000	4.7
79.05058	4.2
79.05496	64.5
81.07059	74.9
81.12597	2.3
83.08618	12.3
83.86734	2.1
85.06531	11.2
89.44045	2.5
91.05481	61.7
93.07041	81.5
95.04961	7.4
95.08604	53.6
97.06537	6.9
97.10162	3.0
98.21504	6.2
99.08091	6.0
103.03944	8.9
105.07027	63.7
107.08593	47.2
109.06493	3.1
109.10159	21.6
113.09612	2.8
117.07027	19.8
119.07783	5.3
119.08581	69.7
121.10138	50.2
122.47916	2.5
123.11733	6.9
129.05516	4.5
129.06989	11.2
131.08556	26.1
133.10141	42.8
135.08025	3.4
135.11671	32.4
137.09625	4.3
142.07764	4.6
143.08531	13.0
145.10095	22.8
147.08136	3.9
147.11667	43.8
147.12749	2.9
149.09613	6.8
149.13269	26.1
151.11169	3.1
157.10109	13.3
159.11671	20.0
161.13266	74.0
162.13570	4.0
163.11160	4.1
163.14810	21.8
169.10095	2.8
171.11699	18.6
173.13283	22.1
175.11218	6.6
175.14812	41.2
177.12775	7.5
177.16360	3.3
179.14325	3.7
185.13271	20.0
187.14854	6.7
189.12791	6.0
189.16447	3.4
195.11705	2.5
199.14868	12.7
203.14247	4.2
213.16313	5.4
215.17998	6.0
217.16029	3.9
217.19598	9.5
229.54504	2.5
231.17444	9.7
231.21054	14.2
241.19525	57.0
241.22018	3.4
259.20587	100.0
260.20877	3.9
264.40799	2.6
277.21674	20.0
279.55688	2.5
333.24280	9.7
351.25351	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01851	3.4
55.05508	22.3
55.60780	1.2
57.03432	12.6
57.07076	6.4
65.03928	1.9
67.05503	62.2
69.06710	1.6
69.07063	17.6
69.39036	11.0
71.04984	4.9
71.08630	1.5
75.04493	2.9
79.05490	61.5
80.05785	1.3
81.07056	65.3
83.04983	2.4
83.08624	9.8
85.06542	9.1
91.05477	62.3
92.05798	1.3
93.07039	79.1
95.04999	6.7
95.08601	57.7
97.06516	5.4
97.10165	3.6
99.08102	9.5
101.05991	1.8
103.03934	2.7
105.07029	54.3
107.08592	44.4
109.06509	3.5
109.10146	19.8
111.08061	2.3
111.11703	2.0
113.09663	1.8
117.07000	13.5
119.08577	62.4
119.09440	3.0
121.06478	1.2
121.10140	55.3
123.08044	1.9
123.11661	6.6
125.09576	1.3
129.05473	4.6
129.06987	13.3
131.08562	22.4
133.10126	49.3
135.08047	3.8
135.11684	31.3
137.09624	2.8
137.13211	1.6
142.07736	1.5
143.08560	11.1
145.10114	20.4
147.08038	1.6
147.11674	41.9
149.09578	6.8
149.13251	28.2
151.11195	1.6
157.10124	12.8
159.11703	21.4
161.09641	3.2
161.13251	69.9
163.11176	5.7
163.14809	18.4
171.11687	18.1
173.13278	16.0
175.11191	4.3
175.14822	39.9
177.12737	6.1
177.16359	3.3
179.14302	1.6
185.13248	16.0
187.14796	5.4
189.12773	6.2
189.16331	2.8
195.13779	1.6
199.14821	11.1
201.16441	2.6
203.14308	3.3
213.16351	4.3
215.17860	6.0
217.15894	2.2
217.19548	7.9
221.13234	1.4
221.15401	1.9
231.17511	8.0
231.21078	14.3
241.17604	1.2
241.19496	50.7
259.20572	92.8
260.20978	3.4
277.21640	17.4
278.22336	1.2
281.17538	1.4
302.30130	1.1
333.24222	10.0
349.04593	1.3
351.25290	100.0
352.25626	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03043	1.5
53.03939	4.6
55.01867	5.2
55.05264	2.1
55.05510	32.7
56.96570	4.2
57.03439	55.5
57.07067	5.5
59.04984	1.5
64.86451	2.1
65.03936	3.4
65.39691	1.3
67.05505	75.3
67.86115	1.4
68.14516	1.5
69.03406	2.3
69.07069	25.7
69.41627	4.1
69.42039	11.0
71.04988	6.1
71.08624	7.3
79.05493	75.0
79.18134	1.6
81.03415	3.6
81.07059	87.6
82.70691	1.8
83.04975	5.6
83.08627	19.2
85.06113	1.5
85.06541	9.1
91.05479	61.8
92.05862	1.5
93.07043	100.0
95.04958	10.7
95.08607	67.2
95.09224	1.9
97.06528	5.4
97.10165	9.9
99.08095	8.5
105.07034	56.0
106.07430	2.3
107.08599	66.5
109.06519	6.8
109.10153	30.4
111.08076	8.7
117.05483	4.7
117.07009	13.4
119.08579	47.5
119.96863	1.4
121.10139	55.2
123.08078	6.5
123.11697	9.2
125.09612	4.4
129.05528	1.6
129.06989	7.0
131.08577	23.7
133.10126	41.9
135.08061	2.5
135.11688	41.7
137.09631	5.1
137.13274	1.9
139.11243	1.7
142.07773	2.0
143.08586	6.9
145.10130	21.4
147.08087	3.1
147.11687	47.3
149.09613	2.6
149.13268	24.2
151.11203	5.9
151.14862	2.0
157.10165	8.2
159.11720	17.2
161.09595	2.6
161.13239	25.1
163.11140	4.8
163.14818	6.7
165.12781	3.8
171.11676	10.0
173.13255	10.9
175.11214	2.2
175.14810	12.4
177.12747	4.9
179.14342	2.6
185.13211	11.0
187.14835	17.7
189.12810	2.7
191.14310	2.0
191.17961	1.8
199.14891	5.0
200.26398	1.7
201.16389	2.3
203.14395	3.0
203.17906	2.4
205.15892	5.2
213.16394	3.7
221.15392	2.6
221.19011	4.4
231.21066	6.4
241.19505	23.6
259.20566	63.0
260.21161	1.7
277.21640	29.9
292.22766	2.2
293.21124	1.7
333.17026	2.6
333.24170	5.5
351.25330	92.8
352.25641	3.7
357.58432	1.7
369.19357	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08071	1.8
52.46191	1.8
53.03937	4.9
53.80589	2.0
55.01863	5.0
55.05508	18.8
56.96556	5.5
57.03417	7.2
57.07070	5.1
65.03930	4.1
67.05169	3.7
67.05503	56.6
69.07059	14.7
69.55968	12.8
71.08625	10.4
79.05491	64.3
81.03398	2.6
81.07056	55.6
83.04983	3.8
83.08615	8.9
85.06549	4.6
91.04897	3.6
91.05473	69.7
93.07040	72.5
93.22411	2.1
95.04982	10.2
95.08606	35.6
97.06506	6.1
97.10173	4.3
99.08076	11.1
103.05425	2.3
105.07022	66.3
107.04909	3.6
107.08589	43.6
108.08958	2.9
109.06501	5.0
109.10165	14.3
111.08099	2.2
113.09610	3.8
117.07004	12.8
119.08572	62.2
121.06509	2.4
121.10135	34.3
123.08083	2.2
123.11707	5.1
128.06206	2.7
129.06996	10.9
131.08540	24.3
133.10121	53.2
133.11078	3.9
135.08148	2.8
135.11679	40.2
143.08578	8.3
145.10095	22.5
146.99619	2.0
147.11685	52.3
149.13261	23.2
151.11186	7.6
154.85609	2.3
157.10107	10.1
159.11687	22.0
161.09618	3.3
161.13255	40.7
163.11137	2.9
163.14832	7.1
165.12720	2.7
171.11668	17.5
173.13280	8.8
175.11285	2.9
175.14804	20.0
177.12764	3.0
185.13281	15.9
187.14778	2.8
189.12709	2.5
189.16284	2.9
199.14815	9.1
213.16331	3.3
215.18085	2.7
217.19565	3.9
231.21066	8.7
240.08821	2.2
241.19504	36.7
259.20572	100.0
260.21017	4.0
277.21707	11.3
300.45090	2.3
351.18530	14.1
351.25287	56.7
355.60132	2.1
369.19376	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36852	2.7
53.03935	5.4
55.01870	3.2
55.05514	17.5
57.03430	7.1
57.07052	3.2
65.03947	3.1
67.05502	57.0
69.07069	15.5
70.86075	7.7
71.04983	3.3
79.05490	63.8
81.07053	53.5
83.04981	5.5
83.08620	5.3
85.06534	5.5
91.05484	51.2
92.05784	2.9
93.07040	92.1
95.04944	6.4
95.08606	47.1
97.06516	5.4
99.08091	3.8
101.55125	2.7
105.06376	4.8
105.07030	56.8
107.08593	60.0
109.06522	4.5
109.10143	15.4
117.06992	9.6
119.07791	4.0
119.08580	58.7
121.10126	41.7
123.08038	3.3
123.11695	5.3
129.06984	11.2
131.08574	22.8
133.10141	52.3
135.11691	44.8
137.09584	3.2
143.08546	8.5
145.10092	21.2
147.11681	53.5
149.13252	21.5
152.71982	2.6
157.10165	14.0
159.11679	18.5
161.13231	38.8
163.11212	3.4
163.14774	9.5
171.11694	13.0
173.13235	11.6
175.14807	22.1
185.13249	16.1
187.14827	2.6
189.12743	2.8
199.14848	12.0
201.16383	3.2
203.14220	3.0
213.16484	4.7
215.18030	3.5
217.15985	3.4
217.19612	4.0
231.21074	12.3
241.19527	38.2
258.03384	2.9
259.20578	100.0
260.20963	4.7
275.61017	2.9
277.21603	8.9
333.24277	6.7
351.25311	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01867	2.5
55.05304	1.7
55.05512	18.0
56.96554	4.7
57.03437	10.7
57.07069	3.4
60.07337	1.7
65.03948	2.1
67.05502	56.6
69.03447	1.9
69.07068	23.8
69.94267	5.9
69.94681	3.8
71.04977	3.4
71.08625	2.6
75.04507	2.6
79.05489	70.2
80.05806	2.1
81.07054	62.5
83.04992	3.8
83.08598	9.8
85.06537	3.8
91.05475	52.6
92.05814	2.3
93.07044	98.9
95.04977	11.3
95.08605	50.1
95.09056	1.0
96.08914	2.4
97.06497	4.6
97.10192	4.2
99.08074	6.9
105.07025	55.5
107.04984	2.2
107.08590	61.7
109.06510	5.0
109.10142	15.7
111.08082	3.5
117.07017	11.1
119.08579	50.7
120.08877	2.3
121.10141	50.3
123.08064	1.6
123.11695	4.5
125.09629	3.2
127.11346	1.7
128.06160	2.2
129.06960	10.3
131.08571	20.4
133.10130	47.0
134.10454	2.1
135.08052	1.8
135.11687	47.0
137.09634	3.2
143.08553	10.4
143.97200	1.8
145.10110	23.3
147.11685	51.6
149.09578	3.9
149.13252	28.4
151.11171	2.9
157.10104	10.4
159.11703	20.9
161.13254	36.7
163.03918	2.1
163.11165	3.3
163.14784	8.9
171.11647	14.0
173.13237	12.8
175.11215	2.4
175.14810	21.4
177.12761	2.4
177.16264	2.4
179.14311	3.2
185.13258	14.2
187.14827	5.8
189.16397	2.5
191.14336	2.2
195.13673	2.0
199.14793	8.0
201.16377	3.7
203.14153	2.6
213.16382	7.3
215.17941	3.3
217.19510	3.4
221.15288	2.2
231.17488	2.5
231.21040	8.1
237.00571	2.0
241.19502	35.4
249.07462	1.8
259.20569	100.0
260.20959	4.0
277.21643	17.0
333.17407	4.2
333.24042	9.5
343.00485	1.9
351.18573	3.2
351.21295	29.5
351.25299	68.6
351.30338	7.5
352.25378	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03234	2.0
53.03941	4.3
55.01868	8.7
55.05510	26.5
56.96556	2.5
57.03434	15.0
57.07066	5.7
67.05508	58.3
69.07066	19.7
71.05006	4.4
71.08624	6.1
71.20441	2.7
71.20750	2.7
79.05056	4.1
79.05495	67.9
81.03436	2.3
81.06578	4.0
81.07058	83.5
83.04971	8.0
83.08616	9.5
85.06544	5.4
91.05481	56.4
93.07044	95.2
95.04969	8.2
95.08607	51.5
97.06540	5.6
97.10197	2.9
99.08097	9.3
105.07036	59.3
107.08596	66.7
109.06531	17.2
109.10173	18.7
111.04440	11.2
111.08072	5.1
113.09617	3.2
117.07036	9.2
119.08585	58.8
121.10148	48.1
123.08051	5.4
123.11687	7.6
125.06024	3.8
125.09601	3.4
129.06989	7.5
131.08546	22.5
133.10138	50.8
135.08055	5.0
135.11700	48.0
137.05983	100.0
137.09602	3.6
138.06331	3.2
143.08563	10.0
145.10129	25.8
147.08015	3.8
147.11691	49.6
149.09641	7.6
149.13257	29.3
151.07503	2.7
151.11171	3.5
157.10107	10.6
159.11671	17.0
161.09610	9.5
161.13281	40.8
163.11166	7.9
163.14851	12.1
165.09177	2.8
165.12817	2.7
171.11713	10.4
173.13246	12.1
175.11194	6.8
175.14796	20.7
177.12796	5.4
178.27852	2.5
179.10710	3.5
179.14308	4.6
185.13252	14.5
189.12755	5.6
191.14330	2.6
199.14828	8.1
203.14429	2.9
203.18015	7.5
213.16360	6.0
217.19540	4.6
221.15369	3.6
231.17517	12.8
231.21083	10.0
235.17033	2.4
241.19527	34.9
249.18524	12.7
259.20584	97.4
263.94040	2.1
277.18024	30.4
277.21631	20.8
295.19202	11.6
333.24307	7.6
333.96011	2.4
351.21317	47.9
351.25360	61.2
352.21838	3.2
366.95047	2.3
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
51.03725	1.2
53.03937	4.5
53.53899	1.3
54.75592	1.3
55.01859	4.5
55.05259	1.6
55.05507	18.7
56.96566	3.1
57.03441	7.8
57.07074	5.5
65.03933	3.1
67.05502	50.6
69.06773	1.6
69.07072	17.9
70.52022	1.6
70.52380	4.7
71.04999	2.0
71.08632	2.6
75.04469	2.6
78.62437	1.3
79.05492	69.3
80.89011	1.2
81.07056	71.9
83.04985	2.7
83.08627	8.7
85.06538	6.0
85.10069	1.1
91.05479	60.2
93.07043	89.9
95.04969	7.5
95.08608	41.8
95.09106	0.8
95.09225	1.5
96.08993	1.4
97.06528	3.7
97.10181	3.4
99.08085	5.3
105.07028	58.7
106.07387	1.7
107.04919	1.7
107.08594	59.1
109.06520	8.8
109.10143	15.0
110.13678	1.4
111.04456	6.5
111.08097	1.8
113.09632	2.0
117.07007	12.0
119.04929	1.6
119.08582	50.9
120.08875	2.3
121.06572	1.7
121.10141	43.4
123.08063	2.9
123.11679	5.1
125.05997	1.9
125.09557	1.4
128.06216	1.5
129.06982	10.4
131.08557	21.8
131.53175	1.4
133.10127	47.2
135.08073	3.3
135.10658	3.1
135.11691	40.6
137.05980	57.1
137.07048	3.0
137.09596	3.2
137.13222	2.8
138.06247	1.7
143.08585	8.4
145.09029	2.0
145.10121	28.1
147.08098	1.6
147.11682	53.7
149.09639	6.6
149.13248	25.6
151.07562	2.2
151.11176	2.3
157.10112	10.1
159.11690	17.6
161.09648	3.2
161.13254	35.7
163.11172	4.4
163.14842	9.4
164.14774	1.4
167.46997	1.3
171.11720	11.6
173.13301	12.0
175.11211	5.5
175.14822	20.4
177.12723	3.4
177.16393	1.9
179.14351	1.6
185.13243	12.5
187.14761	2.8
189.12761	2.6
189.16299	1.9
195.13704	1.6
199.14847	7.7
203.14342	1.7
203.17873	1.5
213.16373	6.9
215.17821	2.2
217.19522	4.0
231.17455	8.3
231.21001	8.5
241.19501	38.0
249.18449	5.7
259.20566	100.0
260.20877	4.3
277.17947	15.5
277.21597	15.2
295.19022	4.8
333.20139	3.6
333.24225	11.6
334.56223	1.4
351.21323	45.5
351.25308	68.1
352.21503	3.2
352.25662	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03450	2.9
53.03955	3.6
53.80895	3.1
55.01874	4.6
55.05515	28.4
57.03429	14.3
57.07070	6.0
65.03917	3.8
67.05503	75.9
69.07062	22.4
70.22260	9.6
70.22663	7.5
71.04985	8.0
79.05054	5.6
79.05489	75.9
81.07056	77.0
81.07522	6.1
82.76186	3.0
83.04971	3.0
83.08620	7.1
85.06550	8.4
91.05485	68.4
93.07042	80.2
95.04984	8.3
95.08608	63.3
97.06534	7.7
97.10173	5.1
99.08087	7.4
103.03930	7.9
103.25428	2.7
105.07036	55.7
107.08594	53.4
109.10157	20.5
111.08086	4.8
117.07021	21.1
117.90123	3.4
119.08592	55.2
121.10143	59.6
123.08034	3.5
123.11710	7.7
129.05476	6.4
129.07016	12.6
131.08572	26.6
133.10130	53.2
135.08075	6.0
135.11720	35.1
137.05949	6.3
137.09654	4.4
143.08551	10.4
145.10182	17.2
147.11678	45.4
149.13246	31.0
157.10164	13.8
159.11681	24.3
161.13257	63.7
163.11197	5.1
163.14847	22.7
171.11731	18.1
173.13229	18.1
175.11261	6.1
175.14816	45.1
177.12785	6.2
177.16368	5.2
185.13297	13.7
187.14812	6.9
189.12733	7.3
199.14877	13.9
203.14337	6.0
213.16417	6.0
217.15903	3.9
217.19533	10.5
231.17476	8.4
231.21065	16.1
241.17140	6.7
241.19495	61.8
259.20569	100.0
277.18729	3.8
277.21616	22.7
280.76993	3.5
281.79999	3.6
333.24182	12.2
348.21304	3.2
351.25323	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2318
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.54239	6.7
55.05506	17.1
57.07070	8.1
64.41118	7.9
67.05491	35.6
69.07065	17.6
69.47793	39.1
69.48202	19.5
71.04987	9.3
79.05484	39.1
81.07074	39.1
83.08616	7.8
91.05489	44.7
93.07046	59.8
95.04987	14.8
95.08606	46.4
97.06579	10.2
103.05483	9.5
105.07037	59.6
107.08588	49.1
109.10166	32.3
111.08079	11.5
117.07010	13.7
119.08585	74.0
121.06490	8.3
121.10124	66.5
123.08088	8.7
123.11718	9.2
129.06996	14.1
130.07849	9.2
131.08551	47.1
133.10138	43.2
135.08029	10.4
135.11736	18.4
137.05965	24.9
141.07112	10.1
142.07777	13.0
143.08551	37.6
144.09344	12.5
145.10135	51.5
147.11713	23.4
149.13301	9.6
155.08612	14.4
156.09323	9.4
157.10150	46.6
159.08128	8.8
159.11728	30.3
161.13219	20.2
167.08606	9.1
169.10132	17.2
171.11737	24.8
173.13293	32.1
175.14893	11.8
181.10103	11.8
183.11789	21.3
185.13281	19.2
187.14783	23.6
187.50964	8.0
193.10176	13.5
195.11671	12.8
197.13269	15.1
198.21024	7.5
208.12581	7.3
209.13300	18.6
211.11156	15.7
213.16444	8.7
221.13281	7.8
223.14842	11.6
229.12286	12.4
235.14978	10.9
237.16177	8.2
241.19467	12.1
249.06415	7.5
251.17891	10.9
252.18724	9.5
259.20535	19.7
265.19553	20.1
305.22827	8.8
333.22217	13.6
351.22949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2317
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
52.10658	3.9
53.03938	4.2
55.01885	3.3
55.05504	12.2
56.63035	3.4
57.03424	5.1
57.07061	3.8
67.05495	33.9
69.07060	18.1
69.80698	27.6
71.04987	5.7
76.54881	3.7
79.05489	18.4
81.07057	33.4
83.08611	16.0
85.06544	5.8
91.05486	31.3
93.07030	35.6
94.07313	3.8
95.04959	13.8
95.08607	43.6
97.06540	9.8
101.09687	3.7
105.07028	48.2
107.08597	44.4
109.06516	7.9
109.10157	33.1
111.08088	11.6
117.07001	12.7
119.08575	49.5
121.06474	4.6
121.10152	57.9
123.08044	5.2
123.11714	10.7
128.06235	9.4
129.06996	14.3
130.07808	4.1
131.08591	31.3
133.10127	39.3
135.11690	16.0
137.05965	15.9
138.89395	3.8
141.06963	5.1
142.07796	11.2
143.08559	22.3
144.09383	5.1
145.10114	42.6
147.08051	4.5
147.11696	15.9
149.09587	4.9
149.13246	6.1
155.08554	10.1
156.09377	9.1
157.10127	32.3
158.10934	6.1
159.08044	7.5
159.11691	32.0
161.09612	4.6
161.13307	11.2
163.11270	5.2
167.08540	6.6
168.09370	7.0
169.10136	17.1
170.10909	6.8
171.11662	24.0
173.09572	5.5
173.13309	19.7
175.11154	4.6
175.14774	8.4
179.08615	5.8
179.14301	4.2
181.10144	12.3
182.10939	5.8
183.11642	21.5
184.12299	5.2
185.13248	15.0
187.11230	8.0
187.14774	21.2
193.10179	4.7
194.10803	4.8
195.11685	17.5
196.08919	4.0
196.12379	4.8
197.13193	20.3
199.11299	5.3
199.14966	5.3
201.12729	4.9
207.11632	7.8
209.13272	17.6
211.11186	10.4
211.14827	14.2
213.16330	7.4
221.13257	8.4
222.16611	4.2
223.14806	9.7
225.16412	10.9
229.12213	8.8
233.13235	4.8
235.14850	9.5
237.16339	11.3
239.18118	6.5
240.18692	5.4
241.19534	4.5
252.18710	7.6
253.40227	4.6
259.20541	6.3
265.19635	12.1
277.15921	5.3
277.21811	7.2
293.19125	3.8
295.16885	8.5
309.21991	3.7
323.23856	7.5
333.22220	18.0
335.04343	3.8
351.23059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.68925	0.6
71.34026	1.2
72.49871	0.6
75.23548	0.6
77.00917	0.8
79.05528	0.8
81.00001	0.6
81.07044	1.3
83.34190	0.6
91.74873	0.6
111.78490	0.6
151.76385	0.7
215.11314	2.8
233.12271	1.1
243.14429	1.6
253.12883	3.0
257.12369	0.8
271.13989	3.6
315.18301	1.0
333.19128	3.4
351.21402	100.0
352.21576	2.1
369.21136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03942	1.5
55.05502	3.1
56.96577	1.7
64.34956	1.1
67.05495	5.7
69.07062	2.3
69.82777	6.4
71.04974	1.0
71.08632	1.8
75.61169	0.9
76.77610	1.0
77.00877	1.1
79.05495	3.3
81.07054	4.3
91.05475	3.5
93.06530	1.0
93.07041	4.5
95.04964	1.5
95.08595	2.7
98.97626	1.1
99.08076	2.3
105.07037	2.3
105.20470	0.9
107.08600	3.8
108.86826	1.2
109.10146	2.3
118.97949	1.0
119.08620	2.4
121.10159	1.3
123.11730	1.7
131.08543	1.6
133.10104	1.6
137.05984	1.8
145.10110	1.2
147.00610	1.1
150.47897	1.1
151.11195	2.3
153.09099	1.1
161.13367	1.5
213.09825	1.3
259.20544	2.2
269.12332	9.3
277.21552	3.9
292.13998	1.5
333.17163	5.3
351.21454	100.0
352.21838	1.3
374.19742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54380	1.6
53.03946	4.0
54.10352	1.4
55.01889	2.1
55.05512	100.0
55.12047	1.6
56.05852	16.5
56.96289	3.1
56.96566	53.3
57.03441	3.4
67.05502	25.6
68.05841	4.6
69.07073	8.1
70.49075	3.5
71.04962	2.2
71.08633	22.4
71.95256	6.4
72.08972	2.7
72.96056	3.1
73.83803	1.8
79.05497	15.4
81.07054	31.7
82.07386	4.7
83.05020	1.8
83.08618	86.4
84.08950	20.4
91.05470	13.5
92.05783	2.1
92.98743	1.9
93.07040	17.3
94.07396	2.5
95.04932	2.3
95.08591	8.5
96.08916	2.1
97.06542	3.5
97.10171	6.4
98.10513	2.7
99.08086	15.9
100.08427	4.7
101.09627	3.7
105.07027	8.5
107.08601	11.1
108.08891	1.8
109.06530	1.7
110.97596	2.8
111.08080	5.5
117.06999	3.0
119.08558	5.6
121.10150	5.6
123.01209	2.2
125.09605	5.1
128.98586	4.5
130.99965	1.9
131.08574	3.9
132.10197	3.3
133.10144	6.7
135.11700	4.8
136.11993	1.7
145.10133	1.7
146.99707	3.1
147.11699	5.6
149.13252	11.9
150.13623	4.0
151.11160	4.1
152.11465	1.7
155.03810	3.6
159.11699	4.8
161.13245	1.9
163.11237	2.8
166.12994	1.6
167.14421	1.8
171.03326	2.5
175.14896	2.5
178.13150	1.9
183.03114	2.0
185.04803	2.0
186.05556	1.9
189.04366	4.0
189.07944	2.5
189.11253	2.1
195.13751	3.9
199.06406	4.5
203.05881	4.7
213.07980	11.9
214.08347	3.6
217.07489	7.3
218.07841	3.0
225.08015	4.0
226.08232	2.5
229.07430	4.0
231.09030	19.0
232.09496	4.0
237.07922	3.2
239.09654	4.0
240.09749	2.3
241.11134	13.2
242.11481	4.6
243.09010	4.4
247.08469	3.3
251.09579	5.4
252.10019	3.5
253.11209	1.9
255.09045	5.3
256.09256	2.2
257.10590	4.4
258.11069	2.2
259.12183	15.9
259.20676	2.6
259.24603	3.9
260.12549	6.0
269.10605	39.1
270.10913	24.4
271.11380	1.7
273.10132	3.4
277.21649	6.4
278.21951	3.6
287.11639	22.9
288.11984	11.5
292.12256	2.9
295.22897	2.1
333.17239	13.1
333.31873	1.7
334.17679	12.2
335.18103	2.4
351.18280	26.5
351.21463	47.8
351.28964	15.4
352.18698	29.4
353.18631	3.8
369.19504	62.0
370.19809	58.7
371.19836	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	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01865	1.3
55.05512	6.7
56.96291	1.4
56.96568	25.6
57.03423	3.5
57.07055	1.1
61.33263	0.8
61.61774	0.9
67.05508	15.6
69.07072	5.1
71.04990	1.1
71.08636	5.2
71.59277	1.4
71.95259	2.2
79.05497	11.9
81.07059	13.5
83.04990	1.5
83.08609	2.9
84.96025	0.8
85.06516	1.2
91.05476	8.2
92.98656	1.3
93.07050	13.7
95.04943	3.1
95.08607	8.7
97.06516	1.5
97.10175	2.2
97.96823	0.9
98.97587	1.8
99.08071	3.6
103.00694	1.2
105.07041	7.7
107.08611	8.7
107.41349	0.9
109.06555	1.7
109.10165	5.4
115.97835	1.4
116.98608	1.2
117.07000	1.3
117.74082	1.0
119.08591	7.6
121.01777	1.3
121.10144	4.8
123.01181	1.2
123.11648	1.4
125.09590	1.3
128.98596	2.4
131.08543	2.2
133.10121	4.5
134.99559	1.0
135.11673	5.5
137.02782	1.0
137.09569	1.0
141.02286	0.9
143.08577	2.1
145.10129	1.5
146.99644	4.1
147.11673	4.2
149.09517	0.9
149.13229	3.2
151.11140	2.1
153.02266	0.8
155.03777	2.2
157.10083	1.4
159.03305	1.5
159.11754	1.8
161.13252	4.4
163.11296	1.1
163.14816	1.3
165.00638	1.2
171.03259	5.2
171.11813	1.3
173.04834	3.6
173.13258	1.2
175.02744	1.2
175.14781	1.4
179.14308	4.8
187.14783	1.0
189.04330	4.3
191.05875	2.8
197.08530	1.9
199.02835	1.4
199.06419	4.3
201.04347	1.9
203.05898	3.2
215.05832	1.1
215.09540	1.3
217.07481	4.6
219.09082	1.5
227.05966	2.1
229.07497	3.1
231.09053	1.1
231.17499	1.2
231.21216	1.0
241.07822	1.1
241.19551	3.1
243.09039	11.3
247.08469	1.4
255.09079	2.4
259.08691	1.0
259.20615	7.9
261.10165	7.3
266.10596	1.0
273.10074	1.9
277.21585	6.6
315.16409	1.5
333.17355	45.0
334.17575	2.5
351.18436	100.0
351.24786	11.5
352.18839	4.8
369.19513	42.1
370.19830	2.1
374.20044	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60489	0.7
53.03938	2.4
55.01872	5.5
55.05511	8.8
56.96566	38.2
57.03438	3.4
57.07053	2.1
59.04987	0.7
59.37879	0.6
60.64916	0.6
67.05172	1.2
67.05504	19.4
69.06774	0.8
69.07071	8.8
70.49796	2.0
71.04974	0.7
71.08631	8.1
71.95249	3.6
72.96054	1.2
74.97607	2.1
79.05493	11.6
79.19926	0.6
81.03421	8.6
81.07053	17.2
83.04980	3.9
83.08620	5.0
84.96033	1.7
85.06554	1.4
85.10176	0.8
86.09696	0.7
91.05476	8.1
93.07040	14.1
95.04971	7.8
95.08047	0.7
95.08605	10.3
97.06528	3.2
97.10164	2.3
97.96848	1.0
98.97572	1.5
99.08094	5.5
105.07017	7.2
107.04954	1.2
107.08611	7.4
109.06509	2.2
109.10152	6.7
110.97564	1.3
111.08079	7.3
113.09627	1.9
116.98600	1.6
117.07030	1.2
117.96171	0.6
119.08556	5.3
121.06554	0.8
121.10127	5.4
123.01205	1.6
123.08057	0.9
123.11694	1.5
124.51317	0.6
125.09656	2.2
128.98596	3.5
129.07018	1.1
131.08553	2.3
133.01726	1.0
133.10132	7.0
134.99625	1.1
135.08076	1.0
135.11687	5.7
137.02742	1.3
137.09618	1.8
137.13246	1.2
139.00693	0.7
139.11189	1.2
141.02245	1.7
143.08527	1.4
145.10100	2.6
146.99643	5.8
147.11670	4.4
149.09590	1.0
149.13240	3.0
151.11200	8.5
153.02228	0.9
153.09050	0.7
153.12717	1.4
155.03761	2.3
157.01753	1.3
157.10179	1.1
159.03246	1.6
159.11664	2.0
161.01192	1.1
161.04832	0.8
161.13229	3.7
163.11172	2.2
163.14830	1.4
165.00696	0.8
165.12741	3.8
167.03751	1.2
169.01718	1.0
171.03294	3.9
171.10323	0.9
171.11763	1.5
173.04918	1.6
173.13319	1.4
175.02795	0.8
175.06404	0.7
175.11069	0.9
175.14848	2.1
179.14235	3.2
181.05298	1.2
183.03242	1.0
183.06827	0.8
185.04895	2.3
185.13371	1.1
187.02748	1.5
187.06546	0.8
189.04384	2.7
189.07974	1.9
189.12737	1.0
191.05960	1.4
193.03775	0.9
197.04979	0.8
197.08444	1.1
199.06415	5.6
199.14796	0.8
201.04314	1.4
201.07990	1.5
203.05801	4.0
203.09656	0.7
205.07492	1.0
207.07112	0.9
207.08932	1.6
207.13736	0.9
209.04802	0.7
211.06425	2.8
213.07973	3.8
215.05867	1.2
217.07472	9.7
219.08992	1.4
223.02939	0.9
223.10101	0.8
225.07985	3.9
227.05914	0.8
229.07512	8.3
231.09041	7.8
231.21045	2.3
235.08435	0.9
237.07993	3.9
239.09575	2.5
240.06619	0.9
241.07408	1.4
241.10985	1.3
241.19545	1.8
243.09056	6.3
245.10658	0.9
247.08481	5.3
249.22095	2.2
251.09340	1.0
253.11195	2.6
255.09056	17.7
257.10623	2.2
258.07828	0.7
259.20615	5.0
261.10123	2.9
270.10028	0.7
271.12076	0.9
273.10083	12.7
277.21628	21.8
278.10657	2.4
295.22678	0.8
296.11713	0.9
304.88818	0.7
305.17960	1.3
315.16364	2.9
323.18817	3.9
333.17340	32.0
334.17719	1.4
351.18423	100.0
351.24899	14.0
352.18750	4.1
369.19492	53.5
370.19766	3.2
374.20056	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	351.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
56.96561	25.5
57.03418	1.0
57.07067	0.5
59.04996	0.3
67.05501	3.5
69.07046	1.6
69.34714	2.0
69.35133	1.3
71.95262	5.8
72.96024	0.4
74.97591	1.5
77.18384	0.3
79.05485	3.4
81.03392	0.8
81.07049	6.0
82.33172	0.3
83.04984	0.5
83.08599	0.6
84.96036	1.6
85.49814	0.4
86.09717	1.8
89.96268	0.4
91.05469	3.1
92.98635	0.6
93.06483	0.4
93.07037	5.2
95.04936	1.1
95.08608	3.3
95.35888	0.4
96.46867	0.3
97.10150	0.4
97.96816	0.9
97.99154	0.5
98.20650	0.6
98.96928	0.4
98.97571	5.9
99.08070	0.6
99.76062	0.3
102.97042	0.5
105.00180	0.6
105.07003	3.4
107.04913	0.4
107.08592	3.3
109.06493	0.6
109.10191	1.6
110.97538	1.1
113.53336	0.3
115.97784	1.0
116.98608	6.9
117.06967	0.8
119.08578	2.9
121.10133	2.3
123.01172	1.2
123.08086	0.5
123.11675	0.6
123.78284	0.3
125.09595	0.4
126.58911	0.3
128.98599	5.0
129.06963	0.4
131.00153	0.6
131.08578	1.6
133.10117	3.0
133.98828	0.8
134.99641	4.9
135.11653	2.3
137.02689	0.4
139.00664	0.4
140.00009	0.4
141.02222	0.9
142.20618	0.4
143.00070	0.7
143.08513	0.7
145.01668	0.6
145.10081	1.4
146.99646	5.7
147.11674	2.9
149.01192	1.4
149.13313	1.7
149.14227	0.3
151.11163	1.1
153.00629	0.5
153.02231	0.4
155.03773	1.7
157.01709	1.2
157.10164	0.8
159.03241	1.2
159.11670	1.5
161.01193	1.7
161.13278	2.3
163.02763	1.4
163.14810	0.6
165.00679	1.1
167.02312	0.4
167.03796	0.6
169.01729	1.2
169.05374	0.7
171.03270	4.6
171.11671	1.0
173.04852	5.9
173.13260	0.7
174.01945	1.2
175.02773	4.6
175.14748	1.0
177.04312	0.4
179.02173	0.5
181.01688	0.6
181.03802	0.8
183.03250	1.3
185.01230	0.5
185.04790	1.6
185.13152	1.0
186.01939	0.4
187.02756	1.7
189.04332	2.7
191.05934	3.7
193.02100	0.6
193.03810	3.6
195.03178	0.4
197.04840	0.8
198.04274	0.4
199.02713	0.9
199.06357	0.7
199.14816	0.9
200.03554	0.6
201.04343	5.2
202.05035	0.5
203.05862	1.7
209.04762	0.5
211.02724	2.4
211.06357	0.4
212.03572	3.7
215.05850	1.2
217.03780	0.5
217.07422	0.4
217.19485	0.4
219.05351	2.7
222.05573	0.5
224.05873	0.6
224.77589	0.4
225.04350	3.7
225.07803	0.5
227.05833	1.1
228.06525	0.4
229.03796	0.8
229.07457	0.8
230.04654	1.7
230.08257	0.4
231.09015	0.9
231.21098	0.7
236.03566	1.0
237.08023	0.6
239.05913	1.6
239.09573	0.4
240.06697	8.0
241.07465	1.0
241.19455	1.6
243.05408	2.3
243.09052	0.4
245.06944	0.5
247.08498	0.6
248.05870	0.6
249.07857	0.7
251.09525	0.4
253.07463	1.0
253.11241	0.7
254.04616	1.4
255.08972	0.4
257.06876	0.7
258.07758	5.8
259.08420	0.6
259.20541	5.2
263.08289	0.7
267.09009	0.5
271.08588	0.6
275.09448	0.5
277.21570	1.8
297.15167	0.9
303.16196	0.7
313.14615	0.4
315.12555	0.6
315.16266	10.8
321.17349	1.3
331.15863	0.8
333.17328	46.7
334.17520	2.2
349.16971	0.6
351.18390	100.0
351.25351	4.9
352.18704	3.4
356.18961	1.9
369.19467	22.2
370.19724	0.9
374.19977	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	351.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94427	0.4
55.05511	2.6
56.96566	25.4
57.03423	1.3
67.05507	6.1
69.07051	1.9
69.51174	1.0
69.51580	3.1
71.04962	0.6
71.08640	2.2
71.95266	3.1
72.96026	1.3
74.97612	1.4
79.05499	3.6
81.07058	5.5
83.08626	1.3
84.96029	0.9
91.05482	3.6
93.07048	4.2
95.04975	1.0
95.08598	3.3
97.06501	0.6
97.96814	1.7
98.97575	1.5
99.08099	1.4
100.91212	0.4
105.03377	0.6
105.07038	2.8
107.08573	2.7
109.06512	0.7
109.10138	1.9
110.97601	1.4
111.08057	0.6
115.00667	1.0
115.97826	1.2
116.55660	0.4
116.98590	1.6
117.06985	0.7
119.08586	2.6
121.01764	0.5
121.10126	1.7
123.01237	0.7
127.00731	0.5
128.98572	2.7
131.08571	0.6
133.01729	1.2
133.10109	2.0
133.98866	0.9
134.99643	1.4
135.11690	1.5
137.02731	1.1
137.05951	0.5
141.02156	0.7
143.08559	0.5
145.10130	0.9
146.99622	3.6
147.11668	1.8
149.09627	0.7
151.04335	0.5
151.11116	0.8
153.02278	0.6
155.03775	0.9
159.03325	1.2
159.11694	1.2
161.01247	1.1
161.04880	0.6
161.13249	1.3
163.11285	0.7
165.00735	1.2
169.05396	1.0
171.03319	2.3
171.11691	0.9
173.04861	0.5
175.02789	0.7
175.14847	0.9
181.05434	1.1
183.06996	0.5
185.04893	1.2
185.13254	0.5
187.02742	1.0
189.04311	2.6
189.12862	0.6
191.05870	0.7
195.06937	0.6
197.04892	1.3
198.05705	0.6
199.02875	0.6
199.06409	9.1
201.04399	0.9
201.08052	0.5
203.05902	3.4
205.05521	0.6
205.07419	0.7
211.06525	0.6
213.08032	1.8
213.16417	0.6
215.05928	1.1
217.07483	14.9
219.08957	0.5
221.04842	0.5
222.08128	0.6
223.06389	3.5
223.10088	1.0
225.04370	1.3
227.05864	0.9
229.07561	2.6
231.08929	2.5
231.21033	0.5
239.05821	1.0
239.09587	1.0
240.09067	0.8
241.07471	17.6
241.11111	10.4
241.19565	0.8
243.08946	0.6
245.10555	0.5
247.08549	1.5
257.10574	1.5
259.08533	28.5
259.12155	15.2
259.20654	1.7
260.08948	0.7
261.10281	0.6
264.09134	1.4
264.12683	1.0
267.09082	0.7
269.10608	0.4
277.09616	6.1
277.21655	1.9
281.10593	3.8
282.10117	3.3
282.13547	1.3
299.11609	6.2
303.15915	0.6
304.12241	0.6
315.16345	1.6
317.12686	0.7
321.17426	0.7
322.13242	0.6
333.17361	10.8
351.18396	100.0
351.25394	4.4
352.18802	2.8
369.19489	19.0
370.19595	0.6
374.19839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.1
57.03428	1.1
57.40199	1.1
69.03403	1.5
70.06582	1.9
70.36066	4.0
71.95262	1.1
72.20341	1.0
75.08789	1.1
81.03419	1.3
84.08141	4.7
84.96036	3.6
85.02912	4.0
86.09683	1.3
90.12331	1.0
91.36919	1.1
94.95383	1.0
95.08649	1.0
97.02908	2.4
98.97581	75.5
108.95945	1.0
110.97598	3.6
111.04473	1.4
116.98618	72.1
120.08053	4.1
124.84198	1.1
128.98610	7.2
129.10245	2.7
130.08650	1.3
131.00188	2.0
134.98619	2.0
134.99654	40.3
136.06195	4.9
137.06532	2.5
140.00151	1.6
143.00203	1.3
145.01782	2.6
146.99641	9.8
147.03284	2.7
149.01282	1.7
152.98650	1.3
153.00702	5.3
158.01260	1.5
158.99658	28.8
161.01219	2.7
162.05537	1.6
162.99115	1.1
163.02808	3.3
165.00641	1.7
165.04323	2.7
167.10431	1.3
170.99643	3.6
171.03336	3.2
177.00719	60.9
177.10249	1.5
187.59995	1.0
189.00735	3.9
189.02611	2.4
189.04314	18.2
195.01752	5.8
200.02330	1.4
207.05408	4.2
219.01724	11.8
231.05385	4.2
237.02808	26.1
249.06557	2.0
251.15211	1.3
255.04044	1.6
263.23959	1.2
291.07523	24.5
309.08554	100.0
310.08951	1.7
332.10165	2.7
351.09610	35.9
351.16141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01857	9.1
55.05490	8.6
56.96545	6.6
57.03423	12.7
57.07061	3.0
59.04987	11.5
60.65500	2.6
61.02912	12.4
66.38747	2.4
67.05489	10.8
69.03073	4.2
69.03427	65.1
69.07059	5.4
70.06584	3.9
71.01347	3.5
71.05006	17.6
71.11399	6.6
73.02911	5.0
74.66685	2.8
79.05497	13.3
81.03418	21.3
81.07053	13.8
82.97365	2.4
83.04983	29.1
83.08617	4.5
84.08134	2.7
85.02905	39.7
85.06541	10.0
86.09705	2.8
87.00809	2.8
89.06004	2.6
91.05473	31.3
93.07044	24.0
95.04971	19.1
95.08607	10.8
97.02891	30.0
97.06500	7.7
98.97591	5.2
99.04440	18.2
103.03960	6.9
103.05452	5.6
105.07021	50.5
106.06606	2.9
107.04941	7.7
107.08595	34.1
109.02849	7.7
109.06512	69.4
109.10136	6.1
111.04433	9.6
111.08061	6.4
115.05469	4.0
116.98599	7.4
117.07017	10.8
119.04922	3.5
119.08574	53.8
121.06496	19.4
121.10149	36.6
123.08060	100.0
123.11714	5.0
127.03922	20.8
128.06218	8.2
129.05486	14.7
129.06985	20.3
130.07811	7.3
131.08569	27.3
133.06491	8.1
133.10132	15.2
134.99564	3.7
135.08069	19.1
135.11703	31.1
137.05981	4.3
137.09630	9.1
141.06967	3.6
142.07784	8.9
143.08548	24.0
144.09386	16.9
145.04953	12.8
145.06476	10.4
145.10115	44.7
147.08043	23.5
147.11684	24.8
149.05908	14.0
149.09605	41.7
151.07512	11.7
153.06982	4.0
155.08534	6.6
156.09358	12.8
157.10173	16.7
158.99802	3.4
159.08035	12.2
159.11679	57.9
161.05965	4.5
161.09625	14.3
161.13235	9.6
163.11180	93.9
165.06992	6.3
165.12715	4.5
167.08553	6.6
169.06360	3.2
169.10104	9.1
170.10922	6.3
171.08046	11.6
171.09390	2.9
171.11705	21.9
172.08800	12.0
173.06104	3.1
173.09573	15.2
173.13162	4.3
174.10402	3.4
175.07578	6.0
175.11110	8.5
177.00725	3.8
177.12772	19.3
179.08524	6.8
181.10147	4.0
183.07986	4.1
183.11714	14.6
185.09566	8.6
185.13281	5.3
187.06033	3.3
187.07574	3.6
187.11188	31.4
189.09012	7.5
189.12756	50.3
190.13078	3.1
191.10715	3.9
194.10869	5.8
195.07906	3.5
195.11688	8.6
197.09650	5.2
197.13287	6.2
199.07588	3.3
199.11217	6.2
201.09106	3.6
201.12759	8.1
203.10634	4.4
203.14311	3.0
205.12201	31.8
207.11998	5.0
207.13724	25.2
209.13225	10.7
211.11191	11.6
213.09081	4.0
213.12761	19.8
215.10687	8.2
217.08591	4.5
222.10385	3.4
225.12688	9.5
227.14275	9.1
229.12268	9.3
231.13838	15.2
236.11690	2.7
237.12695	8.4
243.13834	11.1
245.15372	3.1
247.13161	3.5
255.13760	18.0
256.14136	3.7
269.15448	4.6
273.14838	36.8
275.12738	3.6
285.14923	9.0
293.13763	4.2
295.11737	8.1
297.14908	8.3
315.15930	28.2
327.07431	12.7
333.16916	17.6
351.11890	5.5
351.13498	4.5
351.17972	85.6
352.18433	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63140	3.8
52.19484	4.5
57.48130	3.9
70.58683	7.8
70.59079	8.3
85.02937	4.6
85.30983	4.5
86.85074	4.0
98.19926	4.5
98.97596	5.3
113.97720	4.3
119.01891	10.4
121.01651	21.5
133.01619	12.5
139.02687	5.1
145.03511	4.4
146.99590	4.8
157.03476	6.4
163.02711	5.6
169.85037	4.5
170.99576	10.3
173.02971	11.7
177.00726	6.9
185.02997	7.8
189.00620	6.4
192.22369	4.2
201.00618	5.5
217.00182	18.9
231.01794	9.4
249.02609	19.8
261.02637	6.0
279.03818	6.2
289.07755	8.8
291.04089	4.7
335.10776	4.6
351.06924	100.0
351.12543	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.5
55.01886	0.6
55.05513	5.8
57.03430	0.7
57.07064	1.4
67.05510	5.8
69.06717	0.8
69.07068	10.5
71.04986	1.4
71.06398	0.9
73.06554	0.5
79.05489	4.1
81.07060	8.7
83.04953	0.9
83.08623	4.1
91.05482	2.1
93.07041	5.5
95.04959	0.8
95.08611	6.5
97.06536	2.2
97.10173	1.0
100.53642	0.4
105.07022	2.4
107.08597	5.3
109.06523	11.5
109.10146	3.4
111.08079	2.1
112.91056	0.4
119.08581	4.6
121.06519	0.6
121.10152	3.4
122.07249	0.6
123.08069	64.6
123.11714	1.2
124.08411	0.5
125.09622	0.5
131.08553	0.8
133.10135	2.1
135.08057	5.4
135.11693	1.3
136.08887	0.7
137.09621	4.1
145.10130	1.5
147.11703	1.6
149.09659	1.4
149.13264	1.8
159.11676	1.5
161.13272	1.3
163.11223	0.6
167.14333	0.5
173.13269	0.8
175.14810	0.7
177.12799	0.6
179.14299	8.4
179.15805	0.6
215.18242	0.5
229.19412	0.5
233.18991	0.7
261.22180	0.4
275.20084	1.7
281.21317	0.5
289.25204	0.7
293.21100	15.6
303.26816	0.5
307.22675	1.2
307.26157	0.5
307.38699	0.5
331.26337	3.7
349.27371	100.0
350.27686	1.8
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
53.03937	6.2
53.13095	1.5
55.01864	8.7
55.05499	2.0
56.96558	6.2
57.03446	6.6
57.07066	2.6
60.04523	2.5
61.02924	7.7
67.52995	1.4
68.99783	4.9
69.03434	40.7
69.07070	3.4
69.93925	6.7
70.06586	5.4
71.04970	3.8
72.08141	2.4
73.02911	6.2
81.03424	23.8
81.07058	2.7
84.08134	2.0
84.96038	3.7
85.02908	100.0
86.09709	30.4
87.00313	1.8
87.00834	32.6
89.79560	1.3
91.05471	8.9
97.02891	20.5
98.21519	1.3
98.97597	9.7
99.04465	14.2
102.09185	62.0
103.03976	1.4
105.01873	33.7
107.05040	1.9
109.02197	2.1
109.02883	20.5
110.97601	1.6
115.03963	1.7
116.98636	9.0
117.01845	2.7
120.08149	9.5
127.03924	55.5
128.98564	1.7
129.01817	2.8
129.10202	1.4
131.00050	1.8
131.60628	1.3
134.99661	7.3
135.11728	1.5
145.04953	18.0
147.02853	2.9
157.13367	6.5
158.99678	3.0
159.02905	12.7
161.01198	2.2
166.08629	6.2
177.00739	4.9
185.12857	8.8
189.00722	2.2
189.03992	2.9
193.12224	2.0
207.03297	3.2
211.13272	3.3
213.03986	1.5
231.04977	12.5
237.02795	7.2
237.12325	2.6
244.06142	1.7
268.73328	1.4
304.13815	2.1
309.06479	6.1
327.07538	20.7
350.19827	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.14997	0.3
50.37322	0.3
55.01842	0.2
55.05513	1.9
56.27035	0.3
57.07072	4.1
57.53885	0.3
60.10956	0.3
67.05508	3.6
69.03423	0.4
69.07063	2.4
69.90370	1.3
71.04967	0.7
71.08637	2.3
79.05482	2.5
81.07055	6.1
83.04957	0.7
83.08587	1.0
85.06535	2.3
91.05481	1.7
93.07034	3.3
95.04945	0.7
95.08608	5.7
97.06535	0.8
97.10170	0.4
98.20783	0.3
99.08075	1.0
105.07015	1.9
107.08595	2.9
109.06514	17.3
109.10149	2.5
111.08067	0.7
111.39999	0.4
117.07040	0.5
119.08588	2.6
121.06523	0.4
121.10152	2.5
122.07256	2.3
123.08063	25.3
123.11691	0.8
129.06963	0.4
131.08537	1.3
133.10126	1.7
135.08047	3.2
135.11693	1.0
137.09598	0.4
137.13243	0.5
143.08524	0.4
145.10110	1.4
147.11673	0.9
149.09647	0.6
149.13254	0.5
151.14877	0.4
154.04362	0.3
155.08566	0.4
157.10133	1.0
159.11630	0.9
161.13307	0.5
165.12711	0.7
167.08395	0.4
167.14331	0.6
169.10147	0.4
171.11697	0.3
173.13237	0.7
175.14897	0.4
175.77278	0.3
177.16280	0.3
179.14304	100.0
180.14563	1.9
185.13290	0.3
187.14851	0.5
193.15822	2.2
195.11652	0.4
195.32550	0.3
209.13350	0.4
211.14743	0.3
215.17810	0.3
228.97589	0.3
231.19235	0.3
233.19028	0.3
289.25314	0.5
293.21057	0.4
331.26398	2.4
349.27380	81.6
350.27695	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	1.0
53.51633	0.6
55.01867	1.1
55.05514	7.1
57.03437	0.6
57.07073	1.7
57.18920	0.5
67.05508	6.9
69.07066	11.9
71.05014	1.1
71.08678	0.6
71.37929	1.2
79.05477	5.3
81.07053	11.9
83.04984	0.7
83.08624	4.7
85.06531	1.3
91.05479	2.4
93.07028	7.3
95.04951	1.1
95.08604	8.4
96.08916	0.7
97.06535	2.0
97.10173	1.8
101.03530	0.5
105.07030	3.4
107.08587	6.1
109.06521	12.4
109.10153	5.1
111.08087	1.8
117.06966	0.9
119.08569	4.6
121.06526	0.7
121.10134	3.7
122.07313	1.0
123.08067	79.1
123.11706	2.4
124.08418	1.1
125.09629	1.2
131.08577	1.7
133.10129	3.1
135.08046	6.0
135.11691	2.7
137.09619	4.0
137.13202	1.1
145.10112	1.6
146.39587	0.6
147.11678	2.2
149.09644	1.9
149.13242	2.4
151.11111	0.6
159.11684	1.9
161.09695	0.7
161.13271	2.0
163.11276	1.0
165.12724	0.8
167.14188	0.8
173.13362	0.7
177.12738	0.8
179.14275	3.0
233.18974	0.8
263.20187	0.6
275.20038	3.0
289.25183	1.0
293.21112	17.9
307.22754	0.8
331.26245	3.8
349.27377	100.0
350.27756	2.9
361.97568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05493	2.1
57.03417	0.9
57.07075	4.4
60.87617	0.6
65.20834	0.5
67.05507	3.0
69.07072	2.8
71.08624	2.9
71.93194	0.5
73.42891	0.5
73.86962	0.6
76.72441	0.6
79.05490	3.5
81.07062	7.3
82.78901	0.5
83.08599	0.9
85.06523	2.2
88.94001	0.5
91.05466	2.8
93.07052	3.7
95.04941	0.9
95.08594	6.1
97.06522	0.6
97.10126	0.7
98.20712	1.4
99.08079	1.6
103.21780	0.6
105.07018	2.7
107.08591	4.3
109.05788	0.9
109.06519	16.9
109.10145	2.5
111.08056	0.8
119.08566	2.8
121.10131	1.5
122.07280	1.8
123.07185	1.2
123.08070	24.5
123.11677	0.8
124.24610	0.6
133.10127	1.4
135.08057	3.5
135.11668	1.0
137.09607	1.3
147.11664	0.9
149.13222	0.8
157.10040	0.6
159.11627	0.9
161.13260	1.2
165.12706	0.7
173.13315	0.7
179.14305	100.0
180.14641	2.2
185.13200	0.6
193.15872	2.1
275.20105	1.2
289.25262	0.8
312.08139	0.6
331.26263	2.2
349.27371	76.7
350.27811	3.2
353.14667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.05508	19.5
57.07067	8.6
67.05503	40.8
69.07067	24.5
71.05022	6.0
71.60253	10.4
71.60631	7.0
79.05502	31.8
81.07049	54.0
83.08616	13.2
91.05487	51.7
93.07053	81.3
95.04973	25.1
95.08630	43.8
97.06516	12.9
105.07024	100.0
107.08597	67.2
109.06533	19.0
109.10152	42.7
116.06283	5.6
117.07030	18.5
119.08578	95.1
119.62549	6.1
121.06527	12.6
121.10155	73.7
123.08099	30.0
123.11720	11.2
128.06189	11.7
129.07008	17.7
130.07780	8.0
131.08566	66.7
133.10120	55.0
135.08087	18.8
135.11673	21.1
137.09578	6.7
141.07007	6.8
142.07822	10.8
143.08508	42.7
145.10118	58.5
146.07210	7.2
147.11681	21.8
149.09642	11.9
155.08643	14.1
156.09349	8.7
157.10135	52.1
157.27417	5.8
158.10924	8.2
159.11690	27.5
161.09612	23.6
161.13264	7.2
169.10179	18.5
170.10829	6.8
171.11656	24.9
173.13278	30.7
175.11177	9.3
175.14844	10.6
179.08589	12.0
179.14302	29.0
181.10138	12.2
183.11713	18.4
185.13264	17.1
187.14890	24.7
194.11060	10.0
195.11682	14.3
196.12468	8.4
197.13226	11.9
199.14890	14.2
200.15559	8.1
209.13295	25.7
239.17943	11.6
331.24026	7.0
349.25259	42.5
349.27451	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	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.6
56.10233	4.6
57.03422	6.3
67.05503	40.2
67.85748	4.4
69.07066	24.6
69.34252	53.9
71.04990	10.8
79.05480	45.7
81.07059	66.0
83.08618	9.9
87.13523	4.1
87.76820	4.2
91.05476	64.1
93.07040	72.9
95.04993	24.9
95.05482	4.3
95.08610	46.2
97.06530	13.5
98.21532	8.1
105.07025	100.0
107.08590	66.4
109.06503	11.7
109.10146	30.5
111.08059	6.4
117.07004	15.7
117.56802	4.3
119.08569	77.7
119.53870	4.4
121.06506	5.2
121.10141	85.0
121.21926	4.4
123.08068	14.4
123.11645	6.5
128.06171	7.4
129.06979	14.5
130.07820	7.2
131.08571	51.9
133.10132	52.8
135.08037	16.5
135.11685	21.0
137.09531	6.1
141.06982	6.6
142.07750	9.1
143.08592	29.2
144.09338	8.4
145.10129	64.6
147.08006	6.0
147.11673	18.9
149.09625	11.6
149.85112	4.7
155.08511	13.9
156.09294	9.6
157.10121	33.2
159.08002	5.5
159.11652	23.7
161.09625	17.3
161.13228	9.8
169.10123	16.3
170.10873	8.2
171.11665	19.2
173.13293	23.5
175.11255	8.5
175.14816	8.7
179.08606	6.3
179.14337	11.8
181.10115	9.6
182.10878	5.8
183.11647	23.6
185.13260	19.4
187.14812	18.7
194.10858	10.2
195.11707	14.9
197.13243	19.7
199.14833	12.7
204.53120	5.2
209.13290	15.5
211.14801	16.0
223.14786	7.6
227.14249	7.0
253.19469	8.7
275.20105	16.6
312.67340	4.9
331.23901	4.9
349.24930	46.3
350.25418	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01871	10.1
55.05260	1.5
55.05509	21.5
56.96553	2.7
57.03435	15.9
57.07058	2.2
65.03933	3.7
67.05505	43.4
69.03419	3.5
69.06722	1.9
69.07066	23.7
71.04985	3.6
71.59949	1.7
79.05490	56.9
80.05801	1.9
81.03400	2.9
81.07055	100.0
83.04974	5.7
83.08618	15.6
85.06516	2.6
91.05480	50.0
93.06477	2.6
93.07044	46.6
95.04967	10.1
95.08603	42.3
97.06528	14.2
97.10135	2.8
99.08095	2.5
100.11240	1.6
105.07027	45.8
107.04949	9.6
107.08585	31.3
109.06518	35.7
109.10161	16.5
111.04417	1.9
111.08094	3.3
117.07008	20.7
119.08575	38.0
119.41364	1.3
120.08076	2.2
121.06485	6.8
121.10143	22.3
123.08033	5.8
123.11658	4.9
125.09579	3.3
128.06186	2.4
129.06975	5.3
130.07762	2.3
131.08571	29.4
133.06477	1.8
133.10130	31.2
135.08032	5.6
135.11687	13.1
137.09631	7.3
141.06969	4.0
143.08542	5.7
145.06477	1.6
145.10115	42.3
147.07997	3.1
147.11687	21.2
149.09662	9.3
149.13271	8.2
151.11143	5.0
151.66806	1.4
155.08521	3.7
157.10120	8.8
159.11676	23.1
161.09578	2.3
161.13199	4.8
162.56456	1.6
163.11156	8.7
163.14836	2.3
165.12749	4.4
169.10110	6.2
171.11671	7.2
173.09665	3.3
173.13251	11.2
175.11185	4.1
175.14781	2.6
177.12720	4.7
179.14270	1.7
183.11694	6.0
185.13310	2.7
187.14806	2.6
191.14363	3.2
193.12175	3.0
197.13260	4.3
201.12584	1.8
201.16380	1.7
203.14275	1.5
211.14864	2.9
213.16370	2.2
215.14291	2.9
219.17484	1.7
229.19499	10.2
239.17938	13.6
244.62361	2.0
247.20552	10.4
257.19003	32.6
275.20056	62.7
276.20374	3.4
293.21143	2.2
306.65024	1.8
331.22723	1.6
349.19800	12.7
349.23700	75.5
350.24008	3.3
352.96350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13862	1.3
53.03928	5.5
53.78392	1.3
55.01885	7.6
55.05513	24.3
56.96559	2.7
57.03435	17.3
57.07066	1.7
59.40596	1.4
65.03931	2.5
67.05503	46.5
69.03413	3.4
69.06734	1.9
69.07071	22.3
71.04979	2.6
71.60073	2.5
79.05491	61.1
81.03394	5.0
81.07055	100.0
83.04969	7.5
83.08614	13.6
85.06532	3.1
90.29698	1.3
91.05481	52.7
93.07042	50.7
95.04951	14.4
95.08603	39.2
97.06529	13.1
97.10160	2.1
99.08110	2.2
99.96313	1.3
100.11251	2.8
103.05489	1.5
104.77706	1.4
105.07029	51.8
107.04947	10.9
107.08589	32.2
109.06515	32.3
109.10158	14.7
111.08056	5.3
115.05392	2.2
116.06214	1.6
117.07016	21.8
119.07796	2.8
119.08580	41.1
120.08089	2.2
121.06490	5.9
121.10140	18.8
123.08062	4.8
123.11685	5.2
125.09602	4.9
127.16773	1.5
129.06987	5.9
131.08566	29.1
133.10127	37.1
135.08043	6.2
135.11700	8.9
137.05980	1.8
137.09628	8.6
139.11102	1.8
141.06993	3.3
143.08565	6.5
145.06413	1.8
145.10123	39.9
145.11270	1.9
147.08003	3.0
147.11694	23.7
149.09618	12.7
149.13249	6.9
151.11162	6.2
155.08563	4.5
157.10117	8.6
159.08049	1.9
159.11697	25.4
161.09731	3.3
161.13264	7.9
163.11171	10.9
163.14749	1.4
165.09045	2.1
165.12733	6.0
169.10117	5.4
171.11652	8.7
173.09618	3.2
173.13272	10.6
175.11189	3.3
175.14780	1.7
177.12756	5.9
179.14317	2.2
183.11646	5.7
185.13283	3.7
187.11217	2.3
187.14844	3.5
189.12823	1.6
191.14290	2.1
193.12105	1.9
197.13290	5.1
201.12556	1.6
203.14485	1.5
218.72595	1.6
219.17650	2.2
229.19522	8.0
239.17923	12.0
247.20572	9.0
257.18985	36.4
275.20053	71.8
276.20502	1.8
293.20969	2.8
301.20081	1.7
305.20709	1.4
331.19147	1.8
331.22745	1.8
349.19785	14.5
349.23706	75.2
350.23993	4.3
350.70282	1.6
367.18091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01757	1.8
53.03935	3.9
55.01885	10.8
55.05260	3.7
55.05510	45.8
56.96564	7.4
57.03439	14.0
57.07077	2.7
59.04998	3.3
62.08316	1.7
66.85143	2.0
67.05505	53.4
69.03419	3.5
69.07069	16.1
70.52806	7.1
71.04986	4.1
71.08627	2.8
79.05493	100.0
81.03399	3.8
81.07055	40.9
83.04977	23.9
83.08620	13.0
85.06534	2.7
91.05477	37.6
93.07048	57.8
95.04967	12.3
95.08606	20.3
97.06545	4.2
97.10179	14.8
105.07008	34.1
107.04956	25.8
107.08595	60.8
109.06503	7.2
109.10143	25.0
110.04935	2.1
111.08064	4.6
115.05493	2.3
117.06995	14.5
119.08583	23.9
121.06509	3.3
121.10135	21.5
123.08054	6.1
123.11733	5.3
125.09629	14.6
129.07011	5.2
131.08569	18.6
133.10139	18.0
135.08051	7.6
135.11728	7.2
143.08620	2.8
145.10100	12.4
147.11688	15.7
149.09610	44.7
149.13245	3.4
157.10074	4.5
159.11780	8.8
161.13234	4.9
163.11263	3.6
163.14842	4.2
166.35486	1.9
169.10109	2.0
169.12251	4.7
171.11804	2.6
173.11774	3.7
173.13295	5.8
177.12749	2.9
179.14307	3.2
183.11642	4.1
187.11182	3.5
189.04370	1.9
189.11218	8.7
191.14326	3.0
197.13277	1.9
209.15381	3.2
229.19548	6.3
239.18024	2.3
257.19028	9.0
275.20068	35.4
309.17365	7.8
327.18652	3.5
349.17044	4.2
349.23553	28.7
349.27322	5.9
349.34116	2.9
350.23843	2.5
367.17902	4.1
367.37613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01870	14.6
55.05513	35.7
56.96563	10.6
57.03437	23.8
57.07071	4.2
65.03949	4.3
67.05504	69.9
69.03416	4.6
69.07063	36.9
71.03052	5.1
71.04985	5.3
72.93797	4.1
79.05492	99.8
81.03407	6.1
81.07054	77.7
82.35755	3.2
83.04979	9.8
83.08630	17.3
85.06528	6.2
91.05479	81.7
93.07043	56.7
95.04964	14.0
95.08601	51.1
97.06512	18.1
97.10161	7.4
99.08080	4.5
103.05479	3.1
105.07027	84.9
107.04948	19.7
107.08591	64.4
107.93047	2.7
109.06501	12.2
109.10163	22.6
111.08081	3.4
115.05475	4.0
117.07016	30.4
119.08576	53.5
121.06488	11.2
121.10137	24.8
123.08055	6.0
123.11755	4.2
125.09635	11.0
128.06172	3.2
129.06981	5.5
130.07787	3.3
131.08569	43.6
133.06387	4.0
133.10129	44.8
135.08054	9.1
135.11687	15.7
137.09605	4.8
141.06990	3.9
143.08542	14.8
145.10112	64.7
147.08043	3.4
147.11668	40.4
149.09657	20.8
149.13304	6.2
151.11180	5.6
155.08589	8.1
157.10155	12.3
159.11690	36.7
161.09543	3.1
161.13280	10.8
163.11166	14.9
169.10121	4.9
171.10332	2.7
171.11720	11.5
173.13266	13.3
177.12779	4.2
179.14276	5.2
183.11720	7.7
185.13229	9.9
187.11090	3.7
189.11205	6.1
193.12079	2.6
197.13278	6.2
206.04572	2.6
219.17441	9.1
229.19548	6.0
239.17953	15.9
247.20561	6.6
257.19009	48.4
275.20065	79.0
276.20404	3.5
285.10117	5.9
313.14569	3.9
331.15750	10.8
349.14819	9.9
349.19693	32.4
349.23767	100.0
349.31232	4.0
350.23886	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01876	5.4
55.05513	20.8
56.96572	6.3
57.03181	1.4
57.03439	19.5
57.07070	4.1
64.38621	1.0
65.03939	2.8
66.27826	0.9
67.05502	43.7
69.03420	3.7
69.06712	1.8
69.07069	27.3
69.61943	1.4
69.62354	5.5
70.11277	1.0
71.04977	3.6
79.05495	41.4
80.05840	1.3
81.03426	2.2
81.07056	48.1
83.04984	10.6
83.08628	7.6
85.06546	4.2
91.05482	41.8
91.06068	1.1
92.05807	1.5
93.07047	45.6
95.04977	12.7
95.08607	30.2
97.06516	6.4
97.10168	3.8
98.98455	1.8
99.08083	1.4
103.05481	1.5
105.07031	50.4
106.07335	1.4
107.04964	12.0
107.08594	30.9
109.06519	17.4
109.10160	13.6
111.08086	3.3
115.05438	1.7
117.07014	21.8
119.08585	31.2
119.09446	1.5
121.06507	14.3
121.10147	16.7
123.08076	7.5
123.11676	3.4
125.09621	2.0
128.06209	2.3
129.07040	6.7
131.08569	34.5
133.06494	3.2
133.10132	27.2
133.10893	0.7
135.08067	7.9
135.11708	7.5
137.09625	3.6
141.06973	2.7
141.16275	0.9
141.87291	0.9
142.07788	1.2
143.08546	8.5
145.06442	3.0
145.10126	35.1
145.11285	1.8
147.08044	4.5
147.11693	23.1
149.09627	9.7
149.10732	1.4
149.13261	3.3
151.11176	6.6
155.01100	1.3
155.08549	3.1
157.10117	11.0
159.08023	1.8
159.11703	30.1
161.09648	4.5
161.13245	7.5
163.11183	8.6
163.14761	1.1
165.12805	2.0
169.10054	5.1
170.10922	1.0
171.11713	7.6
173.09662	2.9
173.13264	14.5
175.11156	5.3
175.14893	3.5
177.12747	2.9
183.11676	7.4
185.13293	6.6
187.11195	3.4
187.14833	2.8
189.12724	2.7
191.14371	2.9
193.12303	1.2
195.13782	1.2
197.13297	4.8
198.13969	1.1
201.12766	4.3
201.16495	1.3
203.14348	3.6
205.15877	1.4
207.13786	4.6
211.14836	2.1
213.16475	2.2
215.14326	1.6
215.17987	3.2
219.13864	4.3
219.17368	6.0
221.15355	1.1
229.19583	6.8
231.17464	1.6
233.19054	2.0
237.14934	1.0
239.17958	10.9
247.20599	5.5
251.12502	1.1
256.85287	1.0
257.18994	33.2
258.19308	1.1
262.37762	1.0
275.20071	100.0
276.20291	5.8
293.21216	7.0
304.20197	1.0
331.15704	5.8
331.22531	1.7
349.16760	5.1
349.19818	35.0
349.23782	54.3
350.20276	2.5
350.24084	3.0
367.18307	1.3
372.18747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.21692	1.2
54.68633	1.2
55.01871	10.5
55.05507	22.0
56.96564	2.7
57.03435	10.7
57.07062	1.1
67.05502	31.0
69.03410	2.4
69.07061	22.3
70.10558	6.1
71.04995	3.0
79.05054	2.4
79.05492	37.0
79.05955	2.1
81.03426	4.4
81.07056	33.9
83.04980	5.3
83.08609	7.3
85.02898	1.4
85.06513	1.3
91.05482	37.3
93.07042	29.4
95.01338	2.9
95.04966	6.6
95.08595	19.1
97.06522	12.5
97.10130	5.8
98.21527	1.1
105.07028	39.1
105.07748	2.0
107.04958	11.4
107.08593	39.1
109.06532	6.0
109.10163	11.2
111.08118	1.1
117.07006	11.5
119.08583	22.5
119.12318	1.1
121.06481	3.5
121.10126	12.2
123.08088	3.1
123.11778	1.9
125.09623	7.5
128.06230	1.7
129.07004	2.0
131.08575	18.4
133.06451	1.3
133.10127	23.5
135.08041	4.3
135.11679	6.7
137.09584	2.5
137.71864	1.1
138.04382	1.1
141.06963	2.2
143.08563	4.4
145.10120	30.8
147.11679	18.7
149.09625	13.9
149.13261	1.8
151.11156	2.4
155.08614	1.2
157.10109	4.4
159.11687	13.4
161.09625	2.3
161.13243	5.5
163.11145	8.3
169.10149	4.5
171.11711	4.9
173.11813	2.2
173.13255	5.2
177.12750	2.8
179.14301	2.0
183.11699	4.2
187.11208	3.5
189.11240	4.5
191.14279	1.8
197.13264	3.3
211.14842	1.7
225.11195	1.5
228.98549	1.4
229.19574	2.5
239.17906	7.1
247.20592	2.6
257.19009	24.1
261.14648	3.6
263.19791	1.2
275.20050	39.7
293.21054	1.8
331.22827	1.6
349.19803	100.0
349.23795	37.0
350.20081	6.4
350.23965	2.3
367.17377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06295	2.2
53.03935	4.3
55.01858	9.1
55.05298	2.4
55.05510	28.4
56.96552	5.8
57.03437	43.3
63.66188	2.7
65.03938	2.5
67.05502	58.8
69.03426	3.7
69.07061	25.2
69.36308	10.0
69.36732	15.2
71.04969	5.1
78.64070	2.3
79.05490	73.2
80.12619	2.3
81.03442	4.2
81.07055	100.0
83.04948	4.9
83.08607	14.1
83.96056	2.1
84.18072	2.3
85.02877	3.8
85.06525	6.3
86.09684	4.4
91.05475	76.5
93.06459	5.0
93.07040	75.0
95.04959	18.7
95.08610	49.2
97.06527	14.5
97.10191	6.5
99.04436	3.4
105.07024	92.2
107.04939	10.1
107.08591	49.9
109.06509	24.1
109.10156	17.4
111.04427	3.3
111.08073	6.5
113.06784	3.0
116.98589	2.8
117.07021	32.6
119.08571	67.1
121.06497	8.3
121.10143	28.6
123.08054	6.9
123.11697	4.0
123.20496	2.5
125.09641	6.5
129.06947	10.4
129.36182	2.7
130.07826	2.6
131.08571	43.2
133.06487	3.3
133.10127	41.1
135.08054	5.9
135.11707	13.0
137.09610	7.3
139.07513	3.6
139.11105	2.9
143.08554	12.6
145.10123	50.0
147.08043	2.9
147.11694	39.5
149.09618	13.1
149.13287	3.8
151.11183	3.4
155.08517	3.9
157.10141	15.7
158.99579	2.5
159.11700	40.7
159.35522	2.5
160.25406	2.6
161.13237	15.7
163.11191	7.8
163.14789	3.0
165.12671	4.0
169.10138	8.1
171.11714	13.6
173.13258	17.4
175.11197	4.8
175.14841	4.3
177.12737	6.9
183.11696	11.2
185.13264	25.5
187.14859	3.7
197.13245	7.3
201.16362	4.6
203.14281	12.7
211.15002	3.0
215.17940	2.8
219.17424	23.8
221.15309	3.4
229.19502	7.9
239.17940	15.7
247.20367	3.2
257.19031	37.1
258.19299	2.7
269.12317	5.5
275.20053	69.7
285.18405	7.9
286.10144	2.8
331.18668	5.7
331.22601	5.7
349.19778	22.7
349.23721	80.8
350.23828	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01876	4.4
55.05515	28.0
56.96566	11.4
57.03437	38.1
57.07064	3.9
67.05504	52.4
69.03430	3.6
69.07065	24.4
70.04102	6.8
70.04488	12.1
79.05490	63.9
81.03403	5.2
81.07057	65.0
81.07519	5.9
83.04958	6.6
83.08615	13.9
85.06535	6.1
88.21407	3.0
90.82507	3.0
91.05471	84.6
92.05814	3.2
93.07043	76.3
95.04968	15.5
95.08607	57.4
97.06530	13.7
97.10154	4.2
105.07032	96.0
107.04977	9.0
107.08590	51.8
108.05492	3.0
109.06525	11.2
109.10165	15.3
111.08069	5.9
115.05437	4.9
117.07021	40.4
119.08572	85.7
121.06509	9.6
121.10195	21.2
123.08051	6.0
125.09613	7.7
128.06233	6.0
129.05545	3.1
129.06978	21.4
131.08572	40.2
133.10132	48.1
135.08057	8.8
135.11703	14.5
137.09656	3.9
141.06955	4.0
142.07784	4.6
143.08551	18.6
145.10117	68.6
147.08034	3.8
147.11700	36.4
149.09625	17.0
149.13292	7.9
155.08621	10.2
157.10126	21.7
159.11694	53.4
161.09549	6.2
161.13239	22.1
163.11220	6.6
165.07292	3.4
169.10132	9.9
171.11697	12.7
173.09624	3.9
173.13234	24.7
175.11191	4.9
175.14845	7.1
177.12666	4.6
180.09431	3.3
183.11713	10.8
183.42490	3.4
185.13245	29.0
187.14771	6.2
197.13252	5.7
203.14313	15.3
211.14838	6.4
215.18027	4.5
218.40399	3.5
219.17352	17.6
229.19508	7.7
239.17932	27.2
241.11101	8.8
257.18985	63.4
259.12216	13.1
275.20044	57.7
281.61966	3.7
285.10144	13.6
303.11111	11.0
331.22720	5.7
349.19849	33.7
349.23779	100.0
350.24362	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29065	2.4
53.03940	4.3
53.50226	2.5
55.01864	7.9
55.05505	20.4
56.96566	55.5
57.03447	14.9
67.05177	2.7
67.05504	35.0
69.03399	4.0
69.07069	16.9
71.60406	4.8
71.95275	6.8
72.96046	3.9
79.05490	28.4
81.07059	39.3
83.04974	10.8
83.08615	4.8
91.05481	24.8
93.07041	34.2
95.04963	10.7
95.08608	25.6
97.06545	5.7
97.10148	5.7
105.07013	29.4
107.04929	10.1
107.08592	22.3
109.06505	11.4
109.10124	8.7
111.08067	3.9
117.06982	11.7
119.08585	18.2
121.06512	16.1
121.10139	10.1
123.01131	3.1
123.08061	13.0
128.98575	3.2
131.08575	21.7
133.10112	27.4
135.08076	4.8
135.11687	8.7
137.09610	4.3
139.70319	2.7
141.02319	4.1
143.08549	4.2
145.06523	2.9
145.10135	23.2
146.99658	4.6
147.08133	4.4
147.11699	17.5
149.09613	7.8
149.13246	5.9
151.11192	7.8
155.03734	3.8
157.01762	4.5
157.10167	6.3
159.08022	4.0
159.11682	11.7
161.09697	3.9
162.88885	2.6
163.11151	6.6
169.10098	3.7
171.03242	4.2
171.11548	5.5
173.09506	3.0
173.13266	7.7
175.11197	3.9
177.12726	4.9
179.14273	6.3
185.04854	5.4
187.02716	3.1
187.11209	4.1
189.04332	5.5
191.14339	6.2
195.06917	3.7
197.13239	3.2
199.06403	6.2
199.14853	3.5
201.12708	7.2
203.05896	6.0
207.13737	5.5
211.06422	7.1
213.08011	9.3
215.17882	4.3
217.07492	8.1
229.07478	6.4
231.09056	12.3
239.09465	4.3
239.17914	6.3
241.07460	4.7
243.09045	5.7
247.08772	3.3
247.20595	5.7
249.54153	2.8
255.08832	3.5
257.10574	4.3
257.19012	18.6
261.10083	4.9
267.09052	12.9
269.10519	19.0
273.10040	7.2
275.20062	100.0
276.93768	2.9
279.12698	3.7
285.10034	17.3
287.11639	10.4
291.12689	7.9
292.12094	3.5
293.21030	6.9
295.12253	3.1
303.10986	3.8
309.13644	9.8
331.15811	14.0
349.16849	39.2
349.23618	21.6
349.27423	5.5
350.17303	3.7
367.17960	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80551	1.2
51.02379	1.2
51.59076	1.2
53.03944	4.9
54.47759	1.2
55.01874	10.0
55.05513	51.1
56.96561	4.6
57.03436	26.4
57.07068	1.3
59.04999	1.8
59.96125	1.2
65.03934	4.0
67.05505	57.7
67.54520	1.3
69.03429	5.0
69.07071	18.2
70.22706	5.6
71.04989	6.0
79.05492	100.0
80.05806	1.6
81.03419	3.5
81.07058	59.8
83.04986	24.7
83.08619	15.2
85.06540	3.4
91.05482	53.3
91.06059	1.6
93.07043	65.3
94.07352	1.8
95.04967	15.2
95.08606	29.4
97.06516	8.0
97.10173	12.8
98.20810	1.4
99.04468	1.4
99.08086	2.1
102.92641	1.4
103.05437	1.9
105.07032	56.0
106.07345	1.6
107.04955	26.3
107.08591	64.2
107.48117	1.2
109.06533	11.8
109.10158	25.7
111.08073	6.1
114.49730	1.2
115.05437	2.7
117.07014	19.0
119.08582	39.2
121.06516	4.9
121.10127	25.8
123.08083	4.0
123.11697	2.6
125.09630	14.8
129.07013	7.6
131.08557	25.9
132.45676	1.3
133.06552	1.5
133.10132	30.7
135.08051	8.6
135.11711	7.7
137.09651	4.2
141.07002	1.4
142.07692	1.6
143.08539	6.4
145.06505	1.7
145.10127	27.2
147.08015	1.6
147.11690	25.7
149.09624	45.6
149.13289	4.5
153.09135	2.2
155.08485	2.7
157.10112	7.2
159.11707	21.0
161.09639	1.8
161.13269	7.1
163.11153	6.3
163.14874	3.0
169.10133	3.5
169.12239	3.5
171.10243	2.5
171.11722	5.1
173.09727	2.0
173.11745	4.8
173.13295	9.4
175.11249	1.6
175.14864	3.2
177.12662	2.0
179.14378	1.6
181.15852	1.4
183.11703	2.9
185.13261	3.7
187.11299	2.6
187.14934	2.2
189.11256	6.2
191.14366	3.6
197.13289	3.4
201.16371	2.1
203.14360	2.1
205.12309	1.5
209.15373	5.1
213.16415	1.6
215.17845	1.5
219.17485	3.8
229.19556	5.2
233.15471	1.4
239.17920	7.0
247.20636	4.2
251.12546	4.6
257.18988	23.1
269.12234	2.2
275.20065	53.7
349.19818	42.7
349.23801	54.3
349.31198	3.4
350.20166	3.2
350.24048	3.3
355.68585	1.7
355.73294	1.5
363.12430	2.8
367.17734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03941	6.3
55.01867	12.5
55.05509	47.4
57.03432	18.5
57.07089	2.6
59.05000	1.4
61.02930	2.7
63.44308	1.2
65.03941	2.3
67.05500	48.7
69.03434	4.5
69.07068	16.4
71.04995	6.0
71.42353	2.6
73.02918	2.7
75.73427	1.3
78.50211	1.5
79.05491	100.0
80.05839	1.7
81.03425	7.4
81.07054	43.8
83.04977	21.5
83.08611	12.8
84.46912	1.4
85.02917	4.3
85.06556	3.8
91.03973	2.2
91.05476	37.4
91.06001	2.4
93.07039	59.4
94.91417	1.7
95.04975	12.7
95.08611	25.2
97.02909	2.7
97.06546	6.0
97.10165	15.9
100.96602	1.4
105.07023	37.4
107.04954	25.8
107.08588	56.5
109.06512	5.1
109.10155	24.1
111.08108	4.7
115.05421	1.7
116.06270	1.6
117.07014	17.7
119.01922	2.9
119.08571	24.0
121.03542	2.1
121.06533	2.8
121.10137	21.9
121.95774	1.4
123.08080	4.4
123.11735	4.4
125.09631	14.6
129.07031	4.9
130.07820	1.8
131.08563	17.7
133.03510	7.3
133.10123	20.0
135.08081	7.3
135.11713	8.5
137.09633	2.9
140.98535	2.3
143.01851	1.8
143.08614	2.3
145.10143	13.5
147.11690	13.5
149.09621	46.6
149.13301	5.0
151.04559	4.8
151.11157	1.3
153.09175	2.0
155.08624	1.7
157.10190	2.7
159.11658	9.4
159.92784	1.5
161.03012	3.5
161.13289	5.9
163.11182	4.2
163.14815	4.3
169.10112	1.9
169.12267	1.8
171.10292	1.9
171.11848	4.4
173.11783	3.9
173.13329	5.6
175.04561	4.5
177.12877	1.9
179.14314	2.5
183.05078	2.0
183.11710	2.6
187.04469	2.3
187.11215	3.4
187.14848	1.7
189.11267	6.3
191.14331	2.4
197.13150	2.4
201.06088	1.8
205.12297	1.6
209.15398	3.3
211.04570	1.9
217.05606	3.3
229.19580	4.3
239.18001	1.7
247.20583	1.9
257.18927	6.7
275.20059	33.3
276.20374	2.2
277.07715	1.7
295.08667	3.3
301.20279	4.8
319.21039	1.6
349.13065	5.8
349.19995	2.6
349.23618	26.3
349.34027	2.3
350.17368	1.7
350.23483	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31356	2.8
53.03944	3.5
55.01873	3.4
55.05501	20.2
56.96563	13.6
57.03433	42.0
65.03917	3.1
67.05507	50.7
69.03427	3.0
69.07070	23.8
69.95002	13.6
72.06629	3.1
74.74314	2.9
79.05058	4.0
79.05498	60.2
81.07056	56.8
83.04983	7.6
83.08617	7.6
85.06551	8.0
91.05481	61.8
93.07043	54.1
94.21837	2.4
95.04986	14.1
95.08610	32.7
97.06503	6.5
97.10156	5.7
99.04436	6.9
99.08102	3.6
99.37370	2.6
105.06309	3.0
105.07027	54.1
107.04954	11.4
107.08597	37.1
109.06494	14.9
109.10165	16.4
110.02309	2.5
111.08060	4.2
117.07041	24.0
119.08589	38.1
121.06496	5.6
121.10118	19.7
123.08082	9.5
123.11741	4.0
125.09613	6.8
129.07004	7.8
131.08566	32.1
133.10144	31.4
135.08040	7.6
135.11699	11.9
137.09636	4.5
143.08537	8.0
145.10135	34.2
147.11676	16.3
149.09621	8.3
153.12695	2.9
157.10165	5.2
159.11716	18.9
161.09596	3.6
161.13200	5.9
163.11153	4.9
166.96617	2.9
169.10100	3.5
171.11678	5.6
173.13263	13.2
174.91940	2.9
177.12785	4.4
183.11737	3.2
185.13142	3.2
185.32620	2.8
197.13399	3.7
201.16386	6.6
203.14297	5.9
219.17433	100.0
220.17668	5.0
229.07635	2.7
235.44031	2.7
239.18031	5.5
257.18896	16.2
275.20065	43.4
331.15665	13.6
332.27628	2.8
349.16626	14.2
349.20361	3.4
349.23688	55.0
360.94983	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01869	1.5
55.05515	9.8
56.53710	1.0
57.03437	35.7
57.07079	1.5
59.05026	1.2
61.02935	1.5
62.96082	0.9
63.30285	1.1
65.03940	1.6
67.05501	32.0
69.03442	1.6
69.07073	7.8
70.66048	1.8
70.66420	2.2
71.04984	1.2
76.68045	0.9
79.05494	28.0
81.03448	1.2
81.07056	29.7
83.04980	1.9
83.08612	4.4
84.74445	1.1
85.06534	9.0
85.96253	1.0
90.74889	0.9
91.05482	40.7
93.07043	34.3
95.04974	5.3
95.08606	19.5
97.02888	1.6
97.06525	2.7
97.10188	1.9
99.04476	6.3
99.08123	1.8
105.07026	24.2
106.57394	1.0
107.04978	2.6
107.08594	16.9
109.06524	11.2
109.10159	8.7
111.08096	2.7
115.05390	1.1
117.07017	14.3
119.08584	27.2
121.06502	1.9
121.10141	10.3
123.08057	3.3
123.11707	2.1
125.09698	1.2
129.07030	5.6
129.92847	1.3
131.08574	20.6
133.03427	2.1
133.10135	16.3
135.08038	3.5
135.11667	8.6
136.19269	1.1
137.09645	3.0
141.07030	1.0
143.08592	4.3
145.10106	10.9
146.10466	1.3
147.11702	6.4
149.09605	2.6
149.13263	1.7
151.04536	1.5
151.11165	1.3
153.12796	2.4
155.08595	1.6
157.10129	2.3
159.11676	7.4
161.03008	2.5
161.09662	1.2
161.13255	3.5
163.11267	1.5
171.11801	3.2
173.13258	4.1
175.04642	1.0
175.14795	3.0
177.12660	1.2
183.11702	1.7
185.13263	3.8
187.11314	1.4
191.14340	1.2
197.13295	1.2
201.16414	5.5
203.14378	2.3
209.13293	1.4
219.17436	100.0
220.17802	3.0
257.18939	2.9
263.18176	1.1
275.20062	13.9
301.20013	2.2
346.51236	1.1
349.19962	6.1
349.23746	13.2
351.44577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01871	10.5
55.05510	48.9
56.96553	5.2
57.03435	16.1
57.07061	1.9
59.04985	1.3
65.03932	4.1
67.05505	50.0
67.05872	2.5
69.03423	3.8
69.07072	16.0
70.82113	2.3
71.04998	7.0
71.95278	1.4
79.05492	100.0
79.19818	1.1
81.03407	5.4
81.07055	45.5
83.04977	28.8
83.08624	11.3
85.06564	2.8
91.05476	45.3
93.03408	1.3
93.07043	64.3
95.04969	13.9
95.08602	19.7
97.06523	5.1
97.10169	16.2
98.21413	1.4
103.05442	1.4
105.04501	1.6
105.07030	39.6
107.04957	28.8
107.08592	60.2
109.06549	6.9
109.10158	22.7
111.08059	5.8
115.05443	1.3
117.07014	15.2
119.08577	25.4
121.06499	3.7
121.10150	20.9
123.08041	3.1
123.11703	4.3
125.05918	1.4
125.08842	1.7
125.09637	13.9
129.06952	2.2
131.08572	15.6
133.10132	21.9
135.08055	8.5
135.11685	7.1
137.09578	2.4
143.08559	2.1
145.10121	12.6
147.08031	1.6
147.11700	13.8
149.09619	52.9
149.13249	3.5
153.09108	3.0
155.10667	1.4
157.10106	3.0
159.11674	10.0
161.13246	4.9
163.11191	3.8
163.14771	3.7
169.10083	2.0
169.12302	3.7
171.10255	1.5
171.11845	2.5
173.11719	4.0
173.13251	6.3
175.14827	1.8
177.12785	1.5
179.14221	1.9
183.11642	1.6
187.11226	2.3
187.14758	1.4
189.11238	7.0
189.12697	1.5
191.14304	3.6
197.13243	2.4
201.12709	1.4
209.15367	5.2
215.14333	1.3
229.19481	5.0
231.09210	1.4
239.18037	2.0
247.08556	1.3
247.20575	4.8
257.19012	7.6
267.09210	1.2
275.20062	37.6
276.20325	1.8
331.15707	5.2
349.16858	9.4
349.23666	34.2
367.18073	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01805	0.6
55.05497	0.8
56.96553	0.9
58.47914	0.6
58.66066	0.5
62.06077	0.6
62.49766	0.5
63.54839	0.5
67.05487	1.4
69.07050	1.2
70.43576	0.5
71.48874	0.7
71.59725	1.2
79.05503	1.0
81.07047	1.9
91.05452	0.6
93.07048	2.1
95.04980	0.7
95.08599	1.3
105.07023	1.5
107.08562	1.4
109.06499	1.7
119.08520	0.6
121.10162	0.7
122.01295	0.6
123.08041	2.7
135.85086	0.7
140.03676	0.7
149.02344	1.3
172.95255	1.9
179.14351	4.8
190.01120	1.3
190.96346	0.7
199.01619	1.1
232.41716	0.5
259.23172	0.6
349.23508	100.0
349.27243	6.5
350.23828	5.3
350.63574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15945	0.4
52.11666	0.5
55.05500	0.9
57.07071	0.8
61.83586	0.5
67.05495	1.1
69.07058	1.1
71.24871	1.2
79.05493	1.0
81.07043	1.9
88.11247	1.1
91.05445	0.7
93.07030	1.5
95.08616	1.2
105.07030	1.4
107.04948	0.8
107.08569	1.2
109.06511	1.2
109.10168	0.9
113.00039	0.8
119.08596	0.7
123.08083	2.9
133.10100	1.0
137.09644	0.6
163.11339	0.5
169.02657	0.8
172.95242	0.6
173.05249	0.5
179.14305	4.2
186.96820	0.6
209.11589	0.9
220.95291	0.5
235.13100	0.7
236.16489	1.2
237.16762	1.3
247.12877	0.5
249.14578	0.5
258.59021	0.5
275.20029	0.7
275.50229	0.4
293.23102	1.8
349.23495	100.0
349.27185	5.8
350.23761	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
59.54755	0.6
67.05519	1.0
69.07059	0.9
71.60963	0.9
76.49307	0.5
79.05480	1.0
81.07049	1.4
88.59834	0.6
91.28255	0.6
93.07063	0.8
93.96132	0.5
95.08639	1.3
105.07067	1.1
107.08606	1.2
109.06528	1.0
123.08080	1.5
131.08537	0.7
135.11745	0.6
165.65112	0.6
169.02586	0.7
179.14311	3.0
192.29617	0.6
235.13121	0.7
259.31052	0.6
275.19974	0.6
349.23505	100.0
349.27002	4.4
350.23776	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	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01860	2.8
55.05505	6.6
56.96553	2.6
57.03430	1.6
57.03702	1.2
64.14353	1.2
67.05505	8.0
69.03428	11.2
69.07053	3.9
69.53648	5.8
69.54085	4.8
79.05486	9.8
81.03415	2.1
81.07060	13.3
83.04989	6.7
85.02915	2.7
85.06561	1.4
91.05481	10.5
93.07027	12.1
95.04966	4.9
95.08591	11.6
97.02879	8.4
98.97611	1.4
105.07029	21.2
107.04935	7.1
107.08594	15.2
109.06516	4.5
109.10146	3.8
111.04467	2.9
111.08087	4.9
117.07015	5.6
119.08586	32.3
121.06494	2.8
121.10117	11.4
123.08087	7.2
123.11684	3.2
125.09628	100.0
128.06203	3.1
129.06992	3.4
130.07707	2.1
131.08560	3.8
133.06474	1.5
133.10127	23.3
134.99664	2.1
135.08038	2.6
135.11699	2.7
137.09621	4.6
141.07031	1.9
142.07788	4.3
143.08557	8.2
145.10117	11.5
146.07323	1.6
147.08034	13.0
147.11636	3.4
155.08566	4.1
156.09370	2.2
157.10092	6.1
158.07251	2.1
159.08028	6.0
159.11682	3.7
161.09631	11.5
163.11284	2.1
165.06995	1.8
165.09117	15.2
166.07803	2.5
167.08665	1.7
171.08054	3.5
171.11739	4.3
172.08878	2.3
173.09612	10.7
173.13188	1.8
174.10406	2.1
177.09004	1.6
179.10689	14.3
181.10118	3.7
183.11580	1.4
184.08722	2.6
185.09613	7.2
189.09111	11.7
197.13231	2.7
199.11128	10.8
207.10181	15.7
209.09625	3.2
225.11232	15.4
227.10667	8.8
229.19672	1.5
239.17963	2.4
245.11734	10.5
255.36855	1.5
257.18988	2.4
263.12823	4.1
285.18518	4.8
289.18036	1.5
303.19714	1.7
313.17957	2.1
331.19086	3.2
349.12772	10.9
349.22601	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
55.01853	0.6
55.05503	1.2
55.78249	0.4
56.96550	1.0
57.03440	0.9
67.05499	2.1
69.07055	1.4
70.12363	1.0
70.12760	0.8
73.52434	0.5
79.05491	2.0
81.07055	3.3
83.04964	0.5
83.08573	0.5
91.05476	2.3
93.07040	1.9
95.08591	2.1
96.08139	2.3
97.06543	0.7
105.07037	2.0
107.08584	2.1
109.06583	0.8
109.10149	0.7
112.07582	0.6
117.07044	0.6
119.08569	1.9
119.56440	0.5
121.10146	0.7
123.08151	0.5
129.07060	0.4
131.08575	1.5
133.10152	1.2
135.07994	0.6
137.05780	1.1
145.10121	1.7
147.11691	1.2
159.11700	1.2
171.11761	0.5
173.13339	0.8
217.07613	0.5
221.11369	1.3
225.11011	2.2
227.65678	0.5
235.13187	0.6
253.12865	2.3
257.19052	1.2
261.14633	3.2
271.13995	2.0
275.20081	1.4
349.19861	100.0
350.19983	4.6
350.23151	0.5
350.59836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01868	2.2
55.05511	5.6
56.52789	0.8
56.96562	2.9
57.03437	3.8
66.29473	0.8
67.05498	12.3
69.07070	7.3
70.37511	3.3
71.04990	1.7
77.00881	1.5
79.05061	1.2
79.05489	13.1
81.03409	1.4
81.07053	17.0
83.04973	2.4
83.08615	2.5
87.17706	0.7
91.05473	11.8
93.07039	15.3
95.01907	1.2
95.04975	3.7
95.08595	10.3
97.06528	3.1
97.10173	2.1
98.20806	1.1
99.08101	1.1
104.41003	0.8
105.07022	13.8
107.04982	2.5
107.08588	10.0
109.06538	3.7
109.10163	3.7
111.08071	1.2
117.07040	4.4
119.08569	12.1
121.06488	1.5
121.10146	4.3
123.08055	1.6
123.11731	1.6
125.09676	1.1
129.06926	1.3
131.08533	7.5
133.06445	1.1
133.10107	9.3
135.08124	1.9
135.11703	3.0
135.39845	0.8
137.09630	2.0
143.08546	2.5
145.10107	11.5
147.11685	5.1
149.09648	3.9
149.13263	2.0
151.11221	1.2
155.08583	1.5
157.10149	2.6
159.11682	6.5
161.13258	2.4
163.11150	2.1
169.10187	2.1
171.11693	3.0
173.13297	3.4
174.23682	0.8
175.11186	1.0
179.14299	1.0
183.11703	2.1
185.13368	1.1
187.11108	1.2
213.09853	0.9
215.11302	0.9
219.10828	0.9
229.19621	1.0
239.11308	0.9
239.17996	2.5
247.20544	1.7
257.12411	2.2
257.19003	9.1
267.09262	1.1
269.12399	1.8
275.20071	12.9
293.21201	1.1
331.18082	2.5
349.19910	100.0
349.23837	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.43544	0.4
55.05506	1.5
56.96568	0.8
67.05499	2.0
69.07063	0.8
70.19090	2.1
79.05495	2.5
81.07085	2.4
83.08608	0.8
91.05472	1.6
93.07050	1.8
95.08606	1.8
97.06547	0.6
105.07015	1.3
105.27644	0.4
107.08585	1.4
109.06515	1.1
109.10195	0.7
119.08585	1.1
121.10147	0.8
123.08078	1.2
128.12329	0.5
131.08582	1.0
133.10152	1.2
135.08047	0.7
147.11671	0.6
149.09651	0.8
159.11684	0.5
172.95204	0.6
179.14322	2.2
228.97853	0.4
257.19235	0.6
260.13989	0.5
269.62167	0.5
272.95602	0.4
275.20081	2.5
306.27994	0.6
331.51532	0.5
349.19861	100.0
349.23096	4.0
349.34000	1.1
350.20099	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70423	0.7
55.05510	4.8
56.96566	4.5
57.03422	2.4
58.74760	0.7
67.05512	5.6
69.03423	1.4
69.07067	2.1
79.05508	6.1
81.07061	7.6
83.04931	0.9
83.08614	2.8
91.05484	5.0
93.07058	6.3
95.01959	0.8
95.04946	1.7
95.08604	5.2
97.10190	1.2
98.20701	1.5
105.07024	5.8
105.84645	0.8
107.04954	1.2
107.08582	4.2
109.06491	1.0
109.10152	2.6
111.08067	1.1
117.07026	2.0
119.08622	4.1
119.27979	0.9
121.06527	1.2
121.10154	3.3
123.08039	1.3
123.11723	1.0
129.07010	0.9
131.08565	3.1
133.10143	3.5
135.08038	1.3
135.11697	1.8
137.05748	2.4
143.01913	1.3
145.10141	2.8
147.11726	2.2
149.13304	1.0
151.11264	1.0
157.10191	1.2
159.11693	2.6
161.13268	1.3
163.11217	0.9
171.11740	1.5
173.13335	1.0
189.11240	1.3
190.64272	0.8
221.11514	1.2
229.19664	0.9
235.12996	1.1
239.18051	1.0
255.09119	1.1
257.18979	3.5
259.08505	1.0
269.10574	1.4
271.14020	1.2
273.10120	0.9
275.20053	7.8
285.10080	1.2
287.11880	0.9
293.21268	1.4
303.11243	1.0
331.15787	1.2
349.19901	100.0
349.23578	6.3
350.20035	4.1
367.18109	1.3
369.19693	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01857	1.5
55.05494	3.2
56.96566	59.9
57.03424	3.3
67.05495	8.1
69.07045	3.3
70.65584	2.3
71.04968	0.8
71.95259	6.2
72.96050	1.8
74.97594	1.7
79.05486	7.6
81.07059	8.8
83.08604	1.6
83.17688	0.7
84.96018	2.9
85.06530	1.2
91.05485	8.4
93.07061	6.5
94.99124	0.9
95.04933	1.4
95.08607	5.1
97.10160	1.1
97.96807	1.4
98.97594	1.5
105.00164	1.5
105.07019	7.8
107.04957	1.6
107.08602	6.5
109.06509	2.2
109.10155	2.3
110.97556	1.8
111.08052	1.1
115.97819	0.9
117.07014	2.5
119.08606	5.0
121.10128	2.0
123.01214	3.8
123.08070	1.5
123.11633	1.1
125.09564	1.0
125.15227	0.7
128.98592	6.6
129.07014	1.3
131.00087	1.2
131.08556	5.0
133.10124	4.8
135.07986	0.7
137.02773	0.9
141.02171	1.7
143.08560	1.5
145.10139	4.9
146.99657	8.3
147.03258	1.9
147.11667	3.1
149.09608	1.3
151.00632	1.0
152.38107	0.8
155.03807	2.9
157.01740	1.4
159.03223	1.0
159.11661	2.4
161.01102	0.9
161.13251	0.9
162.46123	0.7
165.00699	1.5
167.03714	1.4
169.01688	3.3
169.05368	1.2
171.03273	2.3
171.11694	0.7
173.04861	1.3
173.13275	1.2
175.02795	1.0
177.04245	1.2
179.03807	0.8
179.14268	0.7
181.05394	0.8
183.03275	1.6
185.04811	2.2
185.13287	0.9
187.01213	0.7
187.02806	4.1
189.04349	2.1
191.03859	1.1
191.14371	0.7
195.03320	1.1
195.06911	1.3
197.04904	1.0
199.06390	3.7
201.06035	0.9
203.05862	2.9
203.07497	1.5
207.06947	1.5
209.04869	1.2
209.06718	0.9
211.06361	2.2
213.07961	1.8
215.05818	0.9
217.05461	1.2
217.07280	4.4
219.10826	0.8
219.15691	0.8
219.17476	6.8
221.08511	1.7
223.06349	0.9
225.08008	2.8
229.07339	1.8
231.06998	0.9
231.08989	3.0
233.08440	1.1
235.06371	1.6
237.07895	1.4
239.09435	1.9
239.17920	1.3
243.08983	1.5
247.10133	1.1
247.20348	0.8
249.08081	1.3
251.09448	2.0
253.11197	1.5
255.08980	1.1
257.18961	4.1
259.10095	3.4
261.11652	1.4
263.09586	6.2
265.11029	3.9
269.10626	1.1
273.10080	0.8
275.09491	2.5
275.20081	6.0
277.11108	23.2
278.11282	0.9
279.12704	8.4
281.10489	4.4
283.12180	3.3
284.35934	0.8
289.10947	1.6
291.12592	3.9
293.10614	1.4
293.14191	0.8
295.12164	11.8
297.13705	7.0
299.11633	2.6
300.12692	1.3
302.14130	1.1
303.16043	0.9
307.12100	3.5
307.15494	1.4
309.13705	3.0
313.14572	1.4
318.14224	1.1
325.13269	1.1
329.14294	1.0
331.15784	53.7
332.15912	3.1
349.16803	100.0
349.23752	9.5
350.17053	5.6
367.17932	13.7
368.18115	0.9
372.18439	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	349.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24141	1.4
55.01859	2.0
56.96560	4.7
67.82397	1.3
69.03434	2.7
69.07099	1.7
70.06579	4.5
71.60486	2.9
79.05488	2.2
81.07050	2.9
83.08607	1.7
84.08135	5.5
85.02892	3.6
86.09702	2.8
91.05475	3.7
93.06996	1.7
94.06581	4.6
95.04972	1.8
95.08610	2.5
97.02876	3.9
97.06529	1.5
98.97581	4.5
101.06006	1.6
105.07059	3.3
106.06556	6.9
107.08712	1.4
108.04443	1.5
109.02901	2.3
109.24581	1.3
110.06046	3.1
116.98650	4.2
118.06551	1.6
119.08575	2.0
120.08096	9.5
121.10156	1.5
127.03959	2.0
129.10251	3.3
131.08650	1.6
134.05995	5.9
134.99696	2.1
137.02921	1.8
142.07732	1.6
145.10126	2.3
146.99762	1.9
148.07594	1.8
149.05934	1.4
152.07094	5.0
160.07599	2.8
170.09683	4.9
171.09161	1.6
171.10483	2.3
172.09891	3.0
174.09123	1.8
177.00729	2.1
184.09993	1.5
187.12242	9.0
188.39665	1.6
197.08430	2.3
197.10725	3.0
198.09126	6.9
199.08665	10.8
200.09421	6.7
201.10323	5.7
213.10242	6.5
214.11018	7.7
215.11836	23.3
216.10263	2.1
217.30562	1.7
225.10167	3.4
226.08717	2.5
227.08159	3.6
228.12604	2.2
229.09731	2.6
237.02859	2.0
239.11691	2.2
240.10233	2.2
241.09731	5.0
242.10474	3.5
243.11287	100.0
256.12054	3.8
257.12799	3.6
259.10925	2.1
261.12344	1.8
267.11230	2.6
269.12878	8.1
271.10757	43.4
275.13687	1.5
285.12323	42.2
286.12723	2.4
289.11746	1.9
303.13385	66.7
304.13895	2.4
307.10718	5.4
313.11819	50.1
331.12860	18.5
349.11212	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1394
Annotation	Achillamide
Peak:m/z	Relative Intensity
51.87671	2.9
53.03925	4.0
55.01870	4.9
55.05494	11.8
56.35297	3.1
56.96548	8.7
57.03451	2.8
59.04983	5.3
62.46575	2.6
66.92118	3.1
67.05492	6.1
67.87817	2.7
69.03428	16.7
71.06942	8.8
73.02882	3.0
79.05489	8.6
80.05008	5.6
81.03404	8.6
81.07052	6.6
83.08608	21.0
85.02899	14.5
86.09679	6.7
91.05458	9.6
93.07027	6.3
94.06555	9.6
95.04942	6.7
95.08568	3.4
97.02884	9.7
97.06496	4.8
98.06025	10.9
98.97575	4.9
99.04444	4.1
101.09668	4.5
105.07011	6.1
106.06519	8.2
108.04469	100.0
109.02875	6.6
109.06526	4.2
109.10146	4.2
110.06028	4.6
110.07198	3.0
111.04418	4.1
112.07619	3.7
119.08468	4.1
121.06521	5.2
121.10152	4.3
122.06034	21.6
124.99020	2.9
126.86118	3.0
127.03919	10.8
127.51256	3.0
129.09094	4.5
131.08485	4.8
134.06021	4.1
134.99661	6.1
136.06110	3.2
136.07553	6.6
140.07031	15.5
141.01772	4.1
145.04898	3.3
150.05499	15.1
151.03766	3.1
152.07101	5.0
159.07971	3.2
160.07452	4.4
164.07036	16.2
168.06555	91.1
170.09662	7.9
172.07515	4.3
178.36760	2.7
182.08145	76.9
184.07549	5.8
185.10777	3.9
186.09081	5.3
187.12254	8.7
197.10773	7.2
198.09187	14.5
199.08640	9.4
200.09261	5.8
200.10881	4.5
201.10185	11.9
202.10791	3.9
211.08704	3.2
212.09436	8.6
213.10223	28.4
214.10924	8.1
215.08154	3.6
215.11824	17.4
216.10376	3.4
225.10211	13.9
226.08603	12.5
227.08708	3.6
227.11697	6.7
227.38934	3.5
229.09650	7.1
239.11852	5.5
240.08533	3.6
240.10452	4.8
241.09624	11.3
242.10414	4.4
243.11288	67.6
244.09642	15.1
245.10516	3.4
247.10646	3.4
253.09782	8.7
254.08080	4.2
254.10367	7.1
255.11192	7.3
258.11188	8.7
261.12341	13.9
267.11343	6.0
268.09729	8.3
269.12784	7.4
271.10745	44.2
272.08994	5.0
272.11520	35.5
273.12329	16.6
281.05368	4.1
285.12335	24.7
286.10703	10.0
287.13910	3.6
289.11829	34.3
301.11761	3.6
303.13345	68.1
304.11682	15.5
313.11765	23.8
321.14365	13.2
331.12857	45.0
349.13928	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85691	9.2
66.93349	8.4
70.06586	12.0
71.58179	13.5
71.58582	12.3
72.08149	11.8
74.06035	9.4
82.41939	8.3
84.04483	11.7
84.91261	8.7
86.10494	8.0
86.72342	8.9
98.43057	8.6
101.00890	11.5
102.04028	8.8
113.00909	11.1
119.01910	63.3
131.01917	42.7
136.04543	18.0
136.06210	22.8
140.10762	9.6
141.05057	17.6
143.06664	8.7
149.02928	16.1
157.81938	8.9
159.06181	23.1
161.02997	18.3
161.07710	26.4
168.99825	10.9
172.48329	9.2
173.03029	21.0
175.11903	9.3
187.00911	23.8
187.05684	63.2
195.03644	8.3
196.04535	12.5
196.99358	9.5
199.00816	10.6
201.02507	12.2
205.06670	59.0
215.00366	38.0
229.01941	23.5
229.06673	98.1
239.37514	10.7
241.06650	78.4
247.03133	56.6
259.03024	19.3
349.08829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.03931	0.5
54.86963	0.4
55.01852	0.4
55.05500	0.9
56.05030	0.4
56.96567	1.0
69.03419	1.2
70.06587	1.2
71.00291	0.9
71.00610	0.4
72.08144	0.5
74.06066	0.5
76.38069	0.4
77.00909	1.0
81.03399	1.1
81.07069	0.5
83.04998	0.7
84.04527	0.5
84.08154	2.1
85.02907	1.4
86.09694	1.0
91.05471	0.9
95.01919	0.9
97.02892	0.9
99.08107	0.8
100.07601	0.5
102.05438	0.4
105.41164	0.4
109.02896	0.8
109.10181	0.4
117.80777	0.4
119.01929	1.3
119.04948	1.5
127.03929	1.7
129.10207	1.3
131.01910	1.7
131.04941	1.4
133.06442	0.5
134.99628	0.5
137.02837	0.5
145.03476	0.9
145.09842	0.4
147.04408	5.4
149.02910	0.5
153.12691	0.4
155.01884	1.0
161.06001	1.2
171.04387	0.6
173.02950	1.2
185.04227	1.0
187.03667	2.3
189.05441	4.0
205.03387	0.8
213.10196	0.4
215.43716	0.5
223.04448	1.5
229.03471	1.1
231.05067	0.6
241.05638	0.6
247.04585	5.9
259.04434	0.9
265.05591	5.7
277.05563	0.7
283.06689	1.2
289.05527	2.3
295.06747	1.0
301.05557	0.6
307.06641	3.3
319.06470	0.6
325.07446	1.1
330.08453	0.5
349.08929	100.0
350.09448	1.0
367.08609	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01868	12.5
55.05511	48.3
56.96556	14.8
57.03430	26.6
60.04494	7.6
65.03923	4.8
67.05167	6.6
67.05502	100.0
69.03427	8.8
69.07063	38.5
71.04978	9.8
71.08627	12.4
71.60020	7.1
76.77489	4.3
79.05061	4.9
79.05495	73.8
81.03426	5.6
81.07059	86.1
82.07323	4.4
83.04965	9.4
83.08627	26.3
85.06512	8.4
91.05482	62.4
93.07041	60.3
95.04969	17.1
95.08602	44.5
97.06532	17.4
97.10165	19.8
99.08051	7.4
105.07031	57.2
107.04952	12.2
107.08575	60.2
109.06509	16.9
109.10155	52.5
111.08079	7.2
114.08585	4.3
117.07013	17.0
119.08587	42.2
121.06519	7.2
121.10136	25.4
123.08082	11.6
123.11668	5.0
125.09649	12.8
129.07024	7.3
131.08563	27.1
133.10133	32.1
135.08026	7.9
135.11674	13.3
136.06148	11.9
137.09625	5.6
141.06950	5.9
143.08551	11.8
145.06487	4.9
145.10120	33.8
147.11653	27.8
149.09621	11.1
149.13235	14.1
151.11223	12.1
155.10692	10.4
157.10165	6.7
159.11714	22.2
161.13223	12.3
163.11221	8.6
165.12692	6.1
171.11745	7.7
173.11772	82.4
173.13269	12.3
175.11263	5.3
175.14850	6.0
177.12856	7.0
179.14320	10.2
183.11607	6.1
185.04851	4.7
185.13246	7.6
187.14735	4.7
189.11224	16.9
193.12183	4.5
195.13835	27.7
213.14886	17.0
239.17761	10.4
257.19012	29.2
269.12451	6.0
275.20041	45.6
277.21600	27.1
285.10236	6.1
295.22824	6.7
325.66595	7.6
338.04626	5.7
347.67908	21.0
348.18292	15.5
348.22513	4.6
348.27454	4.9
349.19754	46.6
349.23795	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	348.1766
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
55.04429	1.6
56.05039	9.9
56.71644	1.6
56.96568	2.6
57.03431	3.7
57.62226	1.8
58.06594	5.6
60.04517	9.5
69.03430	6.9
69.07058	7.3
69.20165	1.6
70.02960	4.9
71.51910	2.9
74.06084	42.4
81.03395	1.6
82.06579	6.2
84.04501	37.2
85.02904	12.9
86.06069	1.9
86.09706	100.0
88.03993	22.5
90.94810	2.0
97.02885	6.8
98.02407	1.8
98.06068	4.8
98.97588	4.2
98.98557	1.9
100.07625	12.1
101.07167	2.3
102.05552	5.2
110.06039	2.4
111.05585	4.7
112.03951	3.3
112.11277	2.0
114.15262	1.8
116.98587	2.6
118.96167	1.6
122.05979	1.8
123.04440	4.0
123.53642	1.8
126.05516	50.2
127.03864	3.0
129.06589	13.5
132.10197	45.5
132.11160	3.1
136.03940	1.9
136.06172	19.7
141.13829	3.3
144.06555	89.8
145.04980	3.7
153.06621	2.2
154.04994	9.1
165.10497	1.9
169.13416	4.1
170.09276	4.6
171.07617	16.6
177.00636	2.0
187.14474	4.2
189.08702	85.6
197.12912	5.9
198.08821	1.9
199.07126	8.9
201.12434	1.8
215.13983	3.6
217.08183	56.5
219.01775	2.7
219.13503	2.6
226.97456	1.6
233.14925	7.8
237.02872	3.4
243.13420	3.7
266.14886	2.7
268.06827	2.0
284.16000	9.3
330.16605	14.4
348.17392	2.8
349.09015	13.2
349.14786	3.9
355.06989	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0704
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
53.13704	0.2
54.29962	0.2
56.92769	0.2
56.96565	0.2
57.03426	0.5
69.03427	1.1
69.96449	1.1
74.06077	0.3
84.04488	0.7
84.08127	0.2
85.02905	5.0
86.09695	1.7
88.03975	0.2
94.04049	0.5
97.02889	2.1
98.97552	0.2
98.98466	2.3
101.47300	0.2
115.03905	0.4
119.03532	1.3
123.04424	0.7
126.05496	0.7
132.10243	0.5
136.06183	100.0
137.00014	0.3
137.04576	0.8
137.06491	0.8
138.10661	0.2
144.06592	0.6
151.03929	0.4
164.99467	1.9
169.04941	0.5
189.08722	0.9
213.01628	0.7
215.13995	0.2
217.08315	0.3
229.32146	0.2
262.55804	0.2
316.96252	0.2
324.98984	0.2
330.05930	0.4
348.07037	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	348.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05481	0.2
56.05027	0.5
56.96558	1.5
57.03428	1.0
61.02928	1.3
67.05467	0.3
69.03410	0.9
70.06573	0.9
70.98129	0.3
71.01353	0.2
72.08139	0.7
73.02898	0.6
74.06080	0.3
74.97578	0.3
81.03379	0.3
83.61611	0.2
84.04501	0.5
84.08128	0.9
85.02891	0.9
86.09708	0.6
87.04500	0.2
88.99154	0.3
90.55553	0.2
94.06573	0.5
97.02888	6.9
98.03242	0.3
98.97569	1.3
98.98482	0.3
106.06561	0.3
108.08103	0.4
109.02845	0.2
110.05986	0.3
111.47047	0.2
113.03489	2.9
115.03918	0.3
116.98621	0.7
119.01889	0.5
119.03564	0.4
122.06046	1.3
123.06779	1.1
124.07612	0.6
126.05517	0.3
127.03920	0.3
128.98546	0.3
129.10277	0.4
132.10208	0.4
133.04968	0.5
136.06178	100.0
137.04588	0.9
137.06551	1.1
138.05495	3.2
140.06996	0.2
141.01257	0.3
142.02020	0.2
146.99683	0.6
150.05482	2.6
151.06271	1.3
152.07056	0.9
152.69508	0.2
158.99666	0.4
165.00703	0.6
168.06558	3.2
173.12839	0.6
177.00722	0.3
186.07713	0.4
187.00304	0.4
190.98610	0.4
191.02213	0.3
193.00243	0.3
201.12265	0.4
205.01564	0.4
214.02132	0.3
219.01642	0.4
220.99887	0.2
226.02443	0.3
235.02881	0.7
247.02910	0.4
259.02579	0.4
259.06296	0.3
330.11923	0.3
346.17245	0.3
348.06973	4.5
348.12866	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85495	1.0
55.05503	2.9
57.07064	3.2
61.34325	1.1
69.33510	1.2
70.06590	1.7
71.59512	1.7
71.59924	1.4
81.07072	1.6
82.68128	1.1
83.08623	2.4
95.08595	2.4
100.17684	1.3
105.07030	2.1
117.92912	1.1
119.08555	2.6
131.08531	1.1
136.06218	2.0
149.02315	2.3
164.51747	1.1
170.21024	1.2
193.05019	3.3
209.11461	2.1
221.11459	1.4
224.65588	6.4
244.12253	1.4
256.26395	1.4
322.95193	1.3
326.86499	1.2
347.17816	3.5
347.21909	100.0
348.22235	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	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.38657	0.8
54.73351	1.0
56.05006	0.9
57.07058	1.4
61.74970	0.8
67.05492	1.2
69.64858	3.2
69.65286	3.7
70.45781	0.9
79.05496	1.0
81.07024	1.7
88.07620	2.7
93.06975	1.2
100.96491	0.9
107.08544	1.5
108.70436	0.9
109.10107	1.5
121.10097	1.5
135.08063	4.1
147.11673	0.9
177.12766	1.2
190.99306	1.1
193.04959	2.0
231.07399	1.1
235.12978	1.3
248.80626	0.9
249.14467	1.8
299.31375	4.4
347.21933	100.0
347.33435	13.5
348.22281	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01870	4.3
55.05513	12.5
56.96553	3.5
57.03431	4.0
57.07082	3.4
59.04988	3.8
65.03947	1.9
67.05503	14.6
69.03432	7.0
69.07069	6.9
69.28634	19.6
74.50873	1.5
79.05490	20.8
81.03428	3.3
81.07057	32.3
83.04983	10.2
83.08620	2.2
85.06540	3.8
90.13287	1.8
91.05482	27.1
93.07040	49.0
95.04968	19.1
95.08601	12.0
97.06522	11.5
101.06041	2.5
105.07024	32.2
107.04961	2.4
107.08590	42.6
109.06516	20.0
109.10139	18.5
111.08086	4.2
116.06212	3.1
117.07031	5.8
119.08579	15.4
121.06503	20.9
121.10147	25.9
123.08067	38.3
123.11662	2.6
125.06002	17.5
129.06970	6.3
130.07829	1.9
131.08575	20.6
133.06497	8.5
133.10159	12.7
135.08051	7.2
135.11655	2.5
136.06195	3.9
137.05977	2.9
137.09625	8.0
139.07556	6.9
141.07022	1.7
143.08559	5.1
145.06464	2.6
145.10123	9.7
147.08055	6.2
147.11678	5.4
149.09612	35.2
151.07542	100.0
153.09140	2.1
155.08578	1.9
156.09351	2.7
157.10150	8.0
159.08058	4.2
159.11700	4.7
161.09639	6.7
163.11208	2.8
165.09158	3.0
167.07037	3.9
167.10684	27.2
170.10960	2.1
171.11751	5.5
173.09637	5.8
173.13277	6.1
175.11191	4.4
177.09155	11.3
179.10706	2.1
181.08603	3.4
183.11668	2.8
184.64085	1.8
185.13200	2.2
187.11162	4.1
189.12750	38.6
191.10667	2.4
191.14354	4.4
197.13264	4.0
199.14838	3.0
201.12770	2.1
203.14308	2.3
207.13808	51.4
207.15732	3.3
211.11256	2.0
211.14955	1.9
213.12756	2.5
213.16382	1.9
215.14372	5.8
217.12231	2.6
219.13734	2.1
221.15431	4.4
233.15399	7.3
237.14833	15.3
243.13712	2.9
255.13770	3.3
271.17188	1.9
273.14859	7.5
275.27747	6.2
289.17935	2.2
291.16006	3.8
293.11240	2.0
311.20044	3.6
329.21149	16.1
329.24774	3.0
347.18246	85.8
347.22235	90.3
348.18359	5.6
348.22339	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.16269	0.6
56.96554	2.2
62.34189	0.6
66.78784	0.5
67.05500	1.1
70.06590	0.8
70.20193	2.7
81.07043	1.6
84.49715	0.6
88.07647	0.9
93.07031	1.2
95.04993	0.7
95.08623	0.9
107.08596	1.0
109.10169	0.7
119.08572	1.5
131.55333	0.6
136.06206	0.8
137.05989	0.8
175.11488	0.7
256.57132	0.7
261.14606	4.4
285.29825	1.6
315.93860	0.7
347.21930	100.0
347.33276	5.2
348.22177	3.9
348.25958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05491	0.6
56.96563	2.5
57.03427	0.6
57.07083	2.5
61.02924	0.7
67.05495	1.0
69.03426	0.7
69.07051	0.9
70.01218	2.2
71.08601	1.3
73.02901	1.4
79.65012	0.5
81.07047	1.5
85.02888	0.7
85.10165	0.9
87.17709	0.4
91.05466	0.8
95.08595	1.3
97.02891	1.1
98.20808	0.7
98.97577	1.5
105.06998	0.6
112.99979	1.1
116.98604	1.4
118.02861	0.9
119.01795	0.7
131.00136	1.4
134.99583	0.6
135.07983	0.6
136.06140	1.2
147.03082	0.9
149.01270	3.6
149.02315	0.9
156.03606	5.1
167.02272	2.0
167.54401	1.0
169.02733	0.9
177.00720	0.9
191.02277	0.7
193.04961	2.6
217.03801	0.5
224.65640	4.0
228.05728	1.2
233.03334	0.5
235.13004	0.7
248.57138	0.9
265.14014	0.8
266.14520	2.3
275.15195	0.9
286.65897	1.1
293.05161	0.7
301.37231	0.5
347.17346	7.3
347.21906	100.0
347.67499	2.6
348.22275	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1674
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
53.53234	0.4
55.05494	1.8
56.05819	0.4
56.96556	1.4
57.03424	0.6
60.07829	0.4
61.02927	0.6
67.05488	0.7
69.03414	1.3
69.07066	0.8
69.80909	2.6
70.06558	0.5
71.04999	0.5
73.02905	0.6
79.05472	0.4
81.03408	0.8
81.07046	1.5
83.08603	0.9
84.96032	0.5
85.02902	3.3
86.08434	0.8
91.05463	0.7
93.07013	1.1
95.08598	1.4
97.02881	1.6
97.06518	0.5
98.97577	3.2
105.07015	0.6
107.08628	0.6
108.42539	0.4
109.10130	0.7
116.98620	2.2
119.08554	1.0
121.01694	0.8
121.10142	0.9
125.09634	1.4
127.03922	0.8
129.07097	0.4
133.01665	0.8
134.99623	0.5
145.10062	0.7
146.99612	0.5
147.03227	0.5
147.11603	0.5
149.01215	0.5
157.01721	0.8
158.99622	1.3
161.01254	0.4
163.02740	1.4
163.11206	0.4
175.02623	0.6
177.00710	1.1
185.11449	1.2
185.12921	2.0
205.03676	0.4
207.07851	1.0
216.08246	2.2
219.01768	0.7
223.04929	1.0
232.61130	0.4
234.37849	0.4
237.02800	1.1
287.11670	0.6
301.09415	0.7
305.12662	1.5
319.10648	1.1
329.11240	0.5
347.16766	100.0
348.17065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1828
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05519	1.1
56.96563	8.4
63.44246	0.7
64.11417	0.8
67.05508	2.6
69.07064	2.3
69.86375	2.1
69.86794	3.5
78.26537	0.9
79.05486	2.6
81.03433	0.9
81.07056	2.6
88.64258	0.9
91.05488	3.2
93.07056	2.5
95.08615	2.3
97.06541	2.4
98.20811	1.0
105.07071	2.2
107.08619	1.7
109.06540	1.5
117.07055	0.8
119.08598	3.0
128.98656	1.2
131.08585	1.7
135.08115	0.9
136.06163	1.2
143.08539	1.0
145.10112	1.7
146.99600	1.3
151.07610	1.1
157.10097	1.1
159.11700	1.0
162.46790	0.9
165.00752	1.0
175.11177	1.1
196.24556	0.9
229.07379	1.5
243.08902	1.0
261.14624	29.1
279.14532	3.5
291.12827	2.5
297.15366	0.9
302.77655	1.1
329.14151	6.1
347.18399	100.0
348.18729	5.3
350.21298	0.9
365.16568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01863	11.6
55.05510	100.0
56.96574	5.5
57.03431	7.6
69.03426	27.0
70.06588	8.4
71.04994	4.3
71.60077	3.9
72.08153	6.3
73.02921	4.0
79.05500	3.6
81.03416	4.4
81.07049	6.2
83.04949	3.7
83.08615	65.3
84.08139	5.9
85.02899	33.2
86.06068	4.8
86.09715	9.2
87.00833	12.7
87.04477	4.3
89.74306	2.8
97.02889	32.0
98.97601	4.1
104.68033	3.1
105.01860	4.4
109.02832	5.3
115.03927	50.0
116.98618	7.4
125.02358	6.6
127.03917	5.5
131.00226	3.8
133.04977	12.6
136.06206	18.8
138.68800	2.9
145.04988	3.3
158.34167	2.8
161.04445	24.9
167.10655	7.6
177.00728	5.2
179.05534	4.7
194.92261	2.7
201.03908	4.0
217.81303	3.3
219.05009	4.5
221.05135	4.6
226.08563	3.1
247.04559	5.9
301.12149	5.8
303.13879	7.0
314.75244	2.8
320.05676	3.6
347.08151	8.0
347.12579	17.0
347.16870	18.0
361.28888	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05495	0.8
56.96557	1.3
62.15813	0.6
62.90243	0.6
65.03943	5.0
67.05514	6.4
69.03413	1.2
69.61645	1.6
69.62057	3.5
70.06566	1.4
72.08148	2.1
74.47348	0.7
79.05493	1.2
81.03405	1.3
81.07058	0.7
82.06600	0.8
84.04496	0.8
84.08160	0.9
85.02908	2.2
86.09709	1.6
91.05455	2.2
92.05003	15.1
93.07030	0.9
94.06561	1.5
95.04974	2.6
95.08616	1.2
96.04500	1.8
97.02881	1.0
97.06541	1.2
98.06081	0.8
105.07050	1.3
107.08619	1.0
108.04472	1.3
110.06031	1.7
117.07038	1.2
118.06519	0.6
120.04471	6.4
120.08102	0.9
121.10120	0.8
122.06026	3.7
131.08583	0.9
133.06477	0.7
133.10080	0.6
134.06017	2.6
136.06165	2.5
136.07573	1.4
137.05989	3.1
138.05505	14.1
141.07051	0.6
146.06018	1.7
148.07524	0.6
149.05962	0.7
153.05661	0.7
153.06937	1.2
157.07668	0.8
158.05994	0.8
162.05510	2.1
164.07066	10.2
166.05009	10.5
167.07166	1.3
167.08553	1.0
168.08032	1.5
169.08826	0.9
170.05928	1.2
170.08406	0.8
170.09657	3.7
171.09120	1.1
172.07539	1.5
173.10716	1.0
176.07098	1.9
180.06601	0.8
180.08125	1.3
182.08160	9.6
182.09683	0.8
183.06757	1.8
184.07603	1.6
184.11241	1.1
185.10658	1.6
186.05861	1.4
186.09163	0.9
188.09549	0.7
188.11156	1.3
196.07567	2.3
197.08348	1.0
198.09180	10.0
199.08656	5.1
200.09451	1.5
201.06633	1.2
201.10164	1.2
203.90442	0.8
208.06032	4.1
208.07729	0.7
210.09148	1.8
212.07253	1.0
212.10733	3.0
213.06395	3.1
213.10188	9.5
214.08617	2.4
214.10921	1.8
215.08215	2.4
223.08601	1.1
224.07072	1.3
226.08684	20.9
227.08096	7.9
227.11792	3.0
228.08823	1.5
229.09772	2.4
231.11285	1.0
237.10162	0.9
238.08589	2.4
238.10809	0.8
239.11807	2.0
240.10292	6.0
241.09720	30.5
242.08049	1.5
242.10417	3.0
253.09769	0.8
255.11287	7.9
256.09656	4.2
258.11264	0.9
259.10803	5.2
260.11569	2.5
265.09796	2.9
266.08102	1.1
267.11224	2.6
268.09747	9.5
269.09293	7.7
270.07449	0.8
273.12436	1.2
275.10489	1.2
283.10757	8.1
284.09174	4.9
286.10690	5.4
287.10251	16.0
293.09241	0.8
294.07401	0.7
295.80231	0.7
301.11859	20.4
302.09998	0.9
311.10303	6.9
312.08582	1.6
319.12906	5.1
329.11252	12.8
330.04874	0.8
330.09518	1.3
347.12375	100.0
348.12848	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	3.9
55.05504	3.2
56.96561	7.8
62.93801	1.6
64.63561	1.4
64.84826	1.6
65.03932	5.3
67.05494	7.8
69.03423	5.2
69.07063	2.0
70.06577	2.0
70.61254	5.1
71.04967	2.7
72.08146	1.9
74.06066	1.8
79.05462	3.9
81.03397	2.8
81.07050	4.5
84.08134	2.3
85.02889	5.2
85.06557	3.5
86.09688	5.8
91.05473	6.3
91.31017	1.6
92.05000	12.7
93.07043	6.3
94.06572	2.5
95.04955	4.2
95.08633	3.6
97.02891	6.0
97.06539	1.9
98.20776	1.7
98.97584	8.0
105.07025	4.5
107.08601	3.7
109.06455	2.3
110.06015	1.8
116.98624	8.3
117.07010	1.9
119.08580	3.0
120.04484	7.3
121.06517	1.8
121.10133	2.9
122.06036	3.4
129.10258	1.5
131.08563	2.1
133.06468	2.3
133.10107	2.3
134.99651	8.0
135.08003	1.8
136.06184	4.8
137.05965	9.3
137.09590	2.6
138.05513	13.9
143.08569	1.9
145.10191	2.4
146.06046	2.2
146.99649	2.4
147.11742	2.9
149.01157	2.3
149.13316	2.4
153.05457	2.3
157.10135	2.2
157.73180	1.5
158.05908	1.7
158.99654	3.7
159.11700	1.8
163.07625	1.5
164.07051	6.1
165.05525	1.8
166.05022	11.0
167.07121	2.4
168.08064	2.5
169.08806	1.9
170.09631	2.6
173.13190	1.7
176.07072	2.0
177.00769	7.4
182.08240	7.6
185.10570	1.7
185.15651	1.8
187.14461	3.8
188.14740	2.9
191.02319	2.1
196.07651	3.5
198.09236	10.0
199.08640	4.0
201.06393	1.5
203.10371	1.6
212.10719	3.3
213.06543	5.5
213.10223	7.1
214.08699	2.6
215.08186	1.7
215.13858	2.0
219.01773	2.8
226.08708	15.6
227.08195	6.9
227.11862	2.7
228.08867	2.6
229.09724	2.9
231.11302	2.8
237.02783	3.5
240.10191	5.1
241.09721	29.6
242.10550	4.8
255.11305	8.2
255.13647	2.0
259.10870	9.3
265.09763	3.4
268.09546	4.9
269.09143	8.9
283.10852	7.9
286.10703	4.8
287.10275	16.8
301.11890	20.0
311.10147	12.2
319.12762	4.5
329.11234	18.8
329.14322	1.8
329.17807	1.8
335.45773	1.7
347.12366	100.0
348.12680	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
60.04522	1.6
67.05505	0.9
69.03416	1.8
69.99551	1.1
69.99969	2.6
70.06590	1.1
72.08135	1.9
73.02928	0.7
74.06071	1.4
77.00912	1.2
77.72431	0.6
82.99847	1.6
83.06093	1.7
84.04489	2.1
84.08138	2.9
85.02926	5.2
86.09703	5.1
97.02883	2.9
98.21379	1.2
98.97577	1.1
98.98446	0.8
99.34875	0.8
101.00864	7.4
108.08127	1.2
109.08417	0.7
113.03484	6.4
113.14874	0.6
115.03880	0.7
116.98648	1.2
117.41946	0.6
119.01920	29.1
120.02028	0.9
126.05508	0.8
129.10239	2.1
129.96835	0.6
130.04994	1.7
131.01889	1.5
133.03421	0.8
134.99625	0.6
136.06184	38.5
137.02975	5.0
143.01892	62.0
144.02003	2.9
144.06584	1.4
146.99637	0.6
147.07629	2.1
149.02971	0.9
161.02954	100.0
162.03090	3.9
164.99397	0.8
169.06049	1.9
173.02982	2.8
173.12862	1.8
177.00797	1.2
177.02390	0.8
184.04617	3.8
185.06474	0.9
185.09216	1.7
186.04514	0.8
197.06561	1.0
203.04002	38.7
204.04073	2.1
215.06590	2.4
221.04958	3.0
227.07623	1.8
287.09766	12.4
305.10739	2.7
347.12201	2.8
348.07062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	39.4
56.96563	57.3
57.03423	24.7
67.05501	89.7
69.03423	43.8
69.07076	44.6
69.33219	16.1
70.73663	47.5
71.04964	17.2
72.20864	13.8
79.05498	48.2
79.65307	13.8
81.03412	18.5
81.07061	100.0
83.08602	20.1
85.02903	29.8
85.45296	15.5
91.05474	57.9
93.07056	76.0
95.04952	20.7
95.08613	39.5
97.02915	27.4
97.06514	39.0
97.10135	16.4
98.97573	59.9
105.07051	69.1
107.08596	50.7
108.49054	15.9
109.10175	50.0
109.21294	22.8
116.98630	63.5
117.07018	21.8
119.08610	50.0
121.10131	46.1
123.08188	15.6
129.07059	18.2
131.08578	28.0
133.10121	24.8
134.99644	48.1
143.08664	20.1
145.10114	20.8
149.09615	22.8
158.99658	32.9
159.11702	20.4
173.01225	30.2
173.11732	58.3
177.00743	44.4
191.02324	34.4
195.13861	23.5
197.09531	23.4
202.98627	16.8
235.16965	46.8
239.18021	17.0
244.99780	39.2
251.11830	14.8
255.11307	44.6
275.20056	55.0
291.62991	22.2
335.36789	19.5
347.22531	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	347.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16346	6.1
55.01876	7.5
55.05493	8.3
56.05032	16.8
56.96573	50.0
67.05501	23.8
67.63966	6.6
69.03434	21.4
69.07060	17.5
69.49733	59.0
70.06607	33.2
71.04986	11.0
74.06067	35.5
75.97711	6.5
79.05484	14.7
81.03426	15.9
81.07056	19.0
84.04507	18.4
84.08123	10.7
85.02904	30.2
85.06516	8.2
86.09704	92.0
87.10072	34.1
91.05477	33.7
93.07038	21.6
95.04990	11.4
95.08608	14.5
97.02897	18.6
98.97579	89.4
101.07168	30.2
103.05443	11.0
105.07001	18.7
107.04982	25.0
107.08601	14.6
108.85828	7.0
109.10135	17.5
110.07162	16.3
116.98630	100.0
117.07012	11.1
118.63534	6.4
119.04878	10.4
119.08563	11.1
120.08132	23.6
121.06524	6.7
121.10152	7.0
125.06073	7.7
128.98625	14.1
129.06992	7.6
133.02917	7.8
133.10115	7.2
134.99640	59.9
136.06206	39.8
137.05952	52.2
142.12282	14.7
143.08556	11.3
145.10176	16.5
146.99667	16.8
147.07877	7.3
147.11852	7.5
149.05965	7.2
149.13292	19.4
151.03882	17.0
152.04771	6.5
153.05544	15.9
158.01271	8.2
158.99695	39.8
165.05566	12.7
165.06990	11.3
167.07030	11.9
171.11652	9.3
177.00710	59.8
180.84633	6.2
181.06447	10.9
187.14418	71.1
188.14767	63.0
203.05937	28.1
215.14008	22.8
216.14331	14.8
219.01639	7.3
221.07010	30.2
221.44128	6.3
237.02802	18.9
241.09731	6.9
245.07034	41.4
255.13869	18.5
259.10962	8.8
263.08029	19.4
271.09601	11.5
283.13382	18.5
289.37177	8.6
301.11340	10.3
305.09036	8.0
329.10568	9.5
347.10797	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05496	1.3
56.05035	9.3
56.96561	2.8
57.03427	1.7
58.06603	3.9
67.05490	1.4
68.05031	0.7
69.03403	1.3
69.07047	2.0
69.45689	1.3
69.46098	3.6
70.06591	2.8
71.01351	0.6
71.04990	5.2
72.08138	1.6
74.06079	26.9
79.05474	1.7
81.07060	3.3
83.04960	1.2
84.04509	7.1
84.08125	1.5
85.02913	6.5
86.06068	3.0
86.09705	65.5
87.05585	1.5
87.10038	1.0
91.05480	3.2
93.07030	1.4
95.04903	1.0
97.02872	1.9
98.09679	1.5
98.97580	4.8
101.07143	20.9
102.05556	0.9
105.07014	1.7
107.08590	0.9
109.02907	0.8
109.06469	0.9
116.98633	3.7
119.04938	1.5
119.08601	0.9
120.08111	1.7
121.06523	2.8
122.03613	0.8
123.08033	1.2
124.11212	1.3
126.09125	1.7
126.12785	2.1
129.05469	0.7
129.10258	1.0
131.00130	0.8
131.04877	0.6
131.08441	0.6
132.10201	3.6
134.99643	2.5
135.04420	1.5
137.02286	0.6
137.05966	10.6
138.02658	0.8
138.06306	1.5
142.12260	10.5
143.08545	0.7
143.11801	6.0
145.10175	0.7
146.99677	1.2
147.04356	2.0
149.01198	1.2
149.05981	2.8
150.06726	2.2
151.03893	1.7
151.07594	0.9
152.10730	1.5
158.99663	1.5
161.01224	1.1
161.05907	1.1
169.13335	1.9
173.01279	1.0
177.00693	2.0
178.02629	0.7
179.07039	0.6
181.05019	1.0
181.06520	0.9
185.13118	0.7
187.14417	100.0
191.02281	1.8
193.04927	3.3
197.12875	0.9
199.18111	0.7
200.13701	0.6
201.00812	1.0
211.07193	0.8
215.13911	29.5
219.01788	2.1
233.14963	4.5
237.02805	1.8
244.99765	1.1
245.18620	3.7
255.13687	0.7
257.14136	0.7
287.05295	0.9
297.07239	0.7
299.09149	2.3
303.05029	6.3
304.05142	0.6
317.10159	1.4
328.12378	0.8
329.10449	1.2
346.26050	1.1
359.00885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	0.8
55.05511	8.8
56.05023	1.6
56.96555	2.0
60.04509	1.7
62.70567	0.8
67.05489	1.2
68.05028	1.0
69.03407	1.6
69.07060	1.6
70.02963	1.1
70.06574	3.1
70.26745	0.7
71.07372	0.8
71.59248	0.7
71.59640	0.9
72.08154	77.9
73.02909	2.5
73.08495	1.4
74.06050	1.1
81.03365	0.8
81.07068	1.0
82.06582	5.0
84.04500	1.1
84.08143	3.7
85.02891	1.2
85.03981	1.7
86.09705	53.4
86.33263	0.7
88.03482	1.1
88.03991	16.6
91.05453	2.2
92.04979	0.8
96.08139	4.5
98.02419	4.5
98.09665	0.8
98.97589	0.9
99.04419	0.8
99.05598	0.7
99.09194	2.7
100.03957	2.7
105.07024	1.4
107.04964	0.9
113.10753	1.7
116.98651	0.8
118.08657	2.3
121.06479	0.9
124.07572	2.6
127.08680	16.8
128.07048	3.7
129.10217	1.3
132.10208	7.8
136.07532	0.9
137.05939	2.1
138.09146	2.5
141.10194	5.8
142.07559	1.7
142.08633	26.7
149.05992	2.2
151.03860	1.0
152.07062	1.1
155.08188	0.8
156.10214	6.0
167.07062	1.2
169.09709	5.4
170.08115	3.1
183.11273	3.8
184.09673	2.5
187.10774	100.0
188.11148	1.6
201.12343	49.0
215.10274	22.4
216.10506	0.9
229.11803	9.8
231.17104	1.3
233.07005	0.8
242.10812	0.7
284.08832	1.4
347.12302	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	346.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90740	0.7
55.05499	6.8
55.75179	0.9
56.96564	1.3
59.79131	0.8
59.80106	0.8
69.07066	1.3
70.02940	1.5
70.06576	2.6
71.59025	1.0
72.08154	72.0
73.02892	2.2
73.08477	1.4
81.02569	0.9
82.06576	5.2
84.04544	0.9
84.08141	3.4
85.02917	1.3
85.04029	1.7
86.09703	48.5
87.10043	1.7
88.03998	14.6
89.84498	0.8
91.05479	2.1
95.04968	1.1
96.08143	4.0
97.02921	0.9
98.02437	4.0
99.09218	2.4
100.03975	1.7
103.05476	0.9
113.10769	2.1
118.08665	3.2
120.08106	1.0
124.07577	3.6
127.08669	15.0
128.07071	3.3
129.10193	1.4
132.10228	5.5
137.05992	2.1
138.09126	2.3
141.10265	5.9
142.08632	23.0
152.07077	1.6
156.10199	6.2
169.09718	6.5
170.08173	2.2
177.00601	1.0
183.11314	3.0
184.09705	1.0
184.13347	0.9
187.10777	100.0
188.11105	1.3
201.12335	47.2
202.12663	0.9
215.10258	21.2
224.06509	0.9
229.11810	8.6
231.17101	1.4
241.09659	1.5
284.09070	1.0
293.57739	0.8
347.12244	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	346.186
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
55.01873	9.4
55.05514	22.8
56.96548	8.0
61.02914	3.8
61.64029	3.1
63.63399	3.7
67.05520	27.7
69.03430	19.5
69.07077	36.0
71.04994	14.5
71.60614	6.8
76.04006	100.0
79.05489	33.8
81.03433	7.4
81.07056	79.5
83.04987	34.7
83.08617	17.0
85.02923	9.5
85.06525	10.7
91.05478	31.8
93.07046	94.0
93.78877	3.8
95.04967	33.4
95.08604	44.8
97.02891	7.0
97.06531	52.7
97.10146	5.6
97.93481	4.4
98.10439	3.7
98.97580	13.2
99.04436	20.1
105.07030	74.4
107.04957	53.3
107.08589	66.5
107.59835	3.6
109.06521	35.0
109.10161	16.8
110.06051	7.3
111.08083	33.8
112.07597	7.6
113.06030	5.2
116.98604	10.0
117.07012	11.9
119.07765	6.2
119.08563	40.0
121.06501	71.2
121.10150	13.2
123.04417	8.9
123.08091	7.1
123.11720	15.1
125.05996	31.4
126.09155	7.3
127.03905	7.3
127.07571	12.7
128.06195	4.5
129.07021	7.8
131.08577	9.9
133.06497	6.8
133.10146	44.4
135.04443	4.5
135.08052	24.0
135.11722	4.1
137.06004	12.8
137.13281	4.0
139.07532	34.3
140.10721	5.8
141.05403	4.1
142.07759	9.4
143.07008	22.6
143.08583	13.0
145.06523	3.7
145.10123	18.1
147.08008	9.4
147.11688	91.3
149.13272	17.0
150.09177	9.1
151.11195	12.0
156.06593	5.4
157.08626	10.8
157.10143	29.4
159.06598	7.8
161.13203	20.1
163.11224	8.3
163.14812	8.2
165.12752	32.8
169.12221	21.9
171.08124	4.0
171.11674	35.9
172.09691	12.9
173.09625	10.8
173.13329	7.0
175.11195	78.0
181.10184	6.9
186.11310	7.8
187.11189	4.4
189.12743	56.9
191.14352	9.3
193.12260	54.4
199.11198	32.6
200.09253	8.0
205.12383	4.1
207.13821	20.4
211.13287	35.4
214.10745	4.5
214.48756	4.1
217.12262	98.2
218.15402	6.3
222.14905	4.5
225.14919	4.3
229.14363	8.5
235.13293	53.4
237.02805	5.3
238.17998	7.0
246.14922	24.3
253.14339	53.7
260.87302	3.8
264.16031	48.9
267.13843	4.8
268.15427	17.4
271.15408	5.3
274.14548	4.6
282.17035	48.9
284.18509	9.8
286.16528	20.6
292.15448	43.3
310.16458	58.1
310.19986	4.9
316.23657	3.8
325.07663	21.9
325.11047	3.6
325.57727	10.2
328.17606	45.8
345.59119	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	346.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50482	4.2
52.23511	4.8
55.05495	11.9
56.96556	18.4
58.20956	4.2
60.04529	7.8
66.97565	3.7
67.05492	6.7
69.03413	5.8
69.07076	6.1
71.60043	6.1
75.54337	4.7
78.51205	4.1
79.05495	6.6
81.07034	13.9
83.04982	5.7
83.08603	6.3
84.96016	4.2
85.02901	5.8
91.05452	7.1
93.07049	10.0
95.08566	5.4
98.97588	100.0
100.11254	10.7
105.07016	5.5
109.10171	7.2
112.99146	10.0
116.98617	86.9
117.32670	4.6
120.07993	5.1
131.00185	24.8
134.99661	57.8
140.00188	6.2
149.01213	42.1
153.00752	6.5
158.99654	35.1
160.97563	12.6
162.99069	5.6
164.09782	4.5
167.02252	6.5
173.01222	39.1
177.00719	55.1
179.65335	4.3
182.15338	6.0
191.02251	70.2
200.02298	5.9
201.00745	10.3
202.98595	24.5
214.03854	10.2
219.01804	25.6
220.99658	8.4
237.02809	5.8
244.99683	52.3
263.00708	15.7
283.06927	4.7
303.30319	4.5
345.27396	9.1
346.13254	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	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62357	3.8
52.10307	3.6
53.37136	3.5
55.05496	6.3
56.96561	20.5
67.05499	7.1
67.14111	3.4
69.07055	6.3
70.06566	4.5
70.78235	5.0
70.78581	9.5
77.66358	4.0
79.05483	5.0
81.07050	14.4
84.95983	5.1
85.02907	4.6
92.18780	3.9
93.07060	6.1
94.53743	4.2
95.04882	3.9
95.68434	3.7
97.02824	4.3
97.59345	3.6
98.97585	100.0
100.11217	5.5
105.07034	5.4
107.08590	7.6
109.10168	6.5
112.99097	5.1
113.99246	3.6
116.98615	77.8
131.00182	29.0
134.99648	57.5
140.17210	3.6
145.10117	4.4
146.99677	6.2
149.01247	47.5
153.00725	6.1
158.99660	28.7
160.97623	12.3
162.99216	5.2
173.01208	48.8
177.00702	65.3
187.94313	4.1
190.04008	5.0
191.02260	60.1
194.66389	4.9
195.01752	9.5
196.20865	4.4
201.00677	16.3
202.98663	20.3
209.03323	3.8
214.04002	8.4
219.01759	29.2
220.99654	7.4
244.99707	58.7
263.00748	11.4
288.92456	4.0
304.18405	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	345.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05517	7.7
57.03432	5.0
57.07075	63.9
61.02922	3.5
67.05506	15.7
69.03430	46.8
69.07067	4.7
70.13976	1.1
71.04990	4.8
71.08632	37.5
71.59288	1.3
79.05494	2.4
81.03416	52.7
81.07060	17.6
83.08611	12.7
85.02904	100.0
85.06552	1.6
85.10182	21.6
89.06038	2.7
91.05475	2.0
93.07021	2.1
95.08610	42.3
97.02883	24.4
97.10172	6.3
99.04470	9.2
99.11746	2.0
103.07645	1.8
104.99286	10.4
107.08607	1.3
109.02878	18.7
109.10153	33.1
117.05501	1.2
123.11691	6.0
127.03909	21.9
131.08566	1.4
145.04933	6.2
156.77647	1.2
165.16388	2.9
183.17445	39.0
201.18480	4.2
231.82474	1.2
250.72609	1.3
262.98184	6.4
285.20758	1.9
327.21674	4.4
345.23068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2636
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.05501	32.4
63.14216	7.8
67.05508	100.0
69.07050	32.8
70.94759	24.2
71.04983	24.2
72.08139	7.9
79.05497	43.2
81.07053	93.4
83.04990	13.2
83.08632	13.6
85.06530	19.0
89.70852	7.6
91.05466	38.5
93.07050	72.7
95.01976	7.4
95.04977	16.6
95.08610	87.8
97.10159	16.7
98.97581	9.0
99.08087	13.6
104.99271	59.5
105.07028	38.0
107.08585	61.6
109.10139	29.2
111.08042	9.6
119.08543	29.6
121.10155	84.0
127.81718	8.5
133.06483	22.7
133.10124	23.6
135.11688	42.9
137.05991	16.1
139.11191	19.1
141.82677	8.3
145.10092	11.8
147.04375	10.3
147.11765	18.7
149.13220	12.0
159.11673	13.1
183.13921	11.1
191.07053	9.0
203.12814	16.2
259.20605	20.8
262.98117	26.1
274.27490	13.7
277.21710	53.7
327.15765	12.3
345.09674	32.0
345.24704	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	345.2036
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
71.61422	5.1
104.99275	16.3
105.06977	3.9
262.98132	11.3
327.19263	59.4
328.42719	3.3
345.20416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90059	0.8
55.01859	1.9
55.05492	3.1
56.96559	3.0
57.03444	1.1
57.07056	1.4
61.02929	1.3
65.03932	0.8
65.21033	0.6
67.05489	3.1
69.03413	8.0
69.06714	1.0
69.07061	11.3
70.06581	2.2
71.04975	1.9
71.08627	1.3
71.42805	1.5
72.08134	1.3
73.02910	7.1
74.06045	1.0
78.25344	0.6
79.05486	4.7
81.03401	3.3
81.07045	22.7
83.04968	3.5
83.08617	1.5
84.08125	1.2
85.02903	8.5
85.06538	4.4
85.63692	0.9
86.09697	3.9
91.05463	3.5
93.07052	2.9
95.04976	3.6
95.08612	5.5
97.02882	2.6
97.06519	3.3
98.97568	3.4
99.04453	4.0
99.08083	12.3
104.13023	0.7
105.07027	3.6
107.04966	1.6
107.08582	5.2
109.02859	0.9
109.06503	4.5
109.10158	4.2
111.08083	1.6
113.06019	1.0
115.05408	1.0
116.98616	6.2
119.01900	2.9
119.04918	0.7
119.08571	3.5
121.06517	1.8
121.10152	11.6
122.07178	1.1
123.08071	3.3
123.11699	4.5
125.05997	0.9
125.09632	8.9
127.03927	2.0
127.07539	3.1
131.04878	1.1
131.08553	1.2
133.10077	0.8
134.99661	3.4
137.05966	6.2
137.09596	2.3
137.13261	2.2
139.11151	8.2
145.10115	1.2
146.99585	1.4
147.04398	0.9
147.11665	2.8
149.01212	1.2
149.05972	5.1
151.03926	0.8
151.07530	2.1
153.06978	1.9
158.99695	2.2
161.01233	1.3
161.02969	0.8
161.05960	0.9
163.07529	1.5
165.12727	6.1
167.08487	0.8
173.01231	1.1
173.09579	0.8
175.07532	1.2
177.00691	3.6
177.09094	1.9
181.06500	2.2
183.13795	100.0
184.14005	1.0
187.14432	0.9
191.02184	1.1
196.05177	1.9
201.00722	1.4
203.05214	1.3
207.13826	0.8
209.05913	1.0
211.07530	2.7
213.09103	2.8
219.01779	2.8
219.10674	1.4
221.05946	0.9
225.05482	1.0
237.02773	2.0
241.08540	3.2
243.10832	5.4
244.99686	1.1
257.04376	1.1
258.08936	3.5
273.11176	9.9
273.18811	0.9
285.11374	1.8
287.05441	7.3
291.19495	1.7
299.09100	7.0
327.12381	2.2
345.15314	32.1
346.15344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49957	12.8
57.07071	45.3
67.68160	12.1
71.08633	45.6
79.53848	11.7
85.06538	42.6
86.46915	11.8
89.45514	12.5
97.02896	100.0
99.08096	51.5
104.99232	13.1
109.02882	44.6
127.03920	48.9
138.59346	12.7
320.59503	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	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02812	0.7
53.03905	0.8
54.25334	0.7
54.44743	0.7
55.01827	1.7
55.05449	2.6
56.96500	2.7
56.96752	0.9
57.03389	1.3
57.07025	1.1
61.02853	0.7
67.05499	4.0
69.03424	7.6
69.07063	11.5
69.52633	6.0
70.06535	1.2
71.04952	1.3
71.08617	0.7
72.08099	1.0
73.02909	5.7
79.05488	4.5
81.03339	2.8
81.07056	19.2
83.04978	4.0
83.08572	0.8
84.08098	1.6
84.95996	1.3
85.02898	9.0
85.06537	5.6
86.03288	0.8
86.09647	2.8
87.04427	0.7
91.03927	1.0
91.05412	3.1
93.06981	2.8
95.04891	2.4
95.08607	5.9
97.02833	2.2
97.06471	2.4
98.20795	1.5
98.97589	5.1
99.04379	2.6
99.08087	9.5
105.07006	3.8
107.04916	1.5
107.08588	5.1
109.02814	1.1
109.06503	5.2
109.10149	4.2
111.08010	2.2
113.05933	2.0
116.98617	3.5
119.01878	1.5
119.08572	3.3
120.08071	0.7
121.06438	2.6
121.10140	11.5
123.08021	2.7
123.11701	4.4
125.05915	0.8
125.09621	7.7
127.03858	1.6
127.07494	2.2
128.98563	1.0
131.00130	1.2
131.04886	1.1
131.08499	1.8
133.10146	1.3
133.70860	0.6
134.99617	3.0
137.05963	4.7
137.09566	3.4
137.13223	1.5
139.11206	8.5
143.08505	1.5
145.04930	1.1
145.10103	1.6
146.99631	1.3
147.11652	2.5
149.05995	4.2
151.03868	0.8
151.07532	2.1
153.06987	1.9
158.99660	1.0
159.07974	0.8
161.01202	1.2
161.02864	1.1
161.09605	0.7
163.07462	1.2
165.09119	0.9
165.12752	5.0
168.84705	0.7
173.01276	0.9
177.00720	2.3
177.09114	2.4
181.06458	2.2
183.13803	100.0
184.14082	2.0
189.00720	0.8
191.02222	1.1
191.07042	0.8
195.08209	0.9
196.05223	1.5
197.05916	0.8
207.13715	0.8
209.06041	0.8
211.07446	1.8
213.05536	1.1
213.09146	1.3
215.13838	0.9
219.01859	2.0
219.10732	1.4
219.25180	0.8
225.09355	0.7
234.63054	0.7
237.02913	2.6
241.08647	2.4
243.10776	4.6
258.08817	3.8
261.11990	0.8
272.17032	0.8
273.11188	7.6
273.13873	0.8
278.53040	0.7
285.11697	1.4
287.05545	5.9
291.19528	0.9
295.09909	0.9
299.09091	6.0
300.89920	0.7
313.10941	0.9
314.67328	0.7
327.12531	2.0
345.15292	28.9
346.04639	0.9
346.15726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1525
Annotation	(1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.18310	0.8
53.03939	1.9
55.01838	0.8
55.05510	35.9
58.60241	0.8
58.99571	1.8
59.04982	1.1
60.09157	0.9
67.05508	1.7
69.03081	1.0
69.03432	15.9
69.07056	4.5
69.61209	4.5
69.61629	1.4
71.04987	1.8
80.05006	3.7
81.03419	5.9
81.07050	2.2
83.08614	4.6
84.04495	1.1
85.02887	5.0
86.99045	1.5
93.07014	2.1
95.04943	1.5
95.08595	2.3
97.02886	2.5
97.10173	28.1
98.21521	1.1
98.97593	1.2
99.04455	5.1
105.07023	1.2
107.04964	1.6
109.02884	2.3
109.10150	2.4
111.04438	1.6
114.03770	4.2
115.11230	4.2
116.01667	3.5
116.98645	1.1
119.01905	1.3
119.08572	1.8
127.03932	6.5
137.05988	6.1
137.09628	5.6
142.03224	28.7
143.03357	2.6
143.10684	5.3
144.01147	1.5
145.05060	1.0
159.08435	4.1
161.02950	1.8
161.06001	3.6
162.02179	5.7
165.06966	1.3
165.09169	2.7
170.02713	10.5
173.05901	1.0
182.07245	1.0
183.09946	7.6
185.04201	3.2
189.04056	1.2
193.06467	1.5
199.05373	1.6
203.05302	10.1
203.07048	1.2
210.06786	1.9
211.07394	1.3
213.03955	2.8
221.05872	1.8
225.09030	4.4
227.04948	1.6
231.05049	4.3
238.06306	2.3
245.05867	4.8
253.08696	5.1
262.10837	0.9
267.10318	1.8
285.11230	11.5
295.09531	1.3
299.09262	1.0
327.11703	6.0
345.15210	100.0
346.15439	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.05264	1.1
55.05512	18.1
55.99081	0.6
56.96574	1.1
58.99576	5.3
61.01160	1.0
67.05498	1.4
68.05015	1.2
69.03420	1.2
69.65095	4.9
71.04996	3.3
72.08147	3.6
76.04025	1.0
79.05492	1.1
80.05016	14.3
81.03404	1.3
81.07057	2.4
83.08620	12.4
84.04499	4.5
84.72326	0.6
85.02908	3.4
85.06533	0.8
86.00632	0.7
86.06065	2.2
86.09718	4.7
86.99051	3.1
87.10021	1.2
88.02190	0.8
91.05470	1.6
93.07040	1.5
95.04935	1.0
95.08604	2.2
96.04495	1.6
97.06542	0.8
98.97574	2.2
99.02700	1.1
102.04131	0.7
105.07024	1.5
107.04946	1.0
107.08581	1.8
108.04466	2.5
109.06578	0.9
109.10147	1.1
111.08083	0.8
114.03755	14.0
116.01683	14.1
116.98624	2.1
117.06953	0.8
119.01841	0.7
119.08610	1.0
123.07980	0.8
125.00640	0.7
127.05775	0.7
131.08588	1.2
136.03928	2.6
137.05959	1.2
137.09636	1.1
139.05771	1.6
142.03220	100.0
143.03488	0.8
144.01140	7.0
157.10185	0.7
159.08382	13.8
161.02943	1.7
162.02203	16.6
163.03900	2.3
170.02707	33.4
171.11763	1.3
174.10448	0.7
175.11150	1.5
177.00716	1.1
185.16431	1.3
186.16844	1.6
199.05356	5.0
211.07204	1.4
214.08571	1.1
214.16353	1.3
217.12196	1.9
221.03056	0.9
227.04857	5.3
237.02766	0.8
240.10742	1.0
242.12111	3.2
245.05908	16.0
262.11127	5.2
270.11566	2.2
313.10745	0.8
327.13327	1.1
345.14084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52752	0.4
55.01863	0.6
55.05507	17.2
56.96563	0.5
58.99583	5.5
61.01149	0.7
67.05489	0.8
68.05010	1.3
69.03426	0.5
69.07054	0.5
69.45487	2.2
69.45916	1.2
70.08289	0.4
71.04967	0.5
73.01144	0.5
73.43905	0.3
76.03992	1.3
79.05484	0.7
80.05013	15.6
81.03407	0.6
81.05785	0.5
81.07034	2.3
83.08135	0.7
83.08615	13.4
84.04496	4.9
85.02865	0.5
86.00608	0.5
86.06058	1.2
86.99052	3.7
88.02187	0.8
88.90610	0.4
95.08575	0.4
96.04475	2.0
97.01125	0.6
98.06025	0.5
98.20759	0.9
98.97591	0.5
99.02615	0.8
105.07019	0.7
107.08584	0.7
108.04476	3.6
109.10115	0.4
114.03749	14.6
116.01673	14.4
116.98613	0.6
121.10143	0.4
123.11664	0.4
124.02167	0.6
125.05981	0.4
126.05477	0.4
127.05801	0.6
136.03909	3.2
139.05779	1.6
141.07303	0.7
142.03214	100.0
142.88939	0.4
143.03558	1.2
144.01157	5.8
144.04745	0.6
158.99713	0.4
159.08382	14.3
162.02191	17.5
170.02707	33.4
171.03078	0.5
193.06184	0.5
199.05336	4.6
211.07198	1.7
224.10976	0.7
227.04854	5.2
240.10497	0.6
242.12105	3.8
245.05894	15.5
246.06319	0.5
262.11063	4.7
262.13657	0.6
270.11554	1.1
303.14017	0.4
327.13232	0.5
345.14566	1.0
345.18710	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	345.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36861	0.4
55.05507	14.5
58.99579	5.3
68.05019	1.0
69.03418	0.6
69.07044	0.6
70.96587	1.1
71.31808	0.5
73.01118	0.4
76.03988	1.2
79.05470	0.7
80.05012	14.4
81.03426	0.5
81.07034	1.6
83.05037	0.4
83.08143	0.7
83.08617	10.6
84.04486	3.5
86.06045	0.9
86.99061	2.8
88.02213	1.0
91.05465	0.5
94.70705	0.4
96.04487	1.7
97.01102	0.7
98.06065	0.6
98.21405	0.5
98.97569	1.3
105.07007	0.7
107.08604	0.7
108.04466	2.5
114.03752	14.4
116.01670	14.0
116.98610	0.7
119.08575	0.6
125.00613	0.6
136.03946	2.2
139.05746	1.8
142.03214	100.0
143.03561	1.1
144.01125	4.0
144.04778	1.2
155.05130	0.4
158.99681	0.5
159.08377	10.5
162.02190	14.2
167.05310	0.5
170.02702	34.1
171.02922	0.5
173.01324	0.7
188.03735	0.7
191.02272	0.7
199.05341	5.2
211.07082	0.8
224.10979	0.6
227.04836	5.8
242.12041	2.3
245.05890	16.9
252.10538	1.0
262.10989	3.4
270.11615	1.3
290.12109	0.5
345.15033	1.9
345.20898	0.5
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
54.02833	5.9
55.05502	10.4
55.31134	5.3
57.07067	15.0
67.05507	35.7
69.07065	19.7
70.06584	24.8
71.08630	14.9
71.20950	6.5
71.59882	8.0
74.06073	11.7
79.05479	18.8
81.07050	29.6
83.08618	14.2
88.07623	100.0
91.05461	12.7
93.07049	23.7
93.71164	6.0
95.04962	6.2
95.08594	18.7
97.06515	9.4
99.08087	7.2
100.11269	8.8
104.99264	7.6
105.07002	12.0
106.08678	17.8
107.08584	17.1
109.10168	11.0
119.08624	13.0
121.10187	8.1
133.10127	12.1
135.11725	7.0
139.11127	12.1
149.13252	8.2
159.11729	7.5
262.98264	7.9
277.21692	17.6
283.26257	16.4
298.31183	12.0
325.20474	6.1
344.31622	86.5
344.35321	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42809	2.8
55.01854	4.4
55.05515	57.9
61.76718	3.0
63.27472	3.2
63.73691	3.2
67.05515	22.7
69.03418	6.6
69.07056	14.6
70.22591	13.9
71.08636	17.2
71.08954	2.9
79.05494	22.5
79.18007	3.4
81.03430	5.3
81.07063	20.6
81.18448	3.5
83.04977	3.9
83.08617	34.8
85.02917	3.0
91.05495	7.6
93.07045	22.2
95.08619	6.2
97.10172	67.1
99.08083	19.7
100.76717	3.4
101.42940	3.6
104.99261	11.5
105.07035	7.2
105.89899	3.1
107.08595	40.7
109.10165	8.0
111.08067	4.3
117.06998	3.6
119.08603	7.8
121.10121	9.7
125.09627	72.5
126.12820	4.2
133.10129	5.7
135.08064	17.1
135.11690	9.2
139.07547	3.4
150.06348	2.9
151.11165	8.2
153.09099	15.1
157.12221	6.3
161.13254	4.2
171.10132	4.9
193.16023	3.4
203.12773	100.0
225.18584	4.9
241.19431	3.9
259.20590	6.7
262.98117	7.4
267.10675	3.3
277.21631	49.1
291.23129	12.5
309.24222	12.0
344.31451	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.8
56.05008	5.9
57.07060	23.5
57.34376	7.1
60.04528	100.0
67.05507	53.3
69.07057	27.7
71.08636	10.5
71.59816	8.7
78.14133	5.2
79.05496	46.3
81.03423	15.4
81.07050	57.5
83.08608	15.4
84.04502	8.9
85.02866	8.1
86.06081	6.7
87.04545	7.7
88.03973	13.4
91.05467	35.6
93.07059	31.9
95.04964	12.1
95.08599	36.6
97.10185	8.5
104.99270	20.5
105.07040	31.9
107.08607	16.6
108.08104	10.8
109.06510	9.7
109.10137	17.7
119.08581	24.2
121.10149	19.8
133.10095	20.4
135.11688	12.8
139.32843	6.3
142.08527	7.9
147.11740	7.8
169.02751	7.2
245.22598	30.0
253.31741	6.6
262.25366	6.3
262.98196	20.6
263.23727	30.8
280.26291	39.3
283.42676	6.8
290.24680	11.0
298.27393	25.4
308.25949	18.3
316.28476	6.0
326.26941	42.1
326.30255	7.5
344.31470	14.7
344.35306	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.3
54.47267	9.3
55.05515	62.0
56.96554	38.6
57.03434	16.6
67.05509	57.6
69.03437	12.2
69.07047	34.9
69.33434	100.0
71.04975	22.4
79.05485	40.5
81.03399	18.9
81.07068	67.0
83.04991	19.4
83.08606	17.7
91.05480	36.7
93.07040	50.8
95.04958	23.2
95.08585	31.6
97.06511	24.9
97.10148	44.7
98.20697	18.2
104.99285	22.2
105.06991	33.7
107.04993	13.6
107.08569	31.1
109.06535	19.9
109.10126	17.9
111.08073	12.3
113.06022	11.1
116.98597	13.8
117.07030	22.6
119.08556	30.4
121.10115	17.9
123.08054	33.3
125.09604	23.9
131.08566	19.7
135.08067	16.1
135.11748	14.3
151.07526	13.9
157.10236	14.1
159.08084	13.8
177.12750	15.4
189.11200	36.7
190.95480	12.1
212.16409	15.4
262.98169	23.1
285.10156	14.8
291.19650	20.6
297.78442	11.3
313.10919	17.5
326.23294	14.8
344.12003	14.2
344.23953	15.8
345.20483	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97630	3.4
53.03942	3.0
55.05493	12.4
56.96556	6.4
57.03416	11.9
65.95110	3.2
67.05502	23.3
69.03413	5.9
69.07076	19.7
70.01778	6.1
70.02200	11.9
71.04975	11.2
78.04629	3.0
79.05488	28.4
81.03404	14.0
81.07066	25.3
83.04965	4.8
83.08595	4.6
91.05473	14.5
91.91718	3.0
93.07041	20.1
95.04968	25.1
95.08591	15.2
97.06536	100.0
98.20695	3.0
99.08075	7.0
104.99263	8.5
105.07018	14.0
107.04938	4.9
107.08572	8.4
109.06500	6.0
109.10123	5.1
112.56905	3.3
115.07602	19.0
117.07008	7.4
119.08582	11.0
121.10191	7.3
123.08089	4.5
129.07022	3.9
131.08633	6.6
133.10123	8.3
135.08025	4.4
135.11707	4.2
137.06050	3.5
143.08508	4.9
145.10104	9.6
147.08029	5.0
157.10132	5.1
159.11697	4.9
163.11227	4.9
173.13280	3.9
177.09335	3.5
177.12758	7.2
190.95232	5.1
195.13808	4.6
211.86501	3.0
221.15427	3.4
262.98141	7.0
265.91537	2.9
344.23077	3.3
345.20633	4.6
365.09525	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	29.7
56.96557	29.6
58.11627	16.9
61.50287	14.3
62.10021	17.2
67.05502	51.1
69.03412	27.1
69.07067	92.0
71.00293	35.2
71.00677	36.3
71.04996	17.7
73.13024	15.8
74.52148	15.9
79.05479	92.5
81.03425	49.8
81.07062	98.0
83.08592	22.7
85.06550	17.1
91.05484	49.1
93.07039	95.6
95.04976	58.9
95.08595	40.9
97.06515	100.0
99.08040	17.4
104.99260	51.0
105.07011	55.4
105.58390	16.7
107.04977	15.4
107.08597	50.0
109.06493	44.1
109.10151	36.6
115.07585	63.0
119.08569	49.6
121.10155	38.3
123.08076	36.6
130.60408	18.2
131.08582	39.4
145.10130	31.5
149.09631	25.4
149.92160	18.7
157.10098	23.2
262.98196	49.9
291.19443	29.9
298.15204	23.8
332.28854	17.2
344.15530	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
57.03429	2.0
58.02966	4.6
61.02912	2.6
67.60496	0.7
69.03428	5.7
69.95013	1.3
69.95420	2.8
70.06557	0.8
72.08149	1.2
79.05496	5.2
81.03410	2.6
84.08150	0.9
85.02424	1.3
85.02908	20.3
86.09700	0.7
87.04482	1.1
88.03966	0.7
89.06033	9.2
91.05480	33.3
95.04914	0.7
97.02897	5.0
98.02428	0.7
98.27447	0.6
99.04443	1.4
103.03978	0.7
103.05466	15.5
105.07034	1.5
107.04951	8.4
109.02880	1.7
115.05446	0.9
117.05695	0.7
118.06527	5.6
119.07325	11.6
120.08103	3.0
121.06520	0.8
127.03930	4.5
129.10234	0.7
130.06508	2.7
131.03407	0.7
131.04929	9.4
132.08101	6.0
133.08603	6.2
136.07574	100.0
136.49760	0.6
137.05960	1.2
137.07948	0.8
142.03201	0.6
142.82826	0.6
144.08015	0.8
145.04939	1.8
149.05983	3.3
160.07538	1.7
175.07613	0.8
177.11247	1.9
181.11632	0.7
182.08124	46.3
211.11359	0.7
218.06551	2.7
228.08337	0.9
236.09294	3.5
239.85280	0.7
280.11835	1.4
309.12051	1.7
326.08557	0.7
326.12048	3.3
327.20328	3.5
330.15741	0.7
344.13412	1.2
345.11682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85476	1.0
55.05505	1.5
58.02948	2.1
61.02911	1.3
69.03430	2.2
69.94408	4.8
70.36697	0.9
79.05476	1.6
85.02905	8.5
86.09679	1.2
86.82438	0.9
87.04470	2.3
89.06032	100.0
90.06351	1.1
91.05484	12.2
97.02863	1.7
97.82795	0.9
99.04388	1.0
103.05473	6.1
107.04982	2.2
107.07045	3.2
113.95043	1.0
118.06490	1.0
119.07301	3.2
120.08135	1.0
127.03909	1.1
131.04924	2.2
131.07053	1.6
132.08035	2.1
133.08601	57.1
136.07581	34.1
136.08400	0.7
137.05975	2.3
137.07916	2.0
142.03217	6.3
149.05939	0.9
151.03912	2.8
162.02187	1.1
170.02728	2.0
177.11220	18.0
182.08125	13.9
195.12222	1.2
212.84711	0.9
216.84978	1.0
221.13849	2.4
227.03380	1.1
228.42378	1.2
239.14848	2.8
260.84177	1.0
283.17529	3.7
301.66464	1.3
327.20135	24.2
336.78558	1.1
345.11349	1.7
357.59436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14262	0.1
55.05506	0.8
56.96571	0.2
57.07074	10.2
58.06600	2.3
67.05505	1.5
69.07059	0.4
69.90186	0.3
69.90598	0.7
71.08630	5.4
81.07066	1.8
83.08611	1.7
85.06506	0.2
85.09713	0.3
85.10184	3.8
86.33548	0.2
93.06972	0.2
95.08605	4.9
97.10175	0.8
99.11739	0.3
109.10161	3.1
123.11707	0.7
165.16379	0.3
183.17459	4.4
222.83838	0.2
240.23212	100.0
241.23578	4.5
250.14296	0.2
266.11774	0.2
343.29456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
61.02945	0.9
61.49514	0.8
69.03419	3.4
71.43407	0.7
71.49404	1.5
71.49759	0.7
80.70361	1.1
81.03393	1.1
85.02904	16.4
87.04504	0.9
91.03931	1.0
91.05498	4.8
97.02894	3.4
101.16806	0.8
109.02870	1.2
119.04944	16.0
123.04391	3.3
127.03908	2.1
145.04962	3.8
147.04407	100.0
159.78929	0.9
159.85942	1.0
165.05473	54.2
165.87843	0.8
166.05829	1.0
177.83829	0.9
180.08792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03954	4.1
55.01868	5.2
55.05503	23.2
56.96570	8.5
57.03431	9.5
57.07057	10.9
58.46988	3.7
59.05000	5.6
65.03921	4.9
66.75417	3.8
67.05508	28.8
69.03424	12.5
69.07059	9.8
70.05370	15.2
71.04993	20.5
75.96748	3.9
79.05477	21.5
81.07061	36.9
83.04980	9.7
83.08596	6.4
91.05489	43.0
93.07043	77.1
95.04968	67.9
95.08607	77.3
97.06527	22.6
105.07027	100.0
107.04951	9.3
107.08591	67.1
109.06533	20.6
109.10155	9.0
111.04478	4.2
111.08111	4.0
115.05460	10.7
117.07031	32.1
117.34828	3.6
119.04965	4.6
119.08575	26.5
121.06522	21.2
121.10143	23.5
123.08078	36.0
123.11720	4.1
125.06017	4.3
128.06206	5.4
128.52853	3.9
129.07043	9.4
130.07787	14.9
131.08566	14.3
133.06488	6.0
133.10124	17.0
135.08038	31.8
135.11708	17.2
137.09618	6.2
137.33656	3.8
140.18181	4.3
142.07803	9.4
143.08559	15.3
145.10129	77.0
146.10437	3.9
147.08043	10.6
147.11673	10.2
149.09639	5.2
151.07539	52.9
156.09328	5.0
157.10168	12.0
159.08049	4.9
159.11679	8.3
161.09619	12.8
163.11186	62.6
165.09138	13.0
169.10089	7.4
171.11636	5.8
173.13242	5.0
175.10997	7.5
177.09216	5.7
179.08664	4.2
181.12148	3.6
185.13226	7.1
187.11267	6.0
187.14816	4.6
189.12744	14.1
197.13309	5.2
199.10947	4.5
203.14339	10.5
207.13828	6.7
215.14299	6.3
217.12306	5.0
221.15356	32.2
233.15492	7.0
241.15784	5.6
263.16443	8.5
269.15466	6.0
297.06354	4.3
308.08478	3.8
325.21622	18.1
343.15948	5.4
343.18823	6.0
343.22678	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	5.1
55.01858	7.2
55.05518	18.3
57.03428	11.7
57.07073	7.7
59.04979	7.6
59.35930	3.2
67.05499	26.1
69.03415	11.6
69.07053	5.5
70.08612	16.1
71.04993	27.5
79.05491	29.4
81.03426	4.6
81.07047	32.5
83.04980	5.7
83.08646	3.8
85.06541	6.4
91.05483	42.3
93.07040	80.3
95.04966	66.8
95.08603	93.1
97.06525	19.4
98.20781	4.1
101.28217	3.0
105.07023	96.2
107.04927	4.5
107.08591	62.7
109.06499	20.7
109.10149	6.3
110.08421	2.9
111.08048	3.9
115.05445	7.2
117.06992	37.0
119.08572	38.4
121.06517	16.8
121.10150	23.4
123.08055	33.0
129.07031	6.1
130.07776	19.6
131.08566	10.2
132.11472	2.9
133.06474	9.4
133.10172	17.8
135.08051	30.6
135.11688	17.2
137.05986	3.4
137.09570	6.1
142.07735	3.8
143.08563	18.0
145.06462	4.9
145.10117	100.0
147.08087	16.6
147.11688	7.7
149.09563	5.3
151.07538	58.5
153.09085	5.5
154.41063	3.9
155.08607	6.1
157.10123	11.4
159.08018	4.8
159.11685	10.6
161.09619	10.6
163.11179	67.8
165.09143	21.8
169.10101	6.1
171.11737	6.5
173.09616	7.1
173.13205	4.0
175.11208	9.5
177.09192	8.8
179.07092	5.8
181.12245	4.2
183.11749	4.9
187.11105	6.6
189.12740	14.2
191.14429	4.6
197.13168	5.8
203.14348	11.2
207.13832	8.5
209.15404	5.2
215.14421	6.1
217.12271	3.5
221.15387	34.7
223.14835	3.5
234.09698	3.3
241.15826	4.4
263.16531	8.3
265.40137	3.4
286.19263	8.0
325.21634	15.3
343.18311	5.4
343.22632	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.53957	2.4
53.03927	4.2
55.01872	6.6
55.05519	19.2
56.96567	2.8
57.03438	8.5
57.07074	12.1
59.04999	8.2
65.03917	4.1
67.05500	33.8
69.03426	14.4
69.07075	13.3
69.23238	2.4
70.02885	12.3
71.04993	25.8
79.05488	25.8
79.05912	3.2
81.03438	6.5
81.07055	31.6
83.04971	6.4
83.08618	2.7
85.06524	5.0
91.05480	39.2
93.07047	87.8
95.04974	67.0
95.08604	98.8
97.06551	17.5
105.07028	100.0
107.04963	4.6
107.08590	62.3
109.06491	16.4
109.10181	9.4
115.05463	9.6
117.07013	33.4
119.08585	35.5
120.86863	2.7
120.88464	2.6
121.06498	20.1
121.10132	22.0
123.08076	29.6
125.05993	4.6
128.06187	3.8
129.07002	10.5
130.07777	18.8
131.08571	10.4
133.06503	8.5
133.10146	19.5
135.08055	30.9
135.11693	22.2
137.05948	3.1
137.09618	6.8
141.07037	3.0
142.07774	3.8
143.08574	9.3
144.01517	2.7
145.06499	2.8
145.10121	98.2
147.08060	14.4
149.09637	7.5
151.07550	50.6
153.09175	4.2
155.08583	6.7
157.10112	8.2
159.08124	5.3
159.11690	11.9
161.09599	13.2
161.13234	6.3
163.11183	81.7
165.09145	19.1
169.10170	6.4
173.09669	4.8
173.13257	5.7
175.11272	3.9
177.09125	6.1
179.07054	5.4
182.49548	2.9
183.11569	3.7
187.11208	7.1
188.44112	2.5
189.12778	13.0
195.11839	2.9
197.13271	4.1
199.11185	3.9
201.12692	3.0
203.14366	10.9
207.10243	3.5
207.13786	8.6
209.15152	3.2
215.14319	5.1
217.12357	3.5
221.15388	33.6
225.05434	2.7
234.35558	2.8
247.44772	3.1
263.16470	9.1
266.69604	3.1
269.15442	4.8
275.19949	2.8
277.13647	2.8
279.95007	3.7
286.19308	8.1
287.20026	3.1
289.26953	2.6
320.21786	3.1
325.21674	10.3
328.20035	3.2
343.18893	7.5
343.22610	84.2
344.19653	4.1
353.53433	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03956	6.6
55.05506	20.2
57.03429	9.6
57.07066	16.2
59.05004	7.7
67.05495	22.5
69.03430	13.0
69.07069	7.3
70.45989	4.5
70.86000	15.8
71.04989	25.4
73.41635	4.5
79.05514	30.3
81.07059	31.0
81.75932	5.2
86.60641	5.1
91.05473	36.0
93.07039	87.5
95.04965	67.6
95.08042	7.0
95.08607	79.2
97.06531	15.8
104.06162	5.6
105.07029	97.0
107.08582	68.5
109.06513	17.1
109.10139	9.0
115.05432	6.3
117.06988	37.9
119.08584	28.7
121.06506	16.6
121.10123	15.4
123.08071	29.2
129.07024	9.4
130.07777	19.2
131.08578	11.2
133.06487	10.4
133.10132	18.6
135.08046	34.1
135.11682	22.1
137.09666	8.1
143.08600	15.9
145.06412	6.4
145.10118	100.0
147.08044	17.2
147.11713	6.6
149.09644	9.3
151.07518	57.8
157.10107	15.6
158.10770	5.5
159.11736	11.2
161.09610	10.2
163.11162	68.2
165.09154	25.0
169.10100	7.0
171.11621	9.1
173.09605	6.5
175.11258	6.1
177.09076	9.2
179.07025	7.5
181.72772	5.4
187.11206	9.3
189.12761	15.8
191.14325	6.4
203.14330	10.5
207.13730	7.3
209.15369	7.1
215.14410	7.8
217.12131	8.2
221.15367	39.3
286.19186	7.4
325.21503	11.4
343.22678	99.0
344.22736	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	6.0
53.53909	2.1
55.01855	5.1
55.05512	19.1
57.03442	11.2
57.07074	9.9
57.72950	1.8
59.04989	5.3
65.03944	1.8
67.05499	29.2
69.03437	9.5
69.07061	6.6
70.08899	9.6
71.04990	22.4
79.05494	24.9
81.03390	2.1
81.07051	29.5
83.04966	7.9
85.06518	4.8
91.04962	2.7
91.05476	33.7
93.06474	3.5
93.07048	74.5
95.04969	62.6
95.08601	83.1
95.87541	1.8
96.08913	2.2
97.06529	19.9
103.05444	3.6
105.07027	81.9
106.07350	2.2
107.04958	3.4
107.08593	57.8
107.64619	2.0
109.06513	23.0
109.10151	4.8
111.08105	3.5
115.05441	8.6
117.07009	30.9
117.07751	2.0
119.08566	25.1
121.06514	19.0
121.10126	16.0
123.08074	24.3
125.05983	4.8
128.06161	3.2
129.06982	6.7
130.07782	18.1
131.08549	10.6
133.06480	5.7
133.10117	17.2
135.08054	31.2
135.11687	19.7
137.05927	4.0
137.09570	5.1
141.06923	2.1
142.07748	3.7
143.08546	12.8
144.09305	2.4
145.06488	3.1
145.10120	94.6
146.10475	2.9
147.08046	18.8
147.11664	6.4
149.09599	7.5
151.07536	48.7
153.09113	6.6
155.08528	3.5
156.09378	4.1
156.18910	2.0
157.10139	8.3
159.08101	3.9
159.11670	7.8
161.09624	10.5
161.13258	4.1
163.11177	81.6
164.11446	2.4
165.09109	26.6
169.10115	4.5
170.10851	2.2
171.11740	5.3
173.09665	4.5
173.13260	3.7
175.11238	4.7
177.09106	6.1
179.07054	4.9
179.08521	2.6
183.11688	4.3
185.09665	3.1
185.13245	2.5
187.11194	6.1
189.09032	3.4
189.12727	11.6
191.10704	3.0
191.14302	2.9
195.11624	3.2
197.13290	4.3
199.11052	2.8
203.14340	13.6
207.10156	4.5
207.13835	9.6
209.13316	3.8
209.15224	3.7
213.12708	2.2
217.12100	2.5
221.13365	2.5
221.15349	36.2
222.15587	2.1
223.14827	2.5
227.14333	3.4
233.15372	3.0
243.13899	3.4
244.77632	2.2
245.15445	3.1
251.14221	2.5
263.16202	10.2
269.15323	5.6
270.00064	2.0
274.19254	3.2
280.49719	2.2
286.19196	4.1
287.16492	2.8
287.19968	2.5
307.20447	3.5
325.21579	8.4
343.22656	100.0
344.22910	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	343.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03929	0.9
55.01869	1.4
55.05511	22.1
56.05043	5.1
57.03412	2.0
57.07052	1.8
67.05170	1.2
67.05504	15.3
68.05016	0.7
69.03421	1.5
69.07068	22.5
70.06578	0.9
71.04983	2.6
71.39654	1.5
73.06559	1.5
79.05492	8.9
81.07054	41.0
83.04987	4.3
83.06093	2.9
83.08620	15.3
84.04502	66.2
85.02898	5.0
85.04881	0.8
85.06521	3.3
88.34888	0.7
91.05476	10.9
93.07040	12.6
95.01276	0.7
95.04955	2.3
95.08604	49.0
96.04472	5.0
97.06517	6.7
97.10162	5.9
98.06057	2.1
98.97581	0.8
99.08082	1.5
101.05983	1.2
101.48737	0.8
102.05526	3.1
105.07027	11.6
107.08594	5.7
109.06489	2.9
109.10158	6.7
111.08051	2.6
113.05988	0.9
113.09610	1.1
115.07549	1.1
117.06992	1.3
119.07792	1.3
119.08582	17.2
121.06398	0.9
121.10126	6.5
123.08064	2.8
123.11720	1.2
127.07551	0.8
127.11202	1.0
130.04024	1.4
130.04999	26.5
131.08585	1.1
133.10135	10.7
135.11679	7.4
137.09608	2.8
137.13245	9.0
141.09055	0.8
142.05016	1.2
145.10168	1.4
147.11691	1.8
149.13223	2.1
151.14789	1.0
157.10120	1.5
159.08029	1.7
159.11749	1.1
161.13260	22.9
173.13292	1.1
174.10396	2.3
175.11133	3.1
178.15936	1.0
179.14299	6.5
187.14711	1.0
196.16934	9.7
199.11188	1.7
214.18019	100.0
215.18266	3.5
217.12303	3.9
234.18568	1.0
245.11659	1.2
262.18033	16.1
263.17996	0.8
279.20703	5.0
280.19043	24.5
281.19449	0.9
307.20142	2.0
308.18472	2.9
325.21231	13.5
326.19611	46.6
327.19943	1.6
335.47366	0.8
343.22281	46.7
344.22687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01867	4.8
55.05503	2.9
55.61924	1.4
57.03439	7.3
57.07077	2.3
61.02927	12.4
67.05495	3.0
69.03432	31.1
69.07040	2.7
70.06577	1.9
71.04971	4.2
71.42816	2.6
73.02908	4.1
79.05487	7.0
79.74541	1.6
80.79494	1.5
81.03408	10.3
81.07050	9.5
83.04990	7.1
85.02905	78.4
85.06542	3.0
86.09691	3.3
87.04462	4.3
91.03935	4.8
91.05472	6.4
93.07037	13.5
95.04972	29.9
95.08594	7.1
97.02898	22.1
97.06539	4.8
98.97576	1.6
99.04443	5.2
105.07037	11.2
107.04948	2.2
107.08591	13.9
109.02876	6.4
109.06530	18.8
109.10216	2.0
111.05554	1.6
117.07037	4.4
119.08608	7.0
119.91757	1.4
121.06487	5.6
121.10146	14.7
123.08045	5.0
125.06020	12.3
127.03910	16.3
129.06943	1.6
130.07765	3.3
133.06476	2.3
133.10110	2.8
135.07988	3.1
135.11716	11.2
137.05977	7.7
137.09578	3.0
137.13245	2.2
143.08524	2.4
145.04959	19.9
145.10136	20.8
147.08063	2.6
147.11719	7.4
149.05954	2.0
151.07549	2.0
151.11168	1.7
161.05977	3.6
162.06779	1.8
163.11183	100.0
165.12767	9.2
173.09508	1.4
175.07521	4.5
181.12242	55.6
187.11070	1.6
193.12213	1.8
205.12181	4.0
223.13307	4.0
258.56360	1.5
259.81873	1.5
293.11847	1.6
297.11243	4.4
297.14642	1.8
307.15344	2.3
311.12778	3.9
325.14081	2.7
343.17618	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01852	2.2
55.05508	1.6
56.96558	1.1
57.03434	4.4
57.07064	2.2
59.04980	0.6
61.02927	4.6
63.52918	0.5
67.05495	1.6
69.03077	0.9
69.03430	15.2
69.07059	1.5
70.06585	1.9
71.04992	1.8
71.59854	1.0
73.02945	3.2
79.05483	3.6
81.03428	5.7
81.07052	8.8
83.04977	6.1
85.02904	31.8
85.06536	1.2
86.09692	1.6
87.04440	1.6
91.03948	2.1
91.05460	4.4
93.07050	9.2
95.04969	16.7
95.08591	1.3
97.02887	11.1
97.06509	3.1
99.04443	2.2
103.03973	0.9
103.05540	0.7
105.07027	8.6
107.04951	1.1
107.08598	10.4
107.27916	0.6
109.02905	3.6
109.06521	2.6
111.08076	0.9
115.03886	0.7
116.98582	0.6
117.06973	2.9
119.08588	5.2
121.06480	2.9
121.10139	10.7
123.08080	1.7
125.05985	11.7
127.03925	7.5
129.07033	0.9
130.07771	3.2
131.04906	0.6
131.08492	0.6
133.06494	1.0
133.10136	1.4
135.08034	1.1
135.11682	5.4
137.05963	2.4
143.08524	1.3
145.04967	8.5
145.09033	1.1
145.10124	17.1
147.08025	2.2
147.11757	0.7
148.08833	1.1
149.05980	0.7
153.09140	0.8
157.10045	0.7
161.09642	1.4
163.11179	100.0
164.11505	2.6
165.09087	1.5
167.07051	1.0
175.11148	1.7
177.12810	0.8
181.12233	19.4
183.10158	1.3
187.11183	1.2
205.12233	1.7
223.13324	2.0
252.09306	0.7
307.15433	1.4
343.13110	3.2
343.17255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17989	0.7
62.64603	0.5
67.05502	1.7
69.07078	0.7
70.06590	5.4
71.05038	0.5
71.06923	1.4
71.59899	0.6
72.08141	1.3
79.05486	1.3
81.07048	1.8
83.00793	0.6
86.09718	3.0
91.05484	1.6
93.07072	1.0
95.04987	0.7
95.08594	1.2
98.97611	0.6
100.11215	0.7
103.05463	0.6
105.07033	1.5
107.04990	1.4
107.08612	1.8
107.49893	0.6
109.06463	0.6
109.10174	0.7
115.05422	1.2
116.07088	1.5
118.73578	0.5
119.01903	1.3
131.01868	0.5
131.04922	2.1
133.06514	0.6
135.08078	1.7
137.05989	4.5
143.01904	0.9
143.03198	0.5
149.05989	0.9
149.07434	1.4
151.03874	1.3
151.07545	1.6
153.05469	1.6
161.03032	1.4
161.05981	4.9
163.07564	3.3
169.06505	0.7
174.06696	0.8
175.07613	2.8
177.09045	0.8
181.06769	1.0
181.08363	8.8
185.04269	2.7
189.09081	0.7
194.07272	1.1
199.09695	0.6
203.05286	7.3
205.06526	1.0
207.08151	0.8
219.08167	0.9
219.10210	0.6
222.06911	1.0
223.07541	0.6
230.15833	1.3
233.09746	0.8
237.05544	0.7
237.09045	0.9
241.08931	1.0
250.06151	0.8
250.09846	0.7
264.07690	0.8
265.08652	1.8
265.12250	0.6
267.10190	0.6
269.08054	1.2
278.09381	0.6
282.08884	0.9
283.10086	0.6
284.10669	1.0
293.11804	2.2
297.11148	4.5
299.12732	3.6
311.09421	0.7
311.12823	2.2
325.14352	2.0
343.13638	100.0
344.14227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Deoxymiroestrol
Peak:m/z	Relative Intensity
55.01855	12.3
55.05505	26.5
56.96558	35.1
60.60844	10.1
61.16897	10.1
62.32093	9.5
67.05501	46.2
69.03452	13.0
69.07058	25.3
71.05017	10.9
79.05488	49.0
81.03418	73.8
81.07064	55.1
83.96280	10.4
85.06559	16.5
86.57503	11.1
89.58289	9.9
91.04968	13.0
91.05453	60.1
93.07016	57.7
95.04967	48.6
95.08595	37.8
97.06539	29.4
98.97627	11.4
104.15434	10.5
105.07027	88.9
107.04971	21.4
107.08582	36.9
109.06525	14.8
109.10194	10.2
111.04462	17.6
115.05416	12.9
117.07027	32.1
119.04984	18.9
119.08568	26.3
121.06512	16.7
128.06293	17.8
129.06996	25.5
131.04919	17.1
131.08557	58.2
133.06488	29.6
135.04430	12.1
141.07018	12.4
142.07779	19.5
143.08565	30.6
145.06487	23.6
145.10110	30.0
147.08026	16.1
151.07607	13.9
153.07043	18.2
157.10110	49.3
159.08029	25.4
159.11717	24.6
161.09648	17.6
165.07162	11.7
167.08498	22.0
169.10132	29.5
171.08060	19.9
171.11781	15.3
173.09637	17.4
175.11153	15.8
183.11742	26.6
185.09550	16.8
193.10146	13.1
195.08101	12.3
197.09622	13.4
203.10724	40.4
223.14708	15.9
231.10133	25.9
237.08160	12.5
249.11263	21.1
251.14333	37.6
279.13876	38.2
285.10147	19.2
297.14795	91.2
307.13309	14.9
325.14307	63.3
343.15402	100.0
343.19009	20.1
343.22809	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	343.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.3
56.96567	8.7
57.03428	12.6
60.53604	7.3
61.40307	8.9
64.78651	7.1
70.06592	26.9
72.08161	23.6
83.06110	9.8
84.04494	10.4
84.08103	11.8
85.02914	24.0
85.54828	8.0
86.09702	9.0
96.05618	21.0
97.05137	9.0
98.03509	9.8
100.05115	16.9
101.23306	8.2
109.05132	23.8
111.06718	13.4
121.05110	17.2
123.06649	19.8
124.06219	35.8
125.04588	14.9
126.05354	14.0
126.07761	8.3
127.06208	23.1
133.05070	12.0
135.06728	11.2
136.06194	59.7
137.04601	12.6
138.07793	27.5
150.07715	11.4
151.06149	18.8
152.05672	100.0
154.07275	14.2
162.07718	9.3
164.09282	9.7
165.08887	9.9
166.07237	43.6
167.05559	9.3
177.08728	8.6
178.07256	14.4
183.09904	10.7
184.08362	9.4
193.08435	18.0
194.06747	38.7
199.31035	9.5
211.09392	66.5
212.07722	16.1
261.52380	10.1
266.09314	9.0
343.13577	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	343.1178
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01868	3.1
55.05501	4.8
56.96553	3.7
65.03948	3.9
67.05492	3.5
69.03439	2.9
69.07047	2.4
70.06571	1.9
71.05013	2.4
75.36478	1.8
79.05505	4.5
80.04267	1.8
81.03409	3.6
81.07044	6.0
83.04986	7.7
83.08626	3.1
85.02920	1.7
86.67364	1.9
91.05468	16.1
93.07058	4.3
94.04184	2.5
95.04970	5.4
95.08604	5.6
103.05456	6.5
105.07018	5.0
107.04962	5.3
107.08587	3.7
109.10129	3.2
111.04447	3.8
115.05454	16.1
116.98650	2.6
117.07008	3.9
119.04941	8.7
119.08596	2.5
121.02873	3.8
121.06485	7.1
121.10139	2.6
122.02845	2.3
122.03649	7.4
123.04401	1.9
125.06004	3.5
129.07013	3.0
130.77225	2.1
131.04927	7.4
131.08575	2.3
133.06454	2.5
133.10135	2.4
135.04414	3.8
135.11644	2.2
137.05986	65.6
143.04919	7.4
145.06487	13.9
145.10097	2.2
147.04385	6.6
149.06029	9.0
150.06740	4.7
151.03964	10.6
151.04944	2.8
152.06218	2.3
153.05586	2.2
153.06984	2.4
158.03624	4.4
159.04390	8.2
160.05171	7.0
161.05975	6.3
163.07559	3.0
165.07002	2.1
167.07089	2.4
167.08614	3.1
169.10324	1.8
173.06029	12.0
173.07314	1.9
174.06760	3.5
175.03915	6.7
175.07552	13.0
175.11139	2.4
176.06221	5.0
177.05499	5.0
177.07028	13.6
178.07779	2.7
179.08575	5.4
181.06474	5.6
181.08511	1.9
183.08026	2.3
186.03145	14.8
187.03944	6.0
189.06984	4.5
191.06963	3.1
194.07263	20.1
195.08076	6.0
201.05441	33.7
203.07005	2.6
204.05676	2.4
205.06491	45.5
206.07222	5.1
207.03099	2.2
207.06430	4.0
207.08115	5.8
209.09639	3.6
211.07545	5.8
217.06534	3.2
217.12215	2.6
219.06342	9.0
219.08328	2.2
221.05971	15.9
221.09532	3.3
222.06747	36.3
222.08681	3.4
223.07527	8.9
227.07025	4.2
229.75793	2.7
232.05220	2.5
233.05966	39.1
234.06776	10.6
235.07446	4.8
236.04710	2.5
236.08153	3.7
237.02740	2.0
237.09114	34.2
239.07010	7.9
239.10767	2.6
247.07530	6.2
248.08304	2.2
249.05406	13.1
250.06282	39.5
251.07138	10.6
253.08385	2.3
254.05620	2.4
261.05515	6.3
263.07086	2.8
264.07922	11.3
265.08600	75.0
266.09229	6.9
267.06653	11.7
268.07123	4.4
269.08023	2.9
273.11142	2.4
277.04971	6.7
278.05667	18.3
279.06641	4.1
279.10129	8.2
281.08130	2.6
282.08856	7.2
283.09692	18.1
292.07260	20.7
293.08057	63.6
294.08667	4.9
295.06052	7.3
297.11209	26.0
299.12668	2.9
307.09671	74.3
310.08322	12.0
311.09088	7.2
325.07092	9.8
325.10672	100.0
343.08121	8.3
343.11792	19.2
343.16830	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
51.56125	1.4
55.01877	21.1
55.02815	1.5
56.45566	1.5
56.96569	2.6
59.81855	1.6
63.95782	1.6
65.03960	1.9
67.05504	3.4
70.06596	20.3
71.06931	4.7
71.09840	3.7
71.10185	2.1
72.06392	1.5
72.08155	2.7
79.05492	5.2
80.43057	1.8
81.03421	2.2
81.07043	4.5
84.08141	3.4
85.02930	2.4
86.09695	10.5
91.05457	8.9
93.07027	1.9
94.04173	3.1
95.04965	6.2
95.08603	2.4
97.02889	2.5
103.05478	4.6
105.03445	2.6
105.07051	5.3
107.04945	8.8
107.08575	1.8
109.02937	2.9
109.06538	3.0
111.04446	4.6
115.05461	7.6
116.07085	2.7
117.03381	2.1
119.04971	2.1
120.88589	1.6
121.06509	1.9
122.03660	6.4
123.04478	1.9
125.05994	4.4
130.04144	3.2
130.08594	1.8
131.04951	8.5
131.06450	2.2
131.08601	1.8
133.06508	2.3
135.04413	3.2
135.08066	4.6
137.05986	53.3
143.04988	3.0
145.06456	2.5
145.10115	2.4
146.03596	4.0
146.99641	2.1
147.04430	8.2
149.06035	3.1
149.07468	7.1
151.03969	4.5
151.07623	2.5
153.05498	11.1
153.07018	1.7
155.04912	6.5
159.04428	1.9
159.08087	2.4
160.05231	2.1
161.05994	27.5
162.06744	16.7
163.03998	8.1
163.07524	3.8
165.05525	11.7
165.07063	6.2
165.94589	1.7
171.04379	5.4
175.07562	5.2
178.07822	4.7
179.07109	2.8
179.08527	10.9
181.06563	2.6
181.08551	2.3
183.04512	2.3
183.14819	2.0
184.15300	3.2
187.07574	3.6
189.05553	3.3
189.07030	13.1
189.08665	2.7
190.07791	19.0
191.08565	38.9
193.06529	2.7
194.07263	3.6
194.15329	1.8
195.08115	3.8
201.05495	5.1
202.07843	3.9
203.08612	2.8
205.06537	6.4
205.10393	1.9
206.07266	9.4
207.08055	23.3
208.08783	4.0
209.09645	1.9
212.14957	3.0
217.06541	5.9
217.12325	4.0
218.07281	16.9
219.08069	63.4
220.08603	3.9
221.06004	6.3
223.07600	5.8
224.08417	3.4
229.06482	3.2
230.15833	3.4
234.06786	11.3
235.07576	31.7
236.08258	12.5
237.05475	2.4
237.09084	7.2
238.06310	2.6
245.06036	3.3
246.06841	7.7
247.07559	63.2
248.08212	11.6
249.09142	4.5
250.06340	4.7
251.07025	3.6
251.10744	5.4
252.07809	5.4
253.08665	3.0
255.06599	2.3
257.06030	2.5
261.09064	7.6
262.06345	3.8
262.09668	1.7
263.07156	16.8
264.07813	18.5
265.08591	7.3
265.54483	1.8
267.10156	47.0
267.12772	3.2
269.08212	2.4
270.08826	2.0
274.06360	2.8
275.07043	47.6
276.07819	4.6
277.08469	10.8
278.09381	3.9
279.10159	23.7
280.07327	2.4
282.08893	2.3
283.09656	1.8
289.08603	4.0
290.09290	3.4
290.93933	1.8
292.07306	15.6
293.08090	48.8
293.11386	3.6
294.08676	2.1
295.09695	34.0
297.11310	6.7
299.12613	4.2
307.09653	100.0
308.10077	2.8
311.13083	2.7
313.10645	29.7
325.10699	22.3
325.14349	3.0
343.11417	3.7
343.17664	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
50.58823	1.3
55.01874	10.6
55.05515	2.5
56.96569	6.4
57.03426	1.3
58.02972	1.7
65.03949	5.3
67.05502	5.2
69.03445	3.2
69.07069	2.6
69.34721	3.8
69.35136	10.8
70.06596	3.7
79.05491	5.3
81.03416	2.2
81.07055	7.3
81.17188	1.5
83.08633	2.4
85.02919	2.7
85.06554	1.7
86.09743	3.1
89.88630	1.5
90.24105	1.4
91.05486	7.5
93.07035	4.6
94.04163	2.0
95.04965	6.3
95.08620	3.6
95.62676	1.4
97.02869	1.7
97.06500	1.7
98.97577	2.3
100.11248	4.5
101.11595	2.9
102.04755	1.8
103.05479	4.7
105.07023	5.1
107.04987	6.7
107.08598	1.7
108.02108	3.6
109.02875	2.1
109.06480	2.5
109.10206	1.6
111.04437	7.6
114.09170	4.5
115.05455	6.0
115.09563	1.4
116.01645	1.5
116.07188	1.7
116.98602	3.3
117.07021	1.3
119.04948	1.7
119.08565	2.7
121.02856	1.6
121.06515	2.4
121.10109	2.7
122.03653	3.3
123.04439	3.5
125.06005	5.6
130.04170	2.0
131.04953	8.8
131.08640	1.8
133.06471	1.7
133.10150	1.7
134.99672	2.1
135.04431	3.7
135.05463	1.4
135.08087	1.5
135.11665	1.5
137.05988	32.1
141.05481	5.4
141.06996	1.4
142.08684	2.0
143.04958	1.6
145.06479	2.9
145.10143	1.3
146.03641	2.9
146.99744	1.4
147.04422	5.4
149.05965	1.7
151.03914	100.0
151.05002	6.6
153.05505	8.6
153.69069	1.3
155.04938	3.7
159.04434	3.5
159.08069	3.4
159.11790	1.6
161.05983	12.2
162.06776	5.9
163.03958	4.0
163.07556	8.8
165.05475	7.2
165.06937	2.9
166.07890	1.4
169.10114	1.4
171.04419	2.2
173.06030	2.4
175.07520	1.8
175.11281	1.7
177.00710	1.5
177.05603	1.6
178.07813	3.4
179.08585	4.1
181.06506	2.5
181.08621	2.6
183.08040	1.4
187.03914	1.9
189.05470	3.9
189.07047	7.2
190.07817	12.4
191.07028	10.9
191.08585	18.3
194.07214	3.2
201.05441	3.1
202.07770	3.2
203.08485	1.6
205.06496	7.0
206.07274	5.7
207.08044	12.7
208.08771	2.7
209.09543	2.2
211.07436	1.4
217.06425	2.4
217.12251	2.8
218.07294	8.5
219.06516	3.8
219.08163	29.1
220.08804	2.7
221.06107	3.3
222.06818	2.2
223.07564	2.2
224.08432	2.3
225.09193	1.6
229.06372	3.5
233.05945	3.0
234.06740	6.3
235.07553	16.6
236.08228	7.6
237.05428	2.0
237.09100	5.7
245.06917	1.6
246.06815	3.3
247.07558	30.7
248.08237	3.4
249.09148	3.3
250.06293	6.1
251.07076	2.4
251.10638	4.1
252.07776	3.2
253.08575	1.5
257.05978	1.6
261.09134	4.2
263.06961	9.7
264.07751	6.3
265.08658	8.3
267.10168	20.0
270.08917	1.4
272.96439	1.2
275.07050	23.9
276.07813	2.0
277.08707	5.3
278.09360	2.3
279.10147	12.7
280.07190	2.5
283.09686	1.4
285.07553	1.5
289.08673	3.3
290.09497	2.7
292.07333	6.3
293.08105	23.9
293.11243	2.0
295.09650	15.1
297.11298	3.5
299.05441	3.4
307.06143	3.1
307.09650	52.9
308.09885	2.3
311.09360	1.9
311.12762	2.4
313.10684	14.2
315.12326	2.3
320.09021	2.5
321.38147	1.5
325.10742	16.4
338.09961	2.2
343.11755	35.1
343.15408	2.7
363.53528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24817	0.7
54.72128	0.7
69.03428	7.9
71.05025	1.9
91.05463	2.3
92.09985	0.7
102.12775	0.7
105.06992	3.3
115.05479	1.4
117.07039	0.8
118.04195	0.7
119.04945	3.0
119.08581	1.7
128.06223	1.5
129.07005	4.0
131.08524	4.2
133.10086	1.1
135.08014	0.8
141.06978	2.4
141.60284	0.7
142.07770	8.0
143.08568	4.1
145.06470	2.9
145.10101	1.7
146.07219	2.2
147.08022	1.1
147.11670	2.7
153.06985	1.0
155.08620	1.0
156.09335	6.1
157.10130	13.9
158.07228	1.9
159.08054	41.8
159.99686	0.7
160.08748	1.5
165.07048	1.4
166.07809	1.8
169.06429	1.4
171.08035	5.3
171.11687	6.6
172.08818	2.0
173.09621	4.5
174.10406	53.4
175.11180	58.5
176.11499	1.4
179.04756	0.7
181.10164	3.7
184.08849	4.9
185.09579	1.5
189.12718	2.0
199.11179	35.0
200.11674	1.1
209.09555	1.3
212.08321	1.2
217.12238	100.0
218.12614	4.6
227.10654	11.5
230.09355	1.1
245.11729	30.6
246.12027	1.6
261.69257	0.8
263.12775	13.0
275.70132	0.7
325.07401	1.0
342.03238	0.9
343.08472	6.8
356.98636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05495	2.3
61.48675	0.7
67.05486	2.1
69.03430	6.5
69.07054	3.3
69.49422	1.6
69.49834	3.9
79.05480	2.2
80.41360	0.8
81.07050	5.3
83.04970	0.9
83.08595	2.1
84.04510	6.9
85.02847	0.7
91.05495	3.8
93.07020	1.0
95.04964	0.9
95.08610	5.5
97.06506	0.7
98.20741	1.1
98.74064	0.6
103.05466	0.7
105.07049	3.9
107.08606	1.1
109.06471	1.5
109.10151	1.0
115.05442	1.6
117.07008	1.2
117.30567	0.7
119.04922	2.5
119.08574	3.9
121.06486	1.6
123.08062	1.0
128.06223	2.0
129.06963	2.7
129.28731	0.7
130.04987	2.7
131.04921	0.8
131.08548	4.2
133.10107	2.6
135.11607	0.8
137.05945	1.5
137.13246	0.8
140.75079	0.9
141.06993	1.8
142.07796	7.3
143.08554	4.0
145.06439	3.3
145.10112	2.5
146.07306	1.1
147.08066	1.5
147.11699	2.2
148.03963	2.0
153.01846	1.2
155.08572	1.1
156.09311	7.4
157.06413	1.2
157.10146	12.2
158.07333	0.7
158.87637	0.8
159.08044	38.2
160.08725	2.2
161.13240	2.7
163.03929	0.7
163.07510	0.8
166.05099	0.7
166.07738	1.3
169.06474	1.5
171.08080	5.5
171.11681	5.3
172.08820	2.5
173.09579	4.3
174.10400	44.1
175.11179	51.0
176.11554	2.2
181.10123	4.1
184.08832	5.3
185.09515	1.5
186.10503	0.8
189.12759	2.9
196.17055	1.5
197.09702	0.8
199.11182	34.2
200.11603	2.0
203.07040	0.9
208.49658	0.7
209.09726	1.8
212.08417	1.7
214.18015	9.6
217.12236	100.0
218.12550	4.6
227.10649	15.0
228.11012	0.6
230.09396	1.4
243.10181	1.8
245.11739	33.1
246.12082	1.6
262.17935	1.8
263.12775	17.2
280.19022	3.7
297.04022	2.0
300.09891	0.8
301.11765	0.9
325.03516	1.0
325.07257	1.4
325.21317	1.2
326.19681	6.5
343.04419	4.8
343.08447	5.1
343.22321	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07034	4.3
54.38741	3.9
55.01871	7.5
55.05510	58.8
56.96572	7.0
57.07055	7.0
57.97081	4.3
60.04514	17.2
63.67947	4.6
67.05499	34.2
69.03426	7.9
69.07072	26.5
70.45474	18.6
79.05489	38.5
81.07055	29.2
83.08611	35.2
88.07639	21.8
91.05463	21.8
93.07059	30.2
95.08589	13.5
97.06544	7.3
97.10168	82.6
97.31689	3.8
105.07046	25.4
107.08595	98.2
109.10168	7.7
111.08117	4.4
116.98594	7.0
119.08595	12.1
121.10144	5.6
125.09640	87.8
133.10143	7.5
135.08063	18.7
135.11713	6.1
145.10146	14.4
147.11734	7.5
149.07336	4.4
149.09590	5.5
152.32161	4.1
153.09105	17.4
157.12276	7.1
159.11589	8.9
161.13303	5.4
163.11211	10.0
171.10222	6.2
203.12793	100.0
234.24896	5.4
239.18071	10.2
243.39368	5.1
257.19086	14.1
275.20038	43.5
280.26233	5.5
289.21698	17.3
298.27533	4.9
307.22617	11.6
342.30402	5.4
343.18680	6.3
343.22574	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	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.6
55.05520	39.1
56.95138	14.6
59.07492	14.3
65.03951	15.8
67.05502	76.1
69.03445	21.7
69.07071	58.4
70.19723	14.0
71.61188	23.1
74.40315	15.8
79.05484	61.6
81.07072	55.5
83.04949	16.0
83.08624	31.8
91.05491	54.9
93.07050	67.5
95.01908	18.0
95.04976	23.4
95.08624	53.6
97.06545	16.1
97.10119	21.1
103.28313	13.1
104.15440	15.0
105.07040	54.3
107.08598	66.0
109.10159	36.6
117.07039	27.9
118.42092	15.6
119.08567	29.3
121.10123	35.9
123.08091	24.5
125.09633	21.3
131.08615	20.0
133.10141	23.3
135.11696	16.7
145.10097	28.1
147.11768	14.7
161.13316	15.0
173.11795	24.2
173.13298	17.7
174.82523	15.3
180.68471	14.6
203.12733	22.6
245.42908	13.7
301.20230	26.5
319.21240	89.6
337.22260	100.0
342.33667	26.9
355.23187	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	342.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.8
56.96563	10.5
57.03432	11.1
57.16019	5.1
59.76024	6.3
61.02916	17.2
69.03419	12.3
69.86128	33.7
70.06578	6.6
72.07791	9.1
72.08158	100.0
84.85913	6.5
85.02894	42.6
97.02901	23.5
98.20805	7.5
99.04454	11.7
101.02378	6.0
110.07165	13.4
118.08651	36.8
118.34396	6.6
127.03895	27.8
145.04955	22.5
172.95305	10.6
190.96341	12.7
207.01805	7.7
221.03145	7.7
235.52657	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05514	13.2
56.96555	3.5
57.03429	1.5
57.07077	13.6
61.02927	2.4
67.05493	2.6
69.03423	4.5
69.07058	1.7
69.65921	1.2
69.80034	8.6
70.06593	16.6
73.02898	2.1
79.05470	2.6
79.14809	1.5
81.03409	4.3
81.07043	4.5
83.08603	5.8
84.08167	1.7
84.96043	2.0
85.02432	1.5
85.02913	18.6
86.09695	6.0
89.06025	35.0
91.05450	2.0
93.07040	2.4
93.25090	1.5
94.45226	1.4
95.04968	1.8
95.08624	2.3
97.02874	5.8
98.21405	2.0
98.97575	5.0
99.73701	1.2
101.09641	13.9
105.07008	1.8
107.06380	2.6
107.07061	37.3
107.08630	1.6
109.02884	3.1
116.98631	3.0
119.01866	2.0
119.08623	1.5
127.03942	3.4
128.98607	2.0
129.40561	1.3
130.08609	2.4
131.71085	1.3
132.82417	1.5
134.99625	2.4
145.04897	3.5
158.99689	1.5
161.01288	1.9
162.00410	1.5
163.13295	100.0
164.43547	1.3
166.88762	1.4
181.13533	1.6
183.14839	3.0
211.14282	2.0
211.29759	1.5
221.07825	1.7
237.02806	3.9
252.09317	3.1
262.72470	1.8
301.09494	1.9
319.10574	10.4
324.25372	3.2
342.11621	1.7
342.15274	27.4
342.26559	3.8
343.12207	2.3
343.17087	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01875	0.5
55.05511	3.7
57.03434	1.3
65.76771	0.3
67.05507	4.9
69.03433	100.0
69.07061	2.8
70.03794	0.4
70.80283	1.0
71.04996	3.9
79.05494	3.1
81.03423	12.7
81.07062	10.5
83.01364	0.5
83.04991	1.0
83.08623	2.3
84.04527	1.4
85.02905	0.9
85.06551	1.4
91.05488	3.7
93.07040	3.3
95.04971	0.9
95.08615	10.4
96.08949	0.4
97.02900	4.5
97.06534	2.5
97.10188	0.6
99.04466	3.7
99.08109	0.6
105.07053	3.3
107.04967	0.8
107.08599	1.7
107.80501	0.3
109.02887	8.7
109.06536	0.6
109.10175	1.4
111.04463	0.3
111.08086	0.5
113.09662	0.4
115.05494	0.5
117.07016	0.6
119.08582	3.7
121.06543	0.5
121.10196	1.5
123.08095	0.8
127.03922	23.1
129.07002	1.4
130.05028	1.0
130.89198	0.3
131.08578	0.5
133.06451	0.5
133.10152	2.4
135.11722	1.2
137.05965	2.3
137.09639	0.5
137.13283	1.0
145.04903	0.4
145.06657	0.3
147.04497	0.4
147.07928	0.7
149.13301	0.4
158.39073	0.3
159.08084	0.7
159.11647	0.6
161.06036	1.0
161.13255	5.9
167.07147	1.3
169.08708	0.3
172.60425	0.4
175.07625	1.3
178.07803	0.3
179.14313	2.8
187.07527	2.3
191.08572	0.4
197.15457	0.5
203.08604	0.6
205.06499	0.4
219.08066	0.4
235.07588	0.5
249.09172	1.0
251.10532	0.6
279.10321	0.5
281.11932	1.5
297.22333	0.4
305.17679	0.4
309.11374	2.1
323.13101	0.4
323.18726	0.7
341.13721	2.3
341.19571	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12524	3.5
53.03934	14.3
55.01867	12.4
55.05511	39.8
56.96552	5.1
57.03434	8.6
67.05501	63.2
69.03426	70.4
69.07052	21.5
69.49899	5.7
69.50314	27.0
71.04988	23.2
73.02899	4.0
79.05500	58.4
81.03415	76.5
81.07057	100.0
83.04979	43.7
83.08612	15.8
85.02901	20.2
85.06529	8.4
91.05475	58.9
93.07047	53.6
95.04988	22.0
95.08039	7.2
95.08607	85.1
97.02895	30.8
97.06522	23.6
97.10165	9.8
98.20742	6.9
99.04446	11.1
99.08070	6.1
100.11228	6.6
103.05457	6.3
105.07036	64.4
107.04936	10.9
107.08611	34.7
109.02894	19.7
109.05819	4.8
109.06485	23.8
109.10156	14.9
111.04434	7.2
111.08086	12.0
114.61466	3.6
115.05473	5.4
117.07010	23.2
119.04912	6.6
119.08570	47.7
121.06522	23.2
121.10143	14.2
123.04435	6.1
123.08070	12.5
123.11656	3.9
125.05975	6.2
125.09669	4.9
127.03919	28.0
129.07005	16.1
131.04942	6.3
131.08540	22.5
133.06494	15.6
133.10101	24.0
135.08078	18.2
135.11676	18.1
137.05963	48.8
137.09627	6.0
141.07100	6.3
143.08549	10.6
145.06497	6.0
145.10106	19.3
147.08029	11.2
147.11716	10.3
149.05949	11.7
149.09624	4.9
149.13286	4.4
151.03922	4.8
151.07535	42.0
155.08604	7.3
157.06534	5.0
157.10175	7.6
159.08084	11.8
159.11667	10.2
161.05991	7.2
161.09602	6.0
161.13284	30.8
162.06696	5.8
163.07629	3.6
165.05260	3.6
165.06981	4.3
167.07047	6.1
171.11708	6.2
173.09534	6.8
173.11775	5.9
173.13266	9.2
175.07506	8.5
175.11093	4.2
175.14764	4.6
177.12804	7.4
179.14279	15.6
187.07637	18.7
187.14723	7.5
189.09238	8.5
189.12785	5.0
191.14288	4.6
197.13100	5.2
199.14812	4.8
201.12727	4.1
207.13776	8.8
209.15327	9.7
211.07419	9.7
219.08067	4.2
219.13849	9.6
221.09592	6.4
225.14789	11.7
227.14458	5.8
231.08012	6.5
233.15399	7.7
237.14851	21.6
239.07034	7.6
240.07823	4.7
248.08301	6.8
249.14944	4.2
251.16516	18.9
255.06563	4.7
256.07211	5.2
259.17001	5.2
263.07370	4.0
263.10696	8.4
263.16415	14.2
265.08356	6.0
269.15369	5.2
270.08780	7.8
271.09637	13.1
275.16489	5.4
277.08792	4.9
277.17929	7.3
281.11588	10.3
283.09882	4.6
287.16446	14.8
291.10205	18.8
293.17468	8.7
305.17441	45.6
309.07483	6.5
309.11154	10.6
323.05573	7.1
323.12701	11.8
323.18524	64.0
324.18930	5.5
341.06549	11.4
341.13870	31.5
341.19370	25.3
341.24640	5.4
341.28543	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	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01867	8.3
55.05253	5.0
55.05510	59.8
56.96569	5.9
57.03430	9.7
57.07073	5.3
65.03929	7.0
67.05502	71.4
69.03068	5.3
69.03429	80.7
69.03802	4.5
69.07064	25.2
69.41995	24.4
70.06588	3.4
70.07281	2.5
70.08955	2.6
71.01356	6.8
71.05000	24.0
72.63398	2.7
73.02925	5.5
79.05492	60.1
81.03414	80.3
81.07057	100.0
82.06596	6.4
83.04988	44.6
83.08185	4.9
83.08623	37.0
85.02908	22.1
85.06548	13.2
87.04454	4.8
91.05476	63.4
93.07038	54.8
95.04984	25.0
95.08608	89.5
97.02888	29.8
97.06531	20.9
97.10175	6.9
97.90113	2.5
98.97572	3.7
99.04449	16.0
99.08094	10.5
100.07626	5.4
100.11256	59.6
101.06007	5.5
101.11607	5.6
103.05478	7.3
105.07027	54.1
105.23963	3.1
107.04948	9.3
107.08589	35.0
109.02883	19.1
109.06516	26.0
109.10178	23.6
110.06059	3.9
111.04453	23.1
111.08097	12.1
115.03917	5.0
115.05402	3.3
116.48767	3.1
117.07000	20.0
118.12276	3.6
119.04948	5.2
119.08581	42.2
121.06512	22.0
121.10117	15.9
123.04448	8.2
123.08039	18.8
123.11666	3.7
125.09602	3.8
127.03916	23.9
128.06194	6.7
128.07060	6.3
129.05534	6.9
129.06996	17.8
131.04897	3.8
131.08569	21.8
133.02841	4.4
133.06482	17.1
133.10127	25.0
135.08069	13.9
135.11703	12.7
137.05966	44.9
137.09628	6.2
137.13232	4.7
139.49080	3.3
141.06967	5.9
141.11523	4.0
143.08575	12.3
145.05003	3.4
145.06482	6.5
145.10103	15.7
147.07063	3.0
147.08090	10.7
147.11710	9.9
149.05981	5.6
149.09564	5.8
149.13300	7.9
151.07538	38.9
155.08578	4.7
157.06456	5.6
157.10156	8.9
159.04512	5.9
159.08093	7.8
159.11717	13.1
161.05991	8.5
161.09631	5.6
161.13246	35.3
163.07596	5.1
163.11162	3.5
165.05473	4.4
165.06897	3.8
167.07063	6.6
169.10057	4.9
171.08018	4.6
171.11700	11.7
173.09662	8.2
173.11720	10.1
173.13260	8.8
175.07565	9.7
175.11166	4.7
175.14915	3.8
177.05533	4.4
177.09210	3.7
177.12807	8.4
179.07014	3.7
179.14374	15.2
181.10138	3.2
182.15393	21.5
183.11606	3.9
185.13306	8.6
187.03954	14.7
187.07497	20.4
187.11090	3.2
187.14850	4.3
189.09091	6.4
189.12712	4.1
191.14421	3.2
195.13768	5.2
199.07524	3.0
199.11229	5.2
199.14761	3.2
199.18073	4.0
201.12820	6.1
203.08585	6.5
207.13875	10.7
209.15335	10.4
209.16901	4.0
210.14871	25.9
211.07539	5.5
211.15039	4.7
217.08664	6.8
219.08224	4.6
219.13809	6.8
221.15387	6.1
223.16870	3.7
225.14928	10.6
227.14362	3.4
227.17589	12.7
227.66806	3.6
231.07962	5.0
233.15309	6.1
237.14903	15.8
239.07094	4.2
240.07808	4.2
245.15561	4.3
248.08321	9.8
249.09006	3.3
249.14886	5.1
251.16479	14.6
259.07553	5.1
259.17044	6.0
263.10657	7.7
263.16406	12.9
265.08548	5.9
269.15393	5.2
270.08890	5.5
271.09631	14.8
275.16367	5.2
277.18030	9.4
277.22125	10.8
279.10303	5.7
281.17593	4.5
283.09671	5.5
287.16376	18.3
291.10120	16.4
293.17535	6.9
296.10373	3.6
305.17474	59.0
309.11130	5.0
310.20114	3.2
311.12857	4.7
323.12741	12.7
323.18509	62.8
326.28043	4.9
341.10052	7.0
341.13638	20.8
341.19482	28.1
344.29193	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	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.7
55.01859	14.3
55.05513	32.0
57.03433	6.8
57.07022	4.4
67.05508	64.3
67.10041	3.9
69.03429	61.3
69.07069	27.6
69.98087	20.5
71.01324	5.5
71.04984	21.5
73.02924	5.3
75.99615	4.2
79.05494	60.9
81.03417	100.0
81.07055	98.4
83.04981	38.9
83.08605	17.3
85.02896	22.2
85.06540	9.9
87.04433	4.0
91.05476	56.3
93.07043	58.5
95.04956	34.7
95.08602	80.8
97.02882	23.1
97.06531	31.8
97.10155	5.7
99.04446	13.3
99.08090	6.5
103.05476	7.3
105.07028	64.5
107.04952	11.8
107.08597	38.8
109.02890	29.1
109.06512	26.2
109.10139	19.8
111.04433	12.5
111.08070	10.8
113.05984	4.4
115.03867	4.6
117.07014	23.7
119.04935	5.2
119.08575	43.5
121.06506	19.6
121.10107	21.9
123.04406	6.8
123.08066	17.1
125.02325	4.7
125.05963	4.0
125.09599	6.9
127.03918	26.5
128.06256	5.5
129.07011	18.9
131.08568	26.1
133.06477	16.9
133.10126	30.9
134.99625	4.5
135.04427	19.8
135.08072	23.7
135.11690	15.5
137.05959	11.1
141.06970	5.0
143.08557	15.6
145.06462	6.9
145.10129	14.1
147.08044	15.4
147.11670	12.5
149.06000	6.8
149.09592	5.5
149.13205	7.0
151.07547	41.9
153.09074	4.9
155.08591	7.6
157.06494	4.5
157.10114	7.9
159.08057	8.5
159.11684	13.5
161.05980	5.8
161.09644	6.6
161.13240	27.1
163.07550	4.7
165.09071	5.5
169.08620	6.2
169.10179	7.5
171.11705	7.2
173.09595	5.1
173.11725	10.7
173.13196	9.2
175.07390	4.4
175.11310	4.8
177.12717	3.9
179.14322	22.1
185.13251	6.2
187.11206	5.0
189.12772	6.2
191.14294	7.6
195.13803	4.9
197.15329	4.0
199.07555	6.8
201.12796	6.3
207.13791	9.0
209.15302	10.2
219.13763	8.7
221.15384	9.2
223.16910	5.4
225.14857	14.4
229.08563	6.3
233.15424	7.3
237.14890	19.9
241.15823	4.7
245.15430	5.3
247.09682	20.1
249.14842	6.2
251.16426	14.8
259.16907	6.2
263.16391	10.1
275.16391	4.4
277.18039	7.2
287.16470	23.4
293.17569	5.4
305.17477	36.2
323.18536	59.3
341.20181	20.4
341.24628	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	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86443	3.0
53.03940	13.3
55.01865	9.4
55.05294	3.8
55.05514	40.1
56.96554	12.1
57.03445	4.9
58.51017	3.0
59.46127	3.2
65.03918	8.6
67.05507	68.6
69.03427	65.4
69.07071	26.6
69.34502	9.0
69.34895	34.7
71.04990	24.0
73.02920	4.2
76.68494	3.6
79.05494	63.5
81.02973	6.6
81.03416	88.4
81.07054	100.0
81.64443	3.6
83.04982	47.2
83.08604	26.2
85.02906	27.0
85.06526	13.5
91.05476	63.3
93.07043	69.1
95.04964	39.1
95.08041	6.5
95.08611	85.4
97.02892	24.4
97.06520	38.0
97.10171	9.6
98.20688	6.9
99.04460	16.6
99.08076	12.2
103.05469	4.2
105.07027	62.6
107.04939	14.3
107.08578	34.5
109.02863	24.8
109.06502	31.2
109.09492	4.9
109.10137	28.1
111.04455	5.1
111.08073	14.0
115.03905	6.2
115.05470	5.1
115.07679	3.3
117.06987	22.0
119.05003	3.5
119.08586	49.4
121.06517	16.7
121.10127	17.9
123.04420	7.5
123.08078	26.8
123.11708	3.7
125.09609	9.6
127.03905	26.4
127.07558	4.2
129.06998	15.4
131.08574	25.7
133.06497	14.6
133.10146	29.7
135.08060	15.9
135.11707	14.5
137.05951	9.9
137.09608	8.7
139.07545	6.8
143.08502	18.0
145.06433	5.7
145.10129	19.6
147.08061	12.9
147.11674	8.6
149.02344	50.6
149.05977	6.3
149.13222	4.5
151.07535	37.1
153.09088	5.0
155.08551	7.2
157.10115	12.9
157.59631	4.1
159.08076	6.3
159.11684	15.3
161.05984	7.3
161.09645	6.4
161.13251	39.6
163.14923	4.2
169.10051	8.4
170.88153	3.6
171.08145	4.9
171.11697	4.5
173.09676	5.0
173.11761	7.1
173.13219	8.4
175.11160	5.6
175.14813	5.8
177.12778	6.3
179.14362	18.7
182.02304	3.7
185.13188	6.0
187.11128	5.6
189.12727	6.9
193.04950	43.9
193.12134	3.5
195.13847	6.5
197.13277	5.0
201.12718	7.4
204.90617	4.0
207.11781	5.0
207.13718	8.4
209.15350	13.7
213.12769	4.6
219.13814	6.5
221.15204	8.3
225.14842	14.4
237.14862	27.3
249.14862	6.2
251.16373	18.6
259.12320	3.7
263.16409	13.4
264.32660	3.9
269.10611	6.0
277.17999	13.2
279.16211	3.6
287.16412	16.4
293.17529	12.7
305.17465	51.4
305.20682	6.9
313.06961	4.2
323.18457	68.9
341.06494	18.3
341.19662	25.8
351.18283	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
53.04171	2.6
55.01869	14.2
55.05515	35.2
57.03423	10.1
57.07071	3.6
57.50275	2.8
65.03922	3.6
67.05167	6.0
67.05503	72.6
69.03076	5.2
69.03428	67.7
69.07075	23.8
70.17916	9.9
70.18333	4.9
71.01350	5.0
71.05002	17.8
71.58206	3.0
73.02908	4.2
79.05492	63.3
81.03416	76.6
81.07054	100.0
83.04982	48.5
83.08641	14.9
85.02907	23.2
85.06531	11.7
87.04453	4.5
91.05477	51.8
93.07040	60.2
95.04957	22.3
95.08605	89.3
97.02898	28.3
97.06528	32.5
97.10162	8.5
98.21353	3.1
99.04465	18.4
99.08118	4.6
103.03947	4.7
103.05461	4.6
105.07030	66.4
107.04933	8.1
107.08593	32.1
109.02863	11.2
109.06503	22.8
109.10154	22.2
111.04424	12.7
111.08081	6.4
115.03948	7.2
115.05475	3.7
117.07040	18.7
119.08573	51.1
121.06474	17.5
121.10157	14.4
123.04401	7.3
123.08038	17.2
125.02275	3.3
125.05992	4.8
125.09596	8.1
127.01836	2.8
127.03918	18.7
127.43245	3.0
128.06219	6.3
129.06995	13.1
131.08572	22.3
133.06494	12.5
133.10112	27.9
135.08051	16.6
135.11665	9.6
137.06003	3.0
137.09590	10.6
137.13243	4.4
141.07045	3.2
143.08557	13.0
145.06503	4.6
145.10086	14.3
147.08035	9.5
147.11656	10.2
149.05966	5.2
149.09673	4.9
149.13307	6.2
151.07541	44.2
155.08496	5.0
157.06508	5.0
157.10141	9.5
159.08035	7.5
159.11662	12.1
161.09569	5.4
161.13232	30.6
163.07550	4.4
163.14909	3.2
165.09084	4.8
167.07013	4.6
171.11635	6.4
173.09625	6.2
173.11734	10.2
173.13272	13.1
175.07582	4.1
177.12741	6.4
179.14310	21.4
183.11676	6.0
185.13268	6.5
187.11099	3.0
189.09116	4.8
189.12790	10.1
191.14299	5.5
195.13847	3.8
197.13240	5.8
201.12700	4.9
203.14400	3.7
207.13779	12.5
209.13474	3.1
209.15353	15.7
219.13753	9.5
221.15303	6.5
223.16905	6.5
225.14835	17.9
233.15250	5.0
237.14851	23.3
241.15903	6.1
243.10146	12.7
249.14864	5.8
251.16408	17.5
259.16849	5.1
263.16360	16.5
269.15369	6.3
275.16357	7.6
277.17996	10.6
287.16434	27.0
293.17389	8.1
305.17447	56.0
323.18558	89.8
324.18564	3.8
341.19476	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01868	10.6
55.05509	26.4
56.96567	5.5
57.03431	12.1
57.07077	5.0
61.02939	3.2
65.03946	2.9
67.05161	6.0
67.05502	66.8
67.59334	3.4
67.66748	2.7
69.03428	57.3
69.06735	3.8
69.07053	23.9
69.97574	9.5
69.97971	6.7
71.01335	5.0
71.04993	17.1
73.02914	5.2
79.05486	55.5
81.03410	61.7
81.07056	100.0
83.04977	42.0
83.08626	18.8
85.02904	17.1
85.06547	9.1
87.04482	4.2
91.05473	56.4
93.07040	61.0
95.04948	26.0
95.08605	67.2
97.02881	34.1
97.06526	34.5
97.10158	7.8
98.20839	4.4
99.04469	10.6
99.08054	5.7
103.05466	4.4
105.07026	48.0
107.04956	8.6
107.08610	32.0
109.02887	11.2
109.06512	24.0
109.10167	22.4
111.04434	6.2
111.08080	7.3
116.17101	3.1
117.07037	18.2
119.08580	38.1
121.05751	3.2
121.06470	16.0
121.10142	22.1
123.08094	12.4
125.06053	4.7
125.09634	9.0
127.03905	17.4
128.06197	8.1
129.07018	13.3
131.08559	23.3
133.06493	12.6
133.10127	27.0
135.08078	14.2
135.11690	10.5
137.05934	7.0
137.09607	8.0
138.86754	3.0
139.07574	3.7
141.07014	4.3
143.08578	14.7
145.06546	4.9
145.10136	11.8
147.08052	11.0
147.11688	12.9
149.06013	6.7
149.09587	5.5
149.13263	6.6
151.07562	33.5
153.07089	4.8
153.09140	5.4
155.08530	6.5
157.10156	8.5
159.08037	8.7
159.11688	11.3
161.05963	5.6
161.09569	7.0
161.13220	25.8
163.07492	3.7
167.08534	4.0
169.10123	3.3
171.11682	8.6
173.09700	3.7
173.11746	9.0
173.13266	11.2
175.07571	6.4
175.14790	4.4
177.12761	4.9
179.10881	3.2
179.14328	14.3
183.11664	4.3
185.09679	3.3
185.13310	5.3
189.09044	4.4
189.12732	3.3
191.14384	8.0
197.13284	6.1
200.44690	3.6
201.12819	3.8
203.14476	3.5
203.41502	3.2
207.13852	9.1
209.15401	13.7
215.14360	3.7
219.13794	9.9
221.15334	7.4
223.16971	5.9
225.14847	6.3
227.14375	3.7
233.15326	6.8
237.14900	14.1
245.15541	3.8
249.14821	6.4
251.16444	13.2
259.17020	3.8
263.16510	13.7
269.15356	4.7
275.16284	4.3
277.18011	8.8
287.16425	14.1
293.17548	8.8
305.17477	45.2
323.18488	63.2
341.19885	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	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.9
55.01859	14.8
55.05509	41.2
56.96569	8.0
57.03431	9.6
59.04977	4.7
65.03913	5.1
67.05163	5.7
67.05500	66.8
67.33517	3.4
68.99786	3.1
69.03073	4.6
69.03426	62.1
69.07062	29.5
69.98244	14.6
71.01353	8.8
71.04996	23.7
73.02898	3.7
74.88964	3.0
75.75543	2.7
79.05058	4.2
79.05492	56.6
81.02977	6.1
81.03416	80.9
81.07050	100.0
83.04980	42.4
83.08596	17.5
85.02901	22.1
85.06537	6.7
91.05466	56.2
93.07037	55.1
95.01292	4.9
95.04973	24.9
95.08604	78.4
97.02882	35.5
97.06545	31.2
97.10165	7.1
99.04446	14.6
99.08058	5.8
100.27318	3.4
103.05436	4.6
105.07024	56.5
107.04958	14.0
107.08605	35.1
109.02873	19.4
109.06510	26.9
109.10164	25.6
111.04424	7.6
111.08067	13.8
113.06038	3.9
115.03911	4.9
115.05478	5.6
117.07000	21.9
119.08575	48.1
121.06475	20.2
121.10123	13.0
123.04420	3.4
123.08075	20.8
123.08787	3.9
123.11667	4.6
125.06009	4.8
125.09632	6.0
127.03906	25.4
128.06210	4.5
129.06993	10.4
131.08568	25.0
133.06525	14.7
133.10126	28.7
135.08049	20.0
135.11674	11.4
137.05954	7.0
137.09575	9.9
139.07516	4.9
141.06956	5.4
141.09137	3.3
142.07791	3.4
143.08553	12.2
145.06497	5.6
145.10114	13.7
147.08023	9.4
147.11694	11.4
148.90025	3.2
149.05969	7.3
149.09624	5.9
149.13306	4.6
151.07532	39.5
155.08568	5.5
157.10097	6.9
159.08029	7.1
159.11688	14.6
161.05991	4.4
161.09576	7.1
161.13261	31.0
163.07527	4.4
168.09441	3.0
171.08075	3.5
171.11690	6.2
173.09584	5.9
173.11719	12.4
173.13290	8.9
175.07550	4.5
177.12769	8.6
179.12643	5.4
179.14290	15.6
181.10103	3.6
183.11674	5.1
185.13252	6.7
187.11130	3.1
187.14680	4.1
189.12704	7.6
197.13199	4.5
203.10817	4.0
203.14256	4.8
207.13766	12.8
209.13542	3.9
209.15370	13.1
217.15784	3.8
219.13866	6.2
221.15358	7.0
223.16919	4.1
225.14830	15.7
227.14218	3.4
231.13972	3.9
233.15334	6.0
235.16815	4.2
237.14819	22.7
241.15775	3.4
243.10089	7.2
245.15269	5.5
249.14963	3.5
251.16539	16.6
261.14664	5.7
263.16440	11.9
269.12192	3.4
269.15268	4.4
270.12411	5.4
275.16440	5.8
277.17993	6.9
281.17752	3.6
287.16345	16.4
293.17398	10.4
305.17413	51.7
323.18466	65.6
341.19733	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.5
55.01864	11.3
55.05508	30.0
55.41290	3.7
56.96292	4.4
56.96562	76.4
57.03420	7.5
57.07066	3.2
65.03924	3.9
67.05503	64.4
69.03075	4.6
69.03426	62.3
69.07066	19.7
71.01328	6.1
71.05000	22.1
71.12547	8.5
73.02914	4.0
79.05488	53.6
81.03414	85.7
81.07052	100.0
83.04971	41.4
83.08624	20.3
84.96059	3.7
85.02894	19.5
85.06531	11.6
87.04459	6.1
91.05466	43.8
93.07032	52.1
95.04953	29.7
95.08605	88.2
96.99252	3.3
97.02893	26.6
97.06509	34.2
97.10171	8.4
98.97568	3.4
99.04438	11.8
99.08085	3.5
103.05470	3.0
105.07020	54.0
107.04935	9.0
107.08599	24.2
109.02858	21.4
109.06499	25.5
109.10156	26.3
111.04451	4.7
111.08095	7.5
115.03900	4.3
115.05442	4.0
117.07031	24.2
119.08576	47.1
121.06493	16.7
121.10130	17.8
123.04434	7.5
123.08053	13.6
125.05988	3.7
125.09616	8.3
126.54510	3.1
127.03915	26.6
128.06221	3.5
129.06976	10.6
131.08553	23.2
133.06497	13.9
133.10124	18.3
135.08038	13.6
135.11674	12.1
137.05968	5.8
137.09624	6.7
139.07491	3.5
141.06989	3.9
143.08563	9.7
145.06450	5.8
145.10098	12.0
147.08046	12.4
147.11671	8.4
149.05945	7.0
149.09604	5.5
149.13269	6.7
151.07538	38.7
155.08521	8.3
157.06470	2.9
157.10088	8.7
159.08154	4.4
159.11693	7.7
161.09595	9.4
161.13258	28.0
163.07686	3.5
163.14870	3.3
165.12712	3.2
169.10092	5.3
171.08128	5.1
171.11562	6.0
173.01236	9.6
173.11705	9.7
173.13275	10.0
177.12697	7.7
179.14305	12.5
180.14310	2.9
185.09543	7.1
185.13200	4.6
189.11206	3.8
189.12773	4.8
191.02281	8.7
191.14255	6.7
195.13762	4.2
201.12711	6.2
207.13864	5.2
209.15355	13.8
213.12682	4.2
214.16759	3.0
218.10794	4.3
219.13806	8.5
221.15306	6.8
223.16925	7.1
225.14896	14.7
229.09148	4.1
231.10565	3.1
231.13710	3.6
233.04970	4.5
233.15393	6.1
235.06454	4.4
235.16911	4.3
237.14862	21.3
243.13872	4.5
245.08469	9.0
245.15442	4.0
247.10011	9.7
249.11647	4.5
249.14821	5.9
251.16475	16.7
251.18707	4.6
257.08350	4.6
259.06296	5.7
263.09644	3.4
263.16458	13.4
269.15363	4.2
273.07941	6.4
275.09503	15.6
275.16452	6.2
277.07428	3.5
277.18030	8.4
287.16415	26.3
291.08994	5.9
293.10556	43.1
293.17490	6.2
301.07367	5.2
305.17410	43.6
309.10309	5.8
311.11630	41.9
319.08502	40.4
323.18527	60.9
325.13400	3.0
337.09555	62.5
341.19687	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
54.09837	2.0
55.01878	13.4
55.05301	2.2
55.05514	28.6
55.83355	2.0
56.81156	2.1
56.96556	2.6
57.03428	6.7
57.07075	2.7
65.03928	3.6
67.05503	69.1
68.99786	3.0
69.03428	60.5
69.07072	25.4
69.85980	1.8
69.97586	7.4
69.98000	4.8
71.01353	4.7
71.04996	21.3
73.02903	3.5
73.50159	2.0
79.05492	62.2
81.03418	92.6
81.07059	100.0
83.04979	40.5
83.08632	18.6
85.02909	24.3
85.06543	12.1
87.04454	2.8
91.05482	57.1
93.07044	62.4
95.01359	5.4
95.04955	30.2
95.08605	76.1
97.02888	34.1
97.06531	32.8
97.10156	9.7
99.04444	14.2
99.08079	7.3
103.03915	2.7
103.05470	2.9
105.07027	62.4
107.04948	10.6
107.08590	31.2
109.02874	18.4
109.06515	25.1
109.10140	22.0
111.04461	10.0
111.08082	10.1
113.05994	3.0
113.09671	2.0
115.03920	5.7
115.05419	4.1
116.98608	2.1
117.07024	22.8
119.04935	4.1
119.07774	3.9
119.08577	47.0
121.06497	22.3
121.10130	16.7
123.04415	3.5
123.08075	22.3
123.11697	2.2
125.02367	3.1
125.05977	7.6
125.09615	5.4
127.03925	25.4
128.06218	3.8
129.05533	2.4
129.07007	11.6
130.07727	2.6
131.04886	3.7
131.08571	25.2
133.06511	15.5
133.10124	21.8
135.08073	18.3
135.11665	11.2
137.05948	4.8
137.09607	9.3
137.13254	2.5
139.07523	5.1
141.07033	4.1
142.07831	2.8
143.08565	12.2
145.04884	2.3
145.06499	6.0
145.10138	14.9
147.08051	9.8
147.11679	12.5
149.05971	9.1
149.09650	6.5
149.13239	6.9
151.07542	41.0
153.09105	2.7
155.08566	6.8
155.10661	4.2
157.06487	2.3
157.10107	8.7
159.08032	7.4
159.11700	11.2
161.05893	2.0
161.09596	7.5
161.13268	30.3
163.07521	6.4
163.11186	3.0
165.09143	3.4
167.08485	3.3
169.08617	3.3
171.08040	3.5
171.11716	6.1
173.09657	3.6
173.11732	7.1
173.13287	8.2
175.07533	2.7
175.11211	5.1
175.14857	5.1
177.09152	2.6
177.12747	5.8
179.14307	14.2
183.11722	4.1
185.09567	4.7
185.13245	5.1
187.11270	2.9
189.09126	4.9
189.11076	3.2
189.12712	5.0
191.14313	6.0
195.11859	2.4
195.13770	4.0
199.11014	2.5
201.12791	5.2
203.14314	2.9
205.15799	2.9
207.13857	8.0
209.13472	2.3
209.15306	11.0
217.15941	2.5
219.13812	8.7
221.15405	7.3
223.16925	4.3
225.14830	13.1
227.14352	3.0
231.13835	2.5
233.15419	5.6
235.16864	4.2
237.14835	20.7
245.15344	4.5
249.14850	5.6
251.16402	18.5
257.15323	3.4
259.16891	4.6
261.14795	2.4
263.16394	13.5
269.15356	5.1
270.56335	2.5
275.16431	5.1
277.17923	11.6
287.16403	21.1
293.17484	6.5
295.19104	2.4
305.17465	55.0
323.18524	74.5
341.19504	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.7
55.01867	12.7
55.05514	34.9
56.96560	16.0
57.03422	8.5
57.07069	3.7
65.03924	3.4
67.05502	67.1
69.03069	4.4
69.03427	68.2
69.06769	2.7
69.07069	30.3
70.58846	5.4
71.01337	7.6
71.04989	25.7
73.02910	3.9
77.03235	2.8
79.05064	3.5
79.05490	59.9
81.03419	91.8
81.07056	100.0
83.04981	43.1
83.08617	15.5
85.02900	23.0
85.06522	8.7
87.04468	3.9
91.05473	53.8
93.07037	66.6
93.07613	3.7
95.01305	5.1
95.04967	29.9
95.08607	89.0
97.02896	30.9
97.06528	39.6
97.10167	7.6
98.97581	4.7
99.04434	15.6
99.08080	4.9
103.03931	5.6
103.05454	5.5
105.07031	58.5
107.04948	9.7
107.08603	34.1
109.02892	20.6
109.06525	28.0
109.10165	20.0
111.04430	9.7
111.08089	11.6
116.98642	6.2
117.07014	21.4
119.04894	3.2
119.08575	40.6
121.06516	26.0
121.10157	17.4
123.04414	3.5
123.08048	20.1
123.11677	2.8
125.05988	4.3
125.09618	3.4
127.03902	26.6
128.06244	7.1
129.05522	3.0
129.07002	13.7
130.07813	2.7
131.04970	3.1
131.08580	23.9
133.06465	14.9
133.10126	24.6
134.99615	7.2
135.08058	13.9
135.11708	12.9
137.05948	6.5
137.09628	8.6
137.13228	6.8
139.07571	3.1
141.06969	5.4
142.07831	3.8
143.08577	12.3
145.06470	5.1
145.10121	15.7
147.08035	9.7
147.11684	11.5
149.05980	8.2
149.09657	7.0
149.13297	6.3
151.07553	42.9
153.09131	3.1
155.08586	7.3
157.10101	6.4
159.08049	6.9
159.11699	10.7
161.06017	4.1
161.09621	7.8
161.13257	28.5
163.07513	7.1
163.11243	3.6
169.01749	3.3
169.08704	4.1
169.10068	4.5
171.08119	6.7
171.11699	8.3
173.09555	3.1
173.11748	7.6
173.13235	9.4
175.07539	4.2
177.09160	3.8
177.12738	8.4
179.14253	13.4
181.10095	3.9
183.11646	2.6
185.09622	2.6
185.13234	7.2
187.07655	3.1
187.11182	3.9
189.11235	2.7
189.12787	5.9
191.14302	4.2
193.12373	3.2
195.11777	4.1
195.13704	3.3
199.14789	4.3
201.12740	4.7
203.10786	3.4
203.14247	2.9
207.11906	2.8
207.13777	10.6
209.15265	12.1
215.14359	4.1
219.13762	7.3
221.15393	5.5
223.16968	5.1
225.14850	15.6
233.15359	3.4
235.16945	4.8
237.14862	19.2
241.15715	2.6
243.13718	2.8
245.15474	5.9
249.14885	5.4
251.16393	17.4
255.08974	6.7
257.15533	3.6
259.17035	7.1
263.16440	10.7
267.09027	3.2
269.15433	6.7
275.16370	7.6
277.18036	9.6
281.10635	13.0
285.10120	2.7
287.16409	22.1
293.17496	7.6
299.11661	30.8
300.12094	3.5
305.17426	54.2
323.18512	66.9
341.13474	4.6
341.19717	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	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
54.68556	4.1
55.01866	7.3
55.05508	34.0
56.96542	6.3
57.03440	12.6
62.20268	4.6
65.03913	5.2
67.05503	62.1
68.58190	4.0
69.03431	59.1
69.07069	30.7
69.84499	4.6
70.23737	20.2
71.01354	7.7
71.04998	22.2
78.02096	4.8
78.77595	4.4
79.05502	51.4
81.03419	77.3
81.07059	100.0
83.04980	42.6
83.08614	20.7
85.02896	18.9
85.06583	5.1
91.05467	64.2
91.36424	4.9
93.07038	59.1
95.01320	7.3
95.04977	30.6
95.08611	73.7
97.02889	30.2
97.06530	32.2
97.10168	7.4
99.04454	9.8
99.08125	7.8
105.07023	52.9
107.04967	10.6
107.08572	30.1
109.02861	16.5
109.06502	15.5
109.10159	20.0
111.04425	8.8
111.08071	10.8
117.07012	22.1
119.08585	41.7
121.06487	15.8
121.10126	15.0
123.08066	15.6
125.05971	6.6
125.09632	6.2
127.03899	19.5
129.07005	12.5
131.08583	25.9
133.06491	14.9
133.10144	24.8
135.08086	16.0
135.11703	13.4
137.09564	4.9
139.07507	7.0
142.07739	6.1
143.08575	13.2
145.06506	5.0
145.10123	20.4
147.08022	8.4
147.11696	12.5
149.02332	27.8
149.06030	10.3
151.07542	40.5
155.08548	8.0
157.10117	12.6
159.11736	15.3
161.09688	7.5
161.13213	31.1
161.47124	4.9
169.10155	5.8
171.11711	12.9
173.09669	6.2
173.11777	9.7
173.13263	13.0
175.07605	6.6
175.11223	5.1
175.14885	8.2
177.12695	10.3
179.14310	16.9
183.11670	5.6
185.13245	8.4
191.14261	7.1
193.05013	15.0
197.13313	6.2
201.12817	5.7
207.13844	7.2
209.15385	14.9
211.15094	5.4
213.16258	5.5
215.14577	4.8
219.13844	9.9
221.15401	7.4
225.14813	13.7
233.15469	6.4
237.14803	20.9
249.15007	7.8
251.16487	13.7
263.16553	8.0
269.15677	6.5
277.17969	11.7
287.16458	18.6
292.97653	4.6
293.17621	8.7
305.17419	47.3
323.18481	69.7
341.20663	23.2
341.28589	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47770	1.6
53.03944	13.5
53.06743	2.1
53.77944	1.8
55.01872	13.1
55.05511	35.3
57.03431	9.0
57.07068	3.0
62.03117	1.6
65.03959	3.3
67.05503	64.1
68.99795	2.4
69.03069	3.8
69.03427	61.6
69.07069	21.6
69.97656	9.3
71.01354	3.5
71.04988	19.4
73.02910	4.2
79.05489	56.1
81.03416	100.0
81.07055	88.7
83.04980	40.1
83.08615	22.5
85.02908	19.9
85.06547	7.2
87.04479	2.8
91.05477	50.2
93.07038	61.9
95.01310	3.2
95.04965	34.9
95.08600	72.4
97.02894	29.0
97.06523	31.8
97.10189	4.5
99.04458	13.9
99.08102	6.7
103.03971	1.8
103.05465	5.6
105.07030	50.6
105.48467	2.0
106.20773	2.0
107.04945	9.8
107.08593	29.9
109.02871	24.9
109.06526	22.7
109.10165	17.2
111.04446	5.7
111.08072	10.9
113.09662	3.7
115.03926	3.8
115.05463	4.2
116.98587	2.3
117.07020	17.7
119.08582	38.8
121.06503	19.0
121.10152	14.9
123.04428	3.9
123.08082	13.9
123.11718	2.1
125.05996	2.6
125.09627	5.4
127.03917	25.3
128.06212	5.6
129.06979	12.2
131.04889	2.2
131.08556	23.2
133.06517	13.6
133.10120	23.7
135.08061	13.1
135.11716	10.1
137.06000	3.5
137.09619	7.3
137.13232	4.5
139.07532	3.5
141.07008	5.6
142.07733	3.7
143.08548	12.9
144.09293	2.0
145.06483	7.2
145.10097	17.4
147.08058	7.6
147.11694	8.7
149.02333	1.9
149.06023	6.3
149.09625	6.2
149.13327	3.6
151.07545	35.3
151.11159	2.7
151.54689	2.2
153.09132	3.5
153.76266	2.0
154.98430	2.4
155.08594	4.6
155.10605	2.6
157.10132	10.2
159.08104	9.0
159.11671	15.3
161.05946	2.7
161.09639	8.2
161.13248	31.0
163.07527	5.3
165.09117	2.4
169.10135	7.0
171.08063	3.7
171.11714	8.6
173.09602	6.1
173.11755	10.3
173.13292	7.9
175.07617	2.5
177.09126	2.1
177.12723	5.8
179.14343	12.6
180.71495	1.7
181.10109	2.5
183.11739	5.3
185.09569	2.2
185.13303	4.5
187.11195	2.2
189.12729	7.1
191.14284	5.2
191.70660	2.3
193.05049	2.3
195.11818	3.8
195.13818	4.0
197.13153	2.4
199.15021	2.3
201.12776	5.2
203.14359	4.6
205.15877	2.2
207.13828	6.0
209.13475	2.6
209.15277	10.2
213.12822	3.2
215.14316	2.3
219.13811	6.6
221.15408	5.9
223.16899	2.9
225.14780	10.4
233.15364	4.0
235.17062	2.6
237.14775	16.3
239.16406	3.1
245.15350	3.5
249.15070	3.4
251.16408	17.0
254.11063	1.9
259.16913	5.5
261.14993	3.4
263.16452	12.0
267.15961	4.6
269.15277	3.1
275.16473	3.2
277.18094	9.7
281.17215	2.1
287.16434	17.0
293.17477	4.0
299.19919	2.2
305.17493	43.7
306.17780	3.1
323.18518	57.4
324.19003	3.4
341.19955	18.3
341.24930	2.2
347.62454	2.4
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	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
56.96552	3.1
67.05496	4.2
71.37798	2.3
79.05463	4.8
81.07040	6.3
91.05464	5.5
93.07049	4.4
94.04165	3.9
95.04952	2.2
95.08611	3.4
98.97565	1.7
105.07029	9.6
107.08607	2.9
109.06507	2.2
109.10174	2.3
115.05453	5.1
117.06996	3.0
119.04932	2.0
119.08570	5.7
121.10055	2.0
121.60506	1.3
122.03635	8.4
128.06215	3.7
129.06973	3.7
131.08562	1.9
132.05698	2.5
133.06462	5.1
134.99602	1.6
137.05975	100.0
141.06929	2.0
145.06516	2.4
146.03577	1.3
147.04431	4.0
147.08003	5.7
149.05928	1.7
151.03809	1.9
151.07535	2.4
159.11661	2.0
160.05261	2.3
161.06001	13.6
172.05054	1.6
175.07564	39.7
177.06871	1.3
187.07570	11.2
189.06998	1.7
189.09099	1.6
190.07747	3.7
191.08527	5.0
199.07529	7.6
202.07816	3.4
203.08575	6.2
207.07977	1.9
218.07133	1.9
219.07979	10.8
220.08788	2.7
221.09344	1.7
231.08116	6.5
236.08313	2.1
247.07481	3.8
248.08267	4.7
251.10713	12.2
259.07629	3.6
263.10641	4.6
265.08731	1.8
276.07767	2.3
277.08728	3.0
279.10107	8.1
291.10132	5.2
292.10913	2.6
309.11374	1.8
311.12756	11.5
323.12717	3.7
341.13791	5.7
341.24875	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.69590	0.7
53.03932	1.0
55.01862	1.3
55.05503	1.4
56.96555	2.8
57.07055	0.8
64.65852	0.8
65.03941	1.5
67.05489	3.0
67.93850	0.7
67.97536	0.8
69.03430	16.6
69.07057	1.3
69.53499	4.8
69.53917	1.8
70.06593	0.8
71.04696	0.7
71.05000	6.3
79.05486	4.2
81.03407	3.4
81.07054	5.4
83.04977	0.8
85.02901	0.8
86.69884	0.7
89.03941	0.9
91.05484	5.7
93.07034	3.4
94.04192	2.4
95.04965	4.1
95.08594	3.2
97.02915	1.1
103.05439	1.3
105.07011	4.1
106.52267	0.8
107.04935	2.4
109.02863	1.6
109.06498	3.3
109.10090	1.0
111.04421	2.3
112.67307	0.8
115.05439	1.8
117.06970	2.3
119.04942	3.3
119.08588	2.8
121.01077	2.2
121.06527	1.1
121.10094	1.2
121.60020	0.6
122.03639	7.9
123.04423	0.8
124.01416	0.7
127.03923	4.5
128.06216	1.1
129.06984	6.8
131.04941	3.1
131.08551	2.0
133.02835	5.7
133.10117	1.9
134.99658	0.8
135.11795	0.8
137.05980	100.0
138.06290	1.2
143.04921	1.0
143.08630	0.9
144.05684	2.9
145.06470	2.6
146.07184	1.0
147.04416	6.4
147.08005	1.1
149.00563	3.3
149.06029	5.4
151.03874	3.5
151.07559	7.3
153.01830	7.2
153.05473	1.8
153.06960	0.8
154.24136	1.0
157.06525	6.4
159.07977	1.0
160.05217	4.8
161.05963	2.2
161.09543	2.2
161.13287	1.6
162.06770	0.9
163.07541	3.1
164.04640	1.1
165.05547	5.3
165.06810	1.5
167.06984	0.9
168.05699	1.6
171.08028	1.1
172.05179	4.8
174.06758	9.6
175.07555	20.7
177.05493	7.9
177.09103	3.1
179.07056	4.1
179.08487	1.0
181.06505	1.5
184.05115	1.0
185.05972	1.3
187.07549	31.4
188.08099	1.2
189.09105	11.7
190.03217	5.2
190.07764	0.9
191.07028	1.3
191.08557	2.7
193.10112	1.3
196.05229	5.6
197.05971	2.6
199.07529	3.7
201.04364	1.0
202.07805	4.0
203.08542	13.3
205.06476	3.4
205.08496	2.2
207.08023	1.0
211.07544	20.7
212.04736	1.9
213.05409	3.5
216.04260	0.8
217.08611	13.2
218.07286	0.9
219.05736	1.2
219.08026	9.5
220.08873	5.9
221.06049	0.9
221.09549	1.4
221.86420	0.8
224.08505	1.0
225.05463	2.2
225.09227	1.3
227.07054	14.6
228.07748	2.5
231.08014	15.1
232.08815	3.2
233.05914	2.7
233.09537	2.2
234.06653	1.9
235.07549	2.4
236.08498	1.6
237.05492	1.2
237.09079	2.1
238.09901	0.9
239.07043	14.4
240.07819	13.2
241.04890	1.8
241.08630	2.1
243.10176	1.6
247.07481	5.4
248.08339	22.6
249.05611	0.8
249.09015	4.2
250.06331	1.9
251.10696	4.4
253.08562	1.9
253.12306	1.3
254.09358	1.4
255.06503	13.2
256.07306	10.3
259.07581	6.0
260.08383	3.2
261.05496	1.3
261.09027	2.5
262.09970	1.8
263.07111	2.3
263.10648	19.7
264.07849	3.4
265.08612	6.1
267.10266	0.9
268.07278	3.5
269.08084	1.8
270.08862	29.8
271.09647	46.3
272.10077	1.2
276.07813	11.5
277.08627	5.7
278.09650	0.9
279.10193	10.1
280.10837	2.0
281.08011	1.2
281.11752	2.9
283.09653	13.7
284.10080	1.3
285.11221	0.9
291.10153	59.2
292.10757	5.9
293.08170	5.6
293.11206	1.2
294.08612	1.3
295.09305	1.2
296.10422	4.9
297.11172	4.7
305.11649	1.2
307.09631	1.3
308.10413	8.5
309.07202	1.5
309.10977	1.5
311.09491	1.2
311.12793	10.3
313.14246	2.8
323.12756	38.8
341.10385	1.0
341.13699	24.8
341.20242	4.1
342.04294	41.8
359.17416	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
56.55683	0.9
61.48128	0.9
65.03933	1.6
67.05495	1.5
68.07788	0.9
69.03430	1.7
71.00983	0.9
71.33812	1.7
77.03922	1.1
79.05496	4.9
81.07032	2.5
91.05478	14.7
93.07034	2.6
94.04186	2.4
95.04974	2.1
95.08616	1.6
100.11247	1.5
103.05479	7.1
105.03367	2.1
105.07030	20.5
107.04960	2.2
107.08594	1.7
109.06487	2.7
115.05461	7.5
117.06992	4.2
118.04167	1.7
119.01884	1.0
119.04932	8.8
119.08624	5.1
121.06478	3.1
121.10072	1.1
122.03645	7.2
125.05783	0.9
128.06215	2.1
129.07001	6.7
131.04926	4.4
131.08534	1.3
132.05692	4.2
133.06494	15.7
135.04414	1.0
136.08882	1.0
137.05974	100.0
138.06323	1.2
143.04872	1.4
144.05658	0.9
145.06477	2.1
145.10152	1.3
146.03496	1.1
147.04424	8.8
147.08031	7.3
147.11668	1.2
149.06006	2.3
151.07536	4.2
155.04936	1.0
156.05704	1.1
157.06499	2.2
158.07184	0.9
159.06854	1.2
159.08011	6.2
159.11682	1.2
160.05214	4.2
161.05977	34.4
162.06735	2.2
162.87923	0.8
163.07550	1.4
165.07013	1.6
171.07985	1.8
172.05199	6.0
172.08812	3.4
173.09621	2.1
175.07545	49.4
177.09137	2.6
179.07001	2.1
179.08481	1.5
185.05977	2.3
186.10431	1.4
187.05901	1.4
187.07553	24.1
189.07086	1.1
189.09084	2.8
190.07788	3.6
191.08585	7.8
197.09634	2.4
199.07516	3.9
202.07774	3.3
203.08624	5.6
205.06490	1.6
207.08080	1.7
210.15048	1.0
213.09258	1.2
215.10658	2.6
217.08621	4.7
218.07176	2.3
219.08022	13.3
220.08742	2.2
222.06741	1.3
225.09131	1.8
230.07442	1.4
231.07986	8.3
235.07607	1.7
236.08318	3.0
237.09067	1.7
243.10178	36.9
244.10550	1.3
247.07559	6.1
248.08269	4.7
249.09018	1.2
251.10690	12.0
259.07520	3.9
260.08167	1.4
261.11215	3.0
263.06873	1.6
263.10620	4.9
264.07938	1.7
265.08575	2.4
276.07806	2.3
279.10150	11.0
281.08331	1.2
291.10144	9.6
296.10660	1.1
297.11142	1.3
308.10123	1.5
309.11169	19.7
311.12729	13.5
313.14392	1.1
323.12772	10.8
341.06787	1.5
341.10477	1.1
341.13873	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	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
56.96558	1.1
58.03938	0.4
59.93855	0.4
65.03893	0.4
65.74389	0.4
66.04706	0.4
67.05481	0.8
69.03420	0.8
70.46182	0.4
70.89590	1.2
79.05476	2.3
81.07050	1.3
85.02879	0.5
86.09682	0.6
91.05469	4.6
91.97523	0.4
93.07047	0.7
94.04177	3.3
95.04956	1.1
95.08604	0.8
103.05455	2.3
104.06252	0.5
105.07026	6.0
107.04957	1.5
107.08593	0.8
109.06519	2.5
115.05427	3.9
117.07017	2.3
118.04166	0.6
119.04929	0.9
119.08586	3.8
119.92387	0.4
121.06513	1.3
122.03646	8.0
123.04487	0.5
128.06258	2.5
129.07011	3.3
131.04945	2.2
131.08580	0.5
132.05695	3.1
133.06490	4.0
137.05978	100.0
138.06320	1.2
143.04883	0.7
144.05672	0.9
145.06464	2.2
146.03622	0.9
147.04424	2.6
147.08055	5.2
149.05968	2.1
151.03880	0.4
151.07539	0.8
155.04886	1.0
155.06007	0.5
156.05708	0.8
157.06546	1.1
159.04466	0.5
159.08046	2.5
160.05185	2.3
161.04645	0.7
161.05984	12.4
161.09570	0.4
162.06726	0.9
163.07491	0.9
165.06999	1.1
167.07040	1.1
168.08014	0.4
171.08037	1.0
172.05202	1.3
172.58876	0.4
174.06767	0.5
175.07552	40.5
177.05460	0.7
177.09094	1.7
178.07709	0.5
179.07257	0.5
179.08694	0.6
181.06479	0.6
183.15726	0.5
184.05215	1.2
185.05853	0.9
187.07542	9.6
187.09161	0.7
189.07018	1.2
189.09087	1.2
190.07791	4.0
191.06929	0.6
191.08551	7.6
192.09143	0.9
195.08058	0.5
199.07559	7.6
202.07762	4.7
203.06720	0.7
203.08560	6.9
204.09315	0.5
205.06499	1.0
207.08075	1.0
208.08830	1.0
211.15303	0.4
217.08562	2.7
218.07213	2.2
219.08041	11.2
220.08821	3.1
221.06052	0.7
221.09578	1.2
231.08069	6.3
232.08894	1.9
233.06120	0.5
234.06670	0.5
235.07535	1.2
235.11015	0.7
236.08295	1.6
237.09090	1.2
246.06656	0.5
247.07544	4.4
248.08316	3.3
249.09009	2.1
251.10670	11.6
251.13271	0.7
253.08664	0.9
259.07535	3.6
260.08307	1.1
261.09094	1.3
263.07767	0.6
263.10709	2.9
264.07898	1.3
265.08594	1.4
266.09079	0.6
276.07837	1.6
277.08591	2.9
279.10172	10.5
280.10843	0.6
281.08142	0.6
291.10172	6.7
292.10938	3.8
293.08032	1.0
293.11166	0.5
295.09976	0.7
295.13394	1.7
296.10324	0.8
297.11166	0.7
308.10529	1.3
309.07858	0.6
309.11066	2.4
311.09207	0.7
311.12741	9.1
323.09253	0.8
323.12732	4.7
326.11121	0.6
341.09988	0.9
341.13696	5.5
341.17374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01868	1.9
55.05514	1.4
56.96552	2.1
57.03399	0.9
65.03944	1.3
65.67873	0.8
67.05502	2.1
69.03421	1.7
69.07072	1.7
69.27020	10.1
70.06570	1.6
71.04985	3.3
74.42531	0.9
79.05479	3.0
81.03371	1.4
81.07072	4.6
81.07454	0.8
83.04996	1.3
85.02891	1.2
86.09701	2.8
91.05457	7.7
93.07038	2.2
94.04177	1.9
95.04959	2.5
95.08585	2.0
97.02912	1.2
98.97561	0.9
100.11269	1.5
103.05456	3.2
105.03384	1.2
105.07024	6.0
107.04940	4.9
107.08595	1.4
109.02841	0.9
109.06505	3.4
111.04409	2.6
114.09168	1.5
115.05458	3.9
115.26968	1.0
117.07010	3.0
118.04183	0.9
119.04928	3.6
119.08566	3.9
121.06506	2.1
122.03655	7.7
123.04391	1.4
123.08038	1.1
124.05257	1.1
128.02580	0.9
128.06194	1.9
129.06987	5.9
130.04169	1.6
130.06526	46.6
131.04906	4.8
131.08568	1.9
132.05719	1.2
132.36333	1.0
133.02849	5.0
133.06480	3.6
135.04346	1.4
135.11723	1.1
137.05974	100.0
138.06291	1.3
139.03880	2.8
142.08679	1.3
143.08574	1.0
144.05695	2.2
145.06459	2.0
145.10089	1.2
146.03482	1.1
147.04417	6.3
147.08058	3.5
147.11734	1.1
149.05960	3.5
150.06758	2.1
151.03925	1.5
151.07523	3.0
153.05389	1.4
154.02565	0.8
157.06482	3.0
159.04404	2.7
159.08098	2.0
160.05219	3.9
161.05963	10.3
162.06734	6.5
163.07520	4.1
165.05528	2.2
165.06964	1.5
166.04997	6.9
167.05154	0.8
167.06969	1.3
171.07996	2.2
172.05215	2.8
174.06689	4.5
175.07542	26.3
177.05463	4.5
177.09091	2.3
179.03397	1.9
179.07031	3.0
183.15790	0.8
187.03906	2.9
187.07535	21.7
189.07164	2.0
189.09085	7.6
190.07848	1.4
191.07008	1.2
191.08554	3.5
193.14388	0.9
196.05188	2.5
199.07564	6.2
199.11205	1.0
202.07761	5.3
203.08556	9.9
205.06494	2.4
207.08099	1.9
208.08850	2.1
209.09393	1.1
211.07533	9.5
212.05664	5.6
213.05496	1.4
215.10640	1.3
217.08539	7.7
218.07210	1.1
219.08035	7.9
220.08855	4.4
221.05933	1.3
221.09596	1.8
223.07524	1.2
225.09288	1.2
226.92247	0.9
227.07011	5.6
228.07620	1.4
231.08070	9.8
232.08833	2.3
233.09689	1.1
235.07451	2.3
236.08273	2.6
237.09079	1.8
239.07024	6.8
240.07776	5.1
243.10110	2.9
247.07553	5.5
248.08339	13.4
249.05443	1.5
249.08971	2.6
250.06108	1.9
251.06975	1.4
251.10681	7.6
253.08611	2.4
255.06471	4.3
256.07266	3.6
259.07538	4.3
260.08301	2.5
261.09122	1.7
263.06989	2.5
263.10654	12.3
265.08545	3.8
268.07251	1.9
269.08249	1.6
270.08862	10.1
271.09616	17.6
276.07779	4.9
277.08569	5.6
277.37244	0.9
279.10205	9.0
281.08069	1.4
281.11557	1.6
283.09619	4.7
284.10391	2.3
291.10114	30.3
292.10754	3.9
293.08054	4.3
295.09662	2.3
295.13208	1.5
296.10443	3.6
297.11258	2.9
305.11795	1.6
308.10364	3.7
309.07648	2.3
309.11087	3.0
311.09375	1.8
311.12750	8.8
323.09491	1.4
323.12787	22.5
341.06461	1.5
341.10312	2.4
341.13818	18.2
341.26013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.6
56.96564	2.2
60.59869	1.2
67.02991	1.5
67.05489	3.6
69.27665	15.1
79.05479	3.2
81.07029	4.2
91.05467	6.1
93.07040	2.0
93.59540	1.3
94.04161	3.0
95.04951	1.7
95.08610	2.5
97.06494	1.5
105.07025	8.4
109.06513	2.0
115.05416	3.9
117.06963	2.2
118.53332	1.4
119.08538	4.7
121.06498	1.9
122.03671	8.8
123.08044	1.2
128.06226	2.2
129.06978	3.8
131.04915	1.8
131.08540	2.0
132.05679	4.5
133.06462	3.9
133.10098	1.9
137.05975	100.0
147.04373	2.6
147.08020	6.1
149.05994	1.6
155.04953	1.3
161.05949	9.4
175.07552	41.3
187.07506	9.5
189.09036	1.8
190.07841	3.8
191.08594	7.5
199.07474	7.4
202.07761	4.3
203.08530	4.3
217.08563	1.8
219.08029	9.9
220.08643	1.7
231.07982	7.3
232.08894	2.0
236.08400	1.7
247.07597	4.2
248.08347	3.3
251.10664	12.2
259.07675	2.9
260.08371	1.6
261.09000	1.6
263.10623	4.3
277.08566	3.3
279.10187	7.7
291.10107	6.0
292.10831	4.0
311.12769	9.2
323.12775	4.0
341.13818	2.2
341.20657	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.36308	0.9
55.05526	1.3
56.96569	1.6
59.71327	1.0
64.79431	1.0
67.05492	2.1
69.03415	1.6
69.07072	1.3
69.45786	9.1
69.75278	1.1
69.78353	1.0
70.06581	1.6
71.19370	0.9
79.05493	6.1
81.03411	1.5
81.07071	2.3
85.02902	2.1
86.09715	1.7
91.05474	10.0
93.07039	2.2
93.77605	1.1
94.04164	2.8
95.04948	2.1
97.02863	1.3
98.97605	1.2
103.05475	6.1
105.03388	1.4
105.07031	18.7
107.04920	3.1
109.02876	1.4
109.06521	2.3
115.05471	8.9
117.07018	3.1
118.04165	1.9
119.04961	7.8
119.08589	4.5
121.06512	2.9
122.03673	8.8
128.06248	2.8
129.07028	6.5
130.04184	2.3
131.04922	5.4
132.05684	4.5
133.02855	1.7
133.06497	14.7
137.05977	100.0
138.06343	1.4
140.14801	1.2
143.04913	2.3
144.05692	2.1
145.06465	2.3
145.10130	1.2
146.03572	2.1
147.04417	7.5
147.08076	5.3
149.05995	2.3
151.07544	4.6
156.05681	1.6
157.06537	2.0
159.08070	6.7
160.05214	4.0
161.05978	31.3
161.09602	1.1
162.06752	4.5
163.03902	3.7
163.07544	2.5
165.06938	1.1
167.07063	2.1
172.05222	5.7
175.07539	48.1
176.07924	1.2
177.05498	2.1
177.09065	2.5
179.07002	2.5
181.06509	1.4
187.05872	1.4
187.07553	28.7
189.07137	1.4
189.08974	2.5
190.07841	3.2
191.08582	8.5
199.07622	2.1
201.04222	1.0
202.07753	2.0
203.08604	5.8
203.10202	1.1
205.06483	1.1
217.08548	6.0
218.07248	2.6
219.08006	11.9
220.08754	2.8
221.05963	2.2
231.08066	4.5
232.46471	1.2
235.07568	1.4
236.08417	3.1
237.09065	1.9
247.07587	4.5
248.08368	3.5
249.09221	1.5
251.06949	1.3
251.10733	11.4
259.07590	3.3
261.08997	1.7
262.57178	1.1
263.10709	3.7
265.08521	2.2
270.09784	1.1
276.07800	1.7
278.09235	1.7
279.10199	8.6
280.10718	1.0
281.08148	3.5
281.11490	1.8
291.10147	9.1
295.13449	1.2
296.10352	1.4
309.11203	15.0
310.11893	1.1
311.12790	12.7
323.12729	10.3
341.10034	1.9
341.13782	18.4
341.19443	1.8
342.14478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03941	1.9
55.01865	3.0
55.05500	2.3
56.96562	3.8
57.03424	1.9
64.01019	1.3
67.05501	4.4
69.03430	4.0
69.07067	3.3
69.59133	8.3
69.69675	1.2
70.06591	3.9
71.04987	6.7
72.08142	2.0
73.02950	1.9
79.05489	4.6
81.03408	3.5
81.07063	6.6
83.04981	1.7
83.08624	1.5
84.04514	2.8
84.08164	2.1
85.02911	5.3
85.06544	1.5
86.09706	6.0
91.05481	6.3
93.07060	4.0
94.04188	2.0
95.04983	2.4
95.08597	3.2
97.02883	3.8
97.06543	2.0
100.11258	2.3
103.05475	4.1
105.07031	4.2
107.04973	4.1
107.08594	4.4
109.06522	4.1
110.07175	1.8
111.04443	3.0
115.05473	3.2
117.07014	4.2
119.04923	2.9
119.08570	3.3
120.08127	1.5
121.06530	3.0
121.10184	1.9
122.03638	9.4
123.08065	2.4
128.06253	1.7
129.07077	8.7
129.10185	1.8
130.04973	1.5
131.04936	5.3
132.05728	2.2
133.02843	5.3
133.06511	2.1
135.58755	1.7
137.05977	100.0
138.05434	2.3
143.04918	2.7
143.08568	1.6
144.05710	2.4
145.06464	3.9
146.03712	1.6
147.04466	2.5
149.05971	4.4
151.03947	3.7
151.07561	8.7
155.04965	1.7
155.08203	2.6
157.06496	6.1
157.10141	1.5
158.99614	1.6
160.05203	4.0
161.05981	7.5
161.09579	2.4
163.03967	2.4
163.07570	5.2
163.11243	1.8
165.05476	6.2
165.06856	1.4
167.07094	3.5
172.05264	5.8
174.06752	7.7
175.07552	17.4
177.05486	6.5
177.09143	3.8
179.07016	6.3
179.08421	1.7
179.10718	2.2
183.07831	1.4
185.06004	1.7
187.07550	32.9
189.09103	11.8
191.07025	2.6
191.08565	4.5
196.05225	5.0
197.06013	3.2
199.07707	2.4
202.07822	4.3
203.08580	14.5
205.06488	4.1
205.08559	2.6
208.08752	1.9
211.07527	19.8
213.05455	3.0
213.09021	1.8
217.08583	12.8
219.01912	1.5
219.08113	10.7
219.40280	1.5
220.08879	6.8
221.06041	2.3
221.09616	1.8
225.05573	1.9
227.07002	15.5
228.07706	2.3
231.08054	17.7
232.08798	3.2
233.06012	3.1
234.06807	2.9
235.07614	3.4
236.08362	3.9
237.09216	2.7
239.07063	12.3
240.07819	11.3
241.04962	2.4
241.08664	2.7
247.07550	5.6
248.08336	19.6
249.09059	3.8
251.10811	3.6
253.08583	3.0
255.06557	11.6
256.07358	6.6
259.07535	4.8
260.08502	4.4
261.09024	2.8
262.09888	2.8
263.10699	18.0
264.07895	3.4
265.08640	6.1
268.07288	4.4
270.08878	24.3
271.09644	39.4
276.07797	12.2
277.08627	7.2
279.10147	9.3
280.10773	2.9
281.08344	1.7
283.09589	9.5
291.10141	51.9
292.10791	4.4
293.08136	4.8
295.09882	2.8
296.10324	7.1
297.11060	3.2
305.11865	1.9
308.10233	7.2
309.11304	5.1
311.12802	10.4
313.14218	2.8
323.09259	3.0
323.12784	40.5
324.14401	1.8
341.09995	2.1
341.13776	26.0
342.14209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05482	1.4
56.96550	2.4
57.03405	1.8
59.04880	2.2
60.05635	5.2
65.03976	1.6
65.60854	1.7
69.03407	2.8
69.07059	2.8
70.06594	10.8
70.32347	1.5
70.55873	1.5
71.05000	3.1
71.17673	3.9
72.08144	10.2
73.06417	4.3
73.38712	1.5
79.05481	3.1
81.03405	1.8
81.07059	3.4
83.08548	1.5
84.08131	1.6
84.52692	1.4
85.02891	3.5
86.07171	6.4
86.09715	10.8
87.07964	8.0
89.24533	1.6
91.05412	2.4
94.04191	3.1
95.04961	3.0
97.02882	2.9
97.07657	1.9
98.97578	2.0
100.08736	4.8
103.05551	1.3
105.07038	1.8
107.04953	4.4
109.02907	2.0
109.06513	4.5
111.04434	3.3
112.08710	1.4
114.10264	3.4
115.05502	1.7
116.07102	1.5
116.98607	2.2
119.04956	1.6
119.06904	2.3
121.02856	1.6
121.06501	1.5
122.03633	7.9
123.04405	3.0
125.06001	2.3
127.03973	1.6
128.06221	2.5
129.07004	7.6
129.10239	4.1
130.51376	1.5
131.04860	3.5
131.08568	1.7
131.12929	11.4
133.02853	6.4
136.06190	1.8
137.02354	3.1
137.05972	100.0
143.04941	2.0
143.08510	2.5
144.05678	5.2
145.06456	3.5
147.04356	3.3
149.05966	2.0
151.03896	3.1
151.07527	4.0
153.05481	2.6
157.06479	6.5
157.10820	3.4
160.05231	2.8
162.05461	1.9
163.07553	5.2
165.05502	3.6
167.07115	1.9
168.05649	1.9
172.05209	5.1
173.09276	2.5
174.06738	10.5
174.99814	1.6
175.07535	11.6
177.05418	2.6
179.03403	32.0
179.06931	2.2
185.16521	1.7
187.07529	37.9
187.11894	2.0
188.08057	1.9
189.09081	16.1
191.08566	5.6
195.11278	1.9
195.40057	1.5
199.07556	4.9
202.07803	4.8
203.08537	14.3
205.06564	4.1
208.08890	2.5
211.07535	12.1
217.08574	23.3
218.07283	1.9
219.08023	14.6
220.08879	5.3
221.05937	1.9
221.09767	2.3
223.07326	1.6
227.07034	10.0
231.08061	16.9
232.08803	1.6
233.06067	5.2
233.09584	3.2
234.06676	2.6
235.07439	3.9
235.11163	1.5
236.08434	2.4
237.09068	3.2
239.07043	7.9
240.07814	7.6
247.07629	7.9
248.08334	20.0
249.05695	1.8
249.08994	4.5
251.10628	4.4
253.08629	1.8
255.06529	9.0
256.07318	4.4
259.07605	7.3
260.08337	3.1
261.08990	4.3
263.07474	2.4
263.10657	21.2
264.07822	5.0
265.08627	5.8
268.07288	4.3
270.08850	17.6
270.14441	2.3
271.09598	26.2
273.67844	1.9
276.07831	8.0
277.08569	4.8
279.10150	12.7
280.07474	1.5
280.10809	2.5
281.08118	4.1
281.11703	2.0
283.09689	8.4
291.10150	43.7
292.10916	3.7
293.08087	5.5
293.11420	2.2
295.09808	3.2
295.13791	2.6
296.10452	8.1
297.11179	2.5
308.10391	5.4
308.14505	3.8
309.11197	1.7
311.12701	12.5
313.13934	2.7
323.12762	41.2
341.14221	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
62.72305	0.4
68.27613	0.4
70.06572	0.4
71.33980	0.4
71.34300	0.6
72.08142	0.3
82.81432	0.4
85.02901	0.8
86.09696	1.3
89.03894	0.6
95.04942	0.5
97.02857	0.4
98.97560	0.5
105.03358	0.6
123.04427	10.1
123.05316	0.6
133.01845	0.6
133.02852	10.0
135.04430	1.8
137.05989	1.2
151.03894	3.9
151.69989	0.3
161.02359	0.5
173.09256	0.5
179.03394	100.0
180.03741	1.6
187.07504	0.7
217.08556	0.6
239.86633	0.4
249.55708	0.4
270.14505	0.6
279.07407	0.4
279.10312	0.5
291.10245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0688
Annotation	15-Deoxylactucin-8-sulfate
Peak:m/z	Relative Intensity
55.05513	1.4
65.70914	0.3
67.05485	0.4
69.03432	2.5
71.04968	0.8
72.39887	0.2
82.06598	0.3
83.04993	0.3
83.08621	1.2
91.05468	0.7
95.05030	0.3
99.25826	0.2
100.07587	0.3
100.09392	0.3
100.11250	3.9
101.11596	0.7
105.07038	0.7
105.72330	0.2
109.06391	0.2
111.04426	0.3
115.05469	0.5
117.07014	0.9
119.08588	0.5
121.06509	0.2
128.06218	1.0
128.07068	0.3
129.06958	1.3
131.08554	1.0
133.90468	0.3
137.05975	1.1
141.06989	1.0
141.11501	0.4
142.07751	0.3
143.08565	1.2
144.09315	1.1
145.06477	0.7
145.10138	2.1
148.89690	0.3
153.06947	0.6
154.07790	2.0
155.08514	1.4
156.09343	0.5
157.06483	1.1
157.10207	0.4
158.07306	2.2
159.08076	1.0
159.11696	2.5
161.05933	0.3
162.06776	0.2
165.06905	0.4
166.07759	0.3
169.06490	0.4
169.10120	2.8
170.07248	0.4
171.04382	0.4
171.08029	2.4
172.07423	0.5
172.08833	7.1
173.06099	0.3
173.09607	4.7
175.07526	0.4
179.03409	0.4
179.08557	0.8
181.10086	0.3
182.07295	1.0
182.15399	1.4
183.08023	0.6
183.15793	0.4
185.05951	1.0
186.06761	0.6
186.10385	3.4
187.07571	0.9
187.11186	1.8
191.10692	0.7
197.09613	4.2
199.07599	1.8
199.11185	1.1
199.18001	0.3
200.08308	2.9
201.09082	0.6
209.16449	0.6
210.14880	1.0
210.16687	0.3
211.15236	0.3
213.05464	0.4
213.09090	0.8
213.17812	0.4
213.67912	0.4
214.06279	2.3
214.09859	1.3
214.28281	0.3
215.10669	6.6
216.71025	0.3
225.09111	2.0
227.17563	0.9
227.67662	0.5
228.07860	2.4
243.10165	100.0
244.10571	2.4
261.11230	7.3
276.72952	0.4
277.22955	0.8
309.07867	0.3
341.06876	4.1
341.13531	0.4
343.30713	0.9
344.31100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88609	5.6
56.82937	4.7
56.96572	21.0
57.03452	6.1
59.63947	4.7
61.02916	5.7
69.03433	16.1
69.42991	13.0
69.43388	45.1
70.06605	7.2
70.46444	4.7
71.29297	5.4
73.02933	6.0
74.02982	4.7
76.24900	5.6
79.00398	5.1
81.03461	6.9
85.02917	30.8
89.87691	4.9
91.05790	13.9
95.39868	5.4
97.02900	16.5
98.97585	19.7
106.78410	4.9
110.97564	10.3
116.98591	28.1
117.87605	5.2
123.04432	22.5
127.03949	7.2
128.98596	20.1
133.02872	9.6
134.99638	25.4
136.75076	5.1
146.99663	26.9
161.07112	8.1
168.68965	5.5
170.99620	6.2
177.00787	10.5
179.00130	10.7
179.03398	100.0
185.04216	6.2
189.00874	8.0
197.01242	55.9
201.00737	6.8
215.02307	20.4
219.01802	24.2
237.02844	50.9
255.03700	8.3
309.08441	12.5
323.04190	13.7
341.05090	11.9
341.08823	8.1
341.13367	7.9
359.02686	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	341.0656
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
53.03936	2.0
55.01859	2.6
56.05038	1.5
56.96552	2.0
65.03923	1.5
69.03410	2.6
70.06595	13.5
71.04994	3.1
71.59090	2.3
71.59437	1.8
72.08127	2.6
77.03922	2.4
79.05470	4.7
81.03397	2.8
81.07078	2.1
84.04512	1.8
84.08128	6.0
86.09714	10.0
89.03924	15.2
91.05443	11.7
93.07014	1.8
94.04163	3.3
95.04957	5.6
95.08614	1.7
103.05457	8.7
105.03394	14.3
105.04543	1.4
105.07010	5.1
107.04945	11.7
109.02862	3.4
109.06483	3.9
110.07210	1.5
111.04441	2.9
115.05432	1.6
117.03374	9.6
117.07020	2.5
118.04157	2.8
119.04905	5.7
119.08606	2.7
120.08019	1.7
121.02868	13.7
121.06433	2.0
122.03630	4.5
123.04428	37.0
127.03912	2.1
129.07008	3.3
129.10236	3.6
130.08627	1.5
131.04921	14.9
131.08588	2.5
133.02852	67.4
133.06390	2.0
134.03625	9.0
135.04408	24.9
136.04227	2.3
136.05199	30.7
137.02362	11.4
137.05966	42.5
141.07024	2.3
145.02843	9.7
145.06488	1.7
146.03598	3.5
146.75819	1.3
147.04404	17.0
147.07979	1.6
149.02319	14.5
149.05954	1.8
150.03120	12.1
151.03891	13.7
151.07602	3.4
152.04730	1.7
152.06122	1.5
153.05461	2.1
154.02592	3.7
157.06432	2.1
159.04428	11.9
160.05188	2.3
161.01097	2.7
161.02342	29.3
161.05968	7.8
161.09613	2.2
162.03120	32.3
163.03902	100.0
163.07538	3.2
165.05579	2.7
165.06981	19.0
167.03438	2.1
167.07152	2.4
167.08499	2.1
169.06447	2.2
171.11508	1.4
172.05203	2.7
173.02333	10.2
174.06757	3.5
175.07547	10.3
177.01826	6.2
177.05487	3.7
177.06953	3.0
179.07077	2.2
181.05037	1.5
181.06499	2.6
187.03906	32.0
187.07477	9.9
189.09090	3.1
191.08551	3.7
193.06491	10.6
194.07397	1.9
195.08073	1.7
197.05984	4.9
199.07503	2.4
202.07677	2.4
203.08498	3.3
205.06465	11.7
209.05992	1.8
211.07529	6.5
217.08554	4.3
219.08049	5.3
220.08817	2.5
221.05933	26.6
221.09372	2.4
223.07568	7.1
225.05426	7.4
227.07014	1.9
227.13976	1.5
231.08020	5.4
232.09077	1.6
233.06007	6.3
237.02866	1.7
237.05313	2.5
237.09109	2.0
239.06990	7.6
240.07721	2.5
247.07600	2.4
248.08328	5.7
249.05464	21.6
249.07925	1.9
249.09137	1.6
249.12880	1.8
250.06229	5.1
251.06949	8.1
251.10701	2.6
253.04961	6.3
255.06468	4.0
256.07080	1.7
259.07544	2.8
261.05618	3.4
263.10687	7.4
265.08578	4.0
266.05756	3.5
267.06500	13.9
269.07944	3.0
270.08862	3.3
271.09589	6.7
276.07779	3.2
277.04974	7.6
277.08548	3.4
279.06512	11.8
279.10126	4.9
281.08252	1.8
281.11725	1.7
283.09671	1.6
291.10141	10.7
295.06012	38.1
295.09348	2.9
297.07666	18.1
297.10965	2.5
305.04550	1.8
308.10495	1.6
309.11090	12.9
311.12784	4.3
323.05490	93.3
323.12396	9.6
324.05676	2.6
341.06494	11.0
341.10089	3.4
341.13443	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.05513	6.4
56.96572	1.6
57.07072	2.9
61.10413	1.1
62.06089	100.0
67.05503	13.5
68.05845	1.5
69.07054	7.6
69.40722	5.8
69.41145	6.0
71.08631	22.4
77.00903	1.6
79.05495	4.7
81.07054	18.6
82.07378	1.3
83.04940	1.5
83.08624	4.6
91.05490	6.0
93.07038	6.7
95.08608	12.5
96.08912	1.4
97.06548	1.9
97.10163	3.0
98.06042	2.5
99.08083	10.9
105.07021	4.8
107.08585	4.3
109.10152	5.1
119.08586	4.4
121.10114	2.5
123.11715	1.9
131.08609	2.3
135.11656	1.9
145.10144	1.9
147.11687	9.0
163.14873	2.0
165.12833	1.3
168.66609	1.3
172.95210	2.9
188.93828	1.3
190.96294	3.6
224.20085	5.0
242.21133	8.0
243.21103	2.1
261.22116	2.6
279.23175	4.1
317.19540	6.7
318.20078	1.4
322.27393	71.2
323.25580	7.6
335.20572	5.7
340.28455	21.3
358.21564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
50.33831	1.2
55.05508	14.8
57.03438	1.6
57.07063	5.6
60.04524	29.6
67.05506	10.8
69.07065	18.1
69.28867	9.5
69.29284	3.3
71.04977	2.0
73.95045	1.5
77.11446	1.3
79.05489	3.8
81.07055	15.2
83.08623	15.3
86.51852	1.1
91.05460	3.9
93.07034	4.0
95.08603	15.9
97.06525	1.7
97.10183	9.0
105.07022	4.0
107.08596	3.5
109.06510	1.8
109.10143	8.8
111.11716	3.1
119.08561	5.3
121.10117	3.3
123.08057	1.7
123.11726	3.0
129.94142	1.6
133.10147	4.4
137.09645	2.4
139.11163	1.3
142.15854	8.7
147.11661	2.8
151.11192	1.3
154.12277	3.6
168.17389	1.5
172.13376	1.7
175.14803	1.8
180.94290	1.1
182.08174	1.2
182.18996	1.5
245.22656	2.5
263.23758	4.2
280.26382	12.6
298.27423	10.1
322.27460	2.5
340.28461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
56.96558	3.5
59.53815	2.2
61.02902	3.2
69.03419	9.8
70.06588	4.6
73.02920	3.1
81.03413	6.1
81.07034	4.0
84.04498	3.8
84.08126	3.4
85.02908	24.4
86.09676	3.9
91.05463	2.8
97.02888	10.2
98.21546	3.7
99.04437	2.7
103.03954	2.8
103.05475	3.6
107.04951	3.7
109.02841	4.5
115.05457	4.9
117.05733	3.7
118.06535	12.0
120.08067	3.1
122.03707	2.8
129.07005	2.9
130.06558	7.6
131.07303	3.8
132.04436	14.0
132.08084	33.3
137.05974	15.0
142.06525	7.6
142.12184	2.3
144.08102	17.7
145.02806	3.5
145.05025	3.3
146.06024	9.1
146.09689	4.3
156.08073	4.3
159.06755	5.6
160.07582	100.0
165.05478	3.3
167.07195	2.4
172.07594	3.3
174.05516	5.4
174.09129	8.6
177.05499	4.5
178.08635	59.1
179.06773	2.6
181.08620	3.8
182.09125	2.7
184.07568	8.2
187.07597	3.1
190.08641	5.8
202.08633	38.4
203.08612	3.4
210.09132	5.5
220.09711	17.9
237.02818	2.7
248.08307	3.0
256.09665	6.3
286.10632	3.9
291.10095	6.1
304.11462	4.3
322.12778	15.8
323.12860	4.5
340.18073	2.9
340.28381	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
54.56645	1.3
55.01860	6.1
57.03419	6.3
61.02910	5.1
68.99763	2.4
69.03426	32.6
70.06566	1.8
70.92718	3.4
71.04988	3.7
73.02905	4.9
81.03417	17.4
85.02901	100.0
87.00824	43.8
91.03906	2.4
97.02890	26.4
99.04459	12.1
105.01863	80.8
108.04478	2.1
109.02876	23.8
117.01888	1.7
127.03912	65.8
129.01796	1.8
145.04944	32.2
148.97984	1.5
159.02902	14.4
169.86839	1.6
189.03911	2.6
202.51318	1.5
231.04979	19.6
249.06070	6.4
288.93872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03942	1.7
55.05510	41.3
55.54773	0.7
57.03437	20.5
57.07076	17.4
67.05502	29.0
69.07067	52.6
70.66525	2.7
71.04980	1.5
71.08631	8.3
79.05486	11.8
81.07056	28.0
83.04977	1.3
83.08617	34.4
83.09114	1.9
84.08943	0.9
85.06545	1.8
85.10166	2.8
91.05486	2.5
93.07044	15.2
95.04964	0.8
95.08606	27.2
97.06535	5.3
97.10175	19.2
99.08118	1.0
107.08594	9.5
109.10160	11.6
111.08077	3.3
111.11702	6.3
113.09624	1.1
121.10144	15.2
123.11703	3.3
125.09619	2.3
125.13280	1.3
133.10030	0.9
135.11699	11.2
137.13252	1.1
139.11200	2.2
149.13272	6.7
149.38890	0.9
151.14835	0.9
153.12801	1.9
159.27902	0.8
163.14819	2.6
163.49759	0.7
165.16411	1.2
177.16444	1.0
183.32127	0.9
247.24251	2.9
252.07179	0.7
256.96640	0.7
265.25305	4.1
319.01675	0.8
319.26334	0.9
320.26840	0.7
339.28940	100.0
340.29309	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	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.40999	0.8
53.03932	1.5
55.01870	0.8
55.05509	41.5
57.03438	18.2
57.06819	1.4
57.07072	16.5
57.57346	0.8
61.60643	0.8
65.03930	1.0
67.05502	27.8
69.07064	49.7
70.07365	1.0
70.86413	1.4
71.04962	1.9
71.08337	0.7
71.08636	8.3
73.06548	0.9
79.05488	13.7
79.80080	0.8
81.07052	29.3
83.04950	1.6
83.08615	34.4
85.06538	1.2
85.10192	4.7
91.05481	2.0
93.07040	17.8
95.08601	27.5
97.06550	5.7
97.10165	19.1
103.15308	0.8
105.07051	1.0
107.08577	8.1
109.10160	13.9
111.08075	2.5
111.11701	4.9
121.10139	15.2
123.11700	3.2
125.09616	2.5
125.13290	1.1
130.59470	1.0
135.11682	11.0
137.13165	0.9
139.11179	2.2
142.05472	0.8
149.13261	6.2
151.14816	1.1
153.12766	1.6
156.88182	0.8
163.14836	2.0
165.16360	1.5
177.16428	1.1
230.01830	0.9
247.24242	3.2
265.25217	3.8
339.28937	100.0
340.29132	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.41350	2.0
53.03940	3.8
55.05511	17.7
57.03429	6.9
57.07071	5.4
59.06541	1.6
67.05503	98.8
69.07067	18.5
70.21528	8.9
71.04977	2.6
79.05490	46.3
81.07057	100.0
83.04964	1.7
83.08607	7.7
85.06526	3.1
85.80791	1.9
91.05470	24.0
91.75893	1.8
93.07037	59.4
95.04958	7.6
95.08606	89.6
97.06512	4.6
97.10180	2.1
98.97591	5.8
99.08098	3.1
105.06356	3.5
105.07021	24.6
107.08591	40.6
108.14207	1.8
109.06503	3.7
109.10151	47.0
111.08062	2.5
116.98588	6.2
117.07022	9.2
119.08591	18.9
121.10146	37.1
123.11703	15.9
123.59098	1.7
125.09661	2.2
127.74801	2.0
131.08560	20.8
133.10124	18.5
134.99666	5.3
135.11697	29.4
136.33849	1.9
137.13252	5.6
139.11188	3.6
143.08577	2.6
145.10123	21.8
147.11678	15.7
149.09599	2.3
149.13260	23.8
151.11073	2.1
153.00676	2.5
157.10213	2.3
159.11685	21.9
161.13264	6.9
163.11125	2.5
163.14792	7.1
171.11717	2.8
173.13271	11.7
177.12794	2.5
187.14821	6.5
193.04979	1.9
201.16406	3.3
219.21086	5.4
229.19492	22.3
247.20564	85.7
248.20851	5.1
256.96375	2.9
265.21655	3.8
274.97485	13.4
292.98624	12.0
316.00192	1.9
321.24231	11.0
339.18845	5.8
339.25247	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.52371	2.1
53.03957	3.7
55.05509	18.3
56.96574	6.2
57.03431	8.6
57.07074	4.6
67.05505	97.5
69.07079	15.5
70.00645	13.6
71.05006	3.8
79.05495	50.8
80.90450	2.3
81.07061	100.0
83.04986	5.7
83.08616	7.6
91.05477	26.8
93.07039	53.4
95.04975	4.6
95.08608	90.5
96.08948	3.0
97.06549	6.1
97.10189	5.5
98.20607	2.6
98.97617	11.1
105.07027	24.6
105.53902	2.3
107.04993	2.5
107.08600	42.4
109.06511	3.8
109.10164	48.5
116.98636	15.7
117.07030	8.4
119.08585	18.6
121.10144	36.8
123.08110	3.4
123.11723	20.0
125.09638	5.8
129.07072	3.5
131.08572	20.0
133.10135	16.5
134.99684	14.1
135.11694	32.7
137.13222	5.5
138.49731	2.4
145.10130	19.9
147.11690	13.1
149.13239	19.3
159.11708	17.2
161.13297	6.8
163.14815	6.0
173.13272	15.8
187.14851	5.3
198.99043	3.5
201.16347	2.7
219.21043	3.5
229.19467	32.1
247.20570	91.5
248.21039	3.3
265.21677	6.7
274.97476	24.1
283.16977	3.1
292.98492	24.3
316.00024	3.0
321.24103	13.1
339.25275	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01874	5.3
55.05516	13.4
56.96563	4.2
57.03439	6.3
65.03936	2.4
67.05497	24.0
68.27006	2.2
69.03419	4.4
69.07069	8.8
70.21492	4.9
70.21887	5.7
71.08656	2.8
79.05489	33.0
81.03437	11.6
81.07056	100.0
83.04981	14.8
83.08614	7.6
85.06525	4.5
91.05476	14.4
93.07040	19.9
95.04963	5.9
95.08624	16.6
97.06515	3.0
98.20811	2.8
98.97584	10.9
103.34071	2.6
104.22404	2.4
105.07024	11.6
107.04965	14.6
107.08611	9.3
109.06520	54.9
109.10165	6.1
109.79968	2.9
111.04433	10.4
111.08083	4.3
116.98608	9.6
117.07042	7.5
119.08604	9.2
121.06499	5.8
121.10130	5.6
123.04448	9.4
123.08103	11.6
131.08589	7.0
133.06464	2.6
133.10178	8.7
134.99666	9.7
135.08075	9.4
135.11713	8.5
137.09612	4.7
143.08585	4.0
145.06456	3.8
145.10187	5.4
149.09624	3.4
149.13283	6.0
151.07570	5.0
153.00745	2.8
158.39667	2.3
159.08136	3.9
159.11717	9.1
161.09639	7.6
163.07430	2.4
165.09181	2.7
165.77248	2.5
173.09552	3.7
177.12718	13.5
179.10710	3.0
179.14261	3.6
183.11751	2.4
187.11201	6.1
187.14786	2.3
193.04930	3.2
198.98978	3.9
205.12183	5.6
209.15414	2.8
224.29913	2.6
233.15369	3.9
243.17412	6.2
255.15923	3.9
256.96194	2.7
261.18561	9.3
271.16956	8.4
274.97504	20.2
289.17999	38.7
290.17969	3.0
292.98590	19.2
303.20053	3.2
303.23209	4.2
321.20639	9.5
321.24292	6.4
339.19214	3.4
339.27216	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
56.96552	1.1
58.62057	0.5
65.03934	1.0
65.56490	0.7
67.05495	1.4
69.03440	1.5
69.07058	0.8
70.06579	2.5
71.59735	0.7
71.60157	0.7
72.08125	0.8
81.03420	1.0
81.07064	1.1
83.04984	0.9
84.08141	1.6
84.68813	0.6
85.02900	1.1
86.09705	0.7
91.05480	11.0
92.49747	0.6
93.07082	0.8
95.08577	0.6
97.02875	1.3
97.80399	0.6
98.97570	0.9
102.24257	0.6
104.23045	0.6
105.07051	0.8
107.04938	0.7
109.06452	0.7
110.07172	0.8
111.04395	0.6
119.04946	23.6
119.08596	0.8
120.08089	1.0
127.03936	0.7
133.06477	0.7
145.10149	0.6
147.04410	100.0
148.04848	0.7
159.07997	0.7
161.05946	0.8
165.05501	0.9
182.07997	0.6
196.93947	0.7
218.07207	0.7
219.08087	2.0
221.05997	1.1
246.06772	1.1
247.07620	2.2
249.05429	0.9
264.07803	2.9
279.10248	2.9
292.07193	0.8
307.09567	5.0
321.14655	0.8
339.12354	2.2
340.02643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.4
56.96553	4.3
67.05483	5.5
69.03430	5.5
69.46656	14.9
81.07024	1.9
83.04970	6.0
84.04471	1.7
85.02897	2.0
85.06553	2.5
86.06062	5.7
91.05476	3.5
94.06560	13.8
97.02895	2.5
98.97604	3.2
100.29331	2.0
105.07099	2.1
107.04938	3.4
107.07301	2.0
108.08118	9.6
111.04439	3.2
120.08100	15.3
122.06048	8.0
123.06805	6.3
124.07595	2.8
127.03902	1.9
128.07101	2.6
131.07309	2.0
134.09639	2.4
135.04419	6.2
136.07588	10.0
137.05981	5.8
138.09113	2.9
139.03894	4.9
144.08162	2.1
145.02748	2.6
145.08847	1.9
146.06015	2.4
146.09520	2.1
147.04378	13.7
147.06787	3.0
148.07594	13.7
160.07536	3.0
162.09146	6.3
163.03914	27.9
164.07097	4.5
166.08585	4.0
169.08847	1.9
172.07542	2.3
174.07852	3.5
174.09189	3.3
174.12729	2.5
175.03777	2.0
176.06905	2.3
184.11217	3.6
186.09117	4.5
186.12807	2.5
187.09898	4.3
190.08603	10.2
192.06583	3.6
195.05029	3.7
199.09969	1.8
200.10765	2.5
202.08626	4.7
202.12212	9.6
203.03389	48.6
204.03674	2.6
204.10234	3.2
205.05142	1.8
206.08350	4.4
211.12344	2.6
212.10832	4.6
214.08669	6.5
215.09389	3.7
218.08107	2.8
221.04839	1.9
227.08141	1.7
230.11740	16.1
231.02858	4.0
232.09718	3.1
236.09187	8.2
236.47736	1.9
237.02733	2.4
239.11803	5.1
240.10204	5.8
248.12819	11.4
257.12921	4.1
258.11249	20.8
261.03870	2.7
267.11362	8.2
272.11621	5.6
273.12222	2.2
275.14008	7.0
276.12317	35.2
279.04941	3.8
285.12259	18.4
286.10742	7.3
294.13309	5.7
303.13333	20.6
304.11807	24.6
309.08148	2.0
321.14371	10.1
322.12796	13.3
339.10483	100.0
339.15472	34.9
339.19272	2.8
340.10727	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.6
69.03441	0.6
71.00278	1.4
75.48924	0.5
85.02903	1.1
97.67207	0.6
98.97591	0.6
113.08382	0.6
134.99590	0.6
137.05959	1.6
147.04414	0.8
162.99281	0.6
163.03955	0.8
185.04210	2.0
195.05103	1.4
203.03601	1.1
213.06140	0.9
236.93036	0.6
237.06047	0.7
246.03976	0.5
246.52951	0.5
291.06931	0.5
309.08420	0.9
339.10513	100.0
357.10098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03947	0.7
55.01843	0.3
55.05488	0.5
56.96572	0.4
57.03425	1.2
63.02382	0.3
67.05502	0.7
69.03071	0.5
69.03427	8.5
69.07041	0.7
69.34107	0.7
69.34509	2.5
71.01357	1.0
71.04993	0.8
71.28950	0.3
73.02908	0.3
78.04717	0.4
79.05485	0.8
81.03419	3.4
81.07047	1.1
83.08637	0.4
85.02908	4.4
89.03912	6.8
91.05476	0.9
93.07038	0.8
95.04987	0.4
95.08611	0.7
97.02888	15.9
97.06499	0.4
98.97602	0.8
99.04452	1.3
100.13995	0.3
101.02363	0.6
103.05499	0.5
105.07017	0.9
106.04183	0.5
107.08605	0.4
109.02868	1.4
109.10155	0.5
116.98642	1.2
117.03370	20.6
119.08577	0.4
127.03915	1.8
131.08505	0.4
134.03641	1.6
134.99669	0.9
135.04417	3.1
136.78711	0.3
145.02838	50.0
145.10086	0.7
149.04768	0.4
149.05975	8.0
158.06091	0.4
162.03119	0.4
163.03897	1.3
169.10284	0.3
171.11700	0.4
177.05460	100.0
178.05775	1.0
186.05515	1.8
195.06516	3.4
198.98901	0.5
256.96152	0.3
274.97540	1.2
279.08444	0.5
292.98633	0.9
316.11975	0.3
321.09607	4.3
339.10730	8.4
339.17838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03415	0.9
63.29741	0.6
65.16570	0.7
68.99789	0.6
69.03426	1.4
70.59308	1.8
73.02878	0.7
77.43140	0.6
79.05484	1.3
81.03432	0.6
83.87831	0.5
84.08134	0.9
85.02903	2.3
85.68807	0.7
89.03907	5.4
91.05469	1.0
95.01328	2.9
95.04941	0.8
97.02892	1.4
98.97564	0.7
101.40401	0.5
103.05469	0.8
107.04951	2.3
109.02886	0.8
116.98627	1.2
117.03387	5.6
119.04951	0.8
119.54050	0.7
119.76556	0.6
121.02885	1.3
123.04401	1.7
127.03886	0.8
131.04910	2.0
134.99673	1.6
135.04414	19.7
137.05872	0.7
137.90097	0.6
141.01808	1.2
145.02838	8.0
147.04405	24.4
149.02332	3.5
149.06020	1.4
151.03902	0.6
159.04416	1.3
161.05965	2.2
163.03905	94.2
164.04274	1.6
165.91150	0.6
175.03865	3.2
177.01842	3.4
177.03957	2.4
177.05463	2.7
179.03407	1.4
187.03871	2.8
188.04669	0.9
189.05434	1.7
191.03479	0.9
193.04979	0.7
199.08116	0.6
201.05463	1.0
203.03394	100.0
204.03723	1.5
205.04922	4.2
213.05499	1.2
215.03397	3.8
217.04868	0.7
219.03035	1.4
229.04942	2.7
231.02896	13.3
233.04430	3.4
237.02837	1.3
247.05937	0.7
261.03983	5.8
267.06253	0.8
275.05457	0.8
279.05014	8.8
291.05048	5.0
321.06049	1.0
321.14435	0.7
339.06979	4.7
339.10446	0.8
339.15610	0.9
339.19452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05513	35.3
56.05835	8.2
57.03432	22.1
57.07060	6.1
62.57237	2.7
62.98250	2.6
67.05506	67.3
68.05846	18.6
69.07067	35.2
70.07400	11.0
70.72383	2.1
71.04987	2.5
71.60242	3.6
79.05497	19.0
79.65794	2.3
80.05824	6.3
81.07057	65.4
82.07040	2.0
82.07395	24.3
82.65862	2.1
83.04977	2.6
83.08628	18.5
84.08952	8.8
91.05473	16.6
92.05798	3.6
93.07047	13.6
94.07359	5.4
95.08604	39.7
96.08936	14.4
97.06532	6.3
97.10165	6.6
98.10522	3.9
102.86340	2.2
105.07018	8.3
106.07410	3.2
107.08562	9.5
108.08924	6.2
109.10149	15.7
110.10485	8.9
116.98605	3.1
119.08537	4.8
120.08971	2.8
121.10133	4.4
122.10504	2.8
123.11726	5.9
124.12077	6.5
127.88621	2.1
133.10075	5.6
134.10471	4.7
135.11693	5.6
136.12045	3.8
137.13345	2.9
147.11714	4.2
148.11981	3.3
149.13330	2.5
161.13254	3.5
186.93993	2.6
274.97421	4.7
292.98648	4.7
321.18115	3.7
338.17227	2.7
338.27692	100.0
339.19049	31.9
339.27789	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	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.03952	1.4
55.01865	2.8
55.05516	7.3
56.96577	1.0
57.03434	1.7
57.07081	5.6
57.38333	0.6
62.06087	100.0
65.03940	1.3
67.05502	16.5
69.03428	6.8
69.07055	4.4
69.95953	2.5
70.02951	1.0
71.05000	1.3
71.08627	17.8
79.05489	12.2
81.03431	3.0
81.07055	18.7
83.04984	3.2
83.08611	3.0
85.10181	7.6
88.49147	0.7
91.05482	9.3
93.07043	11.8
95.04976	3.3
95.08599	12.3
97.02914	1.2
97.06548	2.3
97.10158	1.8
98.06042	4.4
98.97596	1.1
99.04488	0.9
99.08089	9.7
103.05469	0.7
105.07012	8.5
106.27152	0.7
107.04964	2.6
107.08585	7.0
109.02911	0.8
109.06528	2.6
109.10142	4.2
111.04443	0.7
111.08099	3.6
113.09653	6.7
116.98699	1.2
117.03399	1.0
117.07014	3.5
119.08570	5.3
121.06536	1.0
121.10128	4.1
123.08066	1.5
124.11224	2.4
129.06970	1.3
131.08566	3.0
133.10133	5.2
135.11736	2.8
136.04030	0.7
137.05989	2.2
137.09680	0.7
138.12688	0.7
143.08569	1.8
145.02882	2.1
145.10104	4.2
147.08038	0.9
147.11691	4.4
149.09663	2.1
149.13278	2.0
151.11232	4.4
152.10742	1.0
157.10097	1.3
161.13251	4.2
163.11203	2.3
165.07066	0.9
165.12732	4.6
168.13834	0.7
170.11888	0.8
171.11749	1.9
175.11060	0.7
175.14856	2.6
177.05539	2.1
177.12695	0.8
179.14351	2.4
185.13248	1.1
189.12767	1.1
196.13347	5.5
208.16989	6.5
214.14397	10.4
217.19524	2.3
219.07967	1.4
222.18530	8.4
226.17986	10.6
240.19585	11.2
241.19511	2.0
251.10728	0.8
259.20602	4.9
274.97772	0.7
277.21609	6.8
286.28891	0.7
292.07312	1.0
292.98651	0.8
296.96042	0.8
297.15570	0.9
307.09747	1.9
320.25830	95.8
321.24347	3.4
338.11200	0.9
338.23212	1.1
338.26938	20.3
339.12262	2.8
339.18204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01865	2.5
55.05506	9.1
57.03436	1.7
57.07059	1.8
58.06590	1.3
62.06087	100.0
67.05172	1.6
67.05503	24.8
69.06770	1.0
69.07068	11.9
69.38886	1.2
70.52552	1.2
70.52866	1.8
71.04978	1.0
71.95283	1.1
79.05488	15.4
81.03416	18.7
81.07051	16.9
82.06553	1.6
83.04961	3.3
83.08605	4.8
85.06509	1.7
86.67504	1.0
91.05470	6.1
91.74776	1.1
93.07046	13.2
95.04966	11.6
95.08589	6.7
97.06504	1.2
97.10140	2.8
98.06063	1.6
105.07052	6.1
107.04943	1.5
107.08609	9.8
109.06487	3.1
109.10147	5.8
111.08099	1.0
116.98585	1.9
119.08588	5.8
121.10172	2.5
123.08033	1.2
123.11662	1.1
124.11217	10.1
125.09638	2.6
129.06998	1.6
133.10109	4.3
135.11642	2.9
137.13235	1.1
147.11679	4.0
149.13289	1.4
151.11168	7.8
157.07220	1.2
161.13251	2.8
163.14761	1.1
165.12793	2.9
168.13791	3.2
170.11754	3.2
171.11632	1.1
196.13321	43.5
196.15126	2.2
214.14369	68.5
231.20987	1.2
259.20639	1.4
274.97525	2.5
277.21600	15.1
292.98334	1.6
320.25842	58.3
321.24292	4.3
338.26938	33.4
339.27283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.05507	6.1
56.64693	0.7
56.96565	1.1
57.03432	0.8
62.06089	100.0
67.05503	17.4
69.07065	5.5
69.88512	3.5
71.08631	25.1
75.12305	0.8
79.05493	13.5
81.03426	1.6
81.07059	18.1
83.04992	2.3
83.08609	3.7
85.06534	1.5
91.05486	7.2
93.07044	13.3
95.04958	2.4
95.08610	14.3
97.06512	1.9
97.10164	1.0
98.06060	3.9
98.20670	0.9
98.97536	0.9
99.08090	16.0
100.11256	1.8
105.07040	7.8
107.08588	7.2
109.06589	1.1
109.10170	4.9
116.98645	1.4
117.06966	1.1
119.08584	5.3
121.10166	6.2
123.08087	1.9
124.11237	1.1
127.59164	0.8
129.06992	1.0
133.10095	4.0
135.11699	3.7
139.11186	1.0
145.10135	3.2
147.11682	1.5
149.13232	1.3
151.11177	6.9
153.12732	0.9
159.11702	1.2
160.13306	0.9
161.13223	4.6
163.11177	2.7
163.14815	1.0
165.12720	0.9
166.15952	1.4
171.11681	1.9
175.14830	1.4
179.14290	9.9
196.13249	0.9
202.17719	0.8
214.14398	1.2
222.18532	18.5
223.16898	1.2
225.64130	0.8
226.09944	1.2
240.19585	24.7
241.19652	2.1
243.10873	1.7
244.11058	3.1
259.20566	3.6
274.97543	2.4
277.21677	4.2
292.98529	2.3
320.25830	96.5
321.26154	2.4
338.23615	15.3
338.26971	18.9
356.23608	4.9
357.22778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	22.4
62.90357	2.0
70.06584	4.0
71.57950	2.0
71.58335	2.6
77.81158	1.6
84.08134	3.2
95.19717	1.7
97.02988	1.8
98.97577	35.9
100.17590	1.7
111.17678	2.1
112.12778	1.8
116.98621	46.0
119.01920	27.5
120.02018	4.4
121.01690	7.1
134.98627	3.0
134.99663	62.4
137.02953	19.6
138.03087	2.4
139.02702	3.0
142.03528	8.0
153.00696	16.0
158.01250	3.3
160.04541	3.8
174.97583	4.6
177.00957	10.4
178.01106	4.0
179.00771	8.9
181.00481	2.9
192.98692	9.0
198.97577	2.3
212.92331	4.5
216.98711	40.3
217.00653	3.8
219.01932	12.9
220.02159	4.7
221.01828	3.7
230.93372	20.3
232.93146	2.1
232.96686	2.0
234.99751	100.0
235.99927	4.3
248.90700	2.3
248.94383	15.9
253.00925	5.4
254.93297	13.2
255.93454	2.1
256.96680	13.2
257.96701	4.0
258.01260	2.6
258.96460	11.0
258.99960	3.0
260.04828	2.0
260.95978	2.8
261.03122	13.4
262.03223	7.0
263.02869	9.8
264.02899	2.0
272.94403	73.3
273.94736	3.5
274.94772	3.3
274.97742	9.9
275.97986	5.2
276.97546	6.8
277.00952	5.7
279.00745	2.2
282.99966	3.4
284.94684	2.5
288.92258	5.8
290.91910	7.8
290.95425	60.6
291.98587	2.3
292.95602	4.0
293.95380	2.5
295.95749	3.5
296.94397	6.6
301.01013	4.1
303.00809	6.7
304.92258	2.4
305.00742	4.6
306.92957	3.2
308.92975	3.7
310.92908	2.2
311.25696	3.4
311.46075	5.4
311.95993	40.1
312.46085	21.0
312.92368	2.1
312.95865	7.7
313.97034	4.4
314.95419	68.3
320.46603	4.3
320.96524	26.3
321.46518	10.8
321.96606	5.3
323.46823	7.7
327.71823	2.4
332.91357	8.3
332.96457	9.6
337.97104	4.5
338.07025	10.5
341.91177	2.7
344.42151	2.7
356.93115	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	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	1.9
55.05509	40.2
57.03435	22.8
57.07074	5.9
64.10408	0.7
65.03934	3.0
67.05503	84.3
68.05830	1.0
69.07066	47.9
70.02457	2.6
70.07391	0.8
71.04976	1.8
71.08624	2.2
75.92722	0.7
79.05492	23.3
81.07055	82.9
82.07366	1.3
83.04973	2.5
83.08134	1.5
83.08617	22.6
85.06521	2.6
85.10167	1.0
91.05476	13.5
93.06466	1.4
93.07041	23.5
95.04965	2.5
95.08604	61.7
96.08935	1.2
97.06512	4.6
97.10162	12.0
99.04517	0.9
99.08078	2.4
105.07039	9.1
107.08597	12.7
109.06523	1.3
109.09455	1.4
109.10155	24.6
111.08083	3.9
111.11728	2.5
119.08563	7.4
120.95893	0.9
121.10133	10.1
123.08058	1.1
123.11706	9.3
125.09608	2.1
133.10124	9.5
135.11685	6.0
137.09569	1.1
137.13298	4.1
139.11165	0.8
147.11690	4.8
149.13222	4.1
151.14873	1.1
161.13255	3.6
163.14803	2.4
165.16554	0.9
175.14813	3.8
187.91023	0.9
189.16312	1.4
245.22687	2.5
263.23737	5.1
325.86758	0.9
337.27365	100.0
338.27704	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
52.70307	0.8
53.03925	2.1
55.01863	1.5
55.05509	34.4
57.03436	22.3
57.07065	4.7
59.34035	0.9
63.21789	0.7
65.03927	2.8
67.05502	75.6
68.05818	1.0
69.07068	45.0
69.11700	0.9
71.04966	1.0
71.05262	1.0
71.08615	2.9
72.98504	1.0
79.05493	19.7
81.07055	73.5
82.07388	1.5
83.04961	2.2
83.08138	1.4
83.08617	21.6
85.06526	2.2
88.90484	0.9
91.05478	14.5
91.60957	0.8
93.07039	19.7
95.04971	2.0
95.08602	57.0
97.06554	4.7
97.10168	9.8
99.08092	1.9
105.07015	8.3
107.08591	9.3
109.06537	1.2
109.10151	18.5
111.08050	1.2
111.11717	2.5
119.08565	7.2
121.10133	7.7
123.11701	10.1
125.09663	1.1
133.10118	8.2
135.11699	5.5
137.09642	1.2
137.13243	3.6
145.10162	1.3
147.11691	5.0
149.13245	2.9
151.14786	1.4
153.12775	0.9
161.13235	4.4
162.13670	0.9
163.14854	1.9
175.00009	1.0
175.14821	2.8
237.52321	0.8
245.22752	1.3
263.23700	3.4
337.27350	100.0
338.27771	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	337.1281
Annotation	Avicennone B
Peak:m/z	Relative Intensity
58.66116	0.8
67.05487	2.6
69.03441	1.1
69.07049	4.3
71.05480	2.0
71.94795	0.7
79.05476	2.8
81.07039	2.3
85.02874	0.8
91.05460	1.2
93.07021	1.3
95.04972	5.3
97.06498	3.3
105.07008	1.7
107.04893	0.8
107.08585	0.9
108.02101	3.8
118.41627	0.7
119.08569	0.9
123.04447	1.9
131.08423	0.8
135.04359	1.2
135.89082	0.8
149.02347	5.6
151.03915	8.9
153.05455	2.0
162.03123	4.3
163.03877	2.5
165.05524	1.2
179.03386	50.8
180.03685	1.1
190.02631	3.1
194.02086	4.5
207.02882	33.9
208.03653	1.7
209.02559	1.7
209.04446	22.4
241.08510	1.9
305.10184	71.4
306.10416	3.2
328.48236	0.8
337.12787	100.0
338.13168	3.9
353.69223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05527	0.8
57.03448	0.9
63.20108	0.4
65.03942	0.4
67.05514	1.4
69.07069	4.3
69.87937	1.1
69.88350	1.1
77.24905	0.4
78.04720	0.6
79.05506	2.0
81.07045	2.1
83.04984	0.5
84.04501	2.0
91.05478	1.0
92.19533	0.4
93.07069	0.9
95.04955	3.4
95.08616	0.9
97.06546	4.1
97.10192	0.6
103.03948	0.5
106.04200	0.6
107.04961	3.4
107.08634	0.5
108.02124	2.8
109.10168	0.9
111.08068	0.6
116.17679	0.5
119.08585	1.2
121.02874	0.5
121.10173	0.8
123.04444	1.4
126.05643	0.7
126.72303	0.4
129.09157	1.0
133.02885	1.0
133.10172	0.5
133.41310	0.4
134.03662	0.7
135.04437	1.9
135.08055	0.5
135.11694	0.6
138.03191	0.8
148.89713	0.5
149.02341	6.0
150.03070	0.5
151.03886	6.5
152.06317	0.4
153.05496	2.9
162.03119	6.2
163.03885	4.6
165.05525	1.7
166.02643	0.5
176.12016	0.7
179.03397	37.3
180.03738	1.0
181.05037	0.6
190.02625	4.8
194.02118	6.6
207.02896	24.2
208.03586	2.2
209.04448	29.7
210.04819	0.7
241.08633	0.9
305.10196	75.5
306.10590	2.8
337.12802	100.0
338.13104	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32750	1.1
55.03125	1.3
56.96559	1.8
62.19762	1.2
69.03407	1.6
71.10752	2.3
73.02905	1.2
79.44255	1.0
85.02885	5.4
93.07081	1.3
97.02885	2.6
98.97579	2.1
107.04945	3.2
109.85794	1.0
119.01886	3.7
128.98596	1.4
145.03473	2.9
146.99664	1.3
161.02959	1.2
173.02957	1.7
173.70107	1.3
193.43193	1.1
219.01711	2.2
235.04572	3.5
237.02707	1.4
247.04665	1.3
253.05482	3.7
259.10803	1.5
277.05530	1.7
295.06525	3.6
301.08957	1.6
337.08893	100.0
338.09296	3.0
355.08618	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05491	0.7
57.03435	1.1
57.94436	0.4
61.02913	2.3
67.05485	1.6
68.99789	3.7
69.03418	1.1
69.07056	0.6
70.06575	2.3
71.01348	0.9
71.59219	0.7
72.08148	2.6
79.05495	1.7
81.03404	1.4
81.07048	0.7
84.04487	0.7
84.08114	1.4
85.02904	6.8
86.09706	2.7
87.00833	4.2
91.05485	6.9
93.07026	0.8
95.04948	2.0
97.02901	0.9
103.05474	0.8
105.03319	0.8
105.07015	4.1
107.04942	0.9
107.08582	1.7
109.02869	2.7
109.06513	0.7
110.03658	2.3
115.05425	3.2
116.06233	1.5
117.07018	5.1
119.04970	0.8
119.08569	1.0
120.08096	2.2
121.06485	3.7
121.08423	1.0
123.04411	2.8
124.05203	2.1
125.06020	3.1
128.06216	1.5
129.01826	3.4
129.06998	1.4
129.10240	1.0
131.04945	0.6
131.08563	6.6
133.06470	2.3
135.04431	0.8
135.08046	6.7
136.07532	0.8
137.05992	2.2
141.06956	3.3
143.13284	0.5
144.05713	4.1
145.06496	7.2
147.02896	2.0
147.04407	3.6
147.08037	1.7
148.05162	0.8
149.05988	4.0
151.03909	10.6
159.04517	0.7
159.08046	9.9
161.05978	39.7
162.06520	0.7
163.03903	2.1
163.07544	12.5
165.05507	0.5
169.06462	4.2
171.02872	1.1
173.06000	2.4
175.07545	2.0
177.05486	1.1
177.09100	1.1
179.07063	3.4
187.05855	1.3
187.07544	26.4
189.03905	1.8
189.05441	9.6
190.06102	0.6
191.07050	8.6
197.05988	4.2
200.04675	4.6
203.07051	1.7
205.08585	2.1
210.06877	0.5
215.07021	31.7
228.59496	0.5
233.08084	100.0
234.08452	1.9
239.34300	0.5
251.09090	1.4
259.06012	0.6
259.10938	0.7
272.24695	0.5
274.92624	0.5
282.39154	0.5
301.11847	0.6
309.07510	0.9
319.12845	1.4
337.07166	1.9
337.13605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05018	0.5
56.96564	13.9
70.06567	1.4
70.84616	1.0
76.90688	0.4
78.13589	0.3
82.47115	0.3
84.04524	0.4
84.08128	0.7
84.96021	0.6
85.02905	0.5
88.99146	0.6
98.97588	5.4
110.97564	3.4
116.98637	5.3
119.01899	0.8
128.98599	8.4
131.01904	0.6
134.99660	2.7
136.06175	1.0
138.61916	0.4
145.03421	1.4
146.99648	11.1
147.40250	0.4
149.01219	0.5
153.00685	0.4
156.98047	5.1
156.99167	0.5
157.03482	0.5
158.99664	1.4
161.01193	0.8
165.00723	2.9
170.01259	0.5
170.99648	1.4
173.02917	0.4
174.99155	50.7
177.00690	1.3
188.97122	0.4
189.00693	3.0
189.02414	0.7
193.00218	100.0
194.00473	0.8
198.00751	1.4
207.01744	1.0
211.01266	9.4
216.01773	1.9
217.00206	33.8
217.01785	1.4
219.01831	0.6
223.01178	0.5
229.00122	2.9
229.02095	0.5
230.98100	0.5
235.01233	24.0
237.02820	1.6
247.01256	14.0
253.02307	0.4
255.03908	2.6
258.02878	1.5
263.00739	0.9
265.02298	3.1
273.04898	0.4
277.02423	2.7
325.58530	0.4
337.04425	6.5
337.08481	0.6
355.05527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	17.0
58.64244	2.5
63.91099	2.7
70.06572	10.6
71.58527	4.9
72.08124	3.0
84.77499	2.5
84.96029	3.1
85.02905	6.6
94.99841	3.0
97.02916	2.9
97.40237	2.4
98.97594	17.1
101.00886	9.2
103.02466	13.1
113.00874	6.7
116.98638	18.6
119.01914	42.9
120.08131	3.4
121.03480	11.7
123.05553	7.9
125.87662	2.6
127.02410	8.4
128.98579	7.4
131.01901	57.3
133.03488	4.4
134.99632	9.6
136.06082	2.9
137.02957	6.9
139.02434	3.4
143.01955	4.8
145.03462	87.0
145.58543	2.7
146.03571	5.2
146.05991	6.1
146.99652	13.9
147.01401	5.4
147.05084	3.6
149.03012	18.2
155.01900	27.3
156.98126	5.2
157.03464	51.0
159.05139	3.6
161.02974	6.5
163.04555	20.8
165.00716	4.5
166.55252	2.9
167.01865	3.9
171.01437	14.4
173.01425	3.7
173.02951	65.3
174.99152	26.0
175.04556	23.1
177.00716	3.2
183.01376	7.6
185.02957	17.0
187.04616	3.0
189.00708	7.9
189.02444	19.3
191.04021	7.3
193.00209	68.8
199.00830	3.8
201.02394	11.0
203.03992	4.0
207.01715	3.0
211.01167	8.8
217.00140	15.6
217.01958	100.0
218.02147	5.9
228.99901	5.5
229.01962	63.8
229.05574	3.4
230.02155	5.0
235.01120	19.4
235.03123	62.7
236.03314	3.2
247.00847	5.1
247.03236	27.6
253.04089	5.6
255.03920	2.6
263.00742	2.7
265.04196	5.4
319.05255	3.3
337.10873	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05465	3.6
55.05260	4.3
55.05512	53.4
57.03431	5.1
57.07081	25.2
57.34991	3.4
65.03952	4.7
67.05169	5.9
67.05502	76.7
68.05816	4.5
69.07068	69.3
69.50730	26.8
71.08614	10.2
73.71918	3.6
79.05505	22.3
81.07058	100.0
81.11701	3.4
83.08617	54.8
83.95476	3.3
85.10173	5.5
86.06081	5.6
86.61679	4.0
91.05492	17.6
93.07042	38.5
94.07409	5.5
95.08607	82.4
96.08932	5.6
97.06529	13.7
97.10156	36.5
98.20644	4.9
100.07627	9.2
105.07025	19.0
107.08583	20.3
109.10157	45.7
110.10485	4.4
111.08070	6.6
111.11700	14.3
114.09184	7.7
119.08565	13.1
121.10133	17.9
123.11714	17.6
125.09644	4.4
131.67679	3.5
133.10115	13.7
135.11642	12.4
137.13269	7.1
147.11649	12.6
149.13309	8.9
151.11223	4.8
151.14775	4.8
161.13248	5.9
163.14822	4.9
170.15399	5.4
175.14778	9.3
178.90004	4.3
221.22687	4.7
301.28925	32.3
304.83774	4.0
319.29938	56.4
336.26361	20.8
336.32516	47.2
337.27347	13.1
346.84439	3.7
355.21527	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	336.1918
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05502	0.9
56.96571	3.6
60.79153	0.5
62.01081	0.5
65.51236	0.5
65.90794	0.4
67.05499	0.9
69.03436	0.9
69.08782	0.5
70.06582	1.6
71.04965	0.7
71.17944	1.3
76.39629	0.6
79.05469	0.8
81.03421	0.6
81.07059	0.7
84.04520	0.9
85.02889	0.8
86.09707	92.7
87.10062	0.8
91.05478	1.2
93.07029	1.0
95.04980	0.6
95.61960	0.5
97.02867	0.6
100.11269	0.6
103.05458	2.8
105.07027	1.2
107.04976	1.1
109.02842	0.5
119.08540	0.8
120.08107	100.0
126.36099	0.5
127.03887	0.8
130.05078	0.6
131.04941	0.7
131.08556	0.8
132.10194	2.3
132.42462	0.5
133.06522	0.5
135.04381	0.8
136.07512	0.5
143.11800	70.3
145.02873	0.6
145.10114	0.7
146.05991	5.7
146.99684	0.8
147.06316	0.7
161.13240	1.2
163.03937	3.5
166.08649	29.1
169.10124	0.6
171.11288	16.0
172.03918	0.8
174.05629	0.6
174.10422	0.6
177.10234	20.5
190.95351	0.9
205.09705	4.4
209.16537	1.3
223.99164	0.6
275.09470	2.9
279.16949	1.7
293.10602	1.7
294.04678	0.6
337.06769	1.1
355.04962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	1.7
55.05511	20.3
57.03424	3.8
57.07063	1.7
57.66302	1.2
58.99585	6.8
61.31945	1.3
67.05162	2.2
67.05502	26.6
69.03416	2.6
69.07067	20.6
70.63966	5.3
71.04993	13.1
71.14165	1.4
73.06540	2.6
76.02233	7.7
79.05487	14.1
81.07056	71.6
83.04982	6.1
83.08616	17.3
85.06539	22.6
86.99039	8.0
88.03983	2.0
91.05477	18.2
93.07047	22.5
95.04912	1.8
95.08604	99.8
97.06525	26.2
97.10162	9.7
98.43794	1.3
99.08085	13.8
101.06023	2.4
105.00113	8.7
105.07027	24.9
107.08593	10.9
109.06483	2.7
109.10139	8.9
111.08095	6.7
113.09624	3.6
115.07574	2.2
117.47983	1.4
119.08579	38.2
121.10138	13.0
122.02724	13.6
123.08083	6.5
125.09602	1.9
127.07553	2.1
133.10136	32.5
135.11691	21.9
137.09605	3.8
137.13242	16.8
141.09088	2.6
149.13300	3.0
151.14825	1.4
161.13254	99.8
167.14301	3.6
179.14310	100.0
180.14719	1.5
185.15382	3.7
195.79723	1.4
197.15369	74.1
198.15820	1.6
215.16452	9.6
229.12558	5.6
255.14247	2.9
273.15179	6.7
301.14651	1.6
318.17374	2.1
319.15756	21.5
336.18509	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	3.0
54.57231	0.7
55.01862	1.2
55.05257	1.1
55.05507	16.5
57.03436	21.0
57.06809	0.7
57.07057	3.4
65.03919	2.6
67.05502	77.4
69.06720	0.9
69.07064	15.0
71.04967	2.6
71.31415	1.3
71.31729	0.7
79.05489	34.6
81.07053	77.5
83.04977	1.0
83.08620	8.5
85.06535	1.7
91.05477	18.5
93.07041	45.4
95.04971	4.1
95.08603	60.5
96.08929	0.8
97.06509	2.9
97.10160	3.6
99.08083	0.9
99.65502	0.7
105.07027	15.7
107.08591	28.0
109.06480	2.2
109.10150	26.1
111.08074	1.3
111.11669	0.8
117.07015	4.9
118.73952	0.6
119.07764	1.3
119.08569	12.3
121.10136	22.2
123.08023	1.4
123.11705	9.6
125.09598	1.3
129.05452	1.7
131.08565	9.4
133.10124	11.2
135.11676	17.2
137.09608	0.9
137.13222	2.4
145.10107	7.8
147.11700	6.4
149.09630	1.1
149.13254	11.0
151.11127	1.3
151.14821	1.1
159.11652	5.2
161.13257	6.7
163.11293	1.2
163.14830	4.7
165.12766	1.2
173.13272	5.9
175.14818	3.2
177.12781	1.0
177.16455	2.3
179.14281	1.1
187.14804	3.8
201.16435	1.3
205.15849	1.2
219.17468	1.1
243.21082	10.0
243.23404	1.1
261.22134	12.1
277.21649	0.9
279.23193	1.2
299.23608	1.1
307.70032	0.8
317.24734	2.9
335.25784	100.0
336.26093	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.3
55.01858	1.1
55.05510	22.6
56.39319	0.9
56.96565	1.2
57.03186	1.6
57.03438	22.5
57.07064	4.7
65.03925	3.4
67.05504	83.7
69.06724	1.2
69.07071	20.0
70.66409	2.8
71.04979	2.6
74.09708	2.3
79.05491	46.2
80.06193	0.9
81.07055	83.4
83.04977	1.9
83.08620	7.9
83.63337	1.0
85.06525	2.6
91.05474	23.2
93.07044	51.1
95.04974	6.7
95.08604	64.3
95.71198	0.9
97.06544	4.7
97.10178	4.4
99.08092	1.3
105.07032	17.5
107.04964	2.3
107.08595	27.0
109.06506	3.1
109.10152	28.5
117.07011	5.8
119.08587	13.3
121.10139	20.5
123.08109	1.9
123.11707	10.0
129.05463	1.3
131.08551	9.4
133.10129	11.4
135.11690	13.8
137.09645	1.7
137.13240	3.0
139.11122	1.1
145.10118	8.2
147.11668	4.5
149.13257	9.2
151.14903	1.1
159.11684	5.4
161.13274	5.4
163.14796	4.4
173.13251	5.4
175.14865	3.0
177.16313	1.2
187.14827	3.3
201.16336	1.8
209.15323	1.3
222.14816	1.9
223.15163	2.6
243.21129	5.1
261.22131	10.0
270.47971	0.9
278.21069	1.3
279.21277	5.0
317.17908	1.4
317.24741	3.0
335.19064	3.7
335.25793	100.0
336.26242	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13083	0.6
53.03931	1.2
54.86466	0.8
55.05511	11.3
56.96562	1.4
57.03439	10.6
58.01172	0.6
58.45761	0.6
67.05503	40.7
69.06725	0.7
69.07070	9.6
69.82116	1.3
69.82526	2.6
71.05006	1.2
74.02911	0.6
79.05103	0.5
79.05488	19.0
81.07054	34.6
83.04967	0.9
83.08623	4.1
85.06548	1.0
91.05477	9.6
93.06478	0.5
93.07041	19.3
95.04959	2.0
95.08602	27.7
97.06520	0.9
97.10146	1.4
98.98521	0.7
105.04417	0.6
105.07023	5.8
107.08590	8.9
109.06503	0.9
109.10156	9.1
117.06999	2.1
119.08570	4.1
121.10147	8.3
123.08079	0.8
123.11687	2.8
131.08537	2.9
133.10136	3.5
135.11687	4.2
137.13290	0.7
145.10115	2.1
147.11725	1.5
149.13269	2.6
159.11723	1.4
161.13239	1.5
163.14906	1.0
171.85695	0.7
173.13231	1.1
173.83095	0.7
175.02724	1.0
175.14815	0.7
195.09918	2.5
261.22198	1.4
335.21899	100.0
335.25821	40.3
336.22177	5.8
336.25824	2.4
337.14865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
54.56771	2.8
55.05513	17.4
56.59286	2.8
57.03436	18.4
67.05511	62.7
68.22308	2.8
69.07077	20.6
69.50510	3.9
70.76453	3.4
71.03136	5.9
79.05501	36.5
81.07060	64.6
83.08634	7.9
83.90234	3.0
89.27004	2.5
91.05487	22.1
93.07055	32.4
94.25475	2.7
95.05002	4.1
95.08607	52.4
97.10141	3.5
105.07041	12.2
107.08576	20.4
109.06557	3.5
109.10160	22.5
119.08598	8.3
121.10177	15.9
123.11718	10.5
131.08586	4.4
133.10130	10.2
135.11699	11.5
145.10129	7.0
147.11682	7.8
149.13290	7.2
173.13315	4.8
179.38745	3.5
182.97276	2.7
192.12975	3.7
205.16005	3.4
243.21167	5.0
261.22247	6.7
318.91855	3.0
335.25797	100.0
336.26642	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14258	0.8
55.05507	5.9
56.96556	1.3
57.03431	7.0
57.07069	2.0
67.05501	27.5
69.07059	5.1
71.08665	0.9
71.60203	1.1
77.00892	2.8
79.05490	15.2
81.03403	1.4
81.07051	27.9
83.04980	1.2
83.08601	3.7
88.07637	2.2
91.05483	9.5
93.07035	20.7
95.01947	1.9
95.04945	1.5
95.08601	21.7
97.06519	1.3
97.10174	1.3
100.58971	1.0
105.07031	7.8
107.08582	14.9
109.06575	1.1
109.10162	8.9
112.74730	0.9
117.07027	1.5
119.08553	6.9
121.10133	12.7
123.08060	1.6
123.11699	3.2
131.08560	5.1
132.22589	0.9
133.10107	4.7
135.11679	11.1
137.13240	2.1
139.07565	1.4
145.10117	4.0
147.11700	5.4
149.09578	1.1
149.13261	4.5
159.11633	3.3
161.13214	5.0
163.11214	1.1
163.14868	2.7
171.11740	1.4
173.13257	3.1
175.14838	2.1
177.16382	1.4
187.08073	1.3
187.14853	3.2
195.13828	1.2
201.09711	2.2
201.16293	1.2
207.13869	1.3
217.19444	1.0
219.10777	2.8
225.09698	3.6
231.10780	1.2
235.16920	1.1
241.12770	1.2
243.10770	12.4
243.14519	3.5
243.21095	4.9
243.25153	1.9
257.22565	5.4
261.11829	1.1
261.22159	4.2
266.12338	2.3
283.13770	1.2
288.92291	1.6
299.23651	2.7
311.08121	1.4
312.08246	4.3
317.19547	3.4
317.24902	7.9
330.09201	2.5
335.21704	100.0
335.25781	15.0
335.29922	7.2
336.22205	4.9
353.21960	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10176	0.7
56.96556	0.8
57.03437	1.1
67.05505	2.6
71.08608	1.4
71.29555	2.0
73.76473	0.6
77.00916	2.4
79.05478	1.7
81.07076	3.4
88.51521	0.6
91.05485	1.2
91.80869	0.7
93.07054	1.3
95.01947	1.8
95.08630	2.4
105.07044	1.4
107.08601	0.9
109.10166	1.2
110.06102	0.7
119.08651	0.8
121.10191	0.8
134.56363	0.9
150.96492	0.7
161.13216	0.9
195.09918	1.5
201.09785	2.8
212.84779	0.8
213.09901	0.8
214.98109	0.6
219.10870	2.2
221.10419	0.8
227.11311	1.1
239.11287	4.3
245.12419	1.7
257.12326	7.0
269.05988	0.7
299.92642	0.8
317.19751	2.3
335.21918	100.0
336.22244	3.5
336.25851	0.8
353.21786	9.1
358.22339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
56.96558	3.7
57.03431	3.6
57.07087	0.9
60.14799	0.7
61.09579	0.8
67.05502	17.5
69.07067	4.2
69.97444	2.7
78.02734	0.7
79.05490	9.9
81.03416	0.9
81.06586	0.9
81.07059	16.6
83.08604	2.0
85.10155	0.8
88.07625	0.7
89.07198	0.7
91.05482	5.3
93.07037	9.9
94.46070	0.8
95.04978	1.5
95.08602	13.8
97.06536	1.0
97.10162	0.9
97.71976	0.7
98.98439	1.1
105.07050	4.4
107.08575	5.1
109.10139	5.8
111.08144	0.8
117.06997	1.1
119.08563	3.7
121.10138	5.5
123.11691	0.9
131.08563	2.1
133.10149	1.5
135.11688	3.5
145.10120	1.4
147.11729	1.2
149.13301	1.9
159.11697	1.4
163.14729	0.8
173.13264	0.9
221.11604	1.0
241.11128	1.8
259.12201	2.0
260.12384	1.3
261.22354	1.2
288.92126	0.8
317.20978	1.6
335.21976	100.0
335.25815	13.8
336.22235	5.2
336.25656	0.9
353.20114	2.1
354.20630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05511	0.7
57.03433	0.7
59.30144	0.4
63.00046	0.4
67.05505	3.2
69.07072	0.5
69.96190	0.8
69.96602	1.2
71.08604	0.3
72.18661	0.4
77.00902	0.6
79.05498	1.6
79.68946	0.3
81.07053	3.1
83.08621	0.5
91.05452	1.0
93.07037	2.2
95.08588	2.3
105.07046	0.7
107.08571	1.1
109.10165	1.0
117.58353	0.3
119.08562	0.7
121.10142	1.0
122.98992	0.3
123.11702	0.4
131.08513	0.8
133.10146	0.6
134.97159	0.4
145.10133	0.4
159.73669	0.4
178.94316	0.4
227.11284	1.3
244.46140	0.4
245.12340	2.0
249.61998	0.4
257.12442	0.9
261.22168	0.6
264.58002	0.3
317.19955	1.4
335.21918	100.0
336.22183	4.6
336.25699	0.6
353.21698	2.7
354.21936	0.4
358.22360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0737
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.37870	6.0
55.94323	5.1
69.98817	25.4
73.98301	5.6
81.83499	4.9
91.29049	4.4
98.20770	5.9
105.16459	6.2
191.48224	5.2
203.53839	5.3
335.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
55.01861	3.2
55.05496	5.5
57.03429	3.8
61.02932	2.0
67.05495	6.4
68.99803	2.3
69.03427	15.6
69.07060	9.0
69.26889	8.4
69.27319	6.4
71.01327	2.2
71.04993	2.8
73.02914	1.9
79.05485	7.0
79.93434	1.3
81.03426	6.8
81.07047	10.2
82.47569	1.3
83.04983	9.5
83.08618	3.0
85.02890	8.0
85.06520	1.7
91.05462	10.0
93.07053	8.6
95.04955	4.1
95.08584	7.1
97.02891	31.5
97.06516	6.2
99.04443	3.4
103.05487	2.2
105.07021	13.8
107.08598	27.6
107.39093	1.4
109.02889	3.3
109.06502	5.9
109.10140	8.7
111.04448	1.9
113.02393	2.5
115.03930	1.5
117.07021	4.4
119.08574	26.7
120.08096	2.8
121.06505	4.9
121.10121	17.6
123.05520	1.6
123.08092	3.0
127.03904	6.5
129.07033	2.1
131.08565	15.7
133.06473	3.0
133.09210	2.8
133.10121	22.0
135.08051	11.2
135.11708	10.9
137.05969	3.5
137.09604	2.3
142.07803	2.0
143.08542	10.2
144.09323	2.0
145.06476	2.5
145.10103	16.0
147.08029	3.2
147.11670	21.0
149.05956	1.6
149.09631	5.0
149.13260	5.6
151.11224	1.9
155.08574	2.3
156.09366	2.5
157.10143	7.3
158.10895	18.1
159.08022	2.9
159.11742	7.9
161.05983	1.6
161.09619	5.0
161.13246	5.1
163.11137	3.1
163.14832	5.1
165.07193	1.8
169.10129	3.4
170.10922	2.9
171.11697	8.1
173.09624	5.5
173.13255	79.3
174.13779	2.6
175.11229	2.8
175.14861	11.6
181.10222	2.2
183.08125	1.9
183.11794	3.0
185.09688	1.5
185.13237	10.0
187.11217	3.5
187.14810	8.1
189.12746	7.0
191.14290	33.3
195.11810	2.4
197.13280	2.4
199.14824	2.1
201.09077	2.7
201.12764	2.9
203.14325	5.0
209.13338	3.4
211.11176	2.6
213.12772	3.7
215.10780	2.2
215.14308	6.3
227.14375	2.6
229.12146	1.9
229.15910	2.6
233.11748	2.1
245.15422	1.8
257.15384	4.6
271.16891	2.8
281.15262	2.2
287.16440	3.0
289.11856	3.3
289.17865	2.6
299.10376	2.5
299.16458	7.9
305.17532	1.7
317.11438	8.0
317.17496	13.9
335.12170	3.6
335.18521	100.0
336.18790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33479	0.7
55.05499	2.0
56.05016	2.2
56.96552	1.4
61.01161	0.8
67.05497	0.8
70.06590	9.5
71.58961	0.7
72.08142	3.0
74.06062	0.9
81.07037	0.9
83.06068	0.9
83.08601	2.3
84.04499	25.8
84.08124	1.9
84.08938	0.8
85.02888	1.2
85.62630	0.7
86.09704	24.3
86.79643	0.8
91.05475	3.7
95.04945	0.9
96.60023	0.7
98.97549	1.2
98.98446	1.2
102.05531	1.5
104.05315	1.7
110.07169	1.3
114.63217	0.7
115.05415	0.9
116.07073	2.0
117.07029	1.3
118.06528	18.5
119.04922	0.8
120.08108	3.9
125.06016	0.9
129.06551	0.8
130.05009	5.9
130.06506	2.5
132.08105	4.6
133.03195	0.9
134.99582	0.8
136.07556	1.3
140.89760	0.6
142.06502	2.1
143.07303	2.5
144.04446	0.9
144.08072	12.6
146.06003	59.7
146.44633	0.8
147.04398	2.8
150.05820	3.8
157.13348	12.8
159.09167	14.3
160.07559	1.5
169.09686	1.2
170.06013	6.0
185.12872	4.8
188.07059	100.0
189.07375	1.6
205.09718	21.4
225.10205	9.5
225.12321	1.0
263.14014	2.3
271.10861	1.4
314.78177	0.9
316.13058	0.8
317.11270	2.5
334.13968	5.9
339.82965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64764	0.7
56.96559	1.3
57.03431	1.6
61.02918	3.9
62.08846	0.7
66.40549	0.7
69.03436	5.7
69.40076	0.7
69.96038	2.6
69.96448	1.8
71.04988	1.3
73.02917	1.1
81.03427	2.8
85.02907	26.1
87.04485	1.0
91.03960	1.7
91.05482	10.7
93.90527	0.7
97.02899	8.0
98.20766	1.2
98.97588	1.0
99.04465	0.8
101.38076	0.8
103.03962	0.7
109.02884	1.4
109.06542	1.2
119.04948	5.7
122.58463	0.8
123.05552	0.9
125.77673	0.9
127.03933	4.6
128.04549	0.8
135.89340	0.8
137.05978	100.0
138.06310	2.1
145.04951	7.2
155.07022	7.6
172.07213	2.1
179.07042	2.0
180.08655	4.5
191.31674	0.8
203.07077	1.5
215.74574	0.9
263.09207	2.2
293.06604	0.8
321.36868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13764	0.6
55.01873	1.5
56.23888	0.6
56.96555	2.5
57.03423	1.6
59.40581	0.7
60.04527	0.8
67.83902	0.7
69.00910	1.0
69.03426	1.7
70.06580	0.9
71.04857	0.8
71.11156	0.9
71.11497	0.9
72.08145	2.1
73.02911	0.9
80.86272	0.6
81.17252	0.7
84.04505	0.7
85.02901	2.3
86.03553	4.8
86.05981	1.0
86.09692	3.0
97.02892	1.7
97.22305	0.6
98.97585	0.8
98.98479	0.7
112.03850	0.7
112.06201	1.7
113.04599	9.7
113.07096	0.8
115.03951	0.8
116.98595	0.7
123.05549	4.3
126.05390	0.9
126.07775	0.8
132.10143	0.9
137.04591	1.4
139.02478	1.5
140.05664	2.4
141.04184	4.4
141.06448	100.0
142.04886	2.4
142.07274	5.3
146.99693	1.0
151.04993	0.6
152.05673	29.8
153.04047	1.7
154.07251	2.5
156.05157	1.4
165.00768	0.7
167.02049	1.0
168.05157	3.9
169.05951	47.3
170.06726	6.7
174.99075	0.7
180.05180	1.8
184.04662	1.7
185.05461	1.1
187.10722	1.2
190.98665	1.7
193.00148	1.2
198.06284	1.8
202.05707	31.1
226.05757	0.7
227.06487	2.8
232.06952	1.3
232.10226	1.2
232.99779	1.3
248.99290	0.7
267.69727	0.6
273.10651	5.5
293.02139	0.7
300.09485	0.9
301.10175	13.7
334.10037	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.76770	0.5
55.01849	0.7
55.05497	0.5
56.96563	2.6
57.03415	0.9
62.06072	0.9
63.75095	0.6
64.31186	0.5
65.12556	0.5
67.05501	0.8
69.03429	8.2
70.06573	1.8
71.04986	1.1
71.59438	0.5
71.59874	0.7
73.02894	0.7
79.05465	1.0
81.03414	4.4
81.07044	1.3
84.08146	0.6
84.11464	0.5
85.02901	4.0
86.09679	0.7
86.34982	0.6
89.03913	1.5
91.05484	1.2
93.07024	0.6
95.04933	0.9
97.02892	3.6
98.97598	1.0
99.04443	2.0
105.07024	0.7
107.04962	2.1
109.02883	2.6
116.04978	31.9
116.98576	0.7
118.06513	0.9
119.08587	0.7
120.08105	1.5
127.03909	2.0
127.68355	0.5
128.04932	2.3
130.08667	1.3
135.43605	0.6
143.00195	0.7
144.04431	3.6
146.06007	24.9
148.03925	9.8
161.01340	0.8
162.05469	0.7
163.03888	0.8
172.03929	100.0
173.04301	2.3
174.05429	0.8
187.05986	2.6
189.00803	0.7
190.04932	2.8
214.05139	0.5
231.01733	0.7
252.59627	0.9
283.09631	0.7
288.09045	0.9
309.07513	0.7
316.08102	0.5
334.09155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36322	2.7
55.01849	3.7
55.05502	3.0
56.96561	27.6
57.03428	12.1
60.04525	25.2
61.02644	3.6
61.02928	61.0
62.48224	2.4
62.49818	2.5
68.05013	3.0
69.03424	10.1
69.90432	9.3
70.02948	5.7
70.06580	7.7
70.53854	2.6
72.08141	9.6
73.02891	8.9
74.06078	5.4
74.97665	2.6
76.48335	2.4
80.05005	3.6
81.03407	5.2
83.00785	2.7
84.04487	11.7
84.08127	11.4
84.96034	3.0
85.02894	28.2
86.06071	10.0
86.09707	48.5
87.05603	5.1
88.03987	12.5
96.04494	3.3
97.02889	33.6
98.20798	3.2
98.97585	24.2
98.98457	15.9
102.05542	3.6
104.10751	2.7
107.00201	3.3
107.01809	3.7
109.02867	2.9
110.01286	8.7
111.00219	3.2
113.02383	5.8
113.03519	3.1
115.05037	10.4
116.07123	3.8
116.98624	26.1
118.01025	7.5
118.08623	2.7
119.01806	24.5
120.00754	3.9
123.05549	100.0
125.01817	3.9
127.03902	8.8
128.02318	37.0
128.98616	8.2
129.10297	3.6
130.04967	12.8
130.08612	2.7
132.00786	3.3
132.10187	13.1
134.99651	13.8
137.02853	14.8
139.53120	2.9
140.03423	2.6
141.01247	10.5
142.96498	6.8
143.02914	5.2
144.06564	3.2
146.99666	13.2
150.01820	22.7
152.00482	2.7
154.00244	2.8
157.06070	10.9
158.99635	6.3
159.02345	5.2
159.09105	3.7
160.97575	5.1
161.01228	4.1
161.02896	3.3
161.52718	2.6
162.01761	7.3
165.00745	6.1
169.02582	4.3
170.99631	4.7
171.04158	3.4
173.12880	11.1
174.99289	4.8
175.00745	4.4
175.07129	19.0
177.00674	7.7
177.02350	9.1
178.03159	5.7
182.01520	5.2
183.02353	9.8
184.01352	7.9
187.10762	4.5
188.97029	12.5
189.00661	13.4
190.03041	2.9
190.98714	3.9
191.02121	5.5
192.02887	16.6
193.00246	13.5
201.00650	7.0
201.12358	11.1
202.98624	8.2
203.06615	13.9
203.53773	3.4
204.02924	7.5
205.00125	4.1
205.01814	15.8
206.98134	8.7
207.01746	7.5
208.99608	3.0
213.03366	52.5
213.53564	5.3
214.02390	8.8
216.52583	3.8
219.01738	8.8
220.99689	7.0
222.03874	25.2
222.54152	4.3
226.02278	23.4
229.11746	3.9
230.98218	4.6
232.99742	4.6
233.54773	3.1
235.00761	3.7
235.02991	31.1
237.02827	5.7
244.03526	6.4
247.01305	3.7
247.12860	3.4
263.00790	5.8
302.14581	3.6
334.09341	2.7
335.07242	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	333.2633
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.05508	27.8
56.96563	19.6
67.05503	82.4
69.07052	40.9
69.07400	12.5
70.24619	17.9
70.25021	41.0
73.02903	9.9
79.05492	27.0
81.07058	89.5
83.08605	16.3
91.05482	27.3
93.07056	33.7
95.08602	88.3
97.06518	12.8
97.10172	10.4
98.98454	30.4
105.07042	21.5
107.08602	25.3
109.10155	40.8
111.08080	11.7
113.78630	9.9
119.08533	12.2
121.10152	24.6
123.11719	25.0
131.08603	20.1
133.10115	10.8
137.05991	20.1
151.07495	11.1
158.38832	13.0
159.11693	16.5
167.07088	24.9
256.13925	10.9
261.22174	24.1
278.07858	11.6
279.23169	100.0
288.10025	28.8
297.24219	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	333.2058
Annotation	Xeniolide F
Peak:m/z	Relative Intensity
53.03935	7.9
55.01831	4.4
55.05497	7.2
57.03417	2.9
67.05507	25.8
69.07047	5.0
71.42426	5.4
77.75756	2.6
79.05494	37.0
81.03413	100.0
81.07052	28.3
83.04963	3.2
91.05476	34.5
93.07049	41.6
95.04965	46.3
95.08618	28.3
97.06550	6.1
105.07024	40.2
107.04939	9.1
107.08605	19.2
109.06496	10.0
109.10157	16.1
115.05450	3.2
117.07000	10.8
117.49506	3.2
119.08553	24.8
121.06464	12.6
121.10126	8.5
123.08076	10.3
123.11655	4.2
125.05984	19.7
129.07002	8.3
131.08537	18.3
133.06456	7.1
133.10114	24.4
135.08061	22.1
135.11659	3.7
137.05943	6.7
137.09581	6.0
139.07536	7.2
141.06935	3.3
143.08575	3.7
145.10127	19.7
147.08043	7.2
147.11642	10.9
149.09583	18.0
149.13206	3.3
151.07503	4.2
151.11160	6.7
155.08508	3.5
157.10130	9.6
159.11684	13.6
161.09602	8.5
161.13202	3.6
163.11174	9.4
165.09117	5.1
169.10185	4.0
171.11603	5.2
173.09619	6.5
173.13222	4.6
175.11195	7.9
175.14787	12.0
177.12726	9.3
183.11723	3.9
187.14842	5.6
191.14296	5.3
195.11682	5.1
201.09204	3.5
203.14349	6.2
241.19817	3.9
251.17889	9.3
269.18954	24.0
279.17514	7.7
297.18515	23.2
305.71201	3.9
315.19519	13.2
333.20276	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.96554	1.4
57.03437	1.1
58.86706	0.9
67.05492	1.6
67.43900	0.7
69.07073	0.9
69.85857	3.6
77.00912	2.0
77.73428	0.7
78.01707	0.7
79.05497	3.2
81.07080	1.3
83.04963	0.9
91.05481	1.6
93.07056	1.8
95.01977	0.9
95.08600	1.1
97.06541	1.0
98.98459	1.7
105.07024	4.9
107.08607	1.5
109.55159	0.8
117.07067	1.5
119.08577	2.6
131.08583	1.5
133.10176	2.8
135.08076	1.6
145.10173	1.2
147.11697	1.2
159.11713	1.8
174.72307	0.9
186.44722	0.9
187.08235	0.8
189.12862	1.0
201.09715	1.5
223.11739	1.1
227.11215	1.8
239.11275	1.2
241.19617	1.1
245.12325	1.7
247.13098	2.9
257.12369	1.6
315.19330	7.5
329.48022	0.8
333.20377	100.0
334.20688	0.9
351.20657	3.7
356.20886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26706	0.7
67.05498	1.3
71.05862	1.7
77.00893	1.0
79.05478	0.9
81.07059	1.1
88.14347	0.8
93.07023	1.1
97.06525	1.7
98.98497	1.4
105.07002	2.0
107.08562	1.2
115.89825	0.7
119.08640	1.1
119.80796	0.6
124.75383	0.7
133.10138	1.9
136.29832	0.7
143.08522	0.8
143.30058	0.8
147.11667	1.2
149.02342	0.9
151.08882	0.6
193.05042	1.2
196.09431	0.7
215.11237	0.8
243.66325	0.7
263.11325	0.7
291.14557	0.8
315.18765	1.0
333.20352	100.0
334.20636	2.7
351.20169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
57.03436	0.6
58.99863	0.7
64.63988	0.4
66.76360	0.5
67.05503	3.2
68.48724	0.5
69.07071	1.0
70.66238	1.9
77.00902	2.8
79.05488	2.4
81.07051	2.0
91.05489	2.2
93.07053	2.0
95.01958	1.5
95.04959	1.0
95.08628	1.3
97.06540	0.6
98.98465	4.6
100.03220	0.6
100.98921	0.5
105.07011	3.0
107.08607	0.7
109.10171	0.6
117.07020	0.7
119.08576	3.9
121.10180	0.8
131.08591	1.1
133.10133	2.1
143.08582	0.6
145.10153	1.1
147.11681	0.9
147.66534	0.6
149.02342	0.9
159.11740	1.3
177.13084	0.5
193.05016	0.8
193.07309	0.5
195.09996	0.7
199.08189	0.8
201.09697	1.5
203.14268	0.6
211.08170	0.8
213.09766	1.8
215.11320	1.9
219.10744	1.4
227.11366	0.8
231.10733	4.3
233.12404	0.8
237.13426	0.7
241.19560	0.5
245.12379	1.2
253.12564	0.6
261.14633	0.6
302.24094	1.1
315.18204	2.2
333.20364	100.0
334.20639	0.9
351.20291	3.4
356.20895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20226	0.5
53.07295	0.6
56.96565	34.0
57.03428	0.6
67.05484	1.5
70.85966	1.6
71.95260	5.8
72.96049	1.1
74.97603	2.5
76.26801	0.5
79.05484	1.5
79.74064	0.6
80.55995	0.5
84.96030	2.2
91.05471	1.1
93.07040	1.3
95.08606	0.9
97.96803	2.1
98.97578	1.2
98.98462	1.0
105.00165	0.6
105.07020	2.0
110.97567	6.0
115.97811	2.0
116.98567	1.1
117.07024	0.6
119.08599	0.7
123.01186	1.9
128.98599	18.1
128.99556	1.1
131.00002	0.7
133.10129	0.8
133.98900	1.4
134.99680	0.7
137.02763	0.9
140.98386	0.9
141.02220	1.5
143.00084	2.1
146.98474	1.1
146.99649	19.9
152.00087	0.6
155.03796	1.9
159.67596	0.6
161.01239	3.3
161.04893	1.1
165.00743	4.3
165.78951	0.5
169.01776	1.3
169.05418	1.4
170.01247	1.6
171.03302	0.9
174.99030	1.1
175.02841	1.2
179.02286	1.9
181.05412	0.7
183.03268	1.1
185.04901	1.1
187.02737	0.7
187.06317	0.5
189.00635	1.3
189.04370	2.8
201.04372	0.8
203.02086	0.7
203.05925	2.2
207.06953	0.7
209.04854	0.6
225.08084	0.7
227.09552	0.9
241.11172	1.3
243.09015	0.7
245.10635	1.8
259.12170	1.1
263.09494	3.8
264.10233	1.0
265.11026	1.1
277.11261	0.7
281.10675	1.4
295.12329	0.6
303.12659	2.9
313.14774	0.9
315.16284	47.8
316.16678	1.9
317.14374	0.6
321.13672	1.1
331.15781	3.0
333.17352	100.0
334.17599	2.6
349.16730	1.0
351.18433	21.8
356.18912	13.2
356.22980	1.0
357.19394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.1
58.83754	0.5
69.03404	1.2
70.06580	1.9
71.33556	0.6
71.58906	0.9
79.05521	0.7
81.07050	0.8
84.08134	1.6
85.02901	2.1
86.09719	1.0
91.05481	1.3
97.02892	0.9
98.97588	3.0
98.98459	2.8
99.04382	0.7
105.07034	0.8
107.04962	1.7
108.05284	1.4
116.98606	2.8
120.08093	1.1
127.03920	0.9
129.10255	0.7
134.99622	1.2
137.05936	0.6
147.04369	0.7
150.09282	0.7
153.05507	0.9
158.99660	0.7
162.05547	0.9
171.09976	2.8
177.00667	1.7
207.05328	0.8
224.98058	0.7
227.08047	0.7
231.05370	1.0
234.99014	1.7
243.99078	0.6
293.15649	1.1
315.09781	3.1
333.15170	100.0
334.15506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94438	2.5
54.07607	2.3
54.87203	2.3
55.05506	7.0
56.96560	6.0
60.04528	100.0
62.81371	2.5
67.05511	14.9
69.03389	2.3
69.07045	5.1
69.51723	22.3
72.04525	12.8
79.05489	11.4
81.03403	2.9
81.07052	11.1
83.04976	3.9
83.08608	4.4
91.05480	10.1
93.07036	16.7
94.06551	3.6
95.04945	4.5
95.08597	10.5
97.06528	3.8
98.98481	13.6
105.07016	10.1
107.08611	7.7
109.10159	4.6
110.06047	2.9
120.90347	2.3
121.10126	4.9
131.08548	7.5
133.10120	4.2
135.08043	5.8
135.11737	3.2
139.56503	2.4
157.10054	2.6
197.07745	3.0
244.61453	3.0
250.92717	2.4
278.24774	5.3
296.25830	9.7
301.15543	4.1
314.26868	66.1
332.17468	13.4
332.67474	4.8
333.16946	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	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
55.09200	1.2
56.05034	15.7
56.96556	3.2
58.06606	7.8
60.04509	1.4
63.16871	1.1
69.03416	2.1
69.07059	3.9
70.06591	8.2
71.04377	2.4
71.04681	1.6
72.08157	53.8
73.04018	1.5
74.06081	46.4
79.05517	1.6
79.43695	1.2
81.03413	1.4
83.06093	1.6
84.04507	16.5
84.08154	7.4
85.02912	2.6
85.72781	1.1
86.06049	1.8
86.09705	71.2
87.10060	1.2
91.05494	3.4
92.04951	1.0
93.07016	1.4
95.08555	1.3
96.08142	1.4
97.10044	1.4
98.97599	1.4
98.97884	1.4
98.98466	9.9
101.07141	30.7
102.05506	2.4
106.70851	1.2
106.71564	1.2
107.04920	1.3
108.08127	2.6
110.07099	1.8
110.09669	4.5
112.07614	1.4
112.11232	2.8
116.98621	2.2
118.08650	3.7
120.08103	3.6
126.12799	1.6
128.10715	15.9
129.10246	8.9
132.10236	2.8
138.06314	1.7
142.12259	7.3
143.11775	6.5
144.06548	3.3
147.04414	2.1
148.33557	1.1
154.76874	1.3
155.11790	3.2
157.47768	1.3
159.11261	2.9
162.07629	3.5
165.55130	1.2
173.12859	100.0
187.14421	55.6
201.12363	32.8
215.13899	22.7
219.13393	8.1
223.14282	1.3
231.17055	3.2
273.03848	1.4
312.47815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
55.02424	0.6
55.05497	0.7
56.96562	1.3
60.04522	21.8
65.55641	0.6
67.05496	1.0
69.07069	6.1
70.02959	1.1
70.06584	2.8
71.59407	0.9
72.04521	0.8
72.08154	1.5
79.05468	1.0
81.03416	1.0
81.07063	0.9
84.08134	1.5
85.02895	2.4
85.06577	0.7
86.09704	93.6
87.05583	10.9
87.10043	0.9
91.05477	2.0
92.05828	0.7
93.07047	1.0
95.04929	0.7
96.06610	0.7
96.63524	0.6
97.02889	1.1
98.97533	0.6
98.98471	5.7
105.06563	1.6
107.04893	0.6
107.08578	0.9
108.08109	0.9
109.02849	0.6
110.09659	0.9
116.98600	0.7
119.04956	1.2
120.08076	0.8
121.02885	1.1
122.03573	0.7
126.09200	0.6
128.10721	11.1
129.10196	1.0
131.00151	0.6
132.10211	6.3
137.02425	0.6
137.05956	2.5
138.06326	1.7
151.07506	2.3
152.07890	1.5
159.08087	0.7
161.05925	0.9
162.06355	0.8
163.03958	1.1
164.04260	1.2
173.12856	100.0
177.00655	0.7
190.09509	0.9
194.11870	0.7
196.08426	1.5
201.12329	25.7
211.07088	0.6
219.13411	4.2
225.08588	0.6
226.09422	0.7
228.10992	0.7
237.02910	1.0
244.11746	0.8
245.18636	1.2
254.09206	0.7
256.10574	1.3
282.21771	0.6
283.09192	0.6
286.11804	1.4
288.12939	1.2
296.87848	0.7
303.04984	1.0
314.14658	0.6
332.14096	7.1
332.24606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
55.09200	1.2
56.05034	15.7
56.96556	3.2
58.06606	7.8
60.04509	1.4
63.16871	1.1
69.03416	2.1
69.07059	3.9
70.06591	8.2
71.04377	2.4
71.04681	1.6
72.08157	53.8
73.04018	1.5
74.06081	46.4
79.05517	1.6
79.43695	1.2
81.03413	1.4
83.06093	1.6
84.04507	16.5
84.08154	7.4
85.02912	2.6
85.72781	1.1
86.06049	1.8
86.09705	71.2
87.10060	1.2
91.05494	3.4
92.04951	1.0
93.07016	1.4
95.08555	1.3
96.08142	1.4
97.10044	1.4
98.97599	1.4
98.97884	1.4
98.98466	9.9
101.07141	30.7
102.05506	2.4
106.70851	1.2
106.71564	1.2
107.04920	1.3
108.08127	2.6
110.07099	1.8
110.09669	4.5
112.07614	1.4
112.11232	2.8
116.98621	2.2
118.08650	3.7
120.08103	3.6
126.12799	1.6
128.10715	15.9
129.10246	8.9
132.10236	2.8
138.06314	1.7
142.12259	7.3
143.11775	6.5
144.06548	3.3
147.04414	2.1
148.33557	1.1
154.76874	1.3
155.11790	3.2
157.47768	1.3
159.11261	2.9
162.07629	3.5
165.55130	1.2
173.12859	100.0
187.14421	55.6
201.12363	32.8
215.13899	22.7
219.13393	8.1
223.14282	1.3
231.17055	3.2
273.03848	1.4
312.47815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.96560	0.7
60.04525	21.2
61.44245	0.5
68.05020	0.7
69.03429	1.1
69.07071	0.5
70.02961	1.0
70.06591	0.8
70.15999	1.8
72.04514	1.0
72.08158	0.7
74.06177	0.4
79.05500	0.8
81.03422	1.5
81.07065	1.0
83.08618	0.5
84.04508	1.1
84.08158	0.9
85.02906	0.9
86.09706	87.0
87.05591	13.9
91.05482	2.5
92.05812	0.5
93.07040	0.7
94.06555	0.5
95.04981	0.8
96.08089	0.4
97.02860	0.7
98.21457	0.5
98.98460	3.3
105.07036	1.3
107.08601	0.8
108.08070	0.5
109.02869	1.0
112.11223	1.1
116.98622	0.6
120.06405	1.0
120.08088	1.2
126.09122	0.6
127.03925	0.8
128.10718	10.7
130.06522	0.8
131.04984	0.6
132.10211	5.5
134.05992	1.4
137.05994	1.6
138.06316	1.4
148.11180	0.9
150.05461	0.7
151.05904	0.8
151.07510	1.3
152.06984	1.0
153.07448	0.8
155.08641	0.5
156.10220	0.5
158.06055	0.5
166.05020	1.0
173.12862	100.0
174.13297	0.8
178.07544	0.6
180.52185	0.5
190.09523	0.5
194.11765	5.1
201.12346	27.2
219.13380	1.8
237.59042	0.6
245.18639	3.0
270.13098	0.7
286.11566	0.6
298.12231	0.5
332.12561	1.5
332.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
56.05037	1.1
56.96556	2.5
59.04852	1.9
60.05665	4.0
69.03399	1.5
70.06592	15.2
71.59978	0.8
72.08154	18.8
73.06412	2.5
81.03384	0.8
81.07034	0.9
83.06059	1.1
84.04484	1.5
84.08144	1.7
85.02944	1.9
86.06802	0.8
86.07200	9.5
86.09710	23.5
87.07965	3.7
90.07708	0.8
91.05460	1.6
93.07027	0.9
93.94253	0.8
96.06860	1.9
97.02899	0.9
97.07655	6.2
98.06059	14.5
98.97591	1.6
98.98476	7.6
100.08722	1.8
100.61190	0.8
103.99871	1.0
106.04167	0.8
107.04934	2.8
112.08739	5.6
114.10288	25.5
115.08710	9.7
116.98617	2.3
119.04904	2.7
131.12924	1.5
134.03630	38.3
134.99603	1.1
135.04317	1.2
137.05887	1.0
140.08159	1.4
146.06015	1.9
146.99670	0.9
147.04405	3.0
152.08170	1.1
153.05453	1.4
153.09163	0.9
157.09694	1.2
157.10870	16.6
157.13412	1.0
162.03122	20.3
162.05235	0.9
163.03909	8.7
164.04552	1.0
174.05484	8.9
175.03854	1.0
176.06995	1.8
177.00668	0.9
178.04968	3.2
184.03955	1.9
199.18080	5.6
202.04987	25.5
203.05324	1.1
203.11778	0.9
219.13535	1.1
221.60416	0.9
227.17526	2.4
231.11298	2.7
232.09706	2.8
232.12067	9.5
233.10471	22.3
250.12892	1.2
272.13882	3.1
273.12378	5.1
274.11954	3.1
275.12689	9.1
291.14487	5.1
292.15292	100.0
293.15625	3.0
309.06088	0.8
315.14569	4.3
332.17154	67.2
333.11447	1.1
333.17502	2.5
349.19766	1.0
351.23480	0.9
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	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.13552	1.1
56.05031	3.5
56.96556	1.8
57.03437	1.4
58.06602	1.0
61.02911	2.2
69.03429	4.1
70.06597	8.2
71.04974	0.9
71.41447	2.5
72.08155	11.0
74.06082	6.4
79.05476	2.3
81.03433	1.1
84.04521	5.1
84.08138	3.0
85.02905	14.4
86.09703	10.8
91.03977	1.0
91.05460	1.6
95.04978	5.1
97.02905	4.3
98.97564	1.0
98.98458	8.8
101.07112	4.6
102.05552	1.6
104.05351	1.2
107.04955	100.0
108.05276	1.0
109.02838	1.3
110.09663	1.3
116.98606	1.6
120.08120	2.0
127.03927	3.3
128.10710	3.8
129.10242	2.7
134.99637	1.0
135.04407	23.4
135.81357	1.1
137.05988	1.6
151.07509	1.2
153.05463	59.8
173.12868	23.4
185.16513	1.1
187.14458	3.8
201.12292	5.9
215.13904	1.1
247.02226	0.9
279.86664	1.0
286.11359	1.2
332.13846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03948	0.8
57.03418	1.1
61.02914	1.7
65.03931	1.3
67.05489	2.1
68.05019	0.6
69.03433	6.2
70.95586	1.1
71.05006	0.6
71.79839	0.5
73.02905	1.8
79.05521	1.0
81.03406	1.3
85.02913	6.8
87.04447	1.6
91.03957	0.6
92.05025	0.6
93.05801	0.8
96.08177	0.7
97.02887	3.2
99.04465	0.7
106.06547	4.3
108.08115	100.0
109.02889	1.4
109.08445	1.3
123.06828	4.6
124.07598	14.4
127.03924	1.3
134.06030	10.1
136.07578	15.9
145.04988	0.6
152.07065	71.7
154.08600	1.1
169.41644	0.5
170.08095	6.1
176.76765	0.6
314.12320	38.4
315.12680	1.0
332.13397	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11333	1.7
53.03932	2.4
55.01842	3.4
56.01162	1.8
57.03426	4.8
61.02929	10.3
69.03422	16.7
69.23289	1.6
70.89336	2.1
70.89693	4.9
71.04990	3.0
73.02898	2.5
81.03424	9.6
83.69795	2.0
85.02902	100.0
86.09712	4.4
87.04446	1.7
91.03936	5.6
97.02894	25.9
98.98470	9.0
99.04440	5.0
103.03940	2.4
107.04947	35.6
109.02860	6.8
127.03913	25.6
145.04962	38.4
153.05452	12.1
162.07603	1.9
163.06020	7.4
164.31036	2.0
170.08078	4.3
173.05960	3.9
180.08644	11.1
219.06474	4.7
230.44025	2.0
278.94501	1.8
294.25168	2.0
314.17780	2.0
332.13275	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01863	1.0
56.10509	0.5
57.03433	1.7
59.64551	0.5
61.02927	1.9
65.03940	1.3
67.05496	2.6
69.03427	7.7
70.06589	1.0
71.04980	0.6
71.58705	1.1
72.08141	1.4
73.02919	2.0
79.05477	1.4
80.04989	0.6
81.03411	1.5
81.07056	0.7
85.02903	10.7
86.09694	1.4
87.04452	2.1
89.80589	0.5
93.05792	0.8
96.08121	0.9
97.02865	4.0
99.04434	0.8
104.10727	3.5
106.06551	4.6
108.08112	100.0
109.02891	1.3
109.08447	1.4
110.06076	0.8
112.89645	0.7
119.01920	0.8
122.06055	0.7
123.06826	3.6
124.07590	16.0
127.03915	3.1
134.06015	10.1
136.07562	14.9
136.08537	1.0
145.04921	1.4
152.07062	71.2
153.07433	0.9
154.08632	1.7
161.05566	2.3
168.34470	0.6
170.06050	1.9
170.08089	6.5
170.09325	0.7
180.55386	0.6
195.58722	0.5
201.98027	0.6
217.74310	0.6
219.07080	1.1
231.07158	0.6
242.08258	0.7
251.08707	0.7
314.12323	39.6
315.12567	0.7
321.10138	2.2
332.13367	52.1
333.10400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05505	12.3
57.03433	8.7
57.07073	100.0
67.05497	23.7
69.07061	17.1
69.43833	16.3
71.08626	71.7
75.04483	3.5
76.14450	2.5
81.07052	34.5
83.08617	29.7
85.10178	36.4
91.05500	3.3
93.07055	3.6
95.08604	64.6
97.10170	12.7
97.66573	1.9
98.98461	41.2
99.11726	3.3
102.51315	1.9
106.95512	2.6
109.10155	27.4
111.11704	3.2
117.07011	2.6
119.08549	2.2
123.11673	11.2
137.13231	4.8
145.10156	2.7
151.14833	2.6
176.98880	3.8
185.80481	2.0
239.23732	16.1
257.24741	6.5
295.16678	2.2
313.27353	59.8
331.08145	2.3
331.33878	3.3
350.30676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.1
57.03429	5.9
57.07075	100.0
65.15999	2.2
67.05505	30.7
69.07074	17.9
70.06580	8.0
70.87048	4.7
71.08631	72.6
75.04493	2.5
81.07056	36.9
83.08626	26.0
85.10188	33.3
88.07625	12.7
89.06028	2.4
89.07950	3.5
91.05481	4.7
93.07020	5.1
95.08605	50.6
97.10168	12.2
98.98461	47.2
99.11730	2.7
105.07049	3.9
106.08677	5.5
107.08597	3.7
109.10153	32.0
111.11725	3.3
119.08556	5.0
123.04199	2.3
123.11731	13.2
125.13230	2.3
135.08066	2.9
137.13243	6.5
149.13144	2.3
174.99124	3.8
176.98930	3.8
191.14273	7.8
222.93437	2.4
239.23701	15.5
257.24738	5.5
313.27390	58.8
313.32910	4.8
331.22580	8.1
331.33969	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.6
56.96559	3.4
57.03419	4.6
57.07076	59.7
58.60577	1.3
58.82510	1.2
67.05504	12.2
68.33162	1.3
69.07056	10.9
69.35165	1.4
69.76627	1.1
69.84803	6.0
69.85210	2.8
69.95187	1.3
70.06602	8.4
71.06924	2.0
71.08632	40.8
75.04469	1.6
79.05480	2.0
81.07056	20.8
83.08617	12.9
85.10179	22.6
86.47122	1.3
88.07635	11.5
89.07952	2.8
95.08604	32.4
97.10166	8.3
98.21423	1.6
98.98470	15.0
102.09162	2.1
103.09504	1.4
104.55197	1.3
106.07449	1.3
106.08649	5.6
106.38466	1.5
109.10162	14.7
111.11702	3.2
115.66953	1.4
119.08662	1.6
122.02335	1.3
123.11703	6.0
137.13239	4.6
151.14853	1.3
221.22621	1.5
239.23721	10.7
257.24695	2.7
286.78177	1.5
313.27350	32.7
313.32837	7.2
331.33978	100.0
339.21692	1.4
340.52704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73380	3.1
55.05501	14.2
55.24317	3.2
55.93507	3.5
56.69064	3.0
57.03426	6.4
57.07075	100.0
60.67617	2.9
60.75680	3.4
67.05506	25.0
69.07064	17.8
69.94289	3.1
70.77971	3.5
70.78323	9.6
71.08630	68.7
74.66199	3.2
75.04483	6.2
79.05494	3.8
81.07056	37.8
83.08608	26.9
85.10184	42.7
88.07604	6.0
91.05454	6.5
93.07039	4.8
95.08609	54.3
97.10161	16.8
98.20808	3.9
98.98460	65.8
105.07058	4.1
106.08717	4.1
107.08568	3.2
109.10164	25.4
111.11768	3.5
112.07349	3.8
112.51331	3.3
123.11700	14.7
137.13232	6.8
140.01085	3.4
176.98956	5.2
197.86726	3.6
211.23418	4.0
219.79004	3.6
239.23761	19.7
257.24863	9.2
313.27414	54.6
313.33002	5.0
331.22614	10.8
331.33957	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	331.2479
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.63873	2.1
53.75613	2.4
55.01855	4.8
55.05511	13.7
56.96547	3.0
57.03424	2.6
60.04535	10.7
67.05506	22.5
69.03418	3.4
69.07072	18.4
69.59082	14.3
79.05488	14.4
81.06647	2.4
81.07063	28.9
83.04958	4.0
83.08620	7.0
85.06518	2.6
87.04428	2.2
88.29540	2.0
91.05468	13.8
91.10717	2.0
93.07050	20.3
95.04974	4.2
95.08608	20.0
97.06537	5.8
97.10158	10.4
98.21566	4.5
98.98469	100.0
105.07011	8.4
106.04195	2.7
107.08612	12.5
109.10139	8.7
116.99471	6.7
117.07005	2.3
119.08573	9.0
121.10145	17.2
123.08055	9.7
123.11649	4.3
125.09618	5.1
131.08572	5.9
133.10173	2.8
134.99699	3.0
135.11650	9.2
137.05948	4.5
139.11172	4.9
143.08582	2.0
145.10118	4.4
147.11650	4.8
149.13226	3.6
151.07574	3.9
153.12746	3.8
159.11681	4.0
160.09619	2.2
161.13423	2.7
165.06989	3.9
174.99232	3.1
175.14885	4.6
176.98927	8.5
181.06487	3.3
183.08031	3.6
189.11218	4.6
211.07510	3.1
213.05495	3.1
225.09091	2.9
249.22113	4.4
253.08653	3.9
256.07108	2.7
259.20523	4.5
277.21603	32.4
295.22607	15.3
299.09097	3.2
331.08115	5.0
331.11749	36.4
331.18625	2.8
331.22607	5.0
331.26569	3.5
332.12170	2.7
336.98962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2478
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.38018	2.7
52.04383	2.8
55.05495	3.8
56.59763	2.4
56.96560	10.3
66.56443	2.3
67.05487	7.4
69.07054	5.9
70.15026	2.9
70.99236	5.3
79.05504	9.5
81.07042	8.1
93.07049	4.2
95.08604	9.6
98.98465	100.0
100.98920	4.1
102.14377	2.9
105.07034	4.9
107.08581	3.1
116.99495	3.2
119.08569	4.6
121.10114	5.6
125.63281	2.8
131.08531	4.8
145.10130	4.1
157.10121	3.0
166.41702	2.7
174.99232	5.4
176.99014	3.3
247.13020	3.1
261.14343	3.3
277.21460	3.7
277.40842	3.1
295.22638	5.7
331.11807	3.4
331.15250	3.7
331.18799	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.57017	0.5
65.70140	0.6
70.19385	1.4
83.84887	0.6
98.21444	0.7
98.98475	7.7
104.79879	0.6
122.64814	0.6
176.98972	0.7
210.42801	0.6
331.22433	100.0
332.22842	1.8
351.65262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2476
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.05516	30.4
67.05510	81.0
69.07061	32.4
70.21573	27.3
71.04984	19.9
79.05494	46.2
81.07060	65.5
83.05006	12.5
83.08631	17.8
85.06552	11.5
87.09815	4.9
89.15041	5.6
91.05472	28.3
92.41156	5.8
93.07046	64.1
95.08607	68.1
97.06544	9.3
97.10172	11.4
98.98462	71.6
99.08086	14.3
105.07055	11.3
107.08588	41.0
109.10166	22.7
111.11656	7.1
119.08528	11.2
121.10145	64.9
123.11703	8.5
125.09676	10.5
129.07057	6.7
131.08513	9.8
133.10165	16.5
135.11687	38.3
139.11189	13.6
145.10126	11.1
147.11674	8.1
149.13269	15.2
153.48245	6.7
171.11646	6.0
173.13133	6.7
185.11848	8.1
189.11235	7.2
199.07605	5.9
203.12790	10.6
241.19324	6.5
259.20624	23.8
270.05368	10.4
271.09363	5.7
276.92975	6.9
277.21606	57.7
287.05450	8.2
287.38528	5.6
295.22659	16.3
315.05026	49.0
315.68985	5.8
316.05649	9.7
323.85327	5.3
331.08121	100.0
331.11746	12.6
354.24307	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	331.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01869	3.8
55.05506	23.9
56.96557	11.4
57.03427	11.7
57.07050	3.3
61.02940	3.2
67.05506	30.3
69.03429	83.2
69.07069	26.7
71.04982	14.1
71.60349	4.7
79.05486	24.4
81.03420	22.1
81.07053	58.1
83.04974	5.5
83.08596	14.7
85.02891	4.0
85.06532	8.0
87.04479	3.8
91.05483	23.7
93.07049	20.6
95.04946	6.7
95.08605	69.7
97.02905	3.2
97.06530	48.2
97.10138	3.4
98.98464	100.0
99.04453	56.8
99.08111	5.4
105.07015	23.6
107.04962	2.7
107.08606	11.6
109.06548	5.0
109.10166	6.9
113.46030	3.0
116.98624	4.5
116.99491	7.8
117.05481	26.7
119.08577	29.5
121.10130	12.1
123.08041	4.2
123.11711	2.5
131.08563	4.5
133.10133	16.4
134.99619	2.5
135.11656	12.9
137.06013	3.3
137.09627	3.4
137.13232	8.7
143.08554	4.9
147.08031	2.5
149.01234	6.0
161.05957	6.6
161.13249	39.6
161.48642	2.7
167.02275	2.6
174.99197	5.5
175.07567	3.9
176.98946	5.2
177.00517	3.0
179.14322	24.5
180.60439	2.5
185.09554	4.1
189.09129	5.4
191.79950	2.3
197.15352	5.6
199.07523	2.7
199.11165	3.4
217.08665	4.4
250.09618	10.0
270.12711	2.4
313.14478	3.3
313.20126	16.0
331.08243	3.3
331.11749	9.9
331.15378	12.1
331.18805	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
53.03951	9.0
55.05500	11.5
57.69041	4.8
61.72609	4.7
65.58740	4.8
66.06244	5.4
67.05496	30.8
69.07082	11.8
71.05684	10.6
79.05081	6.2
79.05493	26.4
81.03417	89.6
81.07056	25.5
83.08608	5.3
91.05475	55.0
93.07034	32.4
95.04967	53.5
95.08609	26.8
98.98462	93.7
105.07037	44.2
107.04955	8.0
107.08598	23.9
109.06548	8.7
109.10126	16.1
112.57524	5.8
117.07034	36.7
119.08574	26.5
121.06521	14.4
121.10182	6.6
123.08099	9.3
128.06285	10.1
129.07007	23.5
129.66254	4.5
131.04915	12.1
131.08572	38.8
133.06488	9.8
133.10123	15.3
135.04425	9.6
135.08041	29.3
135.11670	7.4
137.05975	9.0
137.09645	6.3
141.07025	7.8
143.08571	18.8
145.06496	7.1
145.10136	26.2
147.08017	9.4
147.11685	12.6
149.09650	27.3
151.07576	8.3
155.08531	17.3
157.06473	7.0
157.10104	12.7
159.08070	10.4
159.11710	12.5
163.07552	14.5
163.11113	8.7
167.08496	7.1
168.09224	6.1
169.10114	15.5
171.08116	10.2
171.11673	7.3
173.09570	7.4
173.13280	13.5
175.07561	7.1
175.11119	5.7
176.98869	6.1
177.09090	9.5
181.10136	13.0
183.11694	12.2
185.09567	7.0
185.13313	8.8
187.11166	24.0
189.12735	9.3
191.10727	6.2
193.10181	8.9
195.11673	9.1
197.09573	9.8
197.13226	8.9
199.07564	9.6
201.09224	6.0
201.12752	12.1
203.10548	6.0
207.13785	13.7
214.40204	5.8
219.12012	5.6
219.13770	29.9
223.14801	11.6
225.12711	6.2
239.17883	12.1
245.11803	5.3
249.16435	10.6
262.77722	5.1
267.17450	43.4
277.15921	7.0
283.16919	23.0
285.18546	23.1
295.16891	33.4
301.17920	24.1
301.72458	5.8
313.17993	100.0
313.21603	6.3
331.19064	66.6
331.30502	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	331.1902
Annotation	Triptoquinone B
Peak:m/z	Relative Intensity
53.03941	2.8
54.08321	2.5
55.05522	2.6
56.96548	6.1
57.03413	2.9
57.07081	6.5
58.19031	2.7
66.25194	3.0
66.54272	2.8
67.05497	8.6
69.07066	8.0
71.17381	7.0
72.08152	5.5
79.05496	11.1
81.03415	34.4
81.07036	10.2
83.08614	3.6
87.04462	5.2
91.05473	19.2
93.07040	11.0
94.31484	2.6
95.04955	16.9
95.08619	10.0
97.06539	7.5
98.98462	100.0
101.06046	3.4
103.05470	8.0
105.07043	20.2
107.08606	8.6
109.10140	5.0
116.99536	7.2
117.07025	9.9
119.08564	11.0
121.06530	5.3
121.10141	5.3
123.08041	3.5
129.07034	5.4
131.04945	11.9
131.08566	9.8
133.10095	6.2
135.08063	6.3
139.36719	3.1
142.07787	3.8
143.08620	9.8
145.10141	8.5
149.06013	5.1
149.09631	5.9
155.08525	4.8
156.09276	3.4
156.17540	3.7
157.10149	8.1
159.11728	7.3
161.02972	3.1
167.08598	4.3
169.10127	6.1
171.11621	3.4
173.13223	4.1
174.99225	3.9
176.98996	8.3
181.09995	2.9
183.11748	3.9
185.13185	5.6
193.10184	4.4
195.11702	3.9
201.12814	3.6
239.17873	3.8
249.16518	4.5
255.17545	4.1
267.17401	8.2
269.30389	8.6
272.32819	3.3
285.18539	4.4
295.16992	4.9
305.33252	3.1
311.16934	4.3
313.17950	13.5
331.08218	4.9
331.18900	18.1
331.22574	5.1
331.30371	11.3
331.34036	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1882
Annotation	AM4299A
Peak:m/z	Relative Intensity
53.52339	1.4
56.96571	7.9
67.05505	3.5
69.03432	1.2
69.07059	3.0
70.06780	5.5
71.95247	1.5
79.05487	4.5
79.21995	1.0
79.52415	1.4
81.03423	2.2
81.07066	3.6
91.05498	4.1
93.07053	3.6
95.04980	2.3
95.08572	2.9
97.06522	5.8
98.98470	48.0
100.00193	1.1
102.56232	1.1
105.07039	5.1
109.06568	1.9
109.10155	2.3
116.98643	1.5
116.99522	2.0
119.08595	3.9
121.06545	1.8
131.08589	3.0
133.10120	1.6
137.05984	1.9
143.08604	1.3
145.10141	2.2
157.10095	1.8
159.11707	1.8
161.06015	2.0
161.09743	1.6
163.07753	1.4
174.99286	2.3
175.11185	1.5
176.98921	4.3
199.07726	1.3
275.13052	2.5
313.14670	5.3
313.18021	8.5
331.18875	100.0
331.22147	4.7
332.19064	4.5
349.18002	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1898
Annotation	Sarcostolide F
Peak:m/z	Relative Intensity
55.05502	3.5
56.96556	5.9
59.21226	2.5
66.63041	2.4
67.05499	7.9
69.03403	2.7
69.07068	5.8
71.60744	4.2
79.05480	7.8
81.03419	11.4
81.07053	5.8
83.04993	3.2
85.06522	2.4
91.05479	9.3
93.07053	7.1
95.04984	12.8
95.08598	7.6
97.06512	4.4
97.10183	2.9
98.98468	100.0
105.07023	12.9
106.39014	2.6
107.04973	3.4
107.08608	4.8
109.10122	3.8
115.05458	2.3
116.99537	5.0
117.07011	7.1
119.08592	7.6
121.10105	3.6
131.08548	9.7
133.10104	3.2
135.08037	5.8
141.06892	3.0
142.07849	2.6
143.08571	5.5
145.06442	4.0
145.10150	7.5
149.09596	5.5
155.08549	3.8
157.10132	3.5
159.07959	3.6
159.11650	4.8
165.06984	2.7
171.08049	3.6
173.13214	3.2
176.98970	10.7
181.10133	3.8
183.11751	3.8
185.09671	3.1
187.11255	6.0
197.13359	3.2
219.13779	4.6
239.18065	4.1
267.17487	7.1
283.16846	5.1
285.18359	5.1
295.16940	5.3
301.18033	3.5
309.13806	5.4
313.18048	11.9
331.08066	2.9
331.12616	4.1
331.18918	63.2
331.22531	9.0
331.33569	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05516	2.1
57.07074	100.0
61.56412	1.7
64.31576	1.7
67.05504	2.9
69.03432	8.2
70.66454	6.0
77.87207	1.9
81.03424	11.2
81.07067	2.1
85.06541	82.4
95.08659	3.2
97.02892	96.8
98.20791	1.8
98.98466	28.7
99.04485	3.4
103.07594	5.3
109.02868	41.3
121.91427	1.9
127.03905	53.1
151.40431	1.7
165.14383	2.0
168.36127	1.8
169.36620	1.8
181.08588	5.8
206.74268	1.8
211.09737	7.4
331.22696	2.2
331.26364	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	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.86030	0.9
52.40955	1.0
53.03941	1.8
55.01869	1.5
55.05492	2.7
56.96554	1.5
65.03934	1.5
67.05515	2.7
69.03416	2.1
69.07043	1.2
74.30418	1.0
79.05485	6.3
81.07058	4.4
83.04984	2.0
83.08637	1.9
85.02943	1.5
91.05483	33.9
93.07054	2.2
94.04182	4.8
95.04970	7.9
95.08611	3.6
97.02899	1.4
97.06511	1.8
98.98470	45.4
100.11256	2.1
100.98917	1.3
101.10581	1.1
103.05475	5.8
105.07027	5.9
107.04961	7.9
107.08553	2.3
108.05786	1.0
109.06538	6.2
109.10204	1.3
111.04464	2.5
115.05485	3.4
116.99496	2.5
117.07043	2.7
119.04945	19.0
119.08572	3.1
121.06523	9.2
121.10174	1.4
122.03649	7.2
123.04438	1.7
123.08081	2.3
125.09621	2.6
128.06215	5.4
129.07001	14.9
131.04927	5.0
131.08577	3.6
133.06503	3.0
134.03723	1.5
135.08051	5.6
136.05211	4.6
137.05980	85.8
141.06996	1.8
143.04910	1.5
143.08597	2.0
145.06470	5.1
145.10133	1.7
147.04446	2.6
147.08086	1.7
148.05188	1.5
149.05968	14.2
150.06741	1.4
151.03928	4.5
151.07544	100.0
152.06226	3.8
153.06979	3.0
157.06487	12.7
160.05185	1.4
161.05992	15.9
161.09622	5.4
163.07555	23.9
165.05698	2.2
165.07008	14.4
165.09097	5.5
166.07762	4.6
167.08571	15.0
169.06483	3.7
169.10161	1.5
173.06036	1.5
174.06740	7.8
174.99355	1.2
175.07555	6.4
176.08354	1.4
176.98918	3.4
177.05551	1.5
177.06966	1.9
177.09134	3.8
178.07770	6.5
179.08531	3.8
181.06502	6.9
181.10106	2.1
181.30559	1.1
182.07283	5.7
183.08052	3.4
189.07391	1.9
189.09114	36.3
191.08615	2.0
192.09346	2.0
193.06471	8.5
193.10167	9.0
194.07245	3.5
195.08044	24.6
196.08833	1.7
197.05986	6.7
197.09593	1.7
199.07582	1.3
202.07863	1.9
203.08543	2.5
205.06476	1.7
206.07253	2.6
207.08398	1.2
207.10155	6.5
209.05968	4.5
209.09627	3.1
210.06755	11.6
211.07635	5.2
212.08223	5.5
213.09059	3.0
219.08278	1.2
220.08936	2.2
221.06097	12.0
221.09569	12.0
222.06680	2.0
223.07527	12.6
224.08310	4.8
225.09117	10.9
227.07001	4.2
227.10678	32.5
228.07835	1.2
237.09137	3.3
238.06271	7.9
239.07031	4.1
239.18062	1.5
240.07759	3.5
241.08611	2.8
241.12149	2.5
249.09094	5.7
251.06889	1.7
252.07809	3.5
253.08603	19.1
253.12256	18.5
255.06396	1.8
255.10181	34.4
256.10703	1.6
263.10782	1.3
266.09369	2.3
267.10010	9.4
269.08124	5.1
269.11658	2.4
270.08795	1.6
272.10397	3.6
281.11691	6.1
284.10306	2.0
285.11224	20.5
285.18393	1.5
287.12781	47.1
287.19922	1.4
298.11923	1.9
299.12671	1.7
301.14346	2.0
313.14395	12.6
321.10718	1.1
331.11536	7.3
331.15445	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01876	1.8
55.05498	2.4
56.96570	11.2
57.03431	5.4
59.04987	2.6
63.62449	1.8
63.73338	1.7
65.03934	3.4
67.05506	4.2
69.03429	3.3
69.63500	3.8
69.63908	9.5
71.04992	21.2
79.05486	5.6
81.03398	6.0
81.07031	4.1
83.04974	6.1
84.96033	2.9
85.02898	30.3
87.04421	1.9
88.08102	1.9
91.05473	37.0
93.07039	3.3
94.04175	3.3
94.06545	3.2
95.04957	9.1
95.08614	2.4
97.02890	10.5
97.06527	2.2
98.97545	3.5
98.98462	64.2
103.05465	6.8
105.07032	6.4
107.04948	9.2
107.08611	2.6
109.02879	7.6
109.06506	7.6
111.04440	3.3
115.05448	3.8
116.98702	3.6
116.99467	3.5
117.07013	3.3
119.04942	23.6
119.08540	2.5
121.06478	10.3
122.03645	10.0
123.04411	2.5
123.08044	2.7
125.09696	2.1
128.06210	5.8
128.98596	2.5
129.05481	2.4
129.06978	19.2
131.04945	7.0
131.08617	2.7
133.06479	4.0
134.03722	2.1
134.06035	3.4
134.99660	3.1
135.04402	4.7
135.08041	8.5
136.05154	3.1
137.05969	94.5
141.07025	2.4
143.00168	2.1
145.02847	4.0
145.06516	4.9
145.10161	4.0
147.04379	2.5
147.08055	2.1
148.05280	3.1
149.05951	12.6
151.03952	5.4
151.07538	100.0
152.07143	3.7
153.06921	2.4
157.06444	15.3
161.01219	3.2
161.05965	18.2
161.09621	5.1
163.03885	22.8
163.07523	23.2
165.06992	15.6
165.09111	5.0
166.07745	2.6
167.07202	4.3
167.08536	20.2
169.06458	3.2
170.09676	2.9
174.06798	6.3
174.99239	2.3
175.07558	6.4
176.98900	3.2
177.09157	4.7
178.03911	6.0
178.07777	6.7
179.08493	3.6
181.06482	4.5
182.07211	4.4
183.08054	2.2
187.12238	3.3
189.09099	33.3
192.09285	3.6
193.06528	7.7
193.10121	10.6
194.07370	3.3
195.08014	22.5
196.08861	3.8
197.01265	4.3
197.05995	5.1
197.75615	1.9
198.09085	3.3
199.08772	3.5
200.09372	2.7
203.08577	4.2
207.08130	1.9
207.10088	5.1
209.05864	2.1
209.09648	4.5
210.06717	11.7
211.02847	7.1
211.07443	4.3
212.08295	4.5
213.10338	2.7
214.10883	3.9
215.11786	8.5
219.01596	2.0
221.06000	7.3
221.09583	15.7
223.07527	15.8
223.57269	2.2
224.08327	3.8
225.08913	9.5
227.07074	3.1
227.10596	33.5
229.03860	6.7
237.00751	4.8
237.09187	3.6
238.06287	4.1
238.09830	2.4
239.02237	2.4
239.07091	4.5
240.07808	2.8
242.10555	3.3
243.11288	44.4
249.09094	6.8
253.08617	18.9
253.12193	22.1
255.01782	8.0
255.10159	33.3
267.10168	7.5
269.08118	5.1
269.12277	2.5
270.08722	2.1
271.10837	19.2
272.10550	4.4
273.02808	11.8
281.11774	8.2
284.10577	2.9
285.11539	20.4
287.12790	38.7
303.13412	26.3
313.11234	17.1
313.14435	8.3
323.93793	2.2
331.12518	4.3
331.17484	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.05512	16.4
56.52619	1.5
56.96553	4.5
57.08803	1.7
59.04988	2.5
65.03931	1.4
67.05511	3.2
69.03425	10.8
70.06580	3.2
70.29601	1.9
70.29936	6.4
71.04996	3.0
72.08147	6.2
79.05483	3.1
79.90254	1.6
81.03410	6.6
81.07043	2.5
83.08624	13.7
85.02894	5.2
86.09702	3.5
89.03867	1.7
89.71985	1.7
91.05483	32.8
95.04972	6.8
97.02888	3.3
98.97563	2.4
98.97814	2.6
98.98466	33.3
99.04463	8.5
101.02470	1.5
101.09654	4.6
103.05441	5.2
105.07029	3.8
107.04935	5.8
109.02856	3.5
109.06493	4.1
111.04424	2.9
115.05421	2.6
116.98617	2.0
117.06932	1.9
119.04952	15.3
121.06487	7.7
122.03636	8.4
127.03882	6.1
128.06213	5.2
129.07021	13.6
129.09157	2.0
131.04926	9.1
131.08594	2.6
133.06525	2.3
135.08044	4.8
136.05193	2.9
137.02379	1.5
137.05981	80.2
143.03336	2.3
143.04955	2.5
144.05629	2.1
145.04932	2.0
145.06500	3.9
149.05972	14.8
151.03943	2.7
151.07547	100.0
152.06152	4.3
153.06938	2.3
157.06538	12.0
161.06003	17.1
161.09613	3.1
163.07579	19.7
165.05736	1.6
165.06956	8.5
165.09140	5.4
166.07784	5.1
167.08533	16.3
169.06485	3.8
174.06804	6.9
175.07526	4.7
176.98955	2.0
177.06879	2.3
177.09169	3.5
178.07748	6.8
179.08441	2.8
181.06509	4.4
181.10268	1.7
182.07222	4.7
183.08075	2.1
187.06024	1.6
189.03880	1.6
189.09091	29.2
193.06557	8.5
193.10136	7.6
195.08075	25.6
196.08801	3.0
197.06096	3.8
203.08580	1.9
207.08018	2.3
207.10144	4.5
209.06018	2.6
209.09708	3.7
210.06799	12.0
211.07556	2.8
212.08334	4.7
213.03949	5.9
219.07938	2.0
220.08841	2.4
221.06059	9.3
221.09648	11.4
222.06706	2.1
223.07590	12.6
224.08279	5.5
225.05463	3.3
225.09132	9.3
227.10660	30.1
231.05049	4.0
237.02782	3.4
237.09071	4.4
238.06219	5.2
238.09862	3.5
239.04007	1.5
239.10660	1.6
240.07744	6.0
249.09116	7.8
252.07845	2.6
253.08589	16.6
253.12251	15.2
255.10162	32.9
267.10162	4.7
269.08081	4.1
269.11731	2.7
270.09134	1.8
272.10452	3.2
281.11697	7.5
285.11206	20.7
287.12775	41.5
293.10300	2.4
301.14304	2.8
313.14429	15.0
331.10901	1.8
331.15399	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05507	1.1
58.02879	0.6
62.05405	0.5
65.04623	0.5
69.03423	1.2
71.17509	1.5
75.26875	0.6
77.30460	0.6
78.50305	0.6
79.05476	0.9
81.03441	0.6
83.08611	2.6
85.02899	0.9
91.05479	7.7
94.04194	0.7
95.04950	2.3
98.98463	3.7
101.83442	0.5
103.05467	1.4
105.07016	1.7
107.04961	2.0
109.06504	1.3
115.05463	1.4
119.04947	3.4
121.06501	1.6
122.03638	2.6
123.08087	0.9
128.06219	1.5
129.06982	4.7
131.04929	1.0
131.08582	0.9
135.08035	2.0
136.05154	1.3
137.05983	24.0
145.06453	1.0
149.05983	4.1
151.03888	0.9
151.07545	28.6
152.06142	0.9
157.06509	3.7
161.06003	5.5
161.09622	1.3
163.07565	6.3
165.06985	2.9
165.09117	1.0
166.07773	0.9
167.08562	5.1
169.08369	11.7
174.06778	1.8
175.07549	1.7
177.06915	1.0
177.09065	1.4
178.07773	2.3
181.06419	1.7
182.07228	1.1
185.04210	12.2
189.09119	10.5
193.06499	1.9
193.08490	0.6
193.10170	2.2
194.07198	1.0
194.10658	0.6
195.08029	6.2
197.05983	0.6
197.09474	0.7
202.07733	0.7
203.05309	5.4
203.08609	0.9
207.10136	2.0
209.05939	0.6
209.09618	1.0
210.06761	2.7
211.07455	1.3
212.08345	1.0
221.06163	2.9
221.09586	3.2
223.07542	2.6
224.08272	1.0
225.05490	0.7
225.09091	3.0
227.10638	8.7
237.08902	0.8
238.06252	1.7
238.09810	0.7
239.10681	0.7
240.07820	1.2
243.11476	0.7
249.09088	1.8
252.07867	0.7
253.08643	4.4
253.12291	5.3
255.10194	8.0
267.10138	1.4
269.08060	1.7
272.10428	0.9
274.19687	0.7
281.11749	1.6
285.11249	7.6
287.12808	11.9
303.13184	0.8
313.14352	3.3
331.13617	100.0
332.14050	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05500	3.4
56.05029	4.3
56.96555	5.0
57.03430	2.8
65.38211	1.8
66.12963	1.8
67.05471	2.8
69.03426	5.3
69.07064	3.7
70.06588	26.9
71.26991	1.9
71.59232	1.8
72.08149	8.2
74.06074	7.5
77.59585	1.6
79.05482	4.4
81.03401	2.2
81.07039	5.1
83.06106	1.7
84.04499	11.2
84.08140	11.7
85.02906	7.8
86.09734	10.4
88.03957	2.6
91.05486	24.0
94.04169	2.9
95.04959	5.8
97.02876	5.0
98.97638	3.8
98.98463	100.0
99.05656	2.4
100.98884	2.1
102.05573	2.7
103.05488	4.8
105.07040	7.6
107.04952	12.8
109.02888	3.3
109.06494	5.2
110.97574	1.8
111.04438	2.8
115.05457	2.4
116.98603	5.7
116.99469	4.3
119.01902	3.1
119.04935	12.0
120.08101	2.8
121.06508	5.9
122.03641	6.7
127.03877	3.4
128.06200	2.7
129.07040	11.3
129.10257	9.0
130.05040	2.1
130.08661	2.0
131.04939	3.2
134.99667	2.0
135.04417	3.6
135.08061	5.9
136.05231	4.2
136.06194	7.4
137.05951	58.3
137.06912	3.5
145.06473	2.6
146.07297	1.9
146.99588	2.9
147.04407	2.1
147.07990	2.0
149.05983	11.5
151.03917	1.8
151.07539	68.4
153.05453	4.8
155.08369	2.1
157.06499	8.9
158.99669	2.0
161.05971	13.3
161.09714	2.7
163.07552	16.4
163.14352	2.0
165.05634	2.6
165.07027	12.1
165.09119	3.8
167.07137	3.7
167.08537	10.1
174.06792	4.8
174.99210	3.2
175.07550	4.8
176.98987	8.5
177.09085	3.1
178.07857	5.3
181.06412	3.9
182.07259	2.8
189.09108	22.9
189.45384	1.9
193.06474	5.6
193.10107	5.1
195.08067	18.0
197.05981	4.6
203.08620	2.2
206.07292	2.2
207.10246	5.9
209.09624	2.1
210.06764	9.0
212.08382	3.0
219.01770	3.7
219.08122	2.1
221.05991	7.5
221.09651	10.6
223.07550	9.1
224.08339	2.7
225.05438	1.8
225.09119	8.0
227.10660	26.4
237.02794	8.7
237.09169	2.6
238.06242	4.4
239.06914	3.1
240.07784	3.0
245.11394	2.9
249.09125	4.3
253.08653	8.8
253.12230	12.8
255.03809	2.7
255.06421	1.8
255.07677	2.5
255.10181	23.0
255.12854	3.1
259.06540	3.5
267.10104	3.7
269.08051	6.8
285.11172	16.7
287.12799	29.4
313.14340	6.3
316.06012	2.5
331.08011	3.0
331.13422	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	3.4
55.05494	2.3
56.96554	4.5
57.03432	2.1
58.99580	4.5
64.87170	1.5
65.03954	3.5
67.05499	2.0
69.03420	4.1
69.07077	1.5
69.85088	5.6
69.85497	3.1
70.06580	6.0
71.04995	1.4
72.08150	5.0
74.06071	1.9
76.02214	3.7
79.05496	7.9
81.03397	1.8
81.07056	14.6
83.06103	6.0
84.04509	6.7
84.08132	6.6
85.02909	3.4
86.00623	1.5
86.09705	15.2
86.99097	1.7
87.02673	3.0
91.05474	38.5
93.41449	1.4
94.04182	3.8
95.04985	8.6
95.08626	2.6
97.02853	3.1
98.98463	85.3
100.98890	1.7
103.05470	7.4
105.07031	6.0
107.04956	14.7
109.02895	1.8
109.06512	5.9
111.04429	1.9
115.05442	2.7
116.98653	2.7
116.99494	4.4
117.07020	2.9
119.04951	18.3
119.08556	2.1
120.08125	3.0
121.06533	11.0
122.02807	1.8
122.03619	7.9
123.04391	2.0
125.07092	1.8
127.03898	2.2
128.06216	5.9
128.07181	1.5
129.06926	13.9
129.10214	3.1
131.04921	7.1
131.08527	1.8
133.06497	2.9
135.04405	1.9
135.08049	6.5
136.05188	3.2
137.05974	89.5
143.04910	1.9
143.08519	1.9
145.06488	5.7
146.03571	1.8
147.04411	3.5
149.05978	21.1
151.03938	4.0
151.07538	100.0
152.06215	5.4
153.06927	3.1
156.05795	1.8
156.08429	4.3
157.06546	12.6
159.08076	1.9
161.05969	23.5
161.09642	7.3
163.03812	2.6
163.07535	28.0
165.06970	14.4
165.09093	6.4
166.07765	3.6
167.08571	17.1
169.06535	2.3
173.12851	3.3
174.06734	6.3
174.09492	4.5
174.99237	3.0
175.07541	4.9
176.98917	6.4
177.00531	2.2
177.06929	3.3
177.09055	2.3
178.07776	7.4
179.08553	2.6
181.05096	1.6
181.06482	7.5
181.08655	2.7
182.07307	3.2
183.08031	1.6
187.07610	2.1
189.09084	42.2
191.08545	2.2
192.09334	2.9
193.06491	11.3
193.10127	8.0
194.07173	2.8
195.08054	28.9
196.08769	2.1
197.06009	6.0
202.07629	2.5
206.07210	2.2
207.08305	2.4
207.10121	9.3
209.05936	3.9
209.09610	5.1
210.06731	10.4
211.07541	6.2
212.08275	4.3
218.84703	1.6
219.01765	1.6
221.06055	10.3
221.09621	15.1
222.06815	1.8
223.07549	11.4
224.08337	4.9
225.05507	2.4
225.09085	12.5
227.07074	4.4
227.10667	31.7
233.05876	2.9
235.11156	1.4
235.17332	2.0
237.08949	3.4
238.06204	4.6
238.09926	2.1
239.06996	3.8
240.07687	3.1
241.08470	2.1
249.09088	6.7
253.08597	19.2
253.12218	17.2
255.10176	38.6
259.13437	2.1
267.10269	5.4
268.10373	1.5
269.08020	5.2
269.11447	2.4
270.08826	2.3
272.10464	4.3
281.11713	7.1
285.11182	24.4
287.12790	43.5
298.11688	2.1
313.14499	12.2
331.12863	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05503	2.4
56.96566	3.7
63.09213	2.0
65.03927	2.2
69.03413	2.0
69.07053	2.7
70.06584	2.9
72.08150	39.3
73.08483	11.3
78.29619	1.8
79.05469	6.1
81.07056	4.0
83.04971	1.6
84.08152	2.1
85.02894	2.2
86.06074	3.1
86.09705	7.8
91.05482	35.7
93.07036	3.4
94.04167	4.6
95.04953	7.8
98.98466	64.4
103.05476	4.6
105.07014	5.2
107.04961	10.6
107.08637	2.2
109.06516	5.0
109.84489	1.9
111.04414	3.2
115.05441	3.5
116.98648	2.4
117.06997	3.2
117.92073	1.8
119.04932	17.1
119.08585	3.9
120.08105	2.3
121.06510	8.9
122.03656	8.4
128.06210	5.2
129.07014	20.7
129.59662	1.8
130.04982	2.0
131.04948	5.0
131.08594	2.8
135.08018	7.1
136.05157	3.7
137.05975	81.8
144.41945	1.9
145.06467	6.0
147.04327	2.0
147.11636	2.1
149.05969	14.7
151.03952	4.0
151.07536	100.0
152.06174	4.4
157.06503	13.3
161.05966	21.8
161.09612	2.6
162.03046	1.8
163.07538	25.7
165.06998	13.5
165.09105	6.6
166.07712	2.7
167.08527	15.6
169.06447	3.2
171.14931	6.5
172.15260	8.0
174.01234	1.7
174.06783	5.4
174.99275	2.6
175.07539	6.5
176.98882	3.8
177.05559	1.7
177.06966	3.2
177.09167	3.3
178.07794	5.2
181.06490	7.4
181.10091	2.1
182.07239	3.6
183.08093	2.2
189.09088	34.8
193.06500	8.5
193.10129	9.4
194.07246	5.0
195.08054	27.9
196.08650	2.9
197.05956	5.2
199.11510	5.6
199.67914	1.8
200.14734	3.3
206.07231	2.7
207.08116	1.8
207.10083	5.8
209.05879	2.8
209.09679	3.9
210.06705	11.6
210.35263	1.6
211.07397	3.0
212.08298	4.9
212.10519	1.7
216.12410	4.2
216.78378	1.8
217.12604	7.7
221.06052	10.1
221.09557	8.8
222.06615	1.9
223.07491	8.3
224.08327	4.7
225.09047	11.1
227.06975	3.6
227.08862	1.2
227.10669	28.5
237.09143	2.9
238.06201	5.1
240.07858	3.8
241.08572	3.7
249.09090	6.5
251.06982	2.4
253.08566	14.7
253.12230	14.2
255.10117	35.1
267.07364	2.3
267.10129	5.7
269.08429	3.9
269.11633	4.0
281.11618	4.7
285.08530	2.6
285.11258	20.0
287.12772	42.9
299.10199	5.6
299.13120	2.3
305.68753	2.0
313.08298	8.6
313.14413	14.9
331.05066	2.3
331.08844	10.7
331.12869	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	331.1535
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
55.05508	8.4
56.96556	1.9
57.03414	1.1
57.07073	7.0
59.04993	1.4
65.03922	4.5
67.05168	1.6
67.05506	21.8
69.01208	0.9
69.07055	3.3
71.04987	3.7
71.59680	1.3
71.60050	1.3
79.05499	2.7
81.07048	2.5
83.04984	1.8
85.06544	15.0
85.24276	1.0
91.05467	6.2
91.70126	0.9
93.07024	1.2
95.04958	1.0
95.08572	1.1
97.06531	2.9
98.98460	28.9
100.98862	1.1
102.84872	0.9
103.05424	1.1
105.07018	3.1
107.08575	1.5
113.46470	0.9
115.05457	1.6
116.99538	1.2
117.06988	1.5
119.04938	2.0
119.08579	2.5
121.10156	1.7
129.07074	1.1
131.04951	7.4
131.08597	1.8
133.06453	0.9
143.04884	1.2
143.08572	1.4
145.06491	1.3
145.10149	3.0
146.93860	0.9
147.04411	16.1
155.08565	1.2
157.10068	2.0
159.04424	7.8
159.08000	1.1
159.11697	1.3
161.05975	2.9
163.03906	3.4
171.04457	2.3
171.11667	1.0
173.05980	3.1
175.01494	2.8
175.03903	100.0
176.04469	2.0
176.98924	2.6
177.05481	12.6
183.11661	1.1
187.03918	21.3
187.05553	1.9
187.07526	2.9
189.05443	9.9
191.03148	1.0
198.06674	1.1
199.03879	8.9
199.07510	1.3
201.05447	5.7
201.09062	1.2
203.03441	5.8
203.07011	2.9
203.10692	1.7
212.04736	1.0
213.05432	2.4
213.09041	1.6
214.05846	0.9
215.07033	4.0
217.08615	1.6
226.06274	5.1
227.06993	2.7
228.07913	2.3
229.08592	25.0
231.10168	16.9
241.08604	20.8
243.10164	20.2
245.08087	2.7
247.09659	44.3
253.08598	3.6
259.09653	13.9
261.11179	1.5
265.10812	1.3
271.09622	1.7
275.68625	1.1
295.13376	2.3
313.14383	15.0
331.15408	8.3
331.18942	2.2
331.22424	1.9
348.94177	1.1
349.16824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.59316	1.2
55.01877	3.4
55.05494	3.1
56.96551	2.8
58.28799	1.3
65.03922	1.8
67.05492	4.5
69.03422	3.1
69.07060	4.0
70.06583	2.1
71.04983	2.4
71.59935	1.6
71.60312	2.5
72.08160	2.9
79.05495	7.8
81.03403	2.2
81.07036	8.3
82.61339	1.6
83.04992	2.4
84.04508	2.1
84.08137	1.5
85.02902	3.6
86.09698	1.7
87.14520	1.4
91.05480	32.6
93.07040	6.8
94.04191	3.3
95.04974	7.1
95.08608	4.7
97.02872	2.1
98.98463	64.3
100.98889	1.9
103.05452	5.8
105.07036	8.9
107.04942	11.9
107.08601	4.8
109.06502	4.9
109.10164	1.7
111.04456	2.7
115.05412	3.0
116.98620	3.0
116.99497	3.9
117.07007	2.4
119.04945	17.7
120.08110	1.7
121.06505	7.8
121.10128	3.6
122.03641	6.3
123.04411	2.0
123.08062	3.8
125.05961	2.1
127.03931	1.8
128.06200	3.4
129.07025	11.6
131.04971	7.0
131.08565	4.4
133.06511	2.3
134.99655	1.8
135.04514	1.6
135.08047	6.4
136.05229	3.3
137.05981	73.7
141.06940	1.7
142.07816	1.6
143.04929	1.9
143.08553	2.4
145.06464	3.8
145.10187	2.1
146.07266	1.6
147.04401	3.9
149.05994	17.5
151.03899	5.6
151.07544	100.0
152.06204	5.5
153.00722	1.6
153.01843	4.9
153.07005	3.6
155.08484	1.8
156.64957	1.5
157.06485	12.8
157.10149	2.6
159.11597	2.2
161.02469	2.0
161.05981	15.3
161.09595	4.4
163.03870	1.9
163.07550	24.0
165.06987	13.8
165.09106	5.7
166.07782	3.5
167.08574	18.7
169.05003	1.8
169.06505	3.4
174.06738	4.8
174.99182	3.5
175.07529	4.8
176.98932	5.7
177.06976	1.8
177.09084	3.0
178.07764	5.9
179.08534	2.8
181.05101	1.6
181.06461	7.5
182.07243	5.8
183.08067	2.7
185.09686	1.6
189.07399	2.3
189.09105	38.2
191.08524	1.7
193.06535	8.3
193.10120	7.4
194.07275	4.3
195.08061	25.0
197.05962	4.6
199.07643	2.1
199.11267	2.2
202.07748	2.1
203.08633	1.8
205.06398	2.5
207.07968	1.8
207.10162	4.0
209.06009	3.6
209.09564	4.2
210.06792	7.0
211.07626	4.4
211.11203	1.5
212.04823	1.8
212.08344	4.3
221.06058	8.7
221.09564	10.3
223.07487	10.9
224.08290	5.1
225.05612	1.9
225.09093	10.4
227.07091	3.0
227.10655	29.4
237.05475	3.0
237.09044	2.7
238.06271	5.3
238.09741	2.4
239.06935	2.3
239.10617	1.7
240.07779	3.1
241.08658	3.1
249.09087	6.4
251.06975	1.6
252.07758	2.2
253.08614	15.4
253.12259	15.9
255.06372	2.1
255.07307	2.2
255.10173	33.6
256.03619	1.8
256.10513	1.6
259.13370	2.4
267.10190	6.4
269.08142	4.5
269.11383	2.6
270.08749	1.9
272.10474	6.0
277.21704	3.4
281.11850	6.4
285.11176	23.7
287.05844	1.8
287.09518	2.7
287.12787	48.1
298.12119	1.7
299.12891	2.8
301.14349	2.4
313.03372	2.6
313.14438	12.8
331.04477	5.1
331.08041	4.1
331.11685	12.2
331.15530	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	331.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.4
55.01873	2.2
55.05256	4.3
55.05510	58.8
56.96566	16.2
57.03424	4.3
59.05005	2.3
61.02931	2.4
65.03941	3.0
67.01846	2.8
67.05499	3.9
69.03421	47.2
69.07070	2.7
70.06585	5.9
71.04986	8.5
71.29723	5.0
72.08153	32.4
73.08478	9.3
79.05489	7.3
81.03418	27.5
81.07071	3.8
83.08619	61.1
84.04519	2.6
84.08141	5.1
85.02895	18.1
86.09720	15.6
87.10033	3.1
91.05481	38.2
93.07059	3.2
94.04171	3.9
95.04959	8.9
95.08598	4.1
97.02879	11.4
98.97643	17.1
98.98462	88.5
99.04463	26.5
101.09670	13.9
103.05473	5.5
105.07062	6.8
105.80053	2.1
107.04960	10.2
109.02901	10.4
109.06496	6.3
110.97562	2.8
111.04429	10.7
116.98630	13.3
116.99401	2.8
117.07021	3.7
119.04967	17.2
121.06503	8.1
122.03654	5.8
127.03906	22.1
128.06212	3.8
128.98584	11.3
129.06998	17.1
129.09108	10.6
129.10059	2.5
131.04921	5.4
131.08586	3.1
133.06488	3.8
134.99654	7.9
135.08040	9.2
136.05157	3.7
137.05978	85.6
143.03409	9.8
145.04988	2.9
145.06482	5.0
145.10152	3.0
146.99673	10.9
147.04420	4.3
148.05156	3.0
149.05994	14.7
151.03880	4.5
151.07544	100.0
152.06207	6.0
153.07019	2.4
157.06450	14.2
161.01311	3.5
161.05988	16.3
161.09659	2.9
163.07538	24.6
165.07014	14.1
165.23354	2.5
166.07831	5.0
167.08540	19.0
171.14920	4.2
172.15288	5.4
174.06766	7.4
174.99231	4.2
175.07555	6.2
176.98923	4.7
177.00711	6.7
177.05533	2.4
178.07780	5.1
181.06529	5.8
181.08508	2.3
182.07314	6.1
185.16574	3.4
187.06276	5.0
189.00749	3.5
189.09087	33.9
192.09378	3.1
193.06531	8.1
193.10120	8.5
194.07260	4.4
195.08052	28.0
197.05984	7.1
198.39520	2.3
199.11293	2.8
200.14853	3.1
203.05598	4.9
205.07536	7.4
207.08130	2.7
207.10083	5.8
209.06056	3.6
209.09650	4.5
209.11766	2.2
210.06738	11.5
211.07527	6.5
212.08336	5.5
213.03915	16.3
217.12489	2.2
219.01825	7.2
221.05971	9.4
221.09666	15.8
223.07506	15.7
224.08252	4.4
225.05486	3.4
225.09032	11.5
227.07074	3.3
227.10641	31.0
227.12669	3.3
229.07433	3.6
231.04985	12.7
232.06732	2.9
235.07741	2.1
237.02856	24.7
237.05145	4.9
237.09096	2.5
238.06171	6.8
239.06911	3.1
240.07796	5.3
243.11484	2.4
249.09097	5.8
251.07083	3.1
253.08647	19.9
253.12267	21.4
255.03796	4.1
255.10155	32.0
267.10056	3.7
268.00909	3.7
269.08109	6.7
269.11703	4.3
272.10291	2.2
281.11716	7.4
285.11145	21.0
287.12762	44.8
313.14651	10.7
331.10626	13.7
331.15207	3.7
332.02524	6.2
337.09518	4.6
349.11667	5.9
354.37094	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.8
55.01876	24.0
55.05260	5.8
55.05511	78.3
57.03426	25.8
57.17287	3.6
60.83510	3.6
61.02914	8.7
67.05499	35.3
68.99782	17.7
69.03077	6.9
69.03428	100.0
69.07075	26.1
69.29667	40.1
71.01360	9.4
71.04993	52.0
73.02911	8.6
77.27824	3.8
79.05493	37.4
81.03424	68.7
81.07059	50.8
82.04208	8.3
83.04990	36.9
83.08623	40.0
85.02917	47.3
85.06562	4.1
87.00839	25.5
91.05487	31.8
93.07053	39.8
95.04979	20.5
95.08610	50.9
97.02890	59.8
97.06516	16.5
98.98467	50.1
99.04469	18.9
99.08083	10.0
105.01838	9.2
105.07050	23.9
107.04935	8.2
107.08591	20.7
109.02865	32.4
109.06507	18.6
109.10143	9.3
111.04436	13.2
111.08080	74.5
113.09638	35.6
115.03913	21.0
117.07027	7.1
119.04900	6.2
119.08594	18.8
121.06497	15.9
121.10193	6.2
123.04475	5.0
123.08076	26.3
125.07078	4.8
125.09641	9.5
127.03913	55.8
127.07571	6.4
129.01813	4.9
129.07013	9.6
131.08577	7.7
132.32365	4.1
133.06476	7.9
133.10068	4.2
135.08037	36.5
135.11681	4.9
137.05968	31.5
137.09622	13.0
139.07532	41.2
139.11105	5.8
141.09094	50.6
145.06467	6.0
145.10130	4.8
145.78517	3.7
147.08047	6.7
149.05989	7.6
149.09619	7.4
151.07535	42.1
153.09097	14.3
155.08548	4.2
155.10692	10.0
157.06308	4.2
159.02924	6.6
161.09625	4.5
163.07510	5.8
163.11162	9.7
165.09120	12.1
167.07021	4.2
167.08563	8.1
167.10678	11.4
173.09607	5.4
179.10677	9.1
181.12221	4.6
185.11763	8.1
189.09122	8.0
191.10701	31.2
207.10139	5.2
209.09756	6.2
209.11749	75.2
227.10611	9.4
227.12776	8.4
231.05008	4.3
242.72678	4.0
253.12144	5.5
255.10106	9.3
277.21783	4.1
285.11475	6.0
287.12823	10.9
295.11731	33.0
331.11664	7.2
352.80249	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	331.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94030	0.8
61.64749	1.0
62.90108	0.8
69.03421	1.1
70.06606	1.0
70.84647	1.1
70.85000	2.8
79.05476	1.6
81.03387	1.3
85.02864	1.4
86.09699	3.3
91.05470	4.4
98.98466	14.1
105.07008	1.0
106.06618	1.0
107.04931	1.8
109.06503	1.0
119.04906	2.6
121.06482	2.0
122.03674	1.1
128.06166	1.8
129.06944	2.8
131.04865	1.2
134.05945	1.1
135.08109	1.2
137.05978	11.8
149.05974	2.3
151.07573	12.4
157.06497	1.9
157.51230	1.0
161.05998	2.2
163.03864	1.3
163.07526	3.8
165.06985	2.3
167.08551	1.8
169.08340	12.3
176.98927	1.9
178.07765	1.3
181.06406	1.4
182.07335	1.4
185.04236	11.3
187.12332	1.8
189.09087	4.1
193.10075	1.1
195.08055	3.3
199.08673	1.2
203.05286	5.4
207.10025	1.2
210.06728	2.7
215.11789	2.1
221.05823	1.5
223.07635	1.3
225.09132	1.6
227.10661	4.3
238.06192	1.4
243.11331	10.7
249.39514	1.0
253.08644	3.4
253.12155	1.6
255.10284	4.6
267.10245	1.3
269.08115	1.3
269.12567	1.7
271.10818	6.1
285.11899	4.4
287.12741	5.7
303.13422	6.4
313.11716	3.2
331.13617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1178
Annotation	Monocillin I
Peak:m/z	Relative Intensity
55.01873	1.1
55.05511	0.8
56.96566	0.9
64.77566	0.8
66.82769	0.7
67.05491	2.6
69.27577	10.0
79.05487	4.4
81.07049	4.8
83.04982	1.0
83.08602	1.0
85.02905	0.8
86.09718	0.9
89.52089	0.9
91.05482	6.7
93.07066	2.7
94.04193	1.5
95.04945	4.1
95.08603	2.6
98.98470	23.7
103.05475	1.7
105.07042	4.7
107.04942	3.0
107.08589	1.9
109.06524	7.4
109.10191	1.0
115.05465	2.0
116.99573	0.8
117.03396	1.8
117.07039	1.5
118.04139	1.7
119.04980	1.3
119.08587	1.2
121.06515	6.5
121.10159	2.3
122.03666	3.6
123.04485	1.3
125.05955	0.9
130.04163	1.7
131.04942	2.2
131.08583	0.9
133.02901	1.0
133.06494	3.5
133.10143	1.1
134.03624	1.9
135.04346	1.1
137.05983	49.7
138.06343	1.1
141.07019	1.2
142.27644	0.8
146.03630	9.5
147.04384	4.4
149.05984	9.4
151.07558	5.3
152.06129	4.0
153.06996	17.6
154.07773	4.8
155.08580	1.7
157.10178	0.8
158.99660	0.9
161.05988	49.3
162.06763	7.8
163.07462	0.9
165.07008	43.3
166.07777	2.3
167.07242	1.0
167.08574	3.5
168.05714	1.1
168.54214	0.9
169.06525	1.6
170.07318	1.7
176.06337	1.2
176.98947	2.5
177.05554	1.8
177.06976	2.0
178.07761	1.3
179.07159	1.0
179.08647	1.5
181.06491	29.8
182.07294	17.9
183.08063	3.0
189.05463	4.4
192.05775	1.6
193.06497	33.1
194.07271	11.8
195.08049	3.3
196.05249	1.1
197.05894	2.1
197.09663	3.2
198.06793	2.9
199.07507	1.1
205.06512	1.0
207.08099	1.3
209.06006	8.7
210.06761	34.6
211.07545	4.8
213.09105	9.7
221.05997	34.2
222.06735	7.5
223.07524	2.3
224.08359	3.3
225.09111	62.2
226.06180	1.5
226.09448	1.4
227.07080	3.4
237.05527	3.1
238.06236	13.6
239.07030	7.8
241.08604	11.4
242.09325	2.2
251.07178	1.1
253.08611	100.0
254.00162	1.0
254.06335	1.1
254.09229	9.7
255.06514	2.8
255.09766	1.2
269.08130	10.6
269.60739	1.0
270.08960	3.9
273.11182	5.5
277.21680	1.6
281.08081	14.3
282.08792	0.9
284.10434	7.7
285.11230	42.0
295.14706	1.0
299.09079	1.1
301.10709	12.7
313.07166	2.7
313.10681	30.8
314.11063	1.5
331.07779	1.7
331.11743	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	331.0813
Annotation	Morelosin
Peak:m/z	Relative Intensity
53.03941	5.9
55.01871	9.1
55.05507	17.3
56.96555	3.2
57.03425	9.0
61.02927	3.2
65.03928	1.9
67.05494	11.9
68.99785	3.1
69.03426	25.5
69.07063	10.2
69.80658	10.4
71.01326	2.2
71.04984	15.9
79.05492	13.5
81.03407	15.2
81.07056	15.9
83.04965	8.3
83.08612	10.2
85.02911	18.7
86.09717	3.6
87.00816	6.3
87.04456	1.9
91.05479	33.5
93.07042	13.6
94.04192	2.8
95.04958	13.4
95.08604	15.4
97.02892	16.7
97.06533	4.3
97.10171	2.4
98.98464	100.0
99.04458	4.9
103.05443	5.3
105.07018	8.6
107.04951	10.7
107.08588	6.7
109.02868	8.6
109.06516	8.2
109.10156	3.6
111.04430	5.2
111.08079	18.5
113.09636	11.3
115.03915	6.6
115.05419	3.9
116.98672	4.1
116.99523	6.3
117.07001	5.2
119.01919	2.0
119.04932	13.4
119.08571	6.3
121.06509	14.5
121.10142	7.1
122.03669	4.4
123.04421	3.7
123.08050	8.9
125.07076	2.8
127.03933	15.0
128.06213	3.9
129.01834	2.5
129.07031	13.1
131.04910	10.0
131.08575	3.1
133.06471	2.7
133.10133	3.0
134.99664	3.1
135.04353	2.5
135.08058	11.6
136.05179	2.6
137.05971	73.7
139.07549	9.6
141.06987	2.3
141.09074	11.9
145.05038	2.0
145.06476	4.1
145.10085	3.7
147.08009	5.4
147.11728	2.3
149.05968	12.8
149.09521	3.0
151.03911	3.3
151.07539	81.9
152.06113	3.3
153.06992	2.8
153.09105	4.4
155.10712	2.2
157.06479	10.1
158.07347	3.7
159.11635	2.2
161.05945	15.0
161.09575	3.6
163.07530	19.5
165.05661	3.5
165.06949	12.0
165.09116	6.4
166.07823	3.0
167.07324	2.4
167.08569	12.3
167.10666	2.5
168.05724	2.7
169.06557	2.0
174.02945	1.8
174.06807	5.6
174.99223	4.0
175.07516	4.6
176.98921	6.6
177.00482	1.8
177.07089	2.8
177.09045	2.2
178.07777	5.8
179.08722	2.2
179.10675	3.1
181.06514	4.9
181.12192	2.3
182.07262	3.3
183.08177	2.4
186.06775	6.5
189.09085	24.9
191.10706	7.6
193.06514	7.4
193.10143	6.0
195.08026	27.4
196.05167	3.6
197.06009	7.5
197.09610	2.0
200.01442	1.8
207.08179	3.8
207.10202	4.9
209.05945	5.1
209.09778	4.1
209.11720	15.9
210.06757	8.1
211.07550	3.2
212.08319	2.7
213.05507	6.8
214.06157	2.4
221.06065	8.8
221.09645	8.2
223.07484	11.9
224.08315	5.2
225.05542	4.8
225.09102	9.8
226.05913	2.0
227.07040	3.4
227.10712	22.4
232.54514	1.8
235.07446	2.0
237.09149	3.4
238.06332	4.2
239.07042	3.1
240.05676	1.9
240.07887	3.8
242.05872	5.5
249.09187	4.0
253.08522	12.0
253.12244	11.2
255.10196	25.8
267.10068	5.6
269.08032	4.3
270.05280	34.7
272.10568	3.1
277.21811	2.2
281.04489	2.8
281.11710	3.0
285.11249	18.8
287.05551	4.3
287.12723	35.1
287.15714	1.9
295.11703	10.7
297.03931	5.9
298.04758	14.1
299.05420	4.3
299.08997	1.9
302.04181	2.3
313.03461	2.1
313.14420	13.0
315.04855	14.7
316.05841	9.7
330.28598	2.2
331.08133	96.9
331.11758	14.4
331.15231	3.2
331.19208	3.6
332.08453	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.5
56.46326	3.6
56.96564	4.8
57.07070	6.4
67.05503	11.0
69.07072	5.5
71.08601	3.0
71.59348	6.1
72.08131	4.1
81.07063	11.4
87.04458	18.7
88.07642	6.9
91.05475	6.0
93.07056	7.0
95.08560	3.7
98.98466	100.0
107.08598	4.2
109.10175	9.5
116.99513	5.9
119.08577	4.4
123.80750	3.5
140.35973	3.2
149.27469	3.2
173.11742	12.7
174.99260	7.2
176.98979	7.0
270.28030	5.4
330.30530	17.6
330.33026	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	331.0812
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.71825	0.3
52.20230	0.3
56.96460	0.5
60.54315	0.2
66.71800	0.3
67.05412	0.6
70.94856	0.6
73.32349	0.3
79.05359	0.3
81.06916	0.5
85.77318	0.2
86.63926	0.3
91.05341	0.7
93.06923	0.5
95.08477	0.7
98.98307	9.7
98.99021	1.3
105.06912	0.5
107.08507	0.4
109.73772	0.3
111.04284	0.3
116.99320	0.5
131.04768	0.3
133.09966	0.4
137.02240	0.3
137.05878	0.7
149.05814	0.6
152.06148	0.3
153.01825	1.9
153.06805	0.8
154.02443	0.8
157.06474	0.5
161.05870	0.3
163.03729	0.4
165.06825	0.9
168.05595	0.6
176.98775	0.8
178.02534	0.7
181.06351	0.9
183.07945	0.7
185.05890	0.4
197.05858	0.8
198.06651	0.4
199.07474	0.5
203.03448	0.4
209.05875	0.4
210.06688	0.6
211.07416	1.0
212.04666	0.3
212.08368	0.3
213.05414	1.7
214.06271	0.6
216.10056	0.3
221.05783	0.4
225.05534	0.4
225.08951	0.5
227.07057	0.4
228.07613	0.5
229.04993	0.4
230.05559	0.4
238.06117	0.3
241.04822	1.3
242.05714	6.6
245.11168	0.6
253.05164	0.4
253.08493	0.5
255.02946	0.5
256.07220	0.6
257.04376	0.3
258.05228	5.7
269.04474	1.4
270.05219	17.2
271.05591	0.5
271.09619	0.3
273.03839	2.2
274.04620	0.3
285.03860	1.2
286.04745	1.7
287.05490	10.2
298.04709	1.4
299.02362	0.3
299.05515	1.4
299.08945	0.6
301.03403	3.3
302.04193	5.3
313.03452	2.9
315.04974	77.3
316.05728	13.8
322.16205	0.6
326.81787	0.3
331.08124	100.0
331.11685	8.3
332.08469	1.4
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
53.03947	4.8
55.01865	10.5
55.05508	45.6
56.05019	5.9
56.96562	9.1
57.03431	16.3
57.07056	13.5
67.05168	6.6
67.05502	100.0
69.03399	5.3
69.07066	41.6
70.06318	19.0
70.06612	7.0
71.04988	8.6
71.08611	13.8
72.08130	8.6
79.05491	33.3
79.67685	5.2
81.03391	10.8
81.07049	78.2
83.04967	23.2
83.08614	34.1
83.68189	4.4
85.06520	6.1
87.04469	63.5
88.07611	10.6
91.05479	28.4
93.07031	52.8
95.04980	11.4
95.08609	38.8
97.06557	6.7
97.10147	21.7
98.98459	98.4
99.08084	7.0
105.07015	17.3
107.08605	27.7
109.10168	49.5
111.08041	6.5
119.08585	21.3
121.10114	15.7
123.08093	6.0
123.11684	14.2
125.09613	12.9
131.08519	10.4
133.10121	13.5
135.11678	12.8
137.09602	11.0
137.13217	8.1
139.11171	20.6
147.11674	8.1
149.13194	9.4
154.12329	6.5
155.10677	12.1
156.17497	8.3
161.13321	11.0
170.19139	4.9
172.13451	6.2
173.11769	51.0
174.99271	7.9
179.14389	6.9
189.11148	11.8
193.12169	7.2
211.13185	11.8
259.20532	8.0
268.30054	14.6
270.27887	27.2
277.21671	45.3
295.22672	21.7
330.29959	73.9
330.33658	41.4
331.18762	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
55.05510	41.3
61.63627	3.1
61.77140	3.0
67.05519	13.5
69.03408	4.1
69.07058	8.9
71.29659	8.4
72.44335	3.0
77.48578	2.6
79.05486	8.9
81.07047	11.8
83.04996	5.2
83.08623	27.8
91.05497	3.5
93.07037	8.7
95.08598	8.4
95.17258	2.7
95.24753	2.6
97.10175	61.6
98.98480	25.5
107.08585	16.6
109.10169	6.0
125.09636	44.8
125.11723	2.9
128.43987	3.1
133.10114	3.8
135.08051	5.9
137.05974	12.4
137.07040	3.3
151.11087	3.5
171.10175	4.9
189.11209	100.0
200.69946	2.8
259.20700	3.0
277.21606	47.4
295.22653	7.6
305.49927	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05510	40.2
56.96562	8.3
57.03436	7.3
57.07091	2.8
57.32484	2.5
60.96531	2.5
67.05505	45.8
69.03423	5.9
69.07066	19.2
71.04993	3.7
71.08629	8.9
71.17887	3.2
71.18208	4.1
79.05500	20.7
81.03417	6.0
81.07057	46.8
83.04990	5.8
83.08614	20.4
83.51292	2.4
85.06510	2.7
87.04472	6.0
87.56860	2.9
88.05083	2.7
88.07644	4.9
91.05492	14.9
93.07047	17.7
95.04986	5.9
95.08598	22.4
97.06551	4.3
97.10171	31.8
98.64313	2.5
98.98461	100.0
99.08121	7.3
100.98893	3.1
104.99272	3.3
105.07034	9.3
107.08588	19.2
109.06511	4.2
109.10164	24.0
111.08061	5.0
116.99522	7.7
119.08576	8.1
121.10160	6.2
123.08001	3.3
123.11745	4.5
125.09631	24.0
125.42251	2.5
133.10135	6.4
134.99590	3.0
135.11702	4.5
137.09572	3.8
147.11641	5.4
153.09100	3.6
155.10712	5.5
157.10092	3.5
161.13202	3.5
168.96001	2.6
173.11748	14.7
174.99284	3.2
176.98882	6.2
179.14392	3.5
189.11223	29.1
193.12289	3.7
211.13539	2.7
218.21132	4.3
259.20679	2.8
275.90625	2.9
277.21655	28.7
295.22708	4.4
330.30142	5.4
330.33603	14.6
331.07956	3.7
331.18857	21.6
351.18460	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	329.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23977	0.2
55.05503	0.7
56.05035	1.7
57.07074	2.7
58.82899	0.2
67.05493	1.1
69.07056	0.3
70.73168	0.4
71.08641	1.2
72.60213	0.2
73.73940	0.2
76.78139	0.2
79.05498	0.5
81.07042	0.7
83.08640	0.4
83.43504	0.2
83.96133	0.2
84.08140	100.0
85.06530	0.2
85.08489	1.0
85.10185	0.5
91.05473	0.5
93.07018	0.3
95.04950	0.2
95.08582	1.2
96.32375	0.2
97.06528	1.2
98.98463	12.5
101.10828	0.2
105.07024	0.6
107.08603	0.3
109.10145	0.6
112.07607	0.4
116.99490	0.5
117.06993	0.3
119.08620	0.2
121.10146	0.5
125.44103	0.2
129.10240	1.7
130.08636	8.8
133.10144	0.3
145.10089	0.4
147.11269	3.8
157.10107	0.5
161.13297	0.2
171.11665	0.2
173.09631	0.2
174.99213	0.9
176.98901	0.3
181.10132	0.2
183.11519	0.2
215.10670	0.3
224.58136	0.2
232.84927	0.2
266.24774	11.7
267.25101	0.4
283.27377	0.6
311.20065	0.5
312.25406	0.2
329.17639	0.3
329.21194	0.8
329.27954	13.9
330.28290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	0.6
55.05511	8.6
56.05021	1.0
56.96552	0.9
57.05832	0.5
57.39121	0.4
62.69864	0.4
63.62250	0.3
66.41788	0.4
69.03437	0.8
69.07073	1.0
69.76805	2.1
70.06587	1.9
72.08154	100.0
74.06067	0.3
79.05478	0.5
81.03422	0.8
81.07053	0.5
84.04502	1.1
84.08134	3.2
85.02903	1.1
86.09704	13.9
91.05489	2.6
93.07037	0.6
95.04980	0.7
97.02911	0.4
98.97572	0.8
98.97714	0.6
98.98463	15.5
100.07635	0.5
103.05464	0.4
105.07035	0.5
107.05003	0.4
116.98647	0.8
116.99480	0.7
117.07050	0.5
119.04948	0.7
121.06536	0.4
128.07196	0.4
129.07019	1.1
129.10255	1.8
131.04913	0.6
132.10213	2.1
134.99602	0.4
137.05974	4.7
147.04453	0.6
149.05995	1.6
151.07535	4.6
153.06995	0.5
161.06013	0.8
163.07565	1.1
165.06911	0.5
167.08574	0.9
168.06595	0.5
171.14920	32.2
174.99254	0.5
175.07573	0.9
176.98994	0.7
177.00900	0.4
178.07811	0.4
184.29750	0.5
185.16507	6.1
189.09164	1.6
192.10234	1.2
193.06477	0.5
193.10289	0.4
193.55727	0.4
195.08086	1.4
199.10817	0.6
199.14418	16.4
210.06874	0.8
213.15993	2.6
217.15462	0.7
219.01871	0.7
221.09686	0.4
223.07581	0.5
224.08214	0.5
225.09171	0.9
227.10686	1.5
231.17006	3.7
237.02725	0.6
238.06174	0.4
240.09732	0.5
253.08684	1.2
253.12251	0.9
255.10251	1.6
269.07932	0.4
270.01526	0.4
285.11310	1.7
287.12805	2.3
313.14401	0.7
315.08737	1.0
330.10773	1.1
331.11935	0.7
331.17065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.05259	1.7
55.05511	22.4
57.03215	1.0
57.03438	8.9
57.07078	14.0
58.00123	0.9
67.05502	8.7
69.07067	32.1
69.25199	1.0
69.40775	6.9
69.41189	1.9
71.05000	1.3
71.08627	8.5
79.05493	4.6
81.07049	12.6
83.08617	22.4
85.06581	1.5
85.10163	3.9
91.05466	1.6
93.07029	8.2
95.08598	12.4
97.06553	7.2
97.10177	12.7
98.98464	100.0
101.06033	1.1
107.08567	6.5
109.10161	5.8
111.08098	4.1
111.11732	2.9
115.07595	1.3
115.59603	1.2
116.99494	5.3
119.08575	1.5
121.10130	8.2
123.11697	3.5
125.09624	3.6
135.11714	7.2
137.13300	1.8
139.11179	4.1
140.01094	1.5
149.13268	4.3
153.12767	3.0
163.14850	3.1
174.99229	8.5
176.98923	4.7
181.15775	1.3
219.21075	6.9
229.01698	1.2
237.22079	6.5
238.60983	1.0
252.99727	1.0
268.26340	5.8
311.25854	5.8
329.26938	31.8
330.27075	1.3
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	Unknow
Peak:m/z	Relative Intensity
55.05509	35.2
57.03434	6.3
57.07078	15.9
67.05503	36.6
69.07065	41.4
69.46571	4.9
69.46989	14.9
71.04992	2.8
71.08633	8.8
71.91909	2.3
79.05490	24.3
81.07054	41.6
83.04991	2.3
83.08620	31.6
84.42056	2.8
85.10197	4.0
91.05492	6.4
93.07039	33.1
93.79849	2.4
95.08601	29.2
97.06528	16.2
97.10175	20.6
98.21535	4.7
98.98469	100.0
99.08115	2.3
101.09653	2.3
107.08604	25.9
109.10149	12.8
111.08108	8.1
111.11718	6.7
115.11185	2.8
116.99512	5.8
121.10145	49.4
123.11694	13.5
125.09599	4.3
129.01791	5.3
129.05502	3.5
135.11691	37.3
137.13268	13.0
139.11177	6.5
149.13257	19.6
157.10126	2.6
163.14841	8.5
167.14288	3.3
172.97409	2.2
174.99242	7.0
176.98921	5.2
185.33748	2.3
219.21069	47.4
220.21240	2.6
237.22115	35.4
311.25873	20.4
314.33508	2.3
329.21075	2.8
329.26993	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	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78484	3.3
54.65988	3.5
55.05513	33.9
55.33755	3.1
57.03415	4.5
57.07074	22.8
58.60327	3.3
62.94093	3.5
67.05508	34.0
69.06716	4.4
69.07068	48.2
70.79636	6.9
70.79974	5.6
71.08633	16.9
79.05482	24.1
81.07050	41.5
83.08625	31.6
83.29631	3.1
85.10173	5.6
91.05440	3.6
93.07042	34.3
95.08624	26.5
97.06526	14.9
97.10178	22.3
98.98463	100.0
107.08598	16.3
109.10143	13.2
111.08059	6.5
111.11715	7.4
116.99446	6.5
121.10145	44.0
123.11693	8.6
125.09614	4.3
135.11693	29.0
137.13266	7.0
139.11174	8.8
149.13248	12.1
153.12726	6.1
163.14760	7.3
174.99210	8.4
176.98938	4.2
209.13716	3.6
219.21027	32.3
237.22163	16.1
255.23296	4.3
311.25766	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	329.2321
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.22584	0.7
54.37714	0.7
55.05499	1.6
56.96558	1.8
57.07071	1.1
67.05508	1.4
69.03423	1.0
69.07062	1.3
69.85958	2.7
69.86391	2.4
79.05481	1.7
81.03421	1.4
81.03951	0.8
81.07042	2.5
82.18439	0.8
83.04973	0.8
89.75985	0.8
91.05470	2.0
93.07047	2.0
95.04929	1.7
95.08598	1.3
96.51700	0.9
97.06532	1.9
98.98463	100.0
100.98849	0.9
104.99247	1.3
105.07026	2.1
107.08610	1.1
109.06496	1.3
116.98756	0.7
116.99496	5.4
117.06981	1.1
121.10125	1.0
131.08531	1.9
140.01056	1.2
143.08557	1.7
145.10158	1.0
173.80949	0.9
174.99240	6.6
176.98940	3.8
223.87724	0.9
264.64130	0.8
329.17377	1.0
329.21069	1.8
329.25180	0.7
347.18658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03928	1.2
53.77307	0.9
54.92460	1.2
55.01852	1.2
55.05512	5.2
56.96323	1.1
56.96548	5.8
57.03431	1.7
60.56820	1.0
65.03932	2.4
67.05500	10.3
69.03448	1.3
69.07067	5.0
70.37194	1.0
70.73760	1.7
70.74097	1.5
71.04988	10.6
78.92059	0.9
79.05491	8.3
81.03398	1.6
81.07055	10.2
83.04984	1.7
83.08611	3.2
84.96062	1.1
85.06540	1.8
89.03912	1.5
91.05473	8.3
93.07026	13.6
94.04204	1.8
95.04949	4.4
95.08623	4.8
97.06519	5.2
97.10174	4.5
98.98461	100.0
105.04615	1.0
105.07019	5.9
107.04937	2.5
107.08583	5.4
109.06474	1.2
109.10157	2.5
110.03631	1.1
111.04411	2.8
111.08072	3.3
116.99482	4.7
117.07014	1.3
119.05000	1.2
119.08555	4.1
121.06499	4.1
121.10125	3.8
122.03648	2.3
123.04420	1.0
125.06014	2.3
125.09595	2.2
126.38129	0.9
127.00672	3.0
129.06996	1.8
129.09120	4.4
131.08562	2.3
133.02846	10.1
133.10135	2.9
135.04395	2.2
135.08075	1.5
137.05981	14.0
139.11183	2.3
145.01721	7.7
145.10144	2.3
147.11667	1.2
149.06012	10.0
149.09610	2.0
150.06804	4.8
153.05411	1.1
159.11732	1.2
163.02780	2.0
165.05492	1.3
171.11664	1.5
173.13208	1.7
174.99197	9.0
176.98886	4.2
181.04945	7.6
197.01204	4.8
203.12798	4.1
210.01939	5.1
225.04500	1.3
228.03030	1.5
245.04877	1.4
248.03596	2.0
251.07068	1.7
252.99765	1.6
263.05856	10.6
264.01483	1.1
266.05185	1.3
275.19992	5.4
281.06940	6.2
283.09598	1.8
286.07565	1.5
293.21048	4.4
311.09015	1.5
329.06818	1.4
329.10300	1.9
329.13818	2.0
330.10568	1.4
331.11789	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.7
67.05485	1.3
70.85677	1.0
70.86014	1.1
79.05504	1.0
81.03438	0.7
81.07063	1.0
83.04987	0.5
86.09678	0.5
91.05471	0.7
93.07024	1.1
95.04982	0.7
95.08622	1.2
98.98466	30.9
105.06993	1.0
107.04960	0.8
107.08598	1.4
116.98701	0.6
116.99519	1.3
119.01868	0.5
120.08108	0.7
121.10114	0.8
130.06509	0.6
135.11676	0.6
136.07545	0.8
145.10178	0.6
149.09584	0.7
174.99265	3.2
176.98912	1.1
258.09155	0.6
259.07715	0.6
283.09518	0.8
285.05655	1.0
285.08594	1.4
329.15717	100.0
330.16028	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15039	0.7
56.95493	0.7
64.55325	0.7
69.07069	0.9
70.67649	1.7
70.68004	1.3
81.07050	1.2
87.16099	0.8
93.07021	0.9
95.08588	1.0
98.98464	41.9
102.06174	0.7
104.99256	1.8
107.08583	0.8
111.98254	0.7
116.99511	2.0
119.08559	0.9
140.01062	1.2
164.15381	0.7
174.99219	3.1
176.98912	1.6
312.03360	0.7
329.20862	100.0
330.21130	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05503	5.3
56.96572	1.4
57.03412	2.5
62.18069	1.1
67.05509	9.9
69.03431	1.4
69.07072	6.1
69.60007	6.7
69.60416	1.9
71.04995	4.1
79.05486	10.4
81.07060	11.8
82.07368	1.1
83.05000	1.5
83.08614	4.3
85.06535	1.8
91.05473	6.0
93.07045	11.2
95.04958	2.2
95.08621	9.8
97.06525	4.5
97.10162	2.4
98.98463	100.0
105.07033	5.7
107.08609	7.3
109.06529	4.5
109.10126	6.1
111.08077	3.8
116.99519	4.9
117.07040	3.5
119.08572	6.8
121.10150	5.8
123.08060	1.4
125.09614	3.0
131.08563	3.7
133.10110	3.6
135.08112	1.1
135.11652	1.5
137.06012	1.8
137.09637	1.7
139.11195	2.7
143.08626	1.5
145.10121	3.0
147.11691	3.1
149.09633	1.9
154.71495	1.1
159.11699	3.5
161.13264	3.4
173.13274	2.1
174.99240	8.9
176.98907	5.4
185.13239	1.6
187.14922	1.7
189.11211	1.3
197.13319	1.4
201.12514	1.4
203.12794	2.0
213.16290	1.5
219.17474	1.8
221.15398	2.6
223.16968	1.5
275.20053	11.2
283.24283	4.8
293.21146	4.2
329.17407	1.7
329.21133	1.7
329.24728	2.6
329.28174	2.4
339.23740	1.3
353.62271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1494
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
53.03935	0.4
55.05498	0.3
56.05031	0.6
56.96552	0.5
60.04516	1.1
65.03976	0.3
65.88047	0.3
67.05523	0.3
69.03422	0.4
69.07069	0.7
69.61076	1.6
70.02956	0.6
70.06242	0.4
70.06594	4.1
72.08169	1.3
74.06114	0.4
77.66841	0.2
79.05463	0.4
81.07040	0.6
82.06609	0.4
84.04504	0.8
84.08149	7.9
85.02893	0.5
85.08446	0.3
86.09708	3.1
88.03993	5.8
91.05482	28.5
93.07039	0.7
94.06583	0.3
95.04962	0.4
97.04016	0.6
98.21467	0.5
98.98467	41.4
100.98895	0.3
102.05541	0.4
103.05453	0.8
105.07052	0.5
106.06605	0.3
107.04935	2.8
109.06532	0.9
111.09159	0.4
114.14984	0.3
115.05468	0.3
116.98717	0.5
116.99493	2.0
117.05742	0.4
117.07009	0.3
118.06548	3.3
119.04945	18.3
120.08108	10.5
121.06489	2.1
121.08451	0.3
123.04430	0.4
127.08599	0.3
129.10240	3.1
130.05040	0.3
130.06525	0.4
131.04901	0.5
132.08112	0.7
132.10170	0.4
134.04669	0.3
135.06790	0.8
136.07579	100.0
137.05995	1.0
137.07935	1.8
140.01082	0.3
143.04514	0.6
144.08067	0.5
146.06001	4.0
147.04398	1.0
147.08031	0.4
149.06036	0.5
151.03828	0.4
155.08113	0.4
166.08650	4.2
173.07082	0.5
174.99222	3.4
175.07426	0.4
176.98917	1.4
177.05586	0.5
179.07040	0.3
181.09709	0.4
182.08099	0.3
183.14874	0.3
184.04561	1.1
190.08475	0.3
198.05518	0.4
198.60248	0.3
199.35762	0.3
201.12302	0.3
206.08150	1.2
208.02855	0.3
210.02512	1.0
215.13832	0.4
220.31848	0.3
224.10399	0.4
252.99739	0.5
261.08780	0.9
270.10983	0.5
283.14310	0.5
284.12683	0.5
312.12201	1.0
329.10599	0.5
329.14996	2.6
329.19077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01873	1.4
55.05494	0.8
56.96553	1.7
67.05493	2.5
69.07057	3.1
69.37365	1.9
69.37785	6.1
79.05480	3.1
81.03398	1.1
81.07058	3.9
85.02841	0.8
91.05479	2.5
93.07018	1.5
95.04945	0.8
95.08608	3.0
97.06533	13.9
98.98465	100.0
102.64240	1.0
105.07023	2.9
107.04939	0.9
107.08601	1.6
109.06507	1.0
109.10163	2.0
110.31365	0.8
111.04456	0.9
111.08086	0.8
116.98717	0.9
116.99506	5.7
117.14589	0.8
119.08554	2.0
121.10126	1.8
121.67133	0.8
124.91470	0.8
129.07069	0.9
131.08568	2.4
133.10109	2.0
135.36575	0.7
140.01074	1.3
143.08516	2.3
145.10141	1.6
147.11671	1.0
157.10074	1.4
171.11652	1.3
174.99211	9.2
176.98878	4.1
177.99307	1.0
180.05624	0.8
185.13217	0.8
187.07573	0.9
199.11044	0.8
213.09003	0.9
233.11743	0.8
241.12207	1.0
243.06488	14.9
252.99657	1.3
257.07925	0.9
270.05252	2.3
271.06073	10.5
285.07574	6.7
285.11127	2.7
286.08356	14.6
313.07254	2.3
314.07846	48.5
315.08356	1.4
323.66537	0.8
329.10181	86.6
329.21191	2.4
329.28360	1.9
330.10538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
55.93063	0.4
56.05033	4.7
57.03438	0.6
57.07062	0.6
58.06593	0.4
60.04525	11.4
67.05514	3.1
68.05037	0.5
69.07077	2.7
70.06596	1.4
71.60429	0.5
72.04520	1.8
74.06079	100.0
75.06393	0.4
79.05485	2.3
80.05014	0.3
81.07053	3.4
83.08617	1.9
84.43710	0.4
86.06069	1.1
88.07634	0.7
91.05483	1.1
93.07041	1.9
94.06555	0.9
95.04950	0.5
95.08595	2.5
97.10168	0.9
98.98464	29.3
100.07608	0.4
102.05508	0.4
105.07056	1.0
107.08617	0.8
109.10175	0.7
116.99518	1.5
119.08565	0.6
120.94765	0.4
121.10152	0.9
123.21542	0.4
130.08653	1.1
130.93301	0.5
135.11714	0.6
174.99196	2.5
176.98999	1.0
190.95412	0.9
208.96524	0.9
232.96440	2.2
250.97601	1.1
280.26431	1.4
292.26331	0.9
298.27261	0.7
310.27393	1.5
328.22482	21.3
328.28491	5.6
328.32193	4.2
329.22791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.80280	1.3
55.01857	4.3
55.05260	2.2
55.05508	33.6
56.96556	1.7
57.07069	1.9
57.86794	1.5
67.05505	9.3
69.03415	4.7
69.07078	12.6
69.41842	13.1
79.05492	20.7
81.07053	12.0
83.04974	3.2
83.08616	25.2
91.05476	14.0
93.07043	8.1
95.04970	3.3
95.08584	5.0
97.06524	2.9
97.10169	48.3
98.98463	100.0
105.07021	9.0
107.08593	48.1
109.06532	4.2
109.10135	2.3
111.08105	1.6
116.98671	2.4
116.99494	6.1
117.07013	2.5
119.08556	4.2
121.10149	1.8
125.09625	35.5
131.08574	3.0
133.10120	6.0
135.08044	3.0
135.11662	1.8
140.01060	1.9
143.10617	2.2
145.10129	3.4
147.11702	6.0
153.09059	3.0
153.12701	1.4
157.10065	1.4
159.11655	3.5
171.10236	2.7
172.94257	1.6
174.99251	8.4
176.98920	3.9
189.11212	57.5
190.95361	8.5
208.96443	6.6
232.96489	8.8
239.17984	1.7
246.98227	1.5
250.97623	8.5
250.99715	1.8
257.18985	5.8
269.52127	1.6
275.20065	36.4
280.94943	2.7
293.21078	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.3
56.96548	3.5
65.10565	1.5
67.05512	10.0
69.03407	2.0
69.07063	6.1
71.04979	1.5
71.59309	2.0
79.05476	11.1
81.07039	8.6
83.04963	2.5
83.08613	4.1
91.05468	6.5
93.07033	10.1
94.95937	1.7
95.04977	3.3
95.08601	7.6
96.62161	1.5
97.06491	1.9
97.10170	4.4
98.98464	100.0
105.07031	4.2
107.08599	7.8
109.10159	5.2
116.99475	5.3
117.07024	2.0
119.08572	5.7
121.10145	5.9
125.09620	6.1
130.93272	2.9
133.10117	4.0
137.09543	1.7
140.01083	2.4
145.10109	3.0
147.11642	2.2
173.11734	2.5
174.99225	7.3
176.98929	4.2
189.11203	7.5
190.95375	12.3
208.96423	8.5
232.96410	9.2
250.97609	8.2
255.98126	2.0
275.20004	6.4
280.94717	3.6
328.24908	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
56.96551	1.7
67.05499	5.6
69.03423	0.8
69.07049	1.7
69.78185	3.1
70.06568	0.9
73.14752	0.5
79.05494	3.6
81.07056	4.3
83.04980	1.2
83.08625	0.8
88.07633	0.8
91.05466	2.9
93.07037	4.3
95.04967	1.6
95.08591	2.7
97.10185	1.7
98.21387	0.8
98.98462	100.0
100.98920	0.6
105.07020	2.0
107.04961	0.6
107.08599	2.2
109.10150	3.3
109.13559	0.5
116.98683	1.4
116.99496	4.6
119.08573	2.1
121.10142	2.5
125.09641	1.1
130.93333	0.9
131.08559	1.0
133.10132	1.6
134.99648	1.2
135.11678	0.6
137.09605	1.3
140.01089	1.7
145.10095	1.0
149.09593	0.7
159.11703	1.2
172.13367	0.7
172.94342	1.0
173.11760	1.2
174.99236	7.7
176.98891	3.2
189.11174	0.6
190.95410	3.3
208.96452	2.0
227.52390	0.5
232.96494	3.3
250.97559	2.8
250.99962	0.9
252.99728	1.2
256.26376	1.7
275.20148	2.1
280.95166	0.7
313.41873	0.5
328.28433	4.8
345.11041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63720	0.8
55.01864	5.6
55.05498	2.9
56.96553	2.8
58.06599	20.2
59.07151	0.9
59.07385	8.1
60.08161	48.3
67.05496	3.0
69.07061	8.0
71.04988	20.9
73.02888	1.2
79.05476	3.2
81.03406	1.6
81.07048	3.6
83.08645	4.5
85.06525	1.4
86.09705	16.5
91.05471	1.5
93.07024	2.5
95.05011	1.4
95.08611	2.6
97.06516	4.2
98.98467	68.5
99.04457	5.3
102.85547	0.9
105.07023	1.6
107.08569	1.2
109.10107	1.2
116.98701	1.3
116.99494	3.4
119.08594	1.3
121.10160	0.9
132.10207	6.6
134.99629	1.2
145.10100	1.2
147.30194	0.9
153.12767	5.1
158.11794	4.0
172.94284	1.5
174.99239	4.9
176.12823	89.3
176.98958	2.5
187.70235	0.9
190.95396	7.7
208.96432	4.8
232.96506	4.9
250.67847	0.9
250.97397	5.0
256.01596	0.9
269.17526	2.5
280.94971	1.3
328.24823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
56.96560	2.3
59.04994	3.4
69.03431	2.5
70.06590	6.5
71.60314	1.4
72.08161	6.3
73.06557	13.5
79.05515	1.7
81.03432	2.0
84.04510	1.1
84.08147	2.5
85.02914	5.4
86.09711	11.2
89.06036	23.0
91.05505	2.0
93.07050	2.3
95.04975	1.4
97.02892	2.8
97.06532	0.8
98.68616	1.0
98.98469	100.0
99.04449	0.9
101.03910	0.9
103.05478	4.6
107.04992	1.1
107.07117	1.0
107.08614	1.0
110.07145	1.5
112.22823	1.0
116.07116	5.7
116.99519	4.6
117.09125	1.2
119.05012	0.9
120.08113	24.7
127.03977	1.2
130.63483	1.1
131.04988	0.9
131.10695	1.6
133.08595	15.6
136.06200	3.4
136.07567	1.7
137.06003	1.5
138.03954	0.9
140.01091	1.1
146.99641	0.9
148.07578	27.4
149.08009	1.3
149.11737	5.7
150.09155	6.7
151.03917	0.9
151.09660	1.2
152.07211	1.3
165.05516	0.9
166.08673	10.4
174.99294	9.0
176.98941	3.8
177.00554	1.2
177.11230	6.8
185.16492	2.7
186.97093	0.9
187.10889	1.1
195.08093	1.0
195.12347	1.0
213.16005	1.2
239.14830	2.1
283.17532	20.7
315.14835	1.1
328.12808	1.1
350.00226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
56.96561	1.9
57.03441	1.3
59.05003	10.7
67.05509	1.2
69.03423	2.8
69.07075	1.5
70.06577	9.0
71.58910	1.2
72.08149	8.6
73.06554	19.1
74.06078	1.2
79.05492	2.2
81.03410	1.1
81.07059	2.0
84.04520	1.0
84.08134	3.7
85.02895	5.6
86.09702	16.8
87.04475	1.6
89.06029	6.9
91.05489	1.7
93.07025	2.2
93.39986	1.0
95.04958	2.0
95.08605	1.2
96.08160	0.9
97.02864	1.8
98.98465	100.0
99.04459	1.5
100.98878	1.5
103.05450	4.5
103.58238	0.9
105.07047	1.1
107.04967	2.0
109.02861	1.1
116.07088	8.6
116.98736	1.3
116.99509	6.2
117.09122	2.6
119.04971	1.8
120.08101	43.3
127.03925	2.1
129.10223	1.4
130.04922	1.1
131.10638	1.9
133.08588	5.7
134.99637	1.2
136.07588	2.2
137.06006	1.8
138.05510	1.7
148.07565	26.1
149.07919	1.4
149.11732	11.2
150.09157	2.4
166.04962	1.5
166.08653	6.0
167.97226	1.1
174.99216	7.3
176.98946	3.1
177.11188	1.6
182.08162	2.8
185.16476	5.0
187.10796	1.2
213.15970	3.1
215.13817	1.5
221.15738	1.1
237.02840	1.4
283.14771	1.5
283.17432	6.1
322.33203	1.0
328.12344	1.0
329.12030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
50.27017	2.0
55.05517	19.6
55.21685	2.2
57.07076	32.6
61.66603	2.2
62.06065	2.8
62.35224	1.9
67.05213	2.2
67.05512	24.1
67.05851	4.1
69.07068	29.3
70.69109	6.2
70.69469	3.5
71.08636	33.1
79.05480	7.2
81.02587	3.0
81.07053	37.2
81.36549	1.9
83.08627	27.7
85.06554	2.5
85.10171	9.0
91.05466	3.8
93.07050	7.2
95.04955	2.6
95.08602	30.2
97.06515	4.1
97.10166	25.5
98.98467	100.0
101.00845	2.2
105.07050	2.5
107.08566	3.2
109.10141	9.6
111.08076	3.1
111.11700	10.1
116.99508	3.6
119.08556	3.3
121.10132	8.3
123.11697	5.1
125.13292	3.1
133.10092	5.5
135.11693	5.5
137.13220	4.5
141.12674	4.6
147.11699	3.1
147.52719	2.1
155.14345	3.6
161.13313	2.5
165.16251	2.3
174.99217	8.1
189.16360	2.8
191.17891	2.3
203.17969	2.7
215.65881	2.6
273.25693	5.7
278.82788	2.1
281.28369	6.8
291.26791	5.5
309.27802	3.2
327.07721	7.1
327.28946	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05511	9.0
57.07075	6.6
59.04977	1.1
62.06074	2.1
65.03944	1.8
67.05505	17.3
69.07073	8.1
70.51165	1.2
70.79101	3.0
71.08619	3.0
72.08173	2.0
79.05497	10.3
81.03403	3.1
81.07060	15.3
83.04962	2.4
83.08610	3.2
85.06532	1.5
91.05476	18.3
93.07047	35.7
95.04970	30.6
95.08050	1.9
95.08611	25.1
97.06547	7.2
97.97820	1.2
98.98468	100.0
103.05477	2.1
105.06385	1.9
105.07036	26.8
107.04997	1.5
107.08591	19.1
109.06513	5.9
109.10155	8.5
109.89596	1.2
116.06215	1.2
116.99525	5.3
117.07030	8.9
119.07796	1.8
119.08590	26.9
121.06481	6.1
121.10143	13.6
122.45979	1.1
123.08081	5.4
123.11707	4.1
128.06226	1.9
129.07005	3.3
130.07773	1.8
131.08574	12.7
133.06503	1.8
133.10153	19.0
135.08066	4.8
135.11670	5.0
137.05969	1.6
137.09598	2.1
140.01125	1.6
141.63937	1.0
142.07835	5.6
143.08553	8.7
144.09334	1.5
145.06532	1.6
145.10138	17.3
147.08028	2.4
147.11676	7.8
149.13322	1.6
152.06209	3.3
155.08551	3.8
156.09369	3.3
157.10139	13.7
158.10919	1.9
159.08047	2.4
159.11719	15.7
161.09630	6.3
161.13219	1.8
162.53001	1.2
163.11269	1.5
165.07066	1.3
167.08521	2.4
169.10109	7.7
170.10904	1.5
171.11693	7.5
172.95265	3.3
173.13300	5.7
174.99249	11.5
175.11156	1.7
175.14903	8.4
179.08481	1.2
181.10088	2.8
182.10948	2.0
183.11717	4.1
184.12544	1.9
185.13266	4.6
187.11156	2.0
187.14809	6.9
189.16449	1.5
190.96294	1.7
194.10947	1.5
195.11664	3.1
197.13252	4.2
199.14830	4.9
201.16461	2.1
203.14314	1.1
205.15805	1.8
206.10938	1.9
207.11636	1.3
209.13263	3.0
211.14783	3.5
213.16328	1.1
217.15889	2.5
220.12337	1.0
221.13326	2.7
225.16382	3.5
227.14177	1.4
233.03644	1.8
235.14796	1.5
250.97490	1.5
251.00014	1.3
271.20599	1.5
295.22705	2.1
306.12985	1.9
309.22232	2.5
327.07819	8.0
327.23135	9.1
335.00412	1.4
337.05350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.4
52.32489	1.1
53.03952	10.4
55.01872	1.6
55.05496	5.3
57.03445	1.4
57.07071	6.2
58.10444	1.2
67.05502	11.3
69.07072	8.2
71.04966	1.5
71.31120	2.8
72.08156	11.3
74.06060	1.3
77.03951	2.9
79.05497	10.8
81.07058	15.0
83.08601	4.3
86.41019	1.1
91.05478	14.5
93.07040	24.8
95.04971	49.2
95.08055	1.5
95.08618	20.9
96.05264	1.7
97.06541	7.3
97.10181	1.4
98.98464	75.6
103.05493	1.5
105.04501	2.2
105.07035	21.7
107.08601	15.1
109.06499	6.3
109.10154	10.1
111.04434	1.3
116.99482	3.8
117.06315	1.2
117.07019	8.2
119.08573	22.1
121.06492	3.9
121.10137	12.5
123.08057	4.8
123.11700	2.5
128.06219	3.1
129.07013	3.0
130.07753	1.5
131.08568	9.9
133.06541	1.6
133.10139	14.5
135.08026	4.8
135.11684	5.1
137.09624	2.7
141.06941	1.9
142.07765	4.5
143.08554	8.2
144.09328	2.4
145.10123	14.3
147.11664	5.5
149.09630	1.8
152.06201	29.0
153.07005	19.9
154.07298	1.3
155.08624	3.4
156.09360	3.3
157.10121	10.9
159.11687	12.0
161.09621	4.8
161.13266	2.3
167.08540	2.4
168.05734	9.7
169.06497	4.3
169.10136	5.8
171.08038	3.0
171.11691	4.5
173.09554	1.9
173.13258	5.8
174.99196	9.2
175.01582	3.2
175.14870	7.0
179.08627	2.2
181.10178	2.1
183.11676	3.8
185.13245	4.1
187.11177	3.2
187.14853	4.6
189.16348	1.6
195.11723	1.8
197.13272	5.0
199.14786	3.6
201.16422	3.2
207.11713	2.3
209.13258	3.3
211.14832	3.6
215.02536	6.2
217.15793	1.8
227.08478	1.6
228.09351	5.8
229.09923	2.9
233.03633	29.6
235.14716	1.7
249.16383	1.4
251.04695	15.4
257.18491	1.2
309.22116	2.5
310.31061	9.0
327.07819	100.0
327.23230	7.8
327.33536	8.7
328.08112	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	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01869	2.3
55.05508	4.9
56.96553	1.9
57.03441	7.3
67.05516	7.7
69.07067	5.4
70.38715	4.4
71.04993	5.4
79.05489	10.0
81.03423	2.4
81.07059	16.8
83.08636	3.2
85.06541	3.8
91.05460	8.2
93.07034	9.2
95.04965	5.0
95.08594	6.0
97.06532	5.4
97.10162	1.3
98.98466	100.0
99.08103	11.3
105.07024	6.7
107.04955	3.6
107.08580	7.0
109.06513	4.1
109.10141	2.3
113.05993	3.4
116.98687	1.7
116.99490	3.9
117.07022	3.0
119.08547	6.3
121.06502	3.4
121.10136	3.9
123.08073	5.0
129.07028	1.8
131.08546	7.4
133.06477	1.8
133.10136	3.8
135.08076	2.6
135.11655	2.4
137.05988	6.5
137.09618	1.5
137.35127	1.0
139.33110	1.2
143.08527	3.0
145.10124	4.5
147.11673	2.3
149.09636	2.4
149.13255	1.6
155.08412	1.2
157.10361	1.3
159.11749	2.8
161.73077	1.4
173.13263	2.4
174.99196	13.1
185.13306	2.1
195.08075	1.7
199.14714	1.4
202.04935	1.3
203.14317	1.4
205.12260	1.3
210.11694	1.4
217.15800	2.0
219.13843	1.6
221.15280	10.2
223.13394	1.5
232.96365	1.6
245.18947	1.6
250.97615	1.3
251.00003	1.7
259.05600	1.5
267.09891	1.5
273.18439	14.1
274.67160	1.3
277.01212	1.4
287.05157	2.1
291.19525	22.9
309.20654	4.2
311.05441	2.5
327.05032	5.0
327.12405	4.2
328.08139	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	327.2167
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.86628	1.4
55.01871	4.5
55.05513	22.2
57.03440	11.0
65.03922	1.6
67.05508	21.7
69.03416	3.8
69.07069	29.7
70.12906	1.7
71.04995	17.7
71.18288	1.5
71.21864	3.5
72.93379	1.3
79.01877	2.7
79.05492	26.1
81.03431	7.6
81.07059	29.0
83.04977	3.2
83.08627	11.3
86.09733	1.9
89.06034	2.1
91.05483	13.4
93.07043	13.3
95.04985	11.9
95.08617	18.0
96.41401	1.5
97.06542	10.6
97.10168	14.8
98.98470	100.0
99.08096	3.5
105.07038	14.8
107.04972	6.6
107.08586	12.0
109.06528	9.6
109.10181	5.3
111.08066	2.0
113.06012	2.3
115.07564	13.3
116.99541	3.8
117.07034	4.6
119.08566	11.7
121.06528	4.2
121.10138	9.1
123.08068	16.4
125.09657	16.3
129.07040	4.1
131.08562	8.6
133.06531	2.2
133.10127	5.6
134.31442	1.7
135.08064	4.7
135.11702	1.9
137.05946	2.5
137.09663	2.5
141.09088	2.9
143.08601	5.8
145.10159	7.4
147.08052	5.2
147.11696	3.5
149.09644	5.5
151.07571	4.4
155.08633	2.4
157.10187	4.4
159.11725	4.9
161.09686	3.8
163.07561	2.0
163.11171	2.7
165.09048	2.3
171.10150	3.1
171.11711	3.0
173.13245	2.9
174.99228	11.9
177.12714	1.8
183.11781	2.4
185.13316	2.2
189.11244	19.6
190.95435	2.8
195.11757	2.1
198.14098	1.9
207.08064	1.8
207.11778	1.6
211.13304	3.5
213.05464	1.7
217.15804	3.2
221.15353	19.0
223.13336	2.5
232.96527	2.6
235.16948	1.9
237.16518	2.0
255.17511	2.8
273.18484	16.1
277.08673	3.2
283.06027	20.7
291.19522	31.9
295.12885	1.5
309.20670	4.7
327.08685	25.2
327.12341	2.6
327.15961	14.5
327.23148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01861	3.0
55.05509	8.0
56.96558	1.0
57.03438	8.9
57.07057	1.0
66.86222	1.0
67.05505	12.3
69.03417	1.2
69.07063	8.7
71.04972	5.3
71.59641	1.1
71.60025	1.0
72.62418	0.9
79.05486	12.1
80.41470	0.9
81.03412	3.7
81.07056	18.6
83.01337	1.1
83.04967	2.5
83.08625	5.8
85.02940	1.4
85.06535	3.2
90.82932	1.0
91.05480	11.3
93.07039	13.7
95.04965	6.8
95.08602	11.4
97.06547	7.1
97.10172	4.1
98.98466	100.0
99.08096	10.2
103.05446	1.6
105.07017	10.2
107.04947	5.0
107.08586	8.7
109.02850	0.9
109.06519	6.0
109.10159	7.3
111.08101	2.3
113.05983	1.9
113.21342	1.2
116.98771	1.0
116.99494	5.3
117.07020	4.0
119.08585	7.4
120.08092	3.3
121.06478	2.9
121.10132	5.8
122.03589	1.0
123.08071	8.0
123.11710	2.1
125.09669	5.5
129.07008	1.8
131.04895	1.5
131.08585	5.8
133.02858	1.8
133.06462	1.6
133.10132	3.9
135.08081	2.1
135.11713	2.1
137.05962	7.3
137.09578	5.2
141.07095	1.1
143.08565	2.0
145.06490	1.7
145.10133	4.3
147.08041	3.1
147.11664	3.7
149.06000	1.3
149.09608	2.6
149.13280	1.5
150.03180	1.1
151.03888	3.1
151.04997	1.0
157.10201	2.3
159.08073	1.2
159.11697	3.3
161.05943	2.2
161.13286	1.6
163.07597	1.5
163.11166	1.0
165.05482	1.0
165.09111	4.3
171.11620	1.6
173.13272	1.4
174.99225	12.0
175.00706	1.5
175.11212	1.7
175.14821	1.1
177.05525	1.1
183.10225	1.4
183.11755	1.3
189.11226	2.7
195.08089	1.0
203.14352	1.7
217.15927	1.4
219.13757	1.3
221.15335	7.9
223.13377	2.8
237.09081	1.1
251.00145	1.7
253.08572	1.2
255.17403	1.3
263.19965	1.6
267.10104	1.2
273.18561	11.5
277.08652	1.7
283.09915	1.6
291.19522	23.2
295.09586	1.2
299.12708	1.2
309.20587	4.3
311.20050	1.0
327.08572	1.9
327.12308	4.9
327.25336	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91975	0.7
53.03954	1.4
55.01868	2.5
55.05511	18.1
56.96564	4.5
57.03439	2.0
57.07064	1.0
67.05502	10.4
69.03425	3.1
69.07061	5.8
71.00020	2.3
71.04967	0.8
74.87605	1.0
79.05493	12.3
81.03430	1.8
81.07059	13.6
83.04977	3.3
83.08627	11.2
85.06544	1.9
91.05473	5.9
93.07040	11.5
95.04954	6.8
95.08601	10.2
97.06531	3.4
97.10168	17.1
98.98466	100.0
99.08128	1.0
105.07023	4.7
107.04941	1.3
107.08595	8.3
109.06518	2.7
109.10168	4.2
111.08063	1.6
116.98682	1.4
116.99501	4.7
117.06991	1.7
119.08580	6.4
120.33722	0.9
121.06554	2.1
121.10155	6.3
123.08070	16.1
123.11716	3.9
125.09624	14.1
130.93300	1.0
131.08557	3.3
133.10118	3.6
134.99681	1.1
135.08054	2.4
135.11612	1.5
137.09642	3.2
139.11186	1.3
140.01039	1.4
143.08582	1.6
145.10117	4.6
147.08038	1.5
147.11679	1.6
149.09634	1.3
153.09090	1.2
157.10188	2.0
159.11708	1.0
161.06096	0.8
165.09157	2.8
169.12215	1.3
171.10301	1.1
171.11716	2.4
173.09668	1.5
173.13148	0.9
174.99249	12.1
177.09172	1.1
187.13287	2.9
187.14799	0.8
189.11220	15.4
189.12805	1.0
190.95377	1.5
193.12219	1.2
205.00235	1.2
208.96388	2.4
211.13220	2.7
227.17911	1.3
232.96526	2.7
245.18915	0.9
250.89270	0.8
250.97499	2.0
251.00070	1.6
255.17511	1.5
263.20142	1.0
273.18469	10.2
291.19574	9.5
309.17596	5.3
309.20694	1.9
327.07959	1.4
327.12125	0.9
327.18237	4.7
327.22379	1.8
345.19415	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03940	3.0
54.30714	0.8
55.01863	3.5
55.05510	36.1
56.56312	0.8
56.96565	8.4
57.03419	3.1
57.07083	1.0
57.64862	0.7
59.04996	2.2
67.05506	17.7
69.03427	5.2
69.07062	8.7
70.37074	2.4
70.37445	1.5
71.04977	1.6
71.95215	0.7
79.05492	20.1
81.03419	3.6
81.07058	23.3
83.04976	6.1
83.08617	22.9
85.06555	1.8
85.70551	0.7
87.04463	1.2
91.05480	7.9
93.07041	19.8
95.04967	14.3
95.08603	15.9
95.09161	1.4
97.06532	1.7
97.10170	39.6
98.98466	100.0
99.08061	1.4
101.09643	0.9
103.05496	0.9
105.07043	6.5
107.04947	3.2
107.08578	12.9
109.06516	3.4
109.10148	5.4
111.08091	1.3
116.98709	1.2
116.99493	5.4
117.07036	3.9
119.08586	9.9
121.06499	1.3
121.10143	11.7
123.08068	36.2
123.11678	4.7
124.08367	0.8
125.09626	28.7
128.11824	0.7
128.98682	0.8
129.06999	1.9
131.08571	4.7
133.02861	0.9
133.06485	1.7
133.10139	4.8
135.08070	5.4
135.11707	1.8
137.05997	4.0
137.09613	5.1
139.11176	1.9
140.01086	0.9
141.09151	1.2
143.08549	2.8
143.10661	2.1
145.06543	0.9
145.10117	6.0
147.08049	3.3
147.11642	1.3
151.11188	1.0
153.09125	3.7
157.10155	2.2
159.08051	0.9
159.11678	2.1
161.09650	1.9
163.11290	1.0
165.09113	6.5
169.12245	3.9
171.10287	1.5
171.11751	1.2
173.09695	0.9
173.13232	1.3
174.99226	12.1
175.11154	1.9
181.10138	0.9
183.10191	1.0
185.13271	1.1
187.13278	6.4
187.14757	1.1
189.11209	33.2
189.12917	1.8
190.11644	1.0
190.95419	2.6
193.12267	1.3
199.14838	0.9
208.96497	2.3
211.13309	4.9
217.15898	1.0
219.33307	0.9
223.13287	2.9
227.17979	2.4
232.96536	2.1
233.15445	2.5
237.16350	1.0
237.20757	0.8
245.19034	1.6
250.97520	2.2
251.00047	1.2
255.17410	3.6
263.20093	1.5
273.15649	0.8
273.18478	22.4
274.18860	1.4
291.16309	3.9
291.19455	18.3
292.19852	1.0
307.16061	0.9
309.17395	17.9
309.20691	6.2
310.17563	0.9
327.08075	1.7
327.12253	1.7
327.18442	18.1
327.21826	1.2
327.26627	1.1
328.18668	0.9
345.19522	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	327.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01873	0.7
55.05487	0.8
56.96550	1.2
61.02912	0.7
65.01736	0.6
65.03919	0.6
67.05499	2.0
69.03430	1.1
69.07081	0.7
70.06593	3.2
72.08147	2.3
73.06554	1.1
73.76094	0.6
79.05515	1.5
81.03429	0.6
81.07047	1.5
83.08637	0.6
84.04520	0.8
84.08108	0.9
85.02934	1.4
86.09703	1.2
87.04486	3.0
89.06030	100.0
91.05492	3.0
93.07018	1.3
94.04196	1.2
95.04966	1.3
95.08601	1.0
97.02905	0.8
98.98464	60.8
103.05466	5.1
105.07022	3.4
107.04945	1.2
107.07054	4.6
107.08597	1.2
109.02924	0.6
109.06530	1.5
111.04462	0.8
115.05451	1.3
116.98719	0.7
116.99442	2.7
117.07014	1.3
119.04921	0.6
119.08569	0.7
120.08166	0.6
121.06533	1.6
122.03646	2.8
123.08067	0.6
127.77721	0.7
130.08673	1.5
131.04906	6.3
131.06973	0.7
131.08882	0.6
133.06487	7.9
133.08601	46.7
134.04628	0.5
134.08961	0.7
134.99667	0.7
135.08032	3.1
137.05977	40.0
138.06334	1.4
143.04945	1.3
145.06514	2.6
147.07957	0.7
149.05977	1.2
151.03908	14.0
151.05083	1.4
151.07536	2.9
151.09680	1.0
160.05205	0.9
163.07536	12.3
165.09082	0.7
171.08060	0.8
174.99237	7.7
175.07504	3.0
177.09018	0.8
177.09734	0.9
177.11226	8.0
182.04890	0.8
195.12263	0.8
203.07030	1.5
208.02797	0.8
221.13707	0.7
235.11314	0.8
236.77841	0.5
239.14987	1.3
250.99995	0.8
263.10815	1.0
283.17554	1.8
295.10101	0.8
295.13312	2.3
327.08148	1.2
327.11871	0.9
327.14496	2.9
327.20206	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03933	0.7
55.01860	1.7
56.96555	1.2
59.11719	0.6
59.91287	0.6
63.66008	0.7
65.03947	1.0
67.05505	1.2
69.03442	0.5
69.77039	2.2
69.77454	1.4
70.06586	2.4
72.08150	1.9
74.06094	0.8
79.05106	0.5
79.05492	3.7
81.03373	0.5
81.07041	1.8
84.04497	1.2
84.08154	0.9
85.02917	0.8
86.09705	3.0
89.06030	13.6
91.05485	5.3
93.07027	1.1
94.04179	2.7
94.04705	0.6
95.04962	1.5
98.98466	76.2
103.05467	19.9
105.07034	10.1
107.04951	2.5
107.07070	0.6
107.08639	0.7
109.06510	2.5
109.55750	0.6
115.05466	2.0
116.99467	4.2
117.07042	3.0
119.04939	1.8
119.94772	0.7
121.06516	5.8
122.03647	7.8
123.04465	0.7
123.08064	0.8
129.06984	1.5
129.10269	0.6
131.04927	23.4
132.05148	0.8
133.02847	1.4
133.06490	37.6
133.08580	7.3
134.04626	2.4
135.08063	12.7
136.05211	0.8
137.05977	100.0
138.06364	1.1
143.04912	1.5
145.06474	8.6
147.04413	1.5
147.08052	2.9
149.06006	2.8
151.03915	11.5
151.05000	1.0
151.07558	12.6
157.06519	3.5
160.05273	0.8
161.06004	1.9
162.06740	0.9
163.07544	52.8
164.08015	0.6
165.02365	1.1
165.05458	1.2
171.08029	2.1
173.05936	0.6
174.99214	10.4
175.07530	3.6
177.05452	0.9
177.09151	1.4
177.11205	1.4
182.04979	12.3
187.07565	1.4
188.08215	0.8
189.09100	2.1
202.07875	0.7
203.06982	1.9
203.10649	1.8
207.08029	1.1
208.02867	12.4
219.08102	1.1
220.08746	1.0
221.06049	1.3
231.05409	0.7
235.07568	0.9
235.11212	2.0
245.09654	0.8
249.05438	0.8
250.99939	1.2
263.10620	4.7
295.05975	1.3
295.13254	10.2
298.22562	0.6
309.11267	0.8
327.08395	2.5
327.12225	3.5
327.15891	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	327.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	41.8
57.07052	0.9
67.05486	1.5
70.98119	10.5
71.05965	1.6
71.95261	1.7
74.97604	2.5
81.07050	1.4
85.43829	0.9
88.99162	9.1
92.98595	1.0
95.04964	1.1
95.08584	1.1
98.97581	32.4
98.98453	93.4
102.70261	0.9
107.00157	2.3
107.08608	1.1
110.97836	1.0
116.98629	39.8
116.99474	4.2
124.15857	0.9
133.01698	1.0
134.99652	31.5
137.06049	1.3
140.00146	2.7
147.39751	0.9
153.00697	6.4
155.03783	2.1
158.01251	2.3
159.03316	4.6
161.20253	0.8
169.05324	2.0
171.03282	1.8
173.04851	12.5
174.99243	11.8
177.04297	3.0
185.04865	2.7
187.06390	11.7
189.04350	1.0
190.95442	1.8
191.05917	7.8
193.05269	0.8
195.07013	1.5
196.06497	0.9
199.06433	1.0
201.04193	1.5
201.07924	1.1
205.07513	7.4
205.09247	1.2
210.07973	1.1
213.07962	2.1
214.07423	1.2
219.09009	1.9
221.08455	1.7
223.10059	26.6
225.11664	2.3
232.96265	1.1
237.07870	1.8
237.10118	1.3
239.09587	4.3
241.11098	37.4
243.12706	2.1
250.99934	1.3
251.09486	1.0
253.11021	6.9
255.09097	1.9
255.12666	5.5
257.10638	1.4
259.12228	4.8
264.12787	3.9
267.12735	3.6
269.10620	2.5
271.12155	9.2
273.10458	0.9
273.13721	3.9
283.12152	2.1
285.13715	57.4
286.13980	1.8
287.11627	2.8
291.06567	1.0
297.13672	18.7
298.13943	1.2
303.14801	3.7
308.15375	2.3
315.14792	4.2
326.16501	1.2
327.14774	100.0
328.15143	5.9
338.16425	1.0
347.69626	0.9
349.88364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Egonol
Peak:m/z	Relative Intensity
55.01620	1.5
55.01873	23.1
55.05518	1.1
62.64830	0.7
65.03944	2.4
67.05499	3.7
69.03427	1.1
69.07066	1.1
69.78480	2.2
69.78909	2.9
70.06558	0.7
79.05496	5.6
81.03416	1.6
81.07050	4.8
83.08633	1.1
91.05495	7.0
93.07023	2.2
94.04166	2.2
95.04974	4.1
95.05481	0.7
95.08607	2.5
98.98466	100.0
100.54018	0.7
102.04678	2.7
103.05466	2.4
105.07028	7.6
107.04952	6.7
107.08598	1.2
109.06527	5.0
109.10169	1.1
111.04430	4.3
114.49474	0.7
115.05450	3.6
116.99515	5.8
117.03365	0.9
117.07015	4.6
118.04118	0.9
119.04949	5.2
119.08573	1.4
121.02898	1.0
121.06467	1.0
121.10144	1.0
122.03656	6.2
123.04440	0.9
123.08038	2.0
125.05991	3.6
128.06183	1.5
129.07013	2.7
130.04109	6.4
131.04945	5.2
131.08578	1.1
133.02824	0.8
133.06493	5.6
133.10123	1.1
134.99617	0.9
135.04414	2.8
135.08061	1.2
136.07658	0.9
137.05974	57.9
140.01096	1.3
144.05661	0.8
145.06500	8.2
146.03615	5.2
147.04414	20.0
147.11681	1.2
149.05963	2.2
150.06731	2.6
151.03914	6.9
151.05019	1.4
152.06224	1.8
153.05472	4.3
153.06923	1.3
155.04909	2.4
155.08638	0.8
157.06493	4.3
161.05991	20.5
161.07254	1.6
162.06755	17.8
163.07570	1.9
165.05507	18.4
165.06989	3.4
166.07773	1.0
169.06557	1.0
171.11734	0.9
173.05969	8.2
174.99226	13.9
175.07594	1.5
177.05510	1.1
178.07771	8.9
179.08592	2.7
181.06520	1.9
185.05975	7.2
189.07056	2.5
190.07805	3.6
190.95432	2.5
191.08533	4.4
193.06474	1.1
193.10156	4.4
194.07307	1.8
195.08023	3.0
202.07771	15.2
203.06918	1.0
203.08566	14.7
204.09354	0.8
205.06476	6.7
206.07341	4.5
207.08070	5.8
208.08849	1.5
208.96439	1.3
211.07536	1.1
217.06349	1.4
218.07285	3.8
219.08054	14.8
220.08777	4.6
221.06099	1.9
221.09593	7.5
222.06760	1.4
223.07611	4.7
230.07408	1.0
231.08038	25.9
232.08751	2.2
232.96567	1.8
233.05977	1.5
233.09506	0.9
234.06769	8.4
235.07478	6.3
236.08296	3.4
237.09125	2.9
239.07062	3.9
240.07877	1.6
245.05956	1.6
247.07550	13.1
248.08316	7.8
249.09128	15.1
250.06259	1.0
250.09814	2.2
250.97615	1.8
251.00053	2.0
251.07001	1.7
251.10713	2.4
253.08644	1.0
254.09433	2.2
258.06662	1.8
259.07544	18.3
260.08353	2.1
262.06085	1.1
263.07080	0.9
263.10641	2.3
264.07831	2.7
265.08609	4.7
266.09387	2.2
267.10043	2.0
268.07257	1.4
276.07858	5.0
277.08591	57.0
278.09073	1.8
279.07217	1.2
279.10101	5.5
281.11581	4.0
281.65555	0.9
282.08875	1.1
283.09653	3.4
291.10165	15.0
291.19540	2.2
294.08884	1.7
295.09659	1.8
297.07806	1.1
297.11206	32.7
299.12775	3.5
309.11206	48.9
310.11374	1.2
327.08347	2.1
327.12183	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	327.1228
Annotation	Moracin O
Peak:m/z	Relative Intensity
53.03934	2.6
54.37704	1.1
55.01620	2.1
55.01872	26.8
57.03398	1.4
59.97273	1.1
62.26789	1.0
64.93865	1.2
67.05495	3.1
70.48279	2.6
79.05496	8.6
81.07068	2.1
89.03876	1.3
91.05459	5.1
91.98657	1.2
93.07015	1.5
95.04973	20.1
95.08591	2.5
98.98464	57.9
103.05469	8.5
105.07016	4.2
107.04954	82.5
109.06504	2.6
115.05448	7.4
116.99517	3.1
117.06998	1.3
119.04939	4.2
121.02863	5.3
121.06481	3.4
122.03652	1.7
123.04411	14.3
123.08013	2.0
125.02599	1.2
128.06213	1.9
131.04929	60.0
132.05688	4.0
133.06502	7.1
135.04424	14.9
137.05966	17.7
143.04922	5.7
144.05716	2.8
145.02831	2.7
145.06467	2.5
146.03636	1.5
147.04381	3.8
147.08000	1.3
149.05934	3.0
151.07492	1.5
152.06140	1.5
155.04938	3.9
157.06473	1.8
157.72964	1.4
159.04398	4.2
160.05099	2.6
161.05972	5.6
163.03929	1.3
163.07547	4.9
165.05505	2.1
165.06953	3.4
171.04413	4.4
172.05199	2.9
173.05893	1.2
174.06789	3.1
174.99155	7.2
175.07535	6.6
177.05504	7.8
177.06827	1.5
178.07829	7.1
179.07043	5.3
179.08511	1.6
181.06490	3.4
183.04333	2.7
183.08017	1.4
185.05977	2.5
187.07477	6.2
189.05495	1.4
189.07025	2.0
190.07671	2.3
191.08565	5.3
192.09213	1.4
193.10178	3.3
194.07239	4.8
195.08060	3.6
202.07793	13.9
203.06953	7.8
203.08655	14.9
204.09254	2.2
204.80275	1.1
205.06493	8.2
206.07254	4.1
207.08084	7.1
209.09576	2.4
210.06760	1.5
211.07542	1.6
215.06932	7.9
218.07239	4.8
219.05952	1.3
219.08051	24.3
220.08771	10.0
221.06065	1.7
221.09663	9.4
222.06758	3.4
222.10141	1.3
223.07573	4.1
230.07353	2.0
231.08037	53.1
232.08690	4.0
233.05984	2.2
234.06775	5.3
235.07542	7.2
236.08298	3.7
237.09036	8.8
239.06958	2.1
243.08005	2.2
245.09612	1.3
247.07536	28.5
248.08328	16.8
249.09158	18.9
250.06442	2.5
250.09737	2.2
251.07234	1.6
253.08739	2.0
254.09416	2.1
258.06821	3.2
259.07550	35.3
260.08295	19.6
261.09210	3.3
262.09717	1.4
263.08176	1.2
263.10724	9.4
264.07770	7.7
265.08563	11.7
266.09314	2.8
267.10202	3.4
273.09048	1.7
275.06973	4.5
276.07825	17.5
277.08582	18.9
278.09323	3.5
279.10172	16.4
281.11679	3.9
283.09302	1.4
291.10147	100.0
291.19583	4.0
292.10568	2.0
292.77286	1.2
293.08170	1.5
294.08820	2.6
295.13199	1.4
297.11194	31.0
309.11185	47.7
310.11575	1.4
327.12271	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	327.1222
Annotation	Egonol
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	7.9
55.05509	1.9
56.96550	1.0
57.03457	0.7
57.07076	0.9
65.03936	2.3
67.05497	4.1
69.03423	1.7
69.07059	1.2
70.74116	2.2
71.04996	2.0
72.43602	0.7
77.03925	1.2
79.05482	4.7
81.03423	3.6
81.07059	5.2
82.06584	1.3
83.04951	0.9
83.08624	2.3
85.06545	0.9
86.09673	1.0
91.05478	7.5
93.07051	2.3
95.04969	5.8
95.08600	3.3
97.06525	1.2
97.10160	0.7
98.98466	100.0
100.11269	3.2
101.11562	1.0
103.05474	4.9
105.07008	2.9
107.04278	1.2
107.04956	14.4
107.08601	2.0
107.30885	0.7
109.02876	2.0
109.06511	2.3
109.10164	2.9
110.03654	1.0
111.04428	5.6
111.08086	0.8
114.09179	1.3
115.05475	6.0
116.06181	0.6
116.98718	1.0
116.99507	6.3
117.03354	0.9
117.07016	2.0
117.75651	0.7
119.04908	1.1
119.08575	1.9
121.06507	5.2
121.10136	1.5
122.03677	3.5
122.04450	0.7
122.38390	0.8
123.04412	5.0
123.08074	0.9
125.05993	2.9
125.09589	0.9
127.03940	1.1
129.06970	1.0
131.04936	7.1
131.08597	1.1
131.35179	0.7
132.05650	0.9
133.02835	5.6
133.06487	3.3
133.10092	1.1
135.04422	1.1
135.08038	1.4
137.05986	23.6
137.09610	3.9
140.10698	1.5
143.04915	5.4
145.06488	1.5
146.03619	1.3
147.04422	2.0
147.08015	1.0
149.05983	4.3
149.13231	1.1
150.06721	1.1
151.03877	2.6
152.06219	0.9
153.05437	3.8
153.06871	1.0
159.04350	1.0
160.05164	3.8
161.06032	3.4
163.07570	4.0
165.05431	1.0
165.06979	1.8
165.09097	3.5
171.04414	3.2
173.06004	2.1
173.09705	1.2
174.99220	13.8
175.07568	7.2
177.05508	5.6
178.07813	2.4
179.07175	1.6
179.08528	2.1
181.06496	1.7
183.04311	0.9
185.05945	1.4
188.04736	1.5
189.07007	3.2
190.07758	1.2
191.06989	2.0
191.08583	0.9
193.06541	0.8
193.10101	0.8
194.07222	1.2
195.08022	1.5
202.07761	1.4
203.07002	8.6
203.08699	0.9
205.06528	2.4
206.07262	3.0
207.08086	3.6
210.06703	1.1
210.14764	1.2
211.07558	0.8
215.07042	3.3
217.06543	2.3
217.12238	0.7
218.07225	1.4
219.08002	3.7
221.06039	1.7
221.09673	1.8
222.06839	1.0
223.07549	2.8
224.08179	1.0
225.09030	1.6
231.08006	2.8
234.06712	6.7
235.07497	4.6
235.13231	1.3
237.09026	2.5
239.10590	1.3
245.05942	1.0
247.07518	4.3
248.08267	1.7
249.09106	8.7
250.99983	1.4
251.07031	3.9
252.07793	2.2
253.08646	1.3
261.09122	0.9
262.06180	2.6
263.06918	1.1
264.07727	1.4
265.08560	3.0
266.09311	2.1
267.06403	0.9
267.07278	1.0
267.10104	7.0
273.18506	1.0
276.07797	1.2
277.08578	10.6
279.06616	1.6
279.10083	3.7
282.08743	1.0
283.09525	2.6
285.11343	1.8
291.10028	2.0
291.19507	0.9
294.08817	4.3
295.09570	2.4
297.11185	5.1
309.07657	1.5
309.11157	11.2
309.16653	1.1
327.04623	0.9
327.08441	1.8
327.12186	26.4
328.08328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01862	4.0
55.05510	12.0
56.05037	1.7
56.32050	1.1
56.96562	6.3
57.03427	4.9
58.06591	4.4
61.02921	11.9
63.68810	1.1
67.05505	15.3
69.03431	18.8
69.07080	6.5
69.73721	6.5
70.06586	3.6
70.07426	1.3
71.04984	5.5
72.08155	34.0
73.02917	2.8
79.05493	8.5
81.03420	7.4
81.07047	10.0
83.01348	1.9
83.08617	25.1
84.04487	2.4
84.08125	1.7
85.02903	100.0
86.09214	1.8
86.09706	27.4
87.04455	2.5
91.03954	4.3
91.05456	7.2
93.07048	7.7
95.04955	4.3
95.08605	5.4
97.02885	26.0
98.09685	3.2
98.98461	95.4
99.04454	5.5
100.03962	2.0
101.09656	15.7
105.07012	4.8
107.04935	2.9
107.08559	4.3
109.02878	7.0
109.06554	2.1
109.10168	2.8
116.98642	3.3
116.99516	4.4
117.07036	2.3
119.08553	2.7
119.10741	1.7
120.08041	1.6
121.10175	2.5
124.11209	4.7
127.03911	25.8
129.10236	1.4
131.08568	2.3
133.10118	1.8
134.99658	2.2
137.05962	4.4
145.04956	43.6
146.99600	1.9
147.10176	4.9
147.11591	1.9
163.05994	7.6
164.07039	1.4
174.99223	11.4
177.00745	2.5
213.12331	5.0
214.08611	1.7
218.19025	2.1
225.07970	12.1
237.02919	2.0
243.09012	5.5
245.08640	1.7
272.23706	3.2
280.35782	1.5
280.41110	1.4
285.10156	2.2
286.19382	1.4
290.24768	25.7
308.25848	32.7
309.18283	1.6
326.11407	3.5
326.15128	1.5
326.19852	1.9
326.26898	20.7
330.07883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11631	1.2
53.03930	2.2
55.01867	3.4
56.96557	2.5
57.03424	4.3
58.06585	4.1
61.02904	1.7
69.03425	14.2
70.06584	10.7
70.12840	4.5
70.15408	1.5
73.02911	2.8
74.06065	1.4
79.05476	1.5
81.03432	6.5
81.25262	1.5
84.08131	2.1
85.02423	2.4
85.02901	35.4
86.09684	3.4
87.00814	13.0
92.42079	1.3
95.04966	1.8
97.02896	13.0
98.98461	100.0
99.04459	4.1
105.01865	31.0
109.02879	7.5
116.98689	2.3
116.99452	7.2
125.06008	1.6
127.03914	26.9
137.05975	5.8
141.05424	1.9
145.04929	13.1
150.05371	1.4
151.03906	29.0
151.05003	2.4
159.02913	3.5
164.07011	1.6
174.99223	12.3
175.07539	3.4
178.04976	5.2
179.03406	1.4
211.14503	1.6
213.12289	3.9
213.14265	1.4
231.05025	6.5
249.06033	2.0
250.99915	2.2
252.05002	6.5
262.07303	1.3
326.08640	4.6
326.12180	1.5
327.12036	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37370	2.1
56.96551	8.8
66.65436	2.4
69.07069	2.7
70.75620	4.9
70.75956	4.1
72.26337	2.0
74.06047	2.3
80.33207	2.3
81.07040	2.6
83.08584	2.6
93.07041	3.2
95.08598	3.7
97.06496	2.3
98.98459	100.0
116.98573	4.5
116.99485	5.9
130.99980	5.4
140.98404	3.4
143.00047	4.8
154.99982	2.7
156.97482	2.6
174.99135	23.7
185.01120	4.5
189.00613	15.9
203.02100	5.4
241.11124	5.6
259.12201	12.6
269.12390	2.5
285.06293	22.5
285.10028	7.1
303.11041	7.3
326.34390	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03951	4.3
55.05512	32.0
56.96564	12.2
57.07067	11.2
67.05505	37.9
69.03429	11.4
69.07066	69.7
70.06576	4.4
70.65456	11.7
71.04994	11.0
71.08631	4.6
71.34752	2.9
71.46848	3.2
79.05493	30.8
81.03416	6.9
81.07055	100.0
83.04993	4.5
83.08619	26.7
84.08125	4.1
85.02902	14.9
85.06541	7.5
85.10194	4.3
88.99801	2.9
89.03899	4.1
91.05464	22.0
93.07039	48.9
95.04945	8.2
95.08609	91.9
97.02882	11.4
97.06536	7.7
97.10175	14.4
98.97592	10.3
99.08096	3.7
100.11263	7.5
105.07024	37.5
107.04976	6.5
107.08607	40.3
109.02876	3.8
109.06522	11.0
109.10155	56.2
111.04427	3.4
111.08058	7.8
111.11775	6.3
116.98611	9.0
117.03414	3.9
117.07001	5.6
119.08582	26.5
121.06472	6.2
121.10140	40.2
123.08057	6.9
123.11703	30.5
125.09639	4.2
127.03858	4.3
127.11180	6.5
128.29616	3.4
131.08571	14.6
133.10143	22.0
134.09659	4.3
134.99625	4.7
135.04420	12.9
135.08055	5.8
135.11656	24.6
137.09613	11.3
137.13243	9.1
139.11166	5.3
145.02744	7.3
145.10123	13.0
147.11720	21.6
149.01215	4.4
149.09583	3.8
149.13277	20.4
151.11243	5.5
151.14874	4.7
153.00682	3.1
155.10670	10.7
159.11696	8.2
161.13272	11.3
163.03911	57.4
163.11226	4.0
163.14833	14.0
165.12724	9.6
169.12279	5.6
171.11720	4.0
173.13345	5.4
175.14830	9.4
177.16383	6.6
179.14392	4.2
187.14839	5.1
189.16368	14.0
191.17865	3.8
201.16368	4.1
203.17978	7.7
207.17464	8.0
215.17986	7.6
233.19058	4.5
237.02837	3.9
247.24165	4.0
271.24234	23.1
279.06570	3.8
289.25333	16.2
307.26279	19.2
325.15775	3.4
325.27344	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03872	8.4
53.03944	9.7
55.01871	20.1
55.05501	37.9
57.03427	35.4
57.04476	7.8
57.07080	10.9
62.06105	9.3
67.05508	78.1
67.75477	8.3
69.07087	53.7
71.04995	43.9
71.60425	10.6
71.60829	9.1
79.05490	69.5
81.07050	92.6
83.04977	23.4
83.08630	28.8
90.00264	7.7
91.05460	43.8
93.07051	68.2
95.04972	18.0
95.08611	60.1
97.06534	27.9
97.10174	21.9
99.08090	13.3
105.07040	53.5
105.07676	9.5
107.08621	64.6
107.09252	13.7
109.06536	13.3
109.10181	24.8
111.08089	33.4
112.43343	7.6
117.06993	14.0
119.08589	24.8
121.10125	47.0
123.08080	17.0
125.09602	15.2
129.07010	13.9
131.08574	32.4
133.10144	17.7
133.61259	8.9
135.08029	10.7
135.11676	14.0
139.11168	37.9
145.10139	19.7
147.11687	15.6
149.09634	18.2
153.09160	11.8
161.13278	9.3
163.03835	10.0
171.11711	10.8
173.13191	8.2
185.13289	14.5
203.12665	14.6
205.15898	10.8
217.14474	11.1
257.19028	16.2
266.25311	8.2
275.20020	100.0
293.21140	24.1
302.19092	8.1
325.26529	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	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.01867	8.5
55.05497	12.4
56.50816	3.8
56.76147	4.6
56.96559	8.8
57.07063	15.7
62.06079	8.2
64.93083	4.7
67.05508	20.8
69.03413	8.1
69.07060	19.4
70.06586	9.8
71.08633	6.7
71.59206	6.2
71.59603	4.5
74.87049	4.0
79.05486	23.4
81.07052	28.5
83.04979	12.0
83.08611	10.3
85.06544	5.7
88.07601	6.6
91.05466	27.8
93.07041	35.6
95.04971	74.5
95.08617	20.3
97.06538	14.2
97.10062	4.4
103.30128	4.2
105.07027	34.8
107.04960	5.7
107.08588	28.8
109.06512	14.5
109.10162	16.7
117.07013	14.6
119.08573	29.7
121.06467	12.7
121.10143	10.7
123.08043	6.3
123.11613	4.9
123.25791	4.8
129.06964	7.3
130.07831	6.9
131.08554	14.3
133.10124	14.2
135.08035	14.9
135.11655	8.6
137.09599	5.2
142.07758	13.0
143.08577	20.6
145.06511	4.6
145.10107	27.8
147.08043	9.6
147.11633	6.7
148.42937	4.6
149.02316	17.6
149.09633	6.2
155.08521	11.8
156.09428	8.7
157.10144	30.1
159.08081	8.7
159.11691	16.8
161.09627	10.7
167.08528	5.5
168.09384	6.1
169.10162	13.3
171.11664	29.8
173.09677	5.9
173.13295	6.5
175.11102	4.7
179.08629	5.6
181.10066	9.8
183.11673	15.3
185.13298	10.7
187.11180	10.2
187.14816	6.7
193.04990	33.3
193.10098	15.4
194.10915	5.7
195.11719	14.6
197.13216	16.2
199.11137	7.4
199.14706	4.4
207.11667	11.4
208.12390	7.2
209.13258	16.7
210.64119	9.2
211.14668	7.9
221.13158	6.9
223.14709	21.3
224.65617	7.4
225.16269	11.4
233.13239	6.8
235.15057	5.2
241.15938	8.1
249.16418	7.7
265.19742	4.5
269.15341	8.7
293.76721	4.5
302.17212	6.1
307.20547	14.4
325.21597	100.0
325.26038	67.3
325.29443	7.6
325.76279	20.5
326.21835	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	325.2161
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03932	3.0
55.01847	4.6
55.05510	9.6
56.96557	2.8
57.03418	3.1
57.07062	4.3
59.04992	1.8
65.03931	2.7
66.10483	1.3
67.05503	18.1
69.03424	7.8
69.07067	11.0
69.85241	7.6
70.64371	1.3
71.04979	3.2
71.17522	1.5
79.05489	23.5
81.03431	1.6
81.07056	22.7
83.04969	10.0
83.08614	6.9
85.02888	1.6
85.06532	4.1
91.04958	2.0
91.05482	25.7
93.06482	2.0
93.07050	34.9
95.04970	71.0
95.08603	18.0
97.06528	14.3
97.10170	1.3
98.21476	1.9
103.05443	2.5
104.55772	1.3
105.04451	1.3
105.07030	40.7
107.04942	3.0
107.08593	30.3
109.06519	12.3
109.10150	14.2
111.08046	3.4
113.09632	2.4
115.05423	4.6
116.06242	1.7
116.98641	1.2
117.07016	15.7
119.04868	1.7
119.08585	42.0
121.06506	13.1
121.10154	15.1
123.08039	6.5
123.11668	1.7
125.06039	1.2
125.09597	3.2
128.06206	6.3
129.07002	12.7
130.07780	4.1
131.08562	19.5
133.06456	3.7
133.10138	20.2
134.99603	1.4
135.08055	36.9
135.11649	5.5
136.08376	14.3
137.05977	3.9
137.09610	2.1
139.11145	3.8
141.06985	7.3
142.06749	1.6
142.07774	18.1
143.08557	23.7
144.09329	6.2
145.06462	4.6
145.09038	2.1
145.10121	34.1
147.08052	8.0
147.11612	5.6
149.09592	6.2
149.13176	1.3
153.06920	2.5
154.07742	3.8
155.08575	10.4
156.09337	13.0
157.10129	45.4
158.07242	2.2
158.10869	3.7
159.08102	6.7
159.10466	1.6
159.11694	22.4
161.09604	8.8
161.13208	4.3
163.11130	5.2
165.06956	5.0
166.07747	3.1
167.08598	8.1
168.09308	4.2
169.10147	19.4
170.10783	5.3
171.08061	3.5
171.10271	1.5
171.11685	26.8
172.08788	3.0
172.12279	1.4
173.09630	10.6
173.13240	6.3
175.11139	4.4
175.14920	1.4
179.08565	8.0
179.12669	1.4
180.09326	4.6
181.10100	16.4
181.11723	1.6
182.10858	8.5
183.11693	19.9
184.12373	3.0
185.09581	5.0
185.13257	8.5
187.11185	11.6
187.14819	8.0
189.12685	5.5
191.08566	1.7
191.14249	2.5
192.09332	3.8
193.10110	12.6
194.10866	7.9
195.08118	1.9
195.10054	2.3
195.11694	17.7
196.12402	6.2
197.09573	2.7
197.13280	13.7
198.13773	1.4
199.11179	8.9
199.14769	5.2
200.11816	1.4
201.12750	3.2
203.14394	6.2
204.09538	1.6
205.10133	3.0
205.12082	1.3
205.15862	3.9
206.10881	4.0
207.11713	13.3
208.12523	11.3
209.09706	2.0
209.13246	18.1
210.13974	3.4
211.11147	3.9
211.14780	6.5
212.15573	1.4
213.12703	4.3
213.16344	3.2
215.14351	5.5
217.10126	2.8
217.15883	1.7
218.10748	2.8
219.11676	3.7
220.12340	2.9
221.09572	2.7
221.13268	7.8
222.13977	1.6
223.11169	2.3
223.14796	18.5
224.11971	1.3
224.15199	3.7
225.12851	6.9
225.16373	10.1
227.14236	3.9
233.13177	6.7
233.15297	2.2
234.13884	3.6
234.70847	1.3
235.14775	3.7
237.12796	2.8
237.16458	6.2
238.17047	2.5
239.14265	3.7
239.17833	3.8
241.15688	6.6
245.13202	1.7
245.15367	2.2
247.14767	2.5
249.16373	10.4
251.14224	9.3
252.14914	1.5
255.17500	1.7
256.18216	1.5
259.14694	2.4
263.17926	4.0
264.18750	2.3
265.15860	2.4
265.19449	2.8
267.17477	10.0
269.15393	10.3
271.17056	1.7
277.15762	1.4
279.21060	5.9
281.18906	3.6
283.20505	2.8
289.19391	4.0
297.22253	3.4
307.20560	19.2
325.21536	100.0
325.28900	9.1
326.21936	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	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10546	4.0
55.01864	6.9
55.05500	11.5
56.96568	11.1
57.07058	7.1
65.21457	4.9
67.05513	36.8
69.07061	19.6
79.05495	27.5
80.25005	4.2
81.07064	39.6
83.04955	7.2
83.08610	12.9
91.05497	23.7
93.07038	41.5
95.04976	40.3
95.08627	23.5
97.06516	23.1
105.07033	72.0
106.07355	11.1
107.08595	35.7
109.06506	9.1
109.10140	13.1
116.98621	5.2
117.07010	8.2
119.08564	37.6
121.06484	8.1
121.10138	23.7
125.09641	6.2
128.06247	6.7
129.06995	11.0
131.08560	20.0
133.06467	17.0
133.10132	21.4
134.06830	9.8
135.08051	32.9
135.11678	6.2
136.08388	19.8
137.09610	6.5
139.34804	4.4
140.10931	4.4
141.06909	6.6
142.07767	17.3
143.08536	27.1
145.10126	31.7
147.08003	9.0
147.11694	12.9
155.08554	16.7
156.09331	6.9
157.10080	33.6
159.08055	8.1
159.11682	12.4
161.09618	11.4
161.13132	4.6
165.07047	5.8
167.08525	11.4
167.10747	5.2
168.09320	4.8
169.10126	21.5
170.10854	6.0
171.11736	14.8
173.09720	6.7
173.13237	12.7
179.08580	10.2
180.09299	6.4
181.10103	17.5
182.10921	7.0
183.11667	22.0
185.09596	16.2
185.13277	8.8
187.11211	7.1
187.14812	6.2
193.10094	16.9
195.11707	20.3
197.13252	18.8
199.11156	9.0
199.14850	5.8
206.10837	6.9
207.11673	14.7
208.43669	5.1
209.13187	14.1
211.14799	14.4
213.12781	6.6
215.17937	5.2
218.10829	9.7
220.12347	5.9
221.13266	10.2
222.14108	5.7
223.14793	19.3
225.12767	7.9
227.14262	13.5
233.13242	12.0
233.19041	7.4
237.12775	5.6
237.16437	7.3
239.14264	7.4
247.14850	6.0
251.14330	14.4
255.17558	5.3
263.17926	8.0
269.15469	6.2
280.17944	22.6
297.11682	9.3
302.12390	9.4
302.67609	5.7
307.20575	36.0
320.13406	7.9
325.13922	6.2
325.21573	100.0
325.25381	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	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.01870	9.2
55.05513	21.2
56.64696	3.7
56.96574	4.4
57.03435	7.1
57.07053	6.8
65.03922	6.0
67.05505	42.7
69.07071	22.0
69.34456	13.0
69.34873	29.6
71.04972	8.5
74.07571	3.5
79.05493	37.9
81.03407	6.5
81.07057	50.0
83.04948	6.3
83.08595	9.5
85.06538	9.7
91.05468	40.2
92.05793	4.7
93.07043	47.8
95.04964	49.4
95.08617	25.3
96.36796	3.9
97.06528	100.0
98.97597	6.2
99.04436	4.0
105.07024	55.8
107.04903	4.1
107.08593	32.7
109.06507	17.9
109.10150	34.0
111.08080	7.8
116.98577	4.7
117.06982	11.5
119.04912	3.9
119.08574	37.5
121.06496	12.0
121.10130	23.1
123.08057	5.7
123.11703	6.9
125.09641	3.7
128.06189	5.0
129.07007	15.2
131.08559	22.9
131.60094	3.8
133.10135	40.5
135.08035	9.8
135.11647	5.3
137.09602	5.5
141.06927	4.0
142.07817	18.4
143.08568	22.0
145.10110	35.3
147.07991	8.0
147.11679	12.4
149.09578	6.9
151.11224	9.9
155.08533	15.5
156.09337	7.7
157.10146	31.9
158.10919	6.5
159.08063	11.9
159.11670	14.8
161.09595	14.5
163.07559	4.7
165.06984	6.6
167.08525	9.8
169.10127	17.3
171.11702	11.5
173.09601	8.0
173.13220	6.9
175.11165	4.6
177.09416	4.1
179.08586	11.8
179.49574	3.8
180.09239	5.9
181.10091	20.7
182.10948	7.4
183.11699	20.7
185.09608	16.9
185.13280	5.0
187.14731	3.7
189.12775	6.1
191.14348	4.2
192.09221	5.6
193.10161	12.5
194.10909	9.7
195.11678	21.3
197.13237	20.0
199.11163	5.0
199.14772	10.1
201.12776	7.5
203.08534	4.1
207.11703	15.1
208.12560	9.4
209.13208	13.9
211.14751	13.3
213.12816	5.7
215.14493	4.4
218.10933	5.1
219.11575	5.9
221.13280	13.9
222.13992	5.2
223.11369	4.7
223.14879	18.6
225.12709	8.9
227.14372	8.4
233.13264	9.0
233.15411	7.3
237.16551	8.7
241.15904	7.1
247.14825	6.8
251.14325	14.3
261.18399	6.6
263.17999	10.3
264.18851	4.0
269.15359	6.9
271.16724	7.8
279.21149	7.2
289.17532	19.0
297.22250	6.3
307.20770	39.2
325.21698	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03940	14.4
55.01866	29.5
55.05490	31.0
56.96558	23.5
57.03427	37.5
57.07073	10.7
59.26302	8.1
67.05504	97.8
69.03419	17.6
69.07068	41.1
71.01345	8.1
71.04987	15.1
71.59763	10.9
79.05502	56.5
81.03406	45.8
81.07041	99.8
83.04976	38.6
83.08617	19.1
85.06552	14.1
91.05469	62.3
93.07022	60.2
95.04971	64.3
95.08599	69.0
97.00750	8.3
97.06526	100.0
97.10152	19.4
98.97590	9.5
105.07022	62.4
107.04948	42.5
107.08578	49.8
108.85490	8.0
109.06502	24.9
109.10141	64.3
111.04417	13.6
111.08066	18.9
115.05501	11.9
117.07064	17.4
119.08549	40.0
121.06486	31.1
121.10136	31.1
123.08019	25.3
125.09678	8.6
129.06975	19.8
131.08540	26.4
133.06496	10.5
133.10143	53.1
134.99689	16.9
135.08034	22.2
135.11693	24.2
141.07057	8.9
143.08528	16.1
145.06474	14.1
145.10085	29.3
147.08012	23.7
149.09625	12.8
149.13266	10.5
151.11188	17.5
155.08545	11.0
157.10078	25.0
159.08067	23.7
159.11647	16.4
161.09644	13.8
163.11148	10.4
169.10092	24.6
171.11714	20.5
172.55994	8.5
173.09581	9.0
173.13213	16.4
175.64532	8.6
177.12901	19.4
181.10207	8.9
183.11661	19.6
187.11174	34.6
187.14732	12.1
193.10245	12.2
195.11688	19.8
195.13557	12.4
207.11571	9.9
209.13242	14.4
233.15320	34.1
241.14342	29.5
261.18433	15.8
267.17603	10.8
271.16959	24.8
289.17932	88.4
307.19159	25.2
325.14410	8.3
325.21820	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96551	0.8
57.03433	0.6
57.49112	0.3
61.02914	0.5
67.05958	0.3
69.03417	0.6
70.78378	0.9
71.04989	0.3
73.02919	0.5
74.82853	0.3
84.08131	0.4
85.02890	1.8
85.03987	0.3
91.05479	0.7
97.02892	0.9
98.97546	0.4
112.72420	0.3
118.06544	3.6
123.06666	0.6
127.03915	0.7
133.07629	4.2
145.07603	100.0
146.08417	2.0
147.09169	0.6
150.07715	0.5
152.05655	1.5
153.06483	1.6
163.05029	2.6
163.08662	61.5
164.08978	0.6
171.16176	0.3
193.08350	3.8
197.85336	0.3
211.11636	0.3
225.54138	0.3
239.24773	0.3
325.13937	70.6
326.14288	0.9
327.93140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
56.15694	2.6
56.73399	2.4
58.06576	2.6
59.04874	15.9
60.05645	40.4
62.33103	2.7
65.82950	2.5
69.03455	2.6
69.94288	12.7
70.06594	23.4
72.05634	6.0
72.08153	43.9
73.06412	18.5
79.05515	3.1
86.07192	63.5
87.07968	100.0
88.09950	2.5
95.04977	4.2
97.07629	7.5
98.06064	9.0
98.20796	3.8
100.08743	35.0
101.09521	12.0
101.61950	2.7
111.04454	4.4
112.08720	7.4
114.10294	23.3
115.08715	9.0
115.11129	4.2
116.98645	3.7
119.06879	15.0
121.02881	6.9
123.04397	5.0
127.04016	2.4
128.07057	2.9
129.10275	2.7
129.11340	13.4
130.12166	9.7
131.12924	13.5
133.08481	3.6
134.03647	28.4
135.04434	3.7
137.05971	4.9
138.05531	4.9
139.03889	4.3
149.02345	14.0
151.03938	5.5
157.10866	30.0
158.11630	11.2
162.03043	12.2
163.03903	18.5
167.03336	4.2
177.01859	3.7
184.02780	4.5
190.10619	21.7
192.10228	4.1
195.03008	3.4
197.05864	3.0
202.04005	3.9
205.09856	2.8
231.11327	3.2
232.12079	6.1
233.10425	14.3
234.12410	6.0
248.09207	3.1
250.10075	3.1
265.12167	9.6
266.10303	6.2
274.11853	3.4
275.12570	6.7
279.14566	9.2
283.13223	26.3
292.15277	95.1
293.15564	5.7
301.14331	33.4
307.13846	3.4
308.14911	13.3
325.14804	68.2
343.15524	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01879	1.8
56.96554	0.3
57.03438	2.4
59.04989	0.3
61.02933	1.1
69.03431	14.1
69.03808	0.8
69.69772	2.0
71.01339	0.9
71.04991	5.1
73.02906	0.9
75.04495	0.5
81.03420	15.1
81.07053	0.8
84.08130	0.5
85.02907	0.6
86.54984	0.3
87.04470	0.4
91.05468	1.2
97.02889	0.3
98.03657	0.3
99.04456	6.0
105.07085	0.3
107.08663	0.3
116.04906	0.7
116.98621	0.4
117.05503	1.7
118.06535	5.0
135.04346	0.4
137.05974	0.6
145.07626	5.7
147.09171	8.2
151.07610	0.3
159.09184	0.4
162.07892	1.3
163.03995	0.4
163.07480	0.4
163.08673	1.1
164.13560	0.3
173.07118	11.5
175.07315	0.5
175.08685	6.1
179.07056	0.3
187.08624	0.4
190.07343	0.3
191.08159	100.0
192.08472	1.3
198.39821	0.3
200.05537	0.3
205.09784	0.7
215.11844	0.4
231.11343	0.5
233.09212	1.7
243.11290	0.5
245.09308	0.3
271.10760	0.6
289.11844	2.2
303.71097	0.3
307.12878	29.9
308.12952	0.6
325.13950	22.1
326.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15076	0.7
52.55064	0.6
53.03937	1.7
55.01855	1.9
57.03422	3.1
59.15113	0.7
61.02917	1.7
69.03427	15.1
71.04982	4.9
71.59602	0.9
81.03413	17.1
81.07048	1.2
85.02902	1.1
87.04462	0.8
91.05472	1.7
93.07037	0.8
95.04996	1.3
97.02900	0.8
99.04447	6.7
105.07035	0.8
109.06512	1.3
114.72082	0.6
116.05016	0.9
117.05462	0.9
118.06523	5.4
119.08564	0.7
137.06003	0.8
142.48064	0.7
145.07594	7.7
147.09166	7.5
162.07906	1.2
163.03815	1.1
163.08722	1.3
173.07095	11.9
175.08713	4.5
175.11111	1.6
177.64011	0.7
191.08153	100.0
192.08392	1.8
213.10399	0.7
215.11781	0.7
233.09198	1.4
279.13409	0.9
286.00217	0.9
289.11646	1.6
307.12863	30.7
325.13876	21.7
325.17593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.1
55.01855	0.4
55.97507	0.3
57.03433	1.7
61.02925	0.4
63.02394	0.4
63.77755	0.3
65.23384	0.2
69.03428	7.2
71.01350	0.7
71.04975	1.1
74.66005	0.3
79.05505	1.6
81.03413	3.3
81.07053	0.5
85.02895	4.4
89.03914	6.6
91.05506	0.3
93.07046	0.3
97.02888	14.5
98.20752	0.5
98.97556	0.4
99.04446	0.6
101.02380	0.5
107.04952	3.8
107.08596	0.4
109.02869	0.8
113.09768	0.3
113.75202	0.3
117.03373	8.8
118.68805	0.3
127.03894	1.9
128.98566	0.3
131.56512	0.3
135.04410	19.1
145.02846	14.3
145.03993	0.7
146.03038	0.3
163.03897	100.0
164.04233	2.2
181.04942	3.4
186.05542	0.3
223.26276	0.3
252.07240	0.3
303.97861	0.3
307.08136	2.9
325.09186	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	325.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26181	0.7
55.01870	5.2
55.02992	1.3
57.03438	8.0
61.02916	1.9
62.30418	0.8
67.02995	0.9
69.03427	5.3
69.04552	2.2
70.04054	1.1
70.06557	1.0
71.01362	2.8
71.17135	1.4
73.02907	3.8
81.04546	1.9
82.04041	0.9
82.84908	0.8
82.90916	0.8
84.04517	1.3
84.05161	0.9
84.05631	3.3
84.08131	1.5
85.02908	6.8
87.04474	1.5
94.04046	1.5
96.04490	0.9
96.05620	7.5
97.02882	4.1
97.05101	0.9
98.03548	9.2
99.06677	2.0
106.04034	2.0
108.04398	1.0
108.05595	2.0
109.05147	2.2
110.03538	1.6
110.07199	1.4
111.06717	1.2
112.05096	2.5
113.04610	1.1
115.03926	2.3
121.05117	18.6
122.03508	3.1
123.06704	4.7
124.05087	2.5
124.06023	0.7
125.04603	4.4
125.06982	14.7
126.05381	16.6
126.07793	1.0
127.06158	5.5
132.06453	0.9
133.04996	7.1
136.06186	34.5
137.04575	2.3
138.07762	7.2
139.05080	0.8
139.06157	1.6
140.04449	0.9
143.05612	1.1
148.05003	1.7
148.06180	33.8
149.04588	11.1
150.07707	6.1
151.06152	9.6
151.07254	1.5
152.05688	3.5
153.06454	13.7
153.73213	1.0
154.07257	3.6
160.06207	3.9
164.05653	0.9
165.08849	14.6
166.07253	11.7
167.05685	1.1
175.07268	3.3
176.05682	21.3
177.08862	3.4
178.07245	2.8
184.05475	0.8
190.07237	1.0
191.05511	0.9
193.08342	100.0
194.06866	1.2
195.10094	0.9
235.09412	2.3
259.19043	0.8
266.08911	2.1
289.10535	1.1
291.87128	1.1
297.13120	3.8
307.11441	2.2
325.12564	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	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.73156	0.5
52.20367	0.5
53.03956	0.6
55.05510	6.1
57.03445	0.5
57.07074	1.4
60.04539	0.7
62.06087	100.0
63.06406	0.5
67.05502	15.5
69.07069	6.0
69.40946	4.9
69.68261	0.5
70.02972	1.0
71.08620	0.5
79.05481	4.5
81.07053	16.7
83.08619	3.7
83.67007	0.5
91.05479	3.2
93.07038	3.6
95.08605	12.5
97.06528	0.9
97.10182	1.6
98.06060	0.7
105.07041	1.8
107.08575	2.6
108.57855	0.5
109.10143	4.9
119.08607	1.7
121.10168	1.9
123.11707	2.3
126.46877	0.5
133.10153	1.5
135.08052	0.8
135.11708	1.0
137.13228	0.7
147.11734	1.0
150.36559	0.4
161.13289	1.0
175.14828	0.6
189.16519	0.7
195.17546	0.5
209.11734	1.2
245.22731	1.9
263.23749	0.8
269.13440	0.6
273.44833	0.5
283.90643	0.6
287.05365	0.5
306.27765	2.7
307.26285	3.9
324.28943	12.8
325.23642	1.5
325.29526	1.4
347.00491	0.6
347.08936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.3
58.37277	1.7
62.26778	1.5
69.03433	8.2
69.07059	1.9
70.06584	1.9
71.58325	2.0
71.58726	2.1
72.08153	1.7
78.65738	1.4
79.62543	1.6
80.69862	1.5
81.03441	1.8
84.08160	1.9
85.02900	10.3
87.04433	1.8
87.07956	1.7
93.09865	1.5
95.81963	1.7
97.02882	6.8
98.07698	1.7
98.97559	2.2
99.04379	1.7
106.72467	1.8
116.98653	2.0
123.04441	8.7
127.03944	3.6
136.06203	2.3
145.04958	2.0
145.07600	4.2
163.08742	2.1
181.03487	9.1
186.95891	1.8
194.10416	3.4
197.01141	2.1
199.04608	3.5
205.03433	2.6
221.04903	2.1
223.04491	6.0
256.21680	1.9
259.04623	2.7
289.11765	3.5
307.06580	8.8
325.08942	100.0
325.13660	6.3
326.09406	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	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.28704	0.7
54.34903	0.6
55.01862	1.3
55.05508	2.2
67.05500	5.3
69.07069	10.8
70.78564	1.8
79.05494	4.5
81.07058	7.2
83.04981	3.3
86.09706	100.0
87.10024	1.0
91.05485	9.3
93.07047	13.6
95.04970	2.5
95.08617	2.5
97.06552	1.1
105.07032	15.4
107.04933	1.0
107.08595	3.6
109.06520	11.0
109.10141	1.3
111.08079	4.0
117.07041	1.3
119.08579	5.2
121.06505	0.6
121.10085	0.9
123.08083	1.0
123.11724	1.1
128.10727	5.7
131.08543	4.3
132.10211	32.6
133.06470	0.7
133.10130	16.6
133.11092	1.2
133.14973	0.9
137.06064	0.8
147.11673	12.3
147.12766	0.8
149.09624	1.1
151.07555	2.9
151.11180	41.3
156.10217	0.8
165.12749	1.5
175.11189	4.0
193.12296	4.3
260.20114	5.9
278.21146	29.3
306.20612	5.3
324.21686	15.5
324.28220	1.2
324.93518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
51.10441	0.3
53.03943	0.4
55.05507	6.9
57.03415	0.5
57.07068	1.5
60.04516	0.7
62.06086	100.0
63.06425	0.5
67.05502	16.3
69.07063	6.6
70.02956	0.8
70.09737	1.9
71.08632	1.0
74.16234	0.4
79.05489	4.0
79.26815	0.3
80.66694	0.4
81.07055	16.0
82.07397	0.4
83.04955	0.4
83.08606	3.8
85.06580	0.4
88.04002	0.3
91.05475	2.3
93.07040	4.5
95.04921	0.4
95.08606	15.7
96.08896	0.4
97.06541	1.2
97.10167	2.6
98.06075	0.8
99.08112	0.5
105.07050	1.4
106.78765	0.4
107.08588	2.2
108.44218	0.4
109.10163	5.2
111.08113	0.4
117.14731	0.3
119.08623	1.5
121.10152	2.2
123.11725	2.6
130.08606	0.4
131.13081	0.4
133.10165	1.4
135.11737	1.1
137.13179	0.4
145.10251	0.4
147.11700	1.1
149.13307	0.7
151.14894	0.4
161.13321	1.0
163.14888	0.9
165.16447	0.4
172.13344	0.4
175.14865	0.7
206.27354	0.4
245.22810	1.4
263.23761	1.1
306.27924	3.3
307.26190	3.0
321.33231	0.5
324.28983	11.9
324.32681	0.7
325.27469	0.4
325.29596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07877	1.1
55.05508	18.0
56.96574	1.2
57.07056	1.8
59.58727	1.1
61.38674	1.3
62.06083	2.5
65.03939	2.8
67.05500	100.0
68.05832	1.4
69.03424	1.3
69.07064	11.8
69.30067	7.0
69.30495	5.1
69.96180	1.0
71.05000	6.4
71.05308	1.0
76.08306	1.1
79.05483	13.0
81.07054	48.1
83.04973	2.1
83.08617	6.1
85.06517	3.2
91.05464	7.6
93.07043	8.3
95.04960	1.3
95.08605	29.1
97.06537	3.1
97.10166	3.9
98.21469	2.0
98.97565	2.0
99.08127	1.2
105.07019	6.7
107.08578	7.3
109.06529	1.3
109.10151	99.5
110.10500	2.0
111.08057	2.0
116.98615	2.8
119.08578	8.7
121.10136	3.0
123.08095	1.8
127.07581	1.3
127.11127	1.4
133.10127	6.5
134.99629	1.5
135.11674	2.5
137.13217	2.0
149.13286	1.8
161.13231	8.6
163.06125	1.2
164.92072	1.1
171.21707	1.1
179.14253	3.2
193.06540	2.8
197.09460	1.1
207.18094	1.1
210.75870	1.2
218.11790	1.1
220.75366	1.4
277.00748	2.1
323.18677	1.2
323.25787	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01870	16.9
55.05260	3.0
55.05508	35.5
55.52279	2.3
56.96564	11.4
57.03429	9.2
67.05167	4.5
67.05503	53.7
69.03416	7.4
69.07073	18.6
71.04987	10.7
71.59995	3.4
71.60421	3.2
79.05489	50.4
81.03413	28.8
81.06572	5.5
81.07054	100.0
83.04987	15.0
83.08607	21.6
85.06532	7.6
91.05476	28.5
93.07048	44.2
95.04967	27.8
95.08603	37.1
97.06513	11.9
97.10166	23.2
98.97586	3.0
99.08109	5.0
99.75610	2.3
105.07038	20.7
107.04955	15.8
107.08589	31.3
109.02890	3.3
109.06516	34.1
109.10165	16.0
111.04453	7.9
111.08076	12.2
113.05962	2.9
116.98621	5.2
117.07011	15.7
119.08585	20.5
121.06481	8.0
121.10126	10.4
123.04494	3.2
123.08065	37.5
125.09634	19.2
129.07005	3.9
131.08583	16.4
133.10086	11.7
134.99661	8.6
135.08037	17.3
135.11702	18.9
137.09624	11.4
141.07047	2.8
143.08615	3.0
145.06412	3.1
145.10129	13.0
146.66969	2.8
147.08057	9.0
147.11711	6.0
149.02354	3.3
149.09584	5.3
149.13251	11.5
153.09067	3.4
153.12798	4.9
157.10103	6.3
159.11667	18.8
161.09688	4.7
163.11179	35.9
164.92043	2.5
165.09120	9.1
169.10191	4.4
171.11678	3.1
175.11191	4.1
177.12733	21.7
181.12262	5.7
187.11189	11.6
191.10764	4.8
193.12245	10.7
199.01582	4.0
203.12755	5.3
205.12209	3.0
209.15359	3.2
217.02571	3.6
217.15884	5.9
227.12718	4.2
227.17917	2.5
238.96260	2.3
245.19092	4.1
253.80775	2.5
255.17537	3.4
258.99857	3.8
263.20084	2.9
273.18527	30.3
277.00854	7.6
282.14191	2.8
291.19540	50.5
300.01996	2.5
300.66476	22.1
305.21106	32.9
315.06143	3.3
323.14896	18.9
323.18518	8.2
323.22278	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27221	6.8
53.03947	5.4
55.01857	11.6
55.05508	43.4
57.03440	10.4
67.05502	61.5
69.03427	15.3
69.07063	26.9
69.89741	36.5
75.25570	5.8
79.05489	53.5
81.03423	8.4
81.07063	70.8
83.04974	41.8
83.08608	12.2
85.06564	8.5
91.05486	42.5
93.07045	43.8
95.04981	17.1
95.08620	40.7
97.06537	15.8
97.10178	7.0
98.21444	9.8
105.07032	47.7
107.04949	10.0
107.08611	33.2
109.06522	14.2
109.10148	32.5
110.02648	5.4
111.08094	12.7
117.07027	12.9
119.08585	22.6
121.06515	18.1
121.10141	14.9
123.04477	7.0
123.08099	12.1
129.07011	10.7
131.08574	20.1
133.06485	9.5
133.10124	54.2
135.08086	9.1
135.11694	14.4
139.07550	10.3
143.08559	12.6
145.10144	22.4
147.08047	13.8
147.11700	12.5
149.09615	8.8
151.11183	38.7
157.10196	8.4
159.11633	13.5
161.09610	14.6
163.11209	9.2
171.11719	12.9
176.02127	6.5
179.10722	7.3
183.13852	8.7
185.13254	6.8
189.12808	7.3
203.14314	8.9
205.33003	6.6
245.19037	14.3
263.20071	21.7
273.18436	37.5
291.19543	100.0
323.22412	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02563	9.2
55.01873	18.7
55.05503	56.1
57.03432	11.4
67.05499	76.2
69.03445	9.6
69.07064	40.7
69.85762	43.2
79.05482	60.3
81.07064	100.0
83.04990	43.0
83.08630	20.8
85.06540	10.5
91.05489	55.9
93.07048	91.4
95.04945	13.2
95.08599	52.0
97.10159	8.6
98.97572	8.8
105.07026	53.2
107.08612	56.5
109.06506	14.2
109.10155	59.4
111.04408	11.2
111.08087	19.2
117.06992	10.9
119.08578	25.1
121.06450	19.2
121.10145	24.4
123.08044	12.6
123.11691	22.8
131.08559	24.2
133.06532	14.6
133.10110	92.7
134.99692	11.8
135.08076	23.0
135.11708	12.1
139.07497	21.4
143.08572	11.4
145.10107	20.7
146.28889	8.1
147.11653	10.3
149.09599	15.4
149.13174	8.8
151.11180	92.7
159.11771	10.4
161.09662	18.2
163.11214	10.6
171.11679	9.9
175.11163	13.4
177.09050	21.1
183.13789	28.4
189.12825	12.6
214.44652	9.1
245.18840	13.7
263.20035	19.1
273.18488	47.3
291.19568	94.3
305.21060	19.4
323.22485	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05513	35.2
62.06089	46.7
63.06411	5.8
65.82278	2.4
67.04478	2.1
67.05506	26.0
69.03425	6.5
69.07067	21.5
70.13181	5.8
70.13577	5.9
73.52744	2.2
79.05490	27.0
80.05840	3.2
81.03413	3.7
81.07050	29.0
83.04983	5.5
83.08613	16.7
91.05458	14.6
93.07056	22.5
94.07359	4.2
95.04973	7.1
95.08611	17.2
97.06541	3.7
97.10169	23.7
105.07021	8.0
106.81328	2.5
107.04974	4.2
107.08598	22.4
109.06535	2.7
109.10141	5.5
111.08073	3.6
117.06992	3.4
119.04964	2.3
119.08569	11.1
121.06480	5.1
121.10149	9.3
123.08030	9.2
123.11742	2.9
125.09631	21.5
129.06963	3.6
131.08546	7.3
133.06485	5.4
133.10118	6.9
135.08040	9.2
143.08562	3.0
145.10153	5.2
147.08064	5.7
147.11710	3.1
153.09103	5.2
157.95653	3.0
159.11679	3.1
175.11171	3.3
203.12767	8.4
223.13283	11.9
273.18524	9.1
277.00870	5.8
291.19553	100.0
291.22867	5.3
292.19690	3.4
305.21103	29.2
311.26163	2.6
323.22263	5.6
323.27643	8.0
323.31210	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01864	7.4
55.05502	6.9
56.16500	1.6
57.03434	26.5
65.03928	2.2
67.05507	26.9
69.03427	2.7
69.07062	5.7
69.29050	1.8
69.61936	11.0
71.04999	4.1
79.05494	18.1
81.03425	2.4
81.07056	24.3
83.04970	9.1
83.08601	3.0
85.02899	2.5
85.06548	28.6
88.85822	1.9
90.67645	1.6
91.05476	13.8
93.07053	12.7
95.04965	35.4
95.08615	9.2
96.61447	1.7
97.06527	3.7
98.97598	2.9
105.07017	10.7
107.04964	4.8
107.08606	10.8
109.06520	31.0
109.10170	4.8
111.04436	10.9
111.08089	3.4
113.06009	100.0
116.98664	2.0
117.07013	7.3
119.07732	1.3
119.08574	9.1
121.06510	4.0
121.10130	4.6
123.08031	2.9
125.09613	3.8
129.06979	4.1
131.08568	10.6
133.10124	3.5
134.99651	3.0
135.08043	22.0
135.11658	4.3
143.08553	2.7
145.10095	10.8
147.08069	5.6
149.09612	5.5
153.12741	4.6
157.10150	3.9
159.11752	2.5
161.09618	2.4
163.11180	7.7
171.11734	2.0
173.09634	2.3
173.13245	2.1
175.11247	2.1
177.79091	1.5
181.12225	4.6
187.11069	2.0
191.10719	4.7
199.14828	2.0
217.15865	7.0
219.13795	2.5
227.12790	7.2
227.17921	2.1
249.14757	2.2
273.18460	18.3
277.00955	3.0
291.19543	60.4
304.06604	2.1
305.21161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
53.50595	2.1
55.01874	7.3
55.05510	14.9
56.96566	5.7
57.03436	9.4
57.69913	2.5
65.03925	3.4
67.05507	40.5
69.03432	60.3
69.07069	26.8
70.20223	9.3
71.04993	12.0
73.06557	10.7
79.05488	33.1
81.03416	24.0
81.07055	38.6
83.04984	13.7
83.08611	8.2
85.02925	4.3
85.06535	7.9
86.09681	2.7
91.05476	24.4
93.07043	33.7
95.04980	17.4
95.08607	31.1
97.02898	4.4
97.06542	9.9
97.10152	4.8
98.97607	3.6
99.04449	3.4
99.08095	100.0
105.07028	33.2
107.04938	6.4
107.08591	21.1
109.02869	7.1
109.06521	26.5
109.10148	15.6
111.08099	8.3
113.05975	6.0
116.98627	8.8
117.07007	10.7
119.02082	2.4
119.08586	22.1
121.06530	8.3
121.10184	13.9
123.04430	2.9
123.08074	9.4
123.11716	3.9
125.09605	4.8
127.03919	7.7
127.07553	3.9
129.07008	5.4
129.34276	2.4
131.08580	14.9
133.06493	4.7
133.10150	10.1
134.99655	10.7
135.08031	15.9
135.11717	10.0
137.00372	2.5
137.09676	3.4
141.09096	2.3
143.08582	9.5
145.06544	3.0
145.10150	17.0
147.08043	8.2
147.11711	6.3
149.09615	7.3
149.13301	2.6
151.07587	11.9
155.08575	4.7
157.10158	6.8
159.08020	2.9
159.11674	7.2
161.09616	8.5
161.13286	7.2
163.11137	3.5
164.92020	2.3
165.07050	2.9
165.65860	2.4
169.10066	4.4
171.11736	5.1
173.11774	4.1
173.13220	5.1
175.11244	5.4
182.21661	2.4
185.13177	3.7
189.12669	3.4
191.14392	3.0
195.11897	2.7
195.13673	3.0
207.13742	2.6
209.15236	3.6
217.15909	6.5
219.13802	6.6
235.16905	3.3
237.14911	9.4
255.17496	4.4
258.99719	2.6
273.15784	4.2
273.18427	17.9
275.20169	2.8
277.00781	5.3
277.18192	2.4
287.16229	4.5
291.19583	16.1
305.17401	9.0
305.21115	13.1
305.24252	2.3
323.14838	6.0
323.18478	49.2
323.22339	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	323.2215
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
55.01864	5.4
55.05295	3.0
55.05510	32.7
57.03423	11.9
59.57047	2.9
67.05498	17.1
69.03426	6.3
69.07079	15.1
69.88537	2.6
70.58636	2.6
71.60206	6.0
73.60274	2.7
79.05479	26.0
81.03398	6.5
81.07047	24.2
81.74818	2.7
83.08612	15.2
91.05486	17.6
93.07050	19.9
95.04965	10.5
95.08606	18.1
97.02911	3.4
97.06505	4.5
97.10165	23.7
105.07024	16.6
107.04948	5.4
107.08576	19.6
109.06525	7.3
109.10141	9.5
119.08578	12.2
121.06514	4.3
121.10110	6.4
123.04433	2.7
123.08073	12.8
125.09618	21.8
127.07571	4.4
129.06998	4.6
131.08545	9.4
133.06474	3.2
133.10173	5.5
134.35439	2.8
135.08011	8.7
137.09595	4.9
145.10121	6.6
147.08046	3.5
147.11673	5.0
149.13200	2.8
153.09152	7.8
157.10156	3.3
161.09579	5.0
163.11203	3.7
171.11650	4.2
175.62093	2.9
177.12900	2.9
193.12299	4.4
199.14755	3.2
203.12811	11.5
211.14760	3.2
213.18604	3.2
223.13243	6.8
225.14667	2.9
273.18433	15.5
291.19525	100.0
305.21103	26.4
323.22131	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	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21200	1.8
53.03944	6.7
53.85434	1.7
55.01861	5.7
55.05515	15.2
56.96561	4.4
57.03435	3.8
57.07086	2.5
59.05007	1.9
61.02986	1.6
64.71380	1.6
65.03963	1.8
67.05508	33.2
69.03430	79.3
69.03813	4.1
69.07069	18.7
71.05004	9.7
71.59966	2.0
73.02906	1.7
79.05492	30.3
79.81517	1.8
81.03425	33.4
81.07055	58.4
83.04984	8.0
83.08605	9.0
85.02892	4.5
85.06541	4.4
86.09724	1.6
91.05480	21.3
93.07047	24.2
95.01348	2.2
95.04966	13.1
95.08607	46.1
97.02897	26.6
97.06541	11.8
97.10164	3.3
98.97574	4.3
99.04443	5.5
99.08083	2.9
101.05969	2.2
105.07033	21.2
107.04961	5.0
107.08586	17.0
108.02087	4.8
109.02882	28.5
109.06528	9.1
109.10164	15.5
111.04436	4.4
111.08073	4.9
113.05978	1.7
113.09686	2.1
115.05496	2.3
116.98646	6.1
117.07011	6.7
119.04974	2.8
119.08585	18.1
121.06489	6.0
121.10151	9.4
123.04429	1.9
123.08047	7.1
123.11699	4.0
125.09632	3.0
127.03919	27.7
129.05556	1.9
129.07001	5.4
131.08592	10.4
133.10101	10.3
134.99734	4.2
135.04439	3.4
135.08052	7.9
135.11710	5.1
137.09583	2.2
137.13254	3.9
143.08542	4.5
145.06462	2.9
145.10115	7.8
147.08035	2.7
147.11694	6.2
149.02347	5.2
149.05986	2.0
149.09644	2.6
149.13268	4.6
151.03897	6.1
151.07530	9.1
151.11340	1.9
153.05536	2.3
155.08505	2.6
159.08060	2.7
159.11711	4.8
161.13263	12.7
162.03162	4.1
163.03813	2.4
163.07588	2.2
163.14882	1.9
165.09123	3.2
171.11710	3.6
173.11821	2.3
173.13254	4.9
177.00673	2.1
177.12715	2.6
179.03394	48.4
179.04900	3.3
179.14302	4.4
180.03680	1.9
183.11690	3.2
187.14859	1.9
189.09094	2.5
190.02641	4.2
194.02141	5.3
200.28525	1.8
201.16339	2.5
207.02905	32.7
207.04718	3.4
207.13998	2.6
208.03664	1.9
209.04440	25.9
219.13725	2.5
231.21509	5.8
237.14825	5.4
262.13321	2.3
263.16516	2.5
269.15463	1.9
277.17938	3.7
284.14227	1.9
287.16321	8.2
301.07278	2.2
305.10208	68.3
305.17398	11.4
306.10794	4.1
323.11267	100.0
323.14627	8.1
323.18277	34.2
323.26089	17.1
324.11517	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1853
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	3.7
55.05511	12.3
56.96554	1.8
57.03429	1.8
65.03935	1.5
67.05171	1.2
67.05505	19.0
69.03429	100.0
69.07064	5.8
69.90053	5.2
70.03748	1.3
71.01345	2.3
71.05001	5.8
71.67857	0.8
72.28815	1.1
79.05492	18.8
81.03418	40.2
81.07055	27.5
83.04978	15.7
83.08614	4.8
85.02906	4.9
85.06503	2.4
91.04957	1.5
91.05482	17.1
93.07047	19.3
95.01331	2.5
95.04982	10.4
95.08606	20.5
97.02883	5.6
97.06522	9.0
97.10160	3.3
98.97576	1.0
99.04441	4.5
99.08067	1.7
103.05479	1.1
105.07037	14.8
107.04943	5.1
107.08595	10.9
109.02887	8.2
109.06532	9.4
109.10139	9.9
110.03688	1.3
111.04420	4.6
111.08055	2.1
113.06049	1.8
113.09743	1.1
115.05440	1.5
117.06989	6.5
119.04917	0.9
119.08577	12.6
121.06511	8.1
121.10179	6.0
123.04414	2.7
123.08076	5.4
123.11696	1.3
125.02338	1.6
125.05977	1.6
125.09618	3.0
127.03918	9.1
128.06274	1.0
129.05382	1.1
129.07001	3.2
131.08578	9.1
133.06485	3.8
133.10132	6.2
134.15985	0.9
134.99768	1.1
135.08075	8.3
135.11708	2.7
137.05956	3.7
137.09595	3.2
139.07481	1.2
141.06982	1.3
142.07739	1.1
143.08530	4.0
145.06473	2.2
145.10121	6.1
147.04425	1.6
147.08051	3.5
147.11685	5.3
149.05991	2.2
149.09627	2.3
149.13243	2.2
151.07539	22.6
151.08792	1.3
153.09094	1.5
155.08546	2.5
157.10114	5.0
159.08052	2.0
159.11707	4.1
161.05994	2.4
161.09662	1.3
161.13255	5.0
163.07555	2.1
165.09273	1.0
171.08052	1.7
171.11681	3.4
173.09575	2.0
173.11740	3.7
173.13287	5.4
175.07576	1.5
177.09195	1.9
177.12727	1.9
179.14331	2.6
181.10124	1.3
183.11684	1.5
185.13254	1.7
189.09148	1.5
189.12778	2.2
191.14328	3.0
195.11702	1.1
195.13760	1.3
199.07535	1.6
201.12738	3.0
203.08569	1.8
203.14380	1.1
207.13800	2.9
209.15414	7.2
209.92317	1.2
219.13824	6.6
225.14905	2.8
231.08214	2.2
233.15468	1.2
237.14848	22.0
248.08441	2.1
255.15802	1.5
259.07523	1.1
259.16962	1.6
263.10684	1.2
263.16461	3.2
269.15317	1.9
276.07941	1.2
277.18097	3.0
287.16541	5.7
291.10254	6.1
305.17441	12.3
308.10556	1.4
323.12970	7.4
323.18524	86.1
324.18945	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1851
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03953	4.2
55.01860	4.2
55.05509	13.1
55.80931	0.9
56.96563	1.4
57.03428	2.3
57.07061	0.8
63.18454	0.9
64.33688	0.8
65.03941	1.4
67.05500	20.4
69.03427	100.0
69.07061	7.8
70.03767	1.0
70.25886	2.9
71.01339	1.7
71.04984	5.9
79.05488	19.2
81.03414	35.3
81.07056	25.2
83.04970	15.4
83.08603	6.0
85.02901	3.4
85.06525	3.1
91.05481	15.4
93.07043	17.2
95.01325	2.4
95.04975	9.2
95.08604	18.6
95.09142	0.6
97.02887	5.3
97.06512	11.1
97.10152	3.1
99.04451	3.4
99.08081	2.4
105.07030	13.4
107.04955	3.9
107.08585	9.0
109.02872	10.6
109.06510	9.8
109.10168	6.6
109.87994	1.0
111.04436	3.9
111.08100	3.5
113.05984	1.8
116.49617	0.9
117.07004	7.5
119.08575	9.9
121.06492	7.9
121.10159	4.9
123.04411	2.9
123.08080	4.8
123.11671	1.1
125.02329	1.2
125.05991	1.6
125.09612	2.2
127.03940	8.7
128.06232	1.2
128.86932	0.9
129.07014	4.2
131.08569	10.1
133.06487	2.7
133.10117	5.4
135.04356	1.0
135.08043	7.6
135.11671	2.7
137.05989	1.1
137.09586	2.1
137.13208	1.3
139.11205	1.2
141.06963	1.4
143.08551	2.1
145.06541	1.1
145.10103	5.1
147.08066	2.0
147.11653	4.7
149.05983	2.3
149.09630	1.8
149.13223	2.6
151.06418	1.5
151.07547	19.3
155.08557	2.4
157.10085	3.3
159.08064	1.1
159.11685	4.9
161.09608	2.3
161.13220	5.4
163.07547	1.1
163.11119	1.3
171.08087	1.0
171.11685	3.2
173.09636	2.1
173.11726	3.9
173.13271	4.3
175.07634	1.1
175.11235	1.3
175.14845	1.1
177.09052	1.1
177.12746	2.4
179.03383	3.0
179.14340	1.9
183.11703	2.3
188.35703	1.1
189.11218	1.4
189.12788	2.4
191.14330	3.7
194.10960	0.9
195.13788	1.9
201.12721	3.0
203.14259	0.9
206.06149	1.0
207.02910	2.3
207.13834	3.0
209.04483	2.4
209.15268	7.9
215.14368	1.1
219.13795	6.9
225.14902	3.8
235.16901	2.3
237.14838	22.1
237.17209	1.5
251.16348	1.0
259.16956	1.4
263.16388	3.9
269.15555	1.1
277.17889	4.7
287.16388	5.9
287.96799	0.9
305.10120	5.7
305.17493	13.4
306.17960	1.0
323.11453	9.5
323.18518	86.5
324.18893	3.5
339.76825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01872	3.7
55.05251	1.0
55.05510	10.9
56.96564	1.7
57.03431	2.1
57.07085	1.2
59.04987	0.6
65.03947	1.4
67.05503	22.7
68.99786	0.6
69.03428	100.0
69.07064	9.7
69.83067	2.9
70.03754	0.7
71.01353	1.5
71.04989	5.6
73.02888	0.6
79.05493	21.4
81.03416	39.9
81.07055	32.1
82.04201	0.7
83.04476	1.0
83.04978	19.6
83.08618	6.4
85.02896	3.6
85.06544	2.8
87.04473	1.0
91.05478	18.5
93.03403	0.7
93.07046	20.1
95.01331	1.9
95.04369	0.7
95.04972	13.5
95.08601	20.7
97.02890	7.5
97.06524	11.8
97.10165	3.8
98.97612	1.5
99.04450	3.2
99.08094	2.4
99.40321	0.6
101.06013	0.9
103.05491	0.7
105.07031	14.6
107.04936	5.3
107.08587	10.5
108.02087	1.2
109.02876	12.8
109.03578	1.0
109.06522	10.1
109.10150	8.4
110.03678	1.5
111.04434	5.4
111.08046	2.9
113.06004	1.0
115.03943	0.9
115.05453	1.5
116.98639	1.3
117.07027	7.5
119.04984	1.3
119.07779	1.0
119.08581	12.2
121.06492	7.7
121.10131	5.2
123.04447	3.8
123.08050	5.4
123.11703	1.2
125.02367	1.6
125.05992	1.9
125.09628	2.6
127.03914	10.1
127.07544	0.6
129.07019	3.0
131.00157	0.7
131.08556	9.7
131.09506	0.8
133.06494	4.1
133.09192	1.0
133.10126	7.6
134.99675	0.6
135.04469	0.9
135.08041	6.4
135.11676	4.1
137.05984	1.9
137.09624	2.4
137.13292	0.7
139.07574	0.8
141.06970	1.0
142.07761	0.9
143.08577	3.1
145.06499	1.2
145.10109	4.7
147.04469	0.6
147.08096	4.1
147.11679	4.7
149.01248	1.2
149.02365	2.3
149.05977	2.7
149.09650	3.0
149.13274	3.1
151.03905	2.2
151.07544	22.1
151.11140	0.5
153.05475	1.4
153.09164	0.9
155.08563	1.7
156.09222	0.8
157.06488	0.8
157.10150	3.7
159.08014	2.5
159.10318	1.0
159.11703	3.6
161.06041	1.0
161.09612	2.3
161.13254	4.8
162.03107	0.9
163.03897	0.8
163.07576	1.5
163.11198	1.6
163.14813	1.1
165.09055	0.7
165.12666	0.8
167.77682	0.5
168.09337	0.7
169.10011	1.0
171.08064	1.3
171.11649	3.9
173.09692	1.7
173.11723	4.0
173.13261	5.1
175.07581	1.4
175.11211	1.7
175.14870	0.9
177.09123	1.1
177.12773	2.5
179.03404	15.5
179.14302	2.1
183.11673	2.1
185.09586	0.8
185.13289	1.1
187.15018	0.6
189.09175	0.9
189.11211	0.6
189.12769	1.6
190.02588	1.3
191.14334	3.4
193.12218	1.2
194.02141	2.2
195.11774	0.8
195.13853	1.5
197.13336	1.0
199.14828	0.6
201.12758	2.6
207.02881	8.8
207.13739	3.7
208.03513	0.8
209.04446	8.2
209.15355	7.7
215.14326	0.8
217.12210	0.7
219.13759	6.7
223.14920	0.6
225.14795	3.1
233.15451	1.2
235.13307	0.6
235.16956	1.2
237.14842	24.9
241.15906	1.2
243.08907	1.4
245.15347	1.0
249.15100	0.9
251.14386	0.7
251.16635	0.9
255.15904	0.8
259.16977	1.5
261.14941	1.0
263.16434	4.3
269.15286	1.5
275.16428	1.1
277.17990	3.8
287.16379	6.2
293.17703	0.7
305.10199	23.2
305.17462	13.4
305.24643	0.6
306.10513	2.3
323.11273	31.2
323.18506	89.7
324.11484	3.8
324.18729	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01870	3.3
55.05297	1.1
55.05513	10.6
56.96552	1.3
57.03422	1.8
57.07070	1.1
61.77177	0.9
65.03943	1.0
65.40789	0.8
67.05505	21.6
68.99757	0.9
69.03430	100.0
69.07066	5.9
69.73257	6.0
70.74412	0.9
71.01353	1.3
71.04993	5.0
72.08172	0.9
74.43633	0.9
79.05495	17.5
81.03419	36.9
81.07056	28.3
82.48990	0.9
83.04986	16.1
83.08621	5.8
85.02886	2.8
85.06538	3.3
90.96861	1.0
91.05485	15.5
93.07042	19.0
95.01290	1.6
95.04552	0.8
95.04984	9.3
95.08611	18.8
97.02884	5.5
97.06534	8.9
97.10148	2.7
99.04446	3.6
99.08073	1.5
103.05492	1.6
105.07034	15.2
107.04944	5.8
107.08590	10.5
109.02878	7.7
109.06516	9.4
109.10146	11.3
111.04444	4.3
111.08090	5.1
116.98637	1.5
117.07019	6.9
119.04934	1.2
119.08592	10.9
121.06490	5.7
121.10155	5.9
123.04410	1.3
123.08068	5.7
123.11720	1.4
125.02371	1.2
125.09608	2.7
127.03918	9.7
127.07590	1.1
128.06236	1.5
129.06996	3.6
131.08583	8.3
133.06471	4.0
133.10126	5.5
135.08058	5.5
135.11696	3.8
137.05965	3.4
137.09662	2.2
139.07524	1.7
141.06979	1.2
141.43790	0.9
143.08562	2.8
145.06485	2.9
145.10150	5.5
147.08047	2.8
147.11710	5.2
149.05980	3.2
149.09641	1.9
149.13271	2.2
151.07535	21.6
155.08545	2.3
157.10120	3.9
159.08104	2.3
159.11674	4.6
161.05965	2.5
161.09578	1.3
161.13246	4.0
163.07550	2.4
163.11186	1.1
169.10103	1.4
171.11679	3.4
173.11745	2.9
173.13261	4.8
175.07530	1.7
175.11189	1.5
175.14815	1.6
176.96957	1.3
177.00938	1.1
177.12753	2.4
179.14348	2.0
183.11716	1.7
185.13301	1.2
189.12697	1.9
191.14352	3.3
195.13731	2.2
197.13281	1.3
199.07591	1.1
199.11232	0.9
201.12706	2.0
203.08476	2.8
203.14351	1.1
206.13272	1.1
207.13791	3.0
209.15392	6.1
215.14267	1.1
219.13733	5.6
220.08766	1.2
221.15315	1.3
225.14812	3.9
231.08032	1.8
235.16896	1.5
237.14867	23.6
245.15442	1.2
248.08351	2.2
249.14880	1.4
258.07117	1.0
259.07797	1.4
259.16983	2.1
263.10666	2.6
263.16437	3.7
276.07901	3.0
277.17935	4.1
279.06589	1.0
287.16476	5.8
291.10278	6.4
291.12881	1.1
292.10757	1.3
293.17294	1.0
294.08347	0.9
295.09613	1.1
305.17468	14.0
305.24921	1.1
306.17825	1.4
308.10217	1.4
323.12869	7.6
323.18494	88.6
323.26315	4.6
324.18707	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	323.1852
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03944	2.9
55.01870	3.9
55.05506	10.8
57.03429	1.8
57.07075	1.1
59.05000	0.6
65.03944	1.2
67.05502	19.2
68.99790	1.0
69.03426	100.0
69.07062	6.4
69.83118	3.0
69.83532	1.0
70.03766	1.1
71.01341	1.5
71.04993	4.7
79.05488	17.3
81.03413	37.5
81.07054	24.3
83.04977	17.4
83.08611	4.7
85.02911	2.5
85.06549	2.0
91.05478	14.8
93.07040	18.5
93.07624	1.0
95.01336	1.6
95.04964	10.6
95.08604	17.2
97.02901	5.0
97.06531	10.5
97.10163	3.4
99.04464	3.8
99.08060	0.7
100.98771	0.6
103.05439	1.5
105.07032	12.5
105.29105	0.6
107.04958	4.1
107.07880	0.7
107.08594	10.5
109.02881	7.9
109.06519	9.2
109.10146	6.8
110.03666	0.9
111.04432	4.5
111.08068	3.4
113.06002	0.8
115.03860	0.9
115.05424	1.1
117.07020	6.7
119.05016	0.6
119.08585	8.8
121.06499	6.5
121.10130	4.9
123.04430	2.9
123.08049	4.7
123.11703	0.8
125.02370	1.2
125.05967	1.2
125.09631	3.3
125.10402	0.6
127.03908	7.0
128.06238	1.1
129.06975	3.5
131.04955	0.7
131.08569	8.8
133.06506	3.6
133.10133	5.8
135.08044	7.2
135.11702	2.7
137.05963	1.6
137.09624	2.1
141.07030	0.9
142.13289	0.6
143.07512	0.5
143.08521	3.5
145.06496	1.7
145.10104	5.7
147.08055	3.4
147.11673	3.6
149.05966	3.0
149.09618	2.0
149.13286	2.0
151.07538	22.8
155.08539	2.3
155.10719	0.8
157.10178	2.6
159.08054	2.1
159.10387	1.0
159.11697	3.4
161.05988	0.7
161.09610	1.4
161.13301	3.9
163.07564	2.0
163.11214	1.5
163.14764	0.8
165.12788	0.7
167.08511	0.8
169.10095	0.7
171.08118	0.6
171.11728	2.3
173.09631	1.6
173.11726	3.5
173.13260	4.3
175.07555	1.0
175.11194	1.7
175.14824	1.1
177.09070	0.6
177.12727	2.6
179.14339	2.2
183.11671	1.9
185.09659	0.9
185.13254	1.5
187.14697	0.8
189.09140	0.9
189.11174	0.6
189.12772	1.9
191.14297	3.9
193.12201	0.8
195.11848	0.6
195.13824	1.6
199.14693	0.8
201.12778	2.9
205.12335	0.6
207.13789	2.7
209.15343	6.3
215.14307	0.7
219.13811	6.0
221.11572	0.8
221.15340	0.8
223.13095	0.7
225.14749	3.7
233.15437	0.7
235.16858	1.5
237.14828	23.2
238.15166	0.8
245.15356	1.1
249.14856	1.0
253.18111	0.7
255.16042	0.9
259.16931	1.5
261.14853	1.0
263.16367	4.0
269.15442	1.4
275.16324	1.0
276.95178	0.6
277.17999	3.4
287.16373	4.5
293.17505	1.1
305.14154	1.2
305.17429	12.4
323.18488	85.3
324.18805	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	323.1853
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03929	5.9
55.01862	5.2
55.05512	18.6
56.96553	2.3
57.03425	4.1
57.07062	2.7
65.03928	3.5
67.05508	34.2
69.03431	100.0
69.07072	21.5
71.01369	2.3
71.04976	6.7
72.57892	1.6
73.06541	2.5
79.05489	32.5
81.02983	3.2
81.03420	44.6
81.07059	38.8
83.04979	20.4
83.08599	5.4
85.02880	3.3
85.06536	4.0
90.66502	1.8
91.05480	30.3
93.06537	3.2
93.07050	32.0
95.01339	2.4
95.04968	16.7
95.08600	27.2
95.42066	1.9
97.02876	7.7
97.06512	11.2
97.10125	4.1
98.20718	6.0
98.97579	3.5
99.04472	4.7
99.07465	3.8
99.08092	44.6
104.06282	1.9
105.07039	25.1
107.04948	7.5
107.08602	19.1
109.02887	16.8
109.06523	18.4
109.10150	12.7
110.03715	2.2
111.04428	4.9
111.08080	5.6
113.06001	3.2
115.05455	5.0
116.98602	3.8
117.07049	10.0
119.08581	19.3
121.06527	12.1
121.10128	9.6
123.04394	3.3
123.08051	9.1
125.09586	4.8
127.03913	15.4
127.07603	2.4
129.06990	6.4
131.08557	14.7
133.06491	4.7
133.10138	11.9
134.99585	3.8
135.08057	13.7
135.11685	6.5
137.05927	4.2
137.09634	3.6
143.08569	4.9
145.10123	9.2
147.08043	5.3
147.11667	7.5
149.06006	3.8
149.09621	5.4
149.13242	2.5
151.07579	20.2
155.08537	3.1
157.10152	4.8
159.11668	5.7
161.09650	5.9
161.13269	5.6
163.07555	3.0
171.11673	4.1
173.11732	5.3
173.13232	4.3
175.11157	4.7
177.09015	2.5
179.10773	2.2
183.11752	2.5
189.09189	3.2
189.12712	4.8
191.14310	4.4
198.98891	3.3
201.12738	4.3
203.14323	2.2
207.13705	3.6
209.15372	8.2
215.14429	2.2
217.15872	2.2
219.13820	7.0
225.14795	3.5
237.14810	18.5
241.15944	2.3
245.15483	2.8
258.99811	4.0
259.16968	3.1
263.16345	5.6
269.15302	2.3
273.18472	11.0
277.00745	7.6
277.17950	6.2
287.16452	7.8
291.19431	7.4
305.17444	17.3
305.21005	5.2
323.15015	3.3
323.18533	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1852
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03937	4.0
55.01860	3.7
55.05506	10.8
56.96562	1.3
57.03416	1.3
59.04998	1.0
65.03921	1.5
67.05165	2.1
67.05503	21.7
69.03429	100.0
69.07065	6.8
71.04989	4.5
71.59885	2.2
78.00000	1.0
78.75750	1.0
79.05492	16.0
81.03419	32.5
81.07058	25.5
81.59607	1.0
83.04986	15.1
83.08611	7.7
85.02905	3.7
85.06538	2.0
86.33274	1.1
91.04962	1.4
91.05482	15.9
93.07038	16.5
94.69985	1.1
95.04971	11.2
95.08604	21.1
97.02889	4.3
97.06528	8.9
97.10156	2.7
98.97585	1.5
99.04443	3.7
99.08056	1.3
105.07043	13.3
107.04958	4.3
107.08599	8.0
109.02882	6.8
109.06514	9.7
109.10165	7.5
111.04436	4.2
111.08090	2.1
113.06029	2.1
116.98607	2.3
117.07003	6.1
119.08596	10.4
121.06529	6.6
121.10143	3.7
123.04487	1.5
123.08055	4.9
125.02375	1.7
125.05980	1.2
125.09642	3.1
127.03896	5.8
128.06250	1.9
129.07048	1.5
131.08572	9.0
133.06459	3.4
133.10103	6.1
134.99622	2.5
135.08060	6.8
135.11694	3.1
137.05977	2.1
137.09644	2.0
142.07803	1.3
143.08519	2.1
145.10126	5.4
147.08028	3.4
147.11661	3.7
149.05966	2.0
149.09569	2.7
149.13261	1.9
151.07544	23.6
155.08499	2.8
157.10124	2.6
159.11684	6.6
161.06029	1.4
161.09587	2.5
161.13210	4.0
163.07529	2.2
163.11195	2.2
164.92046	1.1
171.11719	4.1
173.11734	4.4
173.13239	3.3
175.07472	1.7
175.11203	1.7
177.12781	3.6
180.97865	1.3
183.11713	2.6
191.14326	2.9
199.11244	1.2
201.12810	1.3
207.13776	3.3
209.04419	1.3
209.15366	7.4
219.13741	7.3
225.14867	4.7
237.14825	22.4
255.16020	1.5
263.16394	2.7
269.15271	1.3
277.00815	1.9
277.17896	2.6
287.16464	4.7
305.17474	11.7
323.18521	88.9
324.18927	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	323.185
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03930	4.6
55.01855	5.9
55.05504	12.8
56.96565	5.0
57.03406	2.4
58.48130	1.9
66.66749	1.9
67.05225	2.3
67.05502	24.2
69.03427	92.2
69.07042	7.5
71.04975	6.3
71.21177	2.7
71.21513	3.6
75.08308	2.4
79.05501	28.5
81.02972	3.4
81.03413	43.7
81.07052	31.3
83.04979	17.6
83.08593	6.7
85.02875	3.1
85.06490	3.9
91.05479	18.1
93.07033	20.1
95.04976	16.2
95.08593	22.4
97.02875	5.8
97.06528	13.7
97.10155	3.4
98.97542	3.1
99.04417	2.6
103.05462	16.2
105.07011	21.6
107.04959	12.8
107.08601	10.8
108.02090	2.1
109.02859	9.0
109.06518	16.7
109.10132	13.0
111.04397	4.8
111.08044	2.9
116.98568	5.6
117.07011	8.1
118.06541	3.2
119.08559	14.5
121.06483	9.0
121.10102	7.2
123.04410	6.1
123.08039	6.7
125.09592	4.1
127.03879	8.4
129.06999	2.7
131.04897	3.0
131.08548	9.4
133.06459	4.0
133.10103	8.5
134.99673	2.3
135.08032	8.4
137.09592	4.0
143.08556	4.8
145.10065	7.8
147.08047	4.7
147.11694	5.9
149.02289	2.8
149.05994	5.2
149.09686	3.0
149.13234	4.9
151.03891	5.2
151.07520	19.2
157.10115	4.4
159.11646	6.0
161.13268	5.0
163.03883	2.9
171.11707	3.4
173.11737	4.5
173.13191	4.0
176.14363	11.4
179.03371	25.5
179.10582	2.4
180.63985	2.7
185.09682	2.3
189.12770	2.9
191.14235	3.6
194.02071	3.2
201.12770	3.6
207.02904	12.0
209.04427	14.4
209.15353	5.9
219.13853	5.8
225.14771	2.4
230.69730	2.4
233.00655	2.0
237.14778	25.0
259.17169	2.4
263.16425	4.0
277.00748	4.2
277.17953	3.4
287.16458	6.9
301.07056	3.3
305.10257	35.0
305.17416	18.5
323.11264	58.0
323.18457	100.0
324.11792	2.8
324.19513	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	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57625	4.0
56.96558	7.8
61.02929	6.1
63.90596	3.6
69.03429	21.9
69.07047	4.7
70.06583	15.2
70.94157	6.4
70.94495	9.3
72.08143	7.6
72.74033	3.6
74.06056	4.8
81.03409	8.6
81.07038	3.9
84.04492	10.6
84.08144	20.2
85.02894	32.6
86.09683	20.0
96.19525	4.1
97.02864	17.9
98.97608	6.8
99.04459	4.1
110.07114	4.8
111.57771	4.1
120.08112	4.9
121.02869	5.3
123.04431	6.4
125.05949	4.7
127.03932	8.1
129.10240	6.9
130.95015	3.6
131.04924	5.8
136.06288	4.3
137.77393	3.8
147.04395	8.2
161.02101	65.7
163.03941	8.8
165.06970	4.9
172.74857	4.0
185.04218	97.3
197.03075	5.4
203.05258	23.8
203.08559	7.2
215.47835	3.7
221.05983	9.9
231.07976	5.7
237.02785	4.0
239.03957	5.9
248.08345	6.0
249.05519	11.1
251.03899	5.4
267.06516	4.8
276.07904	4.2
291.10135	6.8
295.05978	9.6
305.05948	4.7
323.07547	100.0
323.12927	12.6
324.07706	5.7
341.06693	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	323.1854
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03949	4.2
55.01864	4.2
55.05507	12.9
56.96553	0.9
57.03436	2.8
57.07079	0.5
59.05017	0.6
65.03942	1.8
67.01871	0.6
67.05505	23.7
69.03428	100.0
69.07069	7.2
70.03773	0.9
71.01344	2.4
71.04992	5.9
73.02911	0.6
79.05490	20.7
81.03414	41.8
81.07053	29.2
82.03741	0.8
82.04190	0.8
82.92462	0.5
83.04980	17.1
83.08614	5.5
84.05350	0.7
85.02921	4.0
85.06564	2.6
86.40411	0.4
87.04449	0.9
91.05481	18.3
92.05833	0.6
93.07041	19.7
94.07360	0.6
95.01333	1.8
95.04966	10.9
95.08607	21.2
96.08948	0.6
97.02892	6.0
97.06530	9.2
97.10160	3.5
97.54752	0.5
98.97564	1.1
99.04446	3.7
99.08112	1.0
101.05972	0.7
103.05470	1.5
105.07025	16.5
105.57739	0.6
107.04951	4.7
107.08595	10.1
109.02878	13.3
109.06518	11.7
109.10156	6.7
110.03667	1.8
111.04443	4.9
111.08082	2.7
113.06002	1.0
115.05479	1.6
116.98631	1.3
117.07013	7.9
119.04882	0.7
119.08581	11.3
121.06499	7.0
121.10135	6.1
123.04403	3.1
123.08064	5.5
123.11707	0.6
125.02348	1.7
125.06017	1.3
125.09641	2.1
127.03911	10.3
127.04815	1.0
128.06230	1.3
129.05469	0.7
129.07016	3.8
130.07835	0.8
131.08557	10.5
133.06487	4.2
133.10132	6.0
134.99608	0.7
135.08046	8.8
135.11673	3.6
137.05997	1.9
137.09636	2.8
139.03893	0.7
139.07533	0.8
139.11107	0.7
141.06998	1.3
142.07774	0.6
143.08549	3.8
145.06485	2.1
145.10091	5.7
147.08043	3.5
147.11671	4.2
149.05986	2.6
149.09622	2.8
149.13219	2.5
151.07535	20.5
153.09108	0.6
155.08528	1.5
155.10677	0.7
157.10120	3.2
159.08060	2.7
159.11668	4.7
161.05934	1.2
161.09688	2.9
161.13269	4.8
163.07524	1.7
163.11182	0.8
163.14848	0.6
164.92151	0.8
165.09105	1.1
167.07112	0.9
167.08456	0.5
169.10114	1.3
171.08061	1.5
171.11740	2.6
173.09605	1.4
173.11760	3.1
173.13277	4.5
175.07591	0.8
175.11191	1.8
175.14847	1.0
177.09099	0.6
177.12741	2.7
179.08559	0.6
179.14323	2.1
181.08646	0.7
181.10120	0.9
183.11696	1.9
185.09656	1.1
185.13284	0.9
187.11183	0.9
189.09174	1.2
189.11180	1.0
189.12640	2.4
191.14323	4.0
193.12234	1.0
195.13902	1.6
197.13220	0.9
198.98984	0.5
199.11176	0.8
199.14821	0.7
201.12711	3.6
203.14290	0.8
207.13757	2.8
209.15355	7.0
213.12823	0.7
215.14261	0.7
217.12444	0.7
217.15921	1.3
219.13776	6.5
221.15347	1.1
225.14775	3.7
227.14362	0.9
233.15355	1.7
235.16957	2.1
237.14835	21.7
241.15915	0.8
243.13904	0.6
245.15305	1.3
249.14905	1.1
255.15823	1.3
258.99847	0.8
259.16925	1.7
263.16449	4.5
269.15335	1.4
273.18546	1.2
275.16339	0.9
277.00851	1.6
277.17902	3.8
287.16409	6.0
305.17551	15.1
305.21045	3.0
306.17801	1.0
323.18512	85.6
324.18817	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05512	6.7
57.07081	0.6
58.75587	0.5
60.04527	0.9
62.06088	100.0
62.56375	0.5
63.06420	0.8
63.15316	0.5
66.29727	0.5
67.05505	17.3
67.05866	0.8
69.07075	4.7
69.37251	1.3
69.37663	5.5
70.02952	0.7
79.05497	10.5
81.07057	18.8
83.04989	0.9
83.08618	2.8
91.05474	5.2
93.07042	13.6
95.04991	1.7
95.08604	15.3
97.06512	0.6
97.10178	2.6
105.07026	3.9
105.64725	0.6
107.08591	8.0
109.10160	6.7
110.31841	0.7
112.77796	0.6
117.07056	2.0
119.08564	2.9
121.10148	5.2
122.20338	0.6
123.08086	1.1
123.11722	2.1
125.09632	1.9
131.08606	2.7
133.10150	2.8
135.11702	3.4
137.13258	1.2
145.10143	1.8
147.11751	2.1
149.13286	2.2
153.09138	0.8
159.00482	0.8
159.11708	1.4
161.13249	1.3
163.14870	1.8
173.13293	1.3
177.12703	0.6
177.16441	1.9
186.14954	1.1
187.14825	0.9
200.16583	0.9
214.18097	0.8
223.13364	0.7
228.19669	0.7
229.31052	0.6
243.21152	2.4
261.22110	4.2
291.19485	7.5
299.61249	0.6
304.26334	3.1
305.21249	2.2
305.24860	2.7
322.27478	13.1
322.30933	1.2
323.22284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66775	6.2
63.53423	6.7
65.96014	6.4
71.58285	8.5
99.28999	5.9
112.05556	5.9
143.01929	6.8
248.89673	16.0
322.96945	14.8
323.07416	100.0
327.57376	7.3
344.70331	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	322.2739
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.46442	0.8
55.05505	4.7
57.07067	1.5
60.04527	1.2
62.06087	100.0
63.54564	0.8
67.05502	16.5
68.20054	0.8
69.07056	3.1
71.08634	0.9
71.20425	1.5
71.49818	0.8
79.05482	11.5
81.07056	18.9
83.08598	2.5
84.60949	0.9
89.94772	1.0
90.14617	0.9
91.05476	5.2
93.07036	15.0
95.04953	1.5
95.08597	14.6
97.06508	0.8
105.07037	3.1
107.08579	7.9
109.10156	6.4
113.74033	0.8
116.98613	1.4
117.07026	1.6
119.08564	2.0
121.10125	5.4
123.11673	2.1
131.08600	3.3
133.10091	2.6
135.11674	4.7
137.13274	1.0
145.10144	2.9
147.11700	2.0
149.13231	3.0
158.11711	1.2
161.13254	1.5
163.11200	1.2
163.14786	3.3
167.61024	0.8
172.13376	1.8
173.13246	1.9
175.14865	1.4
177.16342	3.9
200.16615	1.3
214.17992	0.9
219.21213	1.3
228.19687	1.0
243.21089	5.1
261.22134	6.9
304.26337	2.4
305.24698	2.1
322.27411	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05510	3.6
57.03450	0.4
57.07064	1.3
60.04525	1.6
62.06087	100.0
65.03946	0.4
67.05503	18.0
69.07066	3.4
70.02963	0.7
70.20613	1.3
70.21010	0.8
71.08622	0.4
79.05489	11.4
81.07053	18.9
83.04980	0.6
83.08624	2.1
85.06598	0.7
85.10184	0.6
91.05486	4.5
93.07040	13.7
95.04984	0.5
95.08604	13.5
97.06513	0.6
97.10172	1.2
98.06047	0.4
98.97633	0.7
99.04465	0.6
99.08084	0.5
105.07037	4.0
107.08592	8.6
109.06503	0.7
109.10159	5.2
113.09718	0.6
117.07030	1.5
119.08579	2.9
121.10136	6.3
123.08060	0.5
123.11706	1.2
128.07117	0.5
130.08632	0.9
131.08569	3.4
133.10112	2.4
135.11688	3.2
137.13289	1.5
144.10217	1.2
145.10143	2.1
147.11705	1.2
149.09657	0.9
149.13193	2.2
151.14804	0.6
158.11789	1.2
159.11717	1.6
161.13263	1.4
163.11284	0.8
163.14786	2.2
165.16492	0.5
172.13338	1.4
173.13292	1.9
175.14911	0.6
177.12892	0.4
177.16383	2.9
184.13361	0.6
186.14940	0.5
187.14854	1.2
192.31715	0.4
200.16434	0.8
214.18074	0.8
215.17914	0.7
219.21065	0.7
228.19681	0.6
233.22667	0.6
240.19678	0.5
243.21078	4.3
253.19496	0.5
261.22131	6.0
266.21017	0.6
280.22943	0.5
284.65311	0.5
304.26489	1.9
305.24744	1.9
322.27429	15.1
323.22421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14564	0.4
55.05509	3.3
56.96563	0.6
57.07069	1.1
59.32845	0.4
60.04519	1.8
62.06086	100.0
65.03949	0.7
67.05502	16.0
67.78997	0.5
69.07069	3.5
69.81360	3.0
70.02950	0.8
71.08657	0.8
79.05493	10.2
81.06573	0.9
81.07051	18.0
83.08620	2.0
91.05471	4.4
93.07042	12.3
95.04926	1.0
95.08603	13.2
97.06492	0.7
97.10190	0.6
99.08124	0.8
105.07025	3.1
107.08594	8.0
109.10149	5.2
117.07068	1.5
119.08574	2.1
121.10135	6.2
123.11690	2.3
130.08681	0.9
131.08525	3.4
133.10136	2.2
135.11682	3.8
137.13266	1.3
144.10144	0.7
145.10153	2.8
147.11710	1.3
147.79172	0.5
149.13251	1.9
151.14870	0.9
158.11842	1.2
159.11676	1.7
161.13271	1.3
163.14798	2.2
172.13272	0.9
173.13321	1.8
175.14833	0.6
177.16435	2.4
186.14944	1.2
187.14832	0.7
200.16443	0.6
236.31317	0.6
240.19666	0.9
243.21121	5.1
261.22144	6.8
266.21097	0.6
277.00903	0.8
299.16980	1.0
304.26367	1.7
305.24576	2.4
322.27411	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	322.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50404	1.5
53.03938	4.7
55.01871	3.6
55.05505	15.3
56.05033	13.5
56.96566	6.4
57.07067	3.0
67.05500	33.4
69.03430	13.1
69.07070	19.3
70.07391	1.5
70.73824	5.4
71.04999	2.9
71.11184	1.5
74.06081	30.7
76.02263	1.8
79.05495	21.0
81.03408	13.3
81.07053	50.0
82.07377	2.1
83.04982	5.7
83.08615	5.3
85.02914	3.3
85.82604	1.6
86.06054	4.7
91.05476	34.9
93.07042	100.0
94.07376	2.5
95.04958	12.2
95.08604	55.0
96.08067	1.7
96.08949	3.8
97.02911	2.8
97.06538	6.4
97.10165	2.6
98.97572	8.4
99.08103	2.8
102.05538	17.9
105.07025	44.9
107.04947	3.4
107.08588	63.2
108.02099	2.0
108.08936	3.7
109.02882	6.6
109.06521	6.3
109.09447	3.8
109.10152	47.5
110.10480	2.7
111.04478	3.7
116.98611	5.6
117.07017	3.3
119.08572	34.2
120.06575	54.3
121.10143	18.2
122.10508	1.8
123.04382	2.0
123.08057	3.4
123.11714	9.0
127.03967	3.8
129.06998	3.1
130.66621	1.8
131.00177	2.9
131.08568	4.0
132.06552	2.5
133.06509	2.7
133.10133	16.7
134.99666	5.7
135.04402	2.2
135.08031	3.8
135.11691	50.6
136.12001	3.3
137.13252	3.0
143.08646	2.8
145.10107	5.7
147.11685	26.0
149.01236	2.1
149.02322	2.7
150.13503	1.8
151.03911	3.9
151.07578	6.9
153.00771	2.0
153.05464	2.9
159.11746	4.2
161.13269	7.3
162.03180	2.6
162.38356	1.7
163.03885	2.8
163.11221	1.9
165.09042	1.9
172.07416	1.7
173.01245	2.1
173.16264	1.8
175.14827	2.5
177.00737	3.4
179.03398	31.8
186.11249	3.0
190.02632	2.5
191.02206	2.7
201.12617	2.0
203.17989	8.9
204.11263	1.5
207.02914	21.8
209.04428	16.1
259.17148	1.6
263.16211	2.0
287.16583	2.9
304.23499	2.0
305.10208	43.4
305.17358	10.3
322.16318	8.0
322.20041	2.7
322.24133	6.2
323.11261	76.4
323.18445	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	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01854	1.6
55.05512	2.7
56.05031	2.2
56.96561	0.4
57.03432	8.6
58.85321	0.5
59.68805	0.4
61.02924	5.1
67.05495	0.8
69.03423	13.9
69.07053	2.9
69.37133	1.0
69.37546	3.6
70.06588	5.9
71.04983	2.5
72.08138	0.7
73.02907	3.0
74.06068	1.2
74.78975	0.5
75.04476	1.2
79.05480	1.7
81.03410	5.8
81.07054	6.3
83.01356	0.5
83.04949	0.7
83.08604	0.9
84.08136	11.3
85.02898	32.5
85.06538	17.2
85.07063	0.7
86.09699	20.0
87.04467	2.4
88.03975	0.5
88.07618	0.4
91.03951	2.0
91.05486	1.3
93.07037	0.8
94.06574	0.5
94.28578	0.5
95.08586	0.7
96.37231	0.5
97.02888	11.3
97.06534	2.4
98.09686	12.8
98.97551	0.8
99.04450	2.2
99.08086	21.0
102.09171	19.5
105.07005	0.8
107.08540	0.6
109.02859	3.8
109.06528	1.0
111.04414	0.6
112.11222	1.2
114.09155	1.6
115.03942	0.7
116.10721	31.5
116.98675	0.6
117.11019	0.4
118.66605	0.4
122.05987	0.6
124.11238	1.4
125.09652	0.8
127.03902	8.4
136.07579	1.4
137.07898	0.7
139.03943	0.8
142.11127	0.6
142.12253	11.3
143.10651	0.7
144.06529	0.6
144.13821	4.2
145.04953	7.5
146.05997	2.7
147.11604	0.8
148.03908	0.5
158.11707	0.6
160.13321	100.0
161.13649	1.9
162.07545	1.2
163.06050	1.1
164.07072	1.1
165.07425	0.9
174.05437	1.0
183.08554	0.6
183.13760	0.8
211.09593	0.5
219.08577	1.4
232.07718	0.6
264.14398	6.5
278.16116	0.6
299.42609	0.5
322.18582	30.6
323.19034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63510	0.4
55.63606	0.4
56.96572	2.8
57.03437	0.5
61.02885	0.3
69.63986	2.3
71.95287	0.6
78.41248	0.3
98.97587	5.3
116.98624	5.3
117.50925	0.4
119.01938	1.7
134.99657	5.3
137.02950	1.0
140.48767	0.4
153.00731	1.5
155.23288	0.3
177.00969	11.4
178.01093	1.1
182.98434	0.4
182.99776	1.8
190.96275	0.5
195.01965	0.5
201.00952	4.3
208.48842	0.4
208.98695	0.7
214.96515	2.6
218.03633	0.9
219.02008	100.0
220.02110	7.2
221.02301	0.5
222.86528	0.4
224.02338	0.3
232.93195	0.6
234.99850	1.0
236.00131	0.6
236.99532	2.7
237.03047	0.6
238.92760	0.4
238.96243	0.4
242.03619	5.4
256.97540	13.0
258.99951	1.3
260.04681	0.8
261.03040	1.6
272.94464	1.2
274.94296	2.5
274.97684	3.4
277.00842	1.3
278.01260	0.6
279.98175	1.2
280.96927	1.2
282.93839	0.4
288.92401	0.4
292.95166	1.5
297.99155	0.6
298.97778	34.3
299.97925	1.7
300.97781	0.4
314.95514	0.4
316.95392	1.5
316.99194	1.5
318.49081	0.6
318.99045	0.7
321.99255	3.7
328.94391	0.6
335.93018	0.4
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	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01858	0.9
55.05514	6.6
57.07079	3.0
59.05005	0.7
59.25331	0.5
67.05508	5.2
69.07071	4.9
69.80643	3.5
71.04977	1.5
71.08619	1.9
73.79058	0.5
78.60262	0.5
79.05487	4.5
81.07059	8.6
83.04951	1.4
83.08617	2.6
85.06528	1.9
91.05467	2.4
93.07047	5.1
95.04920	0.9
95.08610	8.6
95.87814	0.5
97.06520	1.2
97.10152	1.7
99.08065	1.4
100.72089	0.6
100.89582	0.5
105.07024	2.8
107.08604	4.1
109.06520	16.2
109.10146	3.3
111.08082	1.7
111.52403	0.5
112.63248	0.5
117.07038	0.5
119.08588	3.2
121.06461	1.1
121.10143	3.8
122.07275	1.9
123.08067	49.0
123.11700	1.1
124.08363	0.7
125.09634	0.5
131.08591	1.1
133.10088	2.5
135.08032	5.5
135.11681	1.5
137.09589	3.0
139.11169	1.0
145.10130	1.8
147.04420	0.6
147.11670	1.4
149.09631	1.0
149.13171	0.6
151.11172	0.6
159.11670	1.2
162.55473	0.5
163.11195	0.8
163.14873	0.6
165.12720	1.1
179.14305	58.5
180.14622	2.3
187.14720	1.2
193.15860	1.0
203.12738	0.8
205.15878	1.0
247.16890	0.9
253.18118	0.7
261.22116	1.0
265.15292	1.1
265.17984	13.4
275.23599	0.8
303.23117	3.6
318.27408	0.6
321.24222	100.0
322.24573	4.8
343.03516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86393	1.0
56.96550	2.5
59.40281	1.2
67.05478	1.1
69.07071	1.5
76.39357	1.0
79.05473	2.2
81.07047	2.5
91.05466	1.6
93.07029	2.1
95.08618	1.6
98.21484	2.5
105.07042	1.2
107.04971	1.3
107.08626	1.2
109.10130	1.5
113.64342	1.0
116.98605	1.5
121.10129	1.6
130.05022	1.0
133.10115	1.5
145.10173	1.0
202.72124	1.2
300.84674	1.1
303.23395	1.0
321.16733	100.0
322.16861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01860	1.0
55.05498	2.7
57.03424	2.1
57.07055	2.7
58.76595	0.7
59.04982	2.0
60.50260	0.6
66.17213	0.7
67.05503	7.9
69.03419	2.9
69.07066	3.0
69.49562	3.2
69.49985	2.5
74.63989	0.7
79.05489	3.2
81.07057	9.7
83.04975	2.5
83.08604	2.0
83.10565	0.7
85.06548	2.4
91.05476	4.3
93.07046	6.5
95.04969	4.4
95.08605	17.9
97.06542	5.4
98.97591	1.2
105.07028	9.9
107.04935	1.3
107.08596	9.3
108.05719	1.1
109.06522	4.9
109.10136	5.2
111.04415	1.0
111.08076	1.2
113.09628	1.0
116.98606	1.4
117.07053	1.1
119.08567	7.2
121.06496	2.7
121.10123	6.4
122.07280	1.8
123.08067	43.5
123.11674	2.1
124.08396	0.9
125.09592	1.6
128.06207	0.9
129.06979	1.2
131.08546	4.6
133.06473	2.8
133.10139	5.1
134.06845	0.7
134.99597	1.5
135.08089	1.6
135.11647	1.4
137.05966	4.5
137.09596	2.3
141.06975	1.0
141.09097	3.8
143.08565	2.3
145.10123	6.6
147.08057	3.4
147.11705	4.0
149.09622	5.0
149.13147	0.9
151.07542	100.0
152.07878	2.0
155.08607	0.9
155.10674	0.9
156.09334	2.2
157.10146	2.7
159.08032	2.7
159.11691	2.1
160.08754	0.9
161.09615	2.6
161.13228	1.7
163.11177	1.5
165.09140	2.0
169.10069	1.1
171.11710	3.1
173.09581	1.3
173.13283	2.0
174.10417	1.5
175.11189	3.5
175.14919	0.9
177.09135	2.3
177.12790	1.2
179.10646	1.5
183.11746	0.9
185.09659	1.1
187.11201	1.4
189.12723	20.7
190.13110	1.2
191.10690	1.0
191.14314	1.0
192.11482	3.8
197.11696	4.1
197.13327	1.3
201.12674	1.1
207.13806	72.9
208.14119	2.3
211.14912	1.1
215.14291	2.0
219.01727	0.8
233.15324	1.9
243.17361	1.3
243.80605	0.7
247.13329	2.4
285.18515	2.3
303.19449	3.9
321.17191	2.0
321.20602	41.9
322.20993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
56.18682	2.2
56.96556	8.2
61.01122	3.6
67.05486	9.9
69.03411	9.6
69.07069	4.4
70.06578	8.7
71.04981	4.8
71.60296	3.5
72.04509	19.9
72.08136	9.3
78.03773	10.5
79.05485	10.7
81.03397	5.2
81.07034	8.5
83.04969	2.4
84.04482	3.3
85.02887	6.3
86.06042	8.6
86.09692	5.6
88.02190	4.9
91.05459	10.5
93.07043	14.8
94.06555	3.5
95.04950	5.5
95.08590	9.3
96.08111	5.7
97.02899	3.0
97.06528	5.4
98.97584	4.8
99.04387	2.6
99.05578	4.2
102.03758	7.2
103.02161	33.6
105.07016	6.9
107.04922	3.9
107.08585	6.8
109.02876	3.1
109.06521	5.4
109.10130	4.1
110.06067	3.3
111.04469	3.8
113.05927	2.8
114.03737	9.9
114.05519	40.6
116.98620	6.2
117.06980	3.7
118.06499	2.6
120.04794	24.6
120.08101	13.7
121.06464	3.3
121.10124	5.0
122.06038	8.5
124.07585	13.6
125.06038	3.8
128.08203	3.8
128.98598	5.3
129.10188	7.0
130.54785	2.5
131.06340	4.6
131.08551	5.1
132.04759	9.6
133.10077	5.0
134.99660	3.4
135.08026	3.8
135.11699	4.5
136.07549	7.5
138.05453	6.4
142.08585	3.9
143.08566	3.9
145.06442	4.0
145.10071	5.3
146.99602	5.3
149.07443	17.1
152.07039	47.4
159.05872	9.5
159.08055	3.1
160.11148	3.8
162.05573	2.9
164.07074	3.6
166.08601	5.0
170.09540	4.6
174.05788	4.7
174.08777	6.4
175.05397	4.1
177.00693	3.7
180.06528	8.7
181.08592	3.6
184.09612	3.4
187.12326	4.9
189.10266	4.2
189.16389	4.0
191.08487	100.0
198.09129	7.3
206.08406	3.2
212.10690	2.9
214.08621	3.2
215.11758	7.9
216.10175	4.5
219.01726	7.7
226.08643	3.4
228.08893	8.1
231.17206	2.8
237.02736	17.9
239.11736	6.3
243.11308	27.7
244.12094	4.1
246.43143	2.8
249.18549	4.6
257.09195	3.4
257.12781	4.9
261.02713	4.4
261.09317	5.1
261.12317	14.7
267.11295	11.4
267.19543	7.0
275.11017	3.9
275.13846	5.0
279.03918	7.3
285.12338	35.7
285.20618	3.4
289.08582	3.1
303.13501	72.1
321.10834	17.0
321.14493	23.6
340.60809	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.05481	4.1
56.05029	5.7
56.96555	10.4
57.29295	4.3
62.73201	4.1
65.84515	4.0
67.05502	8.8
69.03412	7.1
70.06579	19.6
71.59206	5.7
72.08147	11.1
74.52296	5.2
84.08128	8.7
85.02892	7.4
86.09708	11.4
91.05472	4.7
94.06560	8.0
95.04963	7.3
98.55418	4.5
98.97572	8.7
108.08086	8.0
110.07106	4.8
116.98635	8.3
119.04927	4.4
120.08094	8.3
122.05971	5.4
123.04566	4.7
134.05997	5.3
134.99693	5.4
136.07596	7.5
138.05482	26.3
139.03790	5.1
146.06049	8.4
146.99664	4.8
147.04436	10.2
148.07559	9.8
156.06551	15.9
166.08621	11.9
174.07855	5.8
177.05510	7.4
189.10233	15.9
196.09937	10.2
202.08632	5.8
202.10829	8.2
206.08403	27.2
208.03151	5.0
211.12331	13.5
212.10715	6.0
214.08714	4.5
215.09500	4.5
221.10722	11.5
223.08696	9.0
224.09480	10.0
227.08119	7.6
230.11998	5.4
233.10507	4.7
237.10312	8.6
238.10956	10.2
239.11772	32.5
244.12044	10.3
257.12848	13.8
258.11343	11.4
267.11258	60.8
275.13834	7.1
276.12286	17.3
285.12338	100.0
303.13394	64.4
304.11618	6.2
321.10910	4.4
321.14450	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01861	1.6
55.05514	1.1
56.96567	5.5
57.66549	1.1
61.02927	1.1
66.06944	1.0
67.05506	8.9
69.03423	3.6
70.61409	3.2
71.05002	1.9
79.05491	3.0
81.03415	2.2
81.07064	2.9
83.04971	1.1
85.02907	22.6
86.09730	1.0
91.05495	4.8
93.07057	3.6
94.06570	10.9
95.04972	3.3
95.08608	2.7
97.02880	2.1
98.97574	4.6
103.05460	1.3
105.07056	5.2
107.04974	3.5
107.08611	2.0
111.04449	15.7
115.05473	3.8
116.98626	2.4
117.07030	2.6
119.08576	2.4
121.06513	2.5
121.10122	1.5
122.06037	30.0
123.08086	1.2
126.05538	1.3
128.98607	1.7
129.06949	1.6
131.04915	1.5
131.08557	2.7
132.95818	1.1
133.06522	2.1
133.10158	1.6
134.99634	2.3
136.07585	67.0
137.05994	1.3
140.07074	1.1
141.07071	1.2
143.08536	1.5
145.06526	3.0
146.99663	2.3
147.04465	1.1
151.07657	1.2
153.06995	1.0
158.07263	1.2
159.08015	2.5
161.01237	1.2
161.06000	2.7
163.03940	1.5
163.07562	1.8
164.07072	100.0
165.07376	1.1
165.09091	1.7
167.07063	4.1
171.08015	1.4
172.03970	1.1
173.05975	2.6
175.07587	2.7
177.00731	1.5
177.05469	2.4
179.07002	1.8
181.08609	12.9
182.08136	69.8
183.08051	1.2
187.07587	1.6
191.07071	2.3
193.08635	4.1
194.09142	1.5
195.06552	2.8
202.71231	1.0
203.01962	1.0
205.08633	3.5
207.06473	1.5
207.10187	2.8
209.11736	1.0
211.09674	3.3
212.10068	1.5
215.06924	1.2
217.08655	2.4
219.01830	2.4
219.10255	1.4
223.09694	5.8
229.04088	1.0
237.02808	4.6
238.03160	2.1
243.10252	1.3
245.08081	2.2
247.09792	1.2
255.03929	1.0
259.09717	1.3
286.10666	1.3
303.12677	2.0
306.08279	1.2
320.60477	2.5
321.13611	14.0
321.17221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
53.06000	1.3
55.01872	2.5
55.05504	2.5
56.96565	2.6
61.43925	1.5
61.82071	1.8
65.03949	1.6
67.05507	18.0
69.03418	5.4
69.07068	4.6
71.60134	2.5
74.02420	2.2
79.05480	4.7
81.03413	5.1
81.07057	6.3
83.04953	1.6
85.02897	7.5
85.06528	1.8
85.80506	1.6
86.09703	2.7
91.05486	7.8
91.06027	1.6
93.07035	4.8
94.06562	12.9
95.04964	3.9
95.08584	4.3
97.02868	2.0
97.06531	2.6
98.97613	2.5
99.08096	1.8
105.07044	4.9
107.04972	5.5
107.08598	2.6
108.04531	1.5
108.08120	1.9
109.06509	2.2
109.10165	1.9
111.04431	6.0
111.08127	1.9
116.05021	3.1
117.07008	2.8
119.08561	2.7
121.06492	4.4
122.06025	43.5
127.03892	1.7
129.06999	2.0
130.06520	3.8
131.04962	8.4
131.08546	3.1
132.08099	2.2
133.10156	1.9
134.06039	4.6
136.03920	5.2
136.07573	63.7
140.07062	2.5
141.06932	1.6
144.04437	7.4
145.06500	2.5
145.10147	2.7
146.06018	8.4
149.05904	3.7
156.06810	1.9
158.11781	2.9
159.08084	2.3
159.09265	2.2
160.13353	3.2
161.07132	5.6
162.05522	23.6
164.03432	4.1
164.07068	100.0
165.07350	2.0
171.05551	6.3
172.03931	15.0
173.07152	5.6
174.05510	6.8
181.08650	5.8
182.08136	62.4
189.06580	26.4
190.05063	9.2
190.06673	2.3
199.05040	2.2
200.03333	3.0
205.08615	2.1
215.04414	1.8
217.06120	7.8
218.04515	8.7
235.07274	9.1
243.11256	2.4
258.11206	2.7
275.06592	3.6
275.10202	1.7
285.12289	3.1
286.10773	3.3
303.06232	4.9
303.13025	6.4
304.11981	3.4
321.07281	9.4
321.13565	5.0
321.16898	2.1
321.24268	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1333
Annotation	PR-toxin
Peak:m/z	Relative Intensity
52.73000	1.2
55.01853	1.7
57.16088	1.4
68.56281	1.5
69.03424	5.7
69.61852	5.0
69.62276	4.1
79.05476	1.9
85.02905	100.0
91.05472	10.1
93.07024	2.5
95.04955	2.7
97.02872	2.3
98.21503	2.1
103.05452	2.9
104.06321	1.4
105.07054	7.2
107.04938	5.3
107.08597	1.6
108.63023	1.2
109.02869	1.3
111.04442	79.7
115.05451	10.7
116.06275	2.0
117.07029	15.4
119.04945	1.1
119.08621	2.3
121.06481	8.7
128.06239	2.8
128.58601	1.3
129.06985	9.4
131.04918	3.8
131.08569	5.7
133.06485	5.9
134.03653	1.5
135.08063	1.3
136.07542	1.4
137.05916	1.8
141.07004	6.0
143.04944	3.1
144.05708	6.6
145.05383	2.3
145.06473	20.6
146.07292	1.1
147.04390	2.0
147.08049	3.7
151.07484	2.3
152.04672	1.9
153.06973	2.4
155.06055	2.9
155.08554	1.8
156.05675	2.5
157.06522	4.9
158.07239	3.5
159.04396	3.3
159.08081	8.0
160.05202	2.5
161.05998	10.1
162.06737	5.2
163.07555	2.3
164.07045	2.7
165.07004	1.7
166.06294	2.9
167.07043	14.6
168.07732	1.7
169.06456	3.8
170.07301	1.2
171.04369	1.6
171.08066	2.8
172.05161	4.2
173.05978	11.2
173.09627	1.6
174.06616	2.2
175.07576	7.1
177.05487	11.0
177.09100	1.5
178.06215	4.4
179.07033	4.4
179.08513	1.4
180.04144	1.7
181.08594	82.2
182.07352	1.8
182.08926	2.0
183.08008	3.9
184.05212	1.5
185.05988	4.9
186.06743	4.1
187.07549	11.6
189.05457	5.6
189.09132	3.1
190.06258	7.1
190.32210	1.2
191.07031	11.3
192.07825	3.5
193.08623	20.4
194.09337	1.7
195.06529	15.0
195.10257	1.9
197.05963	2.8
197.09561	3.1
199.07555	5.3
200.04712	2.0
200.08327	2.9
201.05568	1.3
201.09131	8.1
202.06287	5.2
203.07021	6.4
204.07805	3.2
205.08582	16.8
207.06519	7.2
207.10086	7.1
208.07321	5.3
209.11748	3.6
211.07545	5.2
212.04752	1.5
213.05498	4.2
214.06277	2.5
215.06915	5.8
217.08607	12.2
219.06636	2.4
219.10126	9.9
221.08124	1.7
222.08784	2.7
223.09656	37.3
225.09094	4.2
227.06996	5.4
228.07834	3.8
229.04944	1.7
229.08578	2.5
230.05769	4.5
231.06566	3.4
231.10197	1.3
233.08052	2.1
233.11749	4.2
237.11240	7.9
239.07098	2.2
241.08563	1.4
242.09453	1.9
243.06577	2.6
243.10162	4.4
244.07454	1.4
245.08171	7.9
246.08916	1.2
247.09673	6.1
253.08685	2.9
256.07404	1.4
257.08054	2.0
259.09689	4.9
261.11301	3.5
263.09183	3.1
270.08929	2.7
271.09601	5.9
273.07538	3.0
275.09073	4.1
275.12717	3.4
277.10751	3.0
285.11292	4.4
286.89410	1.4
288.09805	1.6
303.12280	9.7
315.68423	1.3
321.13333	83.7
322.13535	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	320.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
56.96557	10.9
58.18144	4.1
59.40354	4.4
60.63055	4.5
67.05489	5.0
68.94447	4.6
69.07056	10.3
77.00906	19.1
79.05486	9.7
81.07056	15.0
83.08622	12.3
91.05453	4.8
93.07041	7.1
95.01944	13.6
95.08582	9.4
98.97562	5.6
100.92784	5.4
109.10145	5.3
119.01926	49.4
119.08615	5.4
121.10143	6.4
123.95898	5.1
124.03946	17.6
134.99632	5.3
135.11674	4.3
137.02946	38.1
137.31244	4.6
142.03467	4.4
161.13405	4.5
168.06526	5.3
186.34424	4.1
198.82536	4.2
219.12256	10.0
237.13362	98.0
255.14432	100.0
260.15033	11.6
273.15558	28.8
278.15988	5.5
279.14362	10.6
297.15378	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	321.0945
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.96553	8.9
69.81438	30.5
69.81863	27.1
72.08134	8.6
83.09777	8.6
83.11003	8.3
98.20853	9.0
101.00874	11.9
111.05565	11.2
114.89325	9.1
119.01910	51.3
131.01921	11.6
133.03442	32.8
137.02917	17.4
137.45801	8.3
141.06555	11.3
145.03358	10.7
163.04628	9.4
168.99857	10.4
173.02971	16.0
187.00986	9.5
189.02444	9.6
191.04059	11.7
215.00311	10.5
219.03589	10.9
221.05051	13.4
229.02022	10.7
247.02890	22.6
273.01215	9.0
321.09177	100.0
322.05551	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	321.1119
Annotation	Betulinan A
Peak:m/z	Relative Intensity
62.80802	0.2
69.03418	0.4
69.07055	0.4
71.25194	0.4
79.05489	0.3
80.08965	0.2
81.03382	0.2
81.07027	0.8
85.80698	0.2
86.28377	0.2
91.05466	0.4
93.07020	0.4
95.08595	0.4
105.07021	0.6
107.04909	0.3
107.08527	0.3
131.54764	0.2
135.04352	0.4
137.05980	0.3
147.04396	0.4
161.06013	0.5
178.07889	0.4
179.08545	1.3
189.06941	4.3
190.07759	4.0
191.08524	0.9
193.06506	0.4
200.06215	0.4
201.06958	1.9
202.07755	2.2
203.08551	1.5
205.06468	0.9
205.10072	0.3
206.07240	0.6
207.08055	5.6
215.08667	1.2
215.10379	0.2
217.06485	1.1
218.07263	15.6
219.08046	3.6
220.08853	0.4
221.05951	0.6
221.09653	0.4
222.06723	0.3
222.10454	0.3
228.05794	0.3
229.06476	10.4
230.07191	3.1
231.08063	1.7
232.08800	1.0
233.06120	0.5
233.09618	3.9
234.06740	1.0
235.07524	12.1
236.07935	0.5
242.07321	0.3
243.08029	0.9
245.05980	3.8
246.06757	22.1
247.07492	8.8
247.10138	0.2
248.08157	0.7
249.09120	2.5
250.09938	2.5
257.05969	7.4
258.06726	5.0
259.07480	3.1
260.08344	1.8
261.09100	39.6
262.06274	0.9
262.09650	3.2
263.07028	14.5
264.07480	1.1
265.12210	0.4
271.07544	0.6
272.08328	0.5
273.05466	2.9
273.09048	1.1
274.06241	15.5
275.07025	9.1
275.10138	0.5
276.07693	0.8
277.08591	7.0
278.09351	15.3
279.09790	1.1
288.07758	1.8
289.08569	44.1
290.09286	12.0
291.06567	7.4
291.09921	1.2
292.07129	0.5
292.10843	0.5
293.11697	3.2
293.53189	0.3
302.20129	0.2
303.10159	1.0
304.10828	0.3
305.08047	2.0
306.08850	26.9
307.09262	1.3
321.11194	100.0
322.11572	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
50.74420	16.2
51.92764	15.1
55.05493	57.1
55.29268	15.9
56.96553	74.4
57.07062	24.4
58.74894	20.8
60.00855	16.6
65.58843	14.6
67.05499	47.0
69.03472	18.0
69.07053	61.7
70.32718	36.7
70.33111	34.9
74.76962	15.8
78.94592	16.2
79.05470	51.6
81.07065	84.7
85.06535	45.6
88.07613	28.9
91.05481	48.9
93.07030	97.2
95.04932	30.8
95.08591	100.0
96.13991	18.2
97.06523	39.8
105.07033	67.5
107.08573	66.4
109.06509	17.7
109.10143	75.8
111.04430	27.8
119.08601	77.5
121.10103	48.7
123.08106	26.3
123.11694	22.3
133.10115	50.3
135.08072	19.1
135.11661	49.1
137.09599	22.5
141.39122	20.5
141.84406	21.4
143.08543	28.7
145.10075	52.1
147.11734	31.9
157.10172	19.9
159.11696	21.0
171.11621	20.8
185.13264	21.1
187.11105	19.8
191.17981	22.2
193.04881	22.8
219.13696	18.6
271.70303	17.6
287.50363	22.0
289.08411	18.7
301.21686	39.1
319.09735	57.3
319.18973	55.8
319.22684	72.5
319.30301	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03287	0.5
55.93538	0.4
56.05030	1.1
56.96548	1.1
60.04497	0.6
70.06584	1.6
71.58757	0.8
72.08150	1.0
74.06093	0.6
83.06074	0.6
84.04498	9.9
84.08117	1.2
85.02909	1.0
86.09691	2.6
97.02930	0.6
98.97590	0.8
101.07137	2.2
102.05544	4.3
107.04999	0.5
110.07178	0.6
116.07094	0.8
116.98663	0.9
118.06543	1.0
119.93131	0.5
120.08086	0.9
127.08705	0.6
128.04910	2.8
129.06537	0.7
130.05006	5.6
130.06496	0.6
132.04425	1.7
134.99661	0.8
136.07619	0.7
139.81544	0.5
146.06003	100.0
147.04411	0.7
147.06340	2.4
147.07658	2.8
173.12871	0.9
174.05499	22.7
191.06393	1.1
191.08144	21.8
192.06549	1.8
192.08228	0.5
217.13722	0.5
219.01836	0.7
237.02701	0.6
274.11783	1.5
275.10202	5.0
302.11264	2.5
303.09781	2.4
314.20358	0.5
320.12390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79334	2.3
55.05506	12.0
56.05030	2.8
56.96546	4.4
57.03432	3.7
57.07077	4.1
60.04511	10.5
67.05498	9.0
69.07066	21.2
71.60181	4.0
79.05487	6.5
81.07053	10.7
83.08613	6.8
85.06522	3.1
88.07626	5.0
91.05479	5.6
93.07026	4.6
95.04930	3.6
95.08610	10.2
97.06487	2.5
105.07040	11.7
107.08597	10.0
107.64440	2.8
109.06500	3.8
109.10132	6.6
111.08085	3.1
111.11713	4.6
119.08566	17.8
121.10155	12.9
128.06195	3.6
129.06996	9.8
131.08513	3.6
133.10143	15.5
135.11737	2.8
135.90184	2.4
142.07745	7.8
143.08549	10.9
144.09358	2.9
145.10126	12.2
147.08025	6.0
147.11668	8.3
153.92216	2.5
154.94115	4.9
155.08461	2.3
157.10139	18.8
159.11708	12.0
161.09633	25.1
161.13274	2.7
170.10831	2.8
171.11714	4.7
172.95210	15.9
173.13278	21.8
175.11203	10.2
175.14828	9.1
189.12755	7.8
189.16405	6.6
190.96255	10.7
199.14838	27.5
203.10539	2.7
217.15875	100.0
218.16307	3.5
235.16933	3.8
259.16934	3.7
271.28198	6.4
319.22647	3.3
319.30292	19.2
335.00507	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	319.1541
Annotation	Zearalenone
Peak:m/z	Relative Intensity
50.32460	1.2
50.82906	1.4
51.97512	1.4
55.01881	1.3
56.05036	2.2
56.96566	84.5
60.04524	2.3
61.02925	2.6
68.99021	1.5
69.03432	1.6
70.06573	4.3
70.98124	1.6
71.02470	3.7
71.33929	3.0
71.95263	2.6
72.08135	8.8
72.96029	4.7
73.02927	3.5
74.97594	2.3
75.83752	1.3
83.06076	2.1
83.97598	2.4
84.04530	2.2
84.08156	7.8
84.96036	4.9
85.02909	4.1
86.09700	11.8
88.99151	1.7
90.10601	1.5
97.02876	1.5
98.06025	1.5
98.97584	5.3
100.05145	1.6
102.05539	2.2
105.70708	1.6
110.07153	8.2
116.07077	2.0
116.98565	7.9
119.01905	8.3
125.73595	1.3
126.02281	3.2
126.05421	2.9
128.98624	3.5
129.10229	3.3
131.99522	1.4
132.10231	2.0
133.01564	2.0
133.03484	4.2
134.99664	7.3
137.02940	2.8
138.05460	1.8
140.03801	4.0
142.01717	4.6
142.05417	3.1
144.03290	6.4
146.99661	5.7
152.05659	3.3
153.06355	3.4
154.06844	2.7
158.01099	1.7
158.04922	14.5
160.02824	1.9
160.06464	22.1
161.02879	2.7
162.04324	2.3
165.00697	4.0
168.01740	1.9
170.04924	4.4
171.03259	1.8
174.00836	1.9
174.99298	2.4
175.00964	4.7
176.05933	9.6
177.00780	2.0
177.02322	2.9
178.07507	9.5
179.05917	1.9
187.04625	2.3
188.05956	18.3
189.02617	3.2
189.04337	15.0
190.98621	2.2
193.00232	4.2
204.98755	2.6
206.06996	28.3
207.05389	14.4
213.44194	1.9
217.01872	7.7
220.04317	2.0
221.01981	4.3
224.08035	50.7
225.08350	2.5
226.52158	1.7
229.04677	2.9
235.03030	7.7
241.47009	1.6
242.09154	2.1
248.08128	8.9
266.09113	4.5
277.04068	3.9
286.10895	2.9
301.14398	14.5
302.12582	2.9
319.11664	4.1
319.15405	100.0
320.15659	2.7
337.16547	21.9
342.17047	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	319.1177
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03935	0.8
55.01859	1.4
55.05507	1.6
56.77462	0.7
56.96562	3.4
65.03946	2.4
67.05505	3.8
69.03411	1.0
69.07060	1.2
70.06604	1.3
71.59705	0.7
72.19453	0.6
74.02461	0.7
77.27856	1.3
79.05496	2.4
81.07062	2.3
82.06592	1.1
85.02905	1.1
86.09702	1.2
89.03926	3.3
91.05479	4.5
93.07067	1.7
95.04420	0.8
95.04945	4.0
95.08605	1.3
97.06552	1.2
97.10150	0.8
100.07641	0.8
103.05484	1.4
105.07043	1.1
107.04974	2.4
107.08602	1.1
107.91769	0.7
108.02092	2.3
109.02854	1.5
111.04435	1.8
116.07064	0.8
116.98660	0.9
117.03372	4.4
119.08588	1.0
120.08090	1.7
121.06503	3.4
123.04455	1.1
124.05190	1.1
127.27551	0.8
132.08086	1.9
133.08401	1.1
134.03656	2.6
135.04405	5.6
137.05948	6.7
141.05472	5.8
145.02856	1.8
145.10123	1.3
149.05978	74.0
151.03908	79.6
151.05008	6.6
151.07509	1.7
152.06250	1.1
153.01888	1.0
153.05652	1.1
153.06979	8.1
159.09219	1.0
160.09538	1.6
161.01239	1.2
161.06001	1.2
163.02583	1.2
163.03908	19.3
163.07475	1.2
164.04280	0.9
165.06943	0.9
167.08534	1.2
170.07352	1.1
171.11674	0.8
173.13080	1.0
177.05472	100.0
178.05925	1.0
181.04945	1.4
181.06462	10.7
186.09116	0.8
195.08034	1.4
198.06860	2.1
209.05984	3.5
213.09091	5.4
226.06383	1.2
227.02325	1.0
237.00673	3.8
241.08609	7.7
243.06506	0.8
246.14951	1.1
246.64180	3.3
255.01805	1.4
259.10873	1.0
268.07373	1.1
269.08057	1.4
273.03745	2.4
273.11197	13.4
283.09692	1.8
294.98355	0.9
301.10751	8.4
302.15833	1.9
304.04791	1.0
304.69730	0.8
318.68677	2.9
319.04276	2.0
319.07339	3.4
319.12582	1.1
319.18774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2022
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05508	5.7
56.96569	2.1
59.34218	1.2
60.04523	37.2
60.12017	1.1
67.05503	2.8
69.07071	4.2
70.02931	1.5
70.06586	3.3
71.59069	1.7
72.08157	77.8
76.02226	2.4
79.05482	2.0
81.03394	1.9
81.07072	2.1
84.04534	1.7
84.08137	9.8
85.02888	3.7
85.79439	1.3
86.09705	100.0
87.05591	25.0
91.05475	2.8
93.06992	1.8
95.04982	2.0
96.08098	1.7
97.06535	2.0
98.71889	1.5
98.97581	1.8
107.08606	1.9
109.10181	1.6
110.90901	1.4
114.09168	16.9
116.98600	2.8
118.08659	4.7
120.08108	7.0
128.10698	8.5
129.10251	5.3
130.08505	1.6
132.10207	4.4
149.09557	1.7
150.31305	1.3
152.07104	1.5
157.50198	1.4
159.11293	94.1
162.05576	1.4
167.07076	1.6
171.14897	1.7
173.12859	93.7
174.13231	1.8
187.10770	25.9
201.12318	26.1
205.11832	2.0
219.13417	3.8
227.08188	3.2
231.16969	3.3
244.52759	1.4
247.78157	1.3
255.11276	2.1
273.12323	1.7
274.16296	1.6
301.08157	5.4
301.11823	8.7
301.14966	1.7
318.26382	2.2
318.30032	3.3
319.12906	4.3
324.11642	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0786
Annotation	Flustramine C
Peak:m/z	Relative Intensity
56.96565	29.4
59.67836	10.9
67.84206	10.2
69.31882	27.2
69.32298	100.0
78.38274	11.8
89.51163	12.4
96.30249	10.8
114.89298	16.4
119.01888	16.9
129.20621	12.8
145.03537	13.1
173.03017	12.1
203.32419	10.5
208.99815	16.5
217.02005	13.4
274.87064	13.7
301.11813	25.6
319.07294	68.3
319.13184	22.6
319.30264	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	318.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.0
56.96567	6.7
57.03454	16.0
57.03667	2.9
67.97248	3.3
69.03419	10.5
69.04531	3.4
69.07061	6.7
70.02950	4.1
70.04076	9.9
70.06590	4.3
70.15775	14.1
70.66612	3.4
71.01360	6.9
71.02477	20.1
71.04860	6.5
72.05635	8.4
72.08148	29.7
72.93782	3.5
73.02903	15.2
82.02956	4.9
82.04086	4.3
84.04499	7.3
84.08135	8.2
85.02916	15.0
85.04041	4.3
85.06542	25.9
86.09705	71.2
88.05121	3.4
89.03493	11.1
97.02889	11.7
97.05139	17.6
98.03537	45.9
98.05947	11.6
98.21445	3.3
98.97617	3.3
99.04337	8.3
100.05101	12.0
102.05505	3.5
103.03950	4.0
108.04337	7.0
109.02737	3.2
109.05142	9.7
110.03512	6.8
110.05921	2.9
113.04589	5.0
115.03953	8.2
115.06180	36.3
116.04610	3.6
116.98655	5.6
118.08654	5.8
124.03835	14.5
125.04589	16.1
125.06972	100.0
126.03059	3.2
126.05380	33.8
126.07768	24.3
127.06159	5.7
130.05035	4.0
132.06602	4.0
133.04991	10.4
134.99672	4.9
136.06174	54.3
137.04607	7.1
138.05515	15.3
139.06148	3.2
140.04541	5.5
141.04085	10.7
141.06467	21.1
142.04889	7.2
142.07256	6.4
143.05650	67.6
143.11736	3.5
150.96895	3.6
152.03345	3.3
152.05681	12.2
153.06444	85.1
153.07639	4.7
154.07217	41.9
155.99608	4.7
156.06541	8.5
157.13344	20.6
158.06781	8.5
158.97507	3.6
164.05667	12.6
168.05183	3.9
169.05943	8.0
170.06761	7.8
173.09137	3.4
174.00708	17.0
177.08719	13.8
182.06767	8.6
185.12801	5.9
185.16524	7.8
186.06232	52.6
186.09911	8.1
196.08350	6.8
204.05363	5.9
210.06259	3.7
211.07045	8.0
213.15802	3.5
216.01894	4.6
231.08601	8.0
234.99059	5.6
257.11292	12.3
258.12653	4.0
275.09863	9.2
285.10721	22.1
318.10364	6.0
318.13660	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.32187	4.1
55.05507	11.8
56.96568	50.5
57.07071	10.2
58.80494	4.2
59.93232	4.2
60.23432	4.1
67.05515	22.3
69.07062	10.5
69.23016	4.0
71.04971	6.1
71.21552	10.3
71.95261	4.7
79.05487	10.8
81.07055	26.2
83.08609	5.6
88.07621	5.8
91.05477	18.0
93.07046	23.5
95.04970	7.2
95.08613	38.9
97.06521	4.3
105.07003	26.3
107.08581	23.5
107.58130	4.3
109.06474	7.2
109.10163	32.4
109.17950	4.3
111.04435	9.4
111.08089	7.2
114.17404	4.8
117.07000	5.1
119.08584	29.9
121.10126	13.4
123.08064	7.7
123.11705	7.0
131.08566	7.7
133.06471	8.2
133.10159	22.3
135.08032	8.4
135.11728	7.4
137.09589	15.1
145.10100	11.3
146.99678	7.9
147.08073	4.7
147.11656	15.6
151.07576	8.4
151.11194	5.5
157.10066	6.5
159.11673	14.8
161.13271	8.2
163.14853	10.1
171.11705	8.2
173.09685	6.3
183.11708	6.5
187.11104	5.5
189.16397	8.2
194.47968	4.8
199.14772	5.6
201.83437	4.4
203.10655	7.1
275.20013	8.0
288.92465	5.5
299.20096	24.3
317.17929	13.8
317.21036	49.7
317.24759	11.7
317.32617	9.8
318.24045	100.0
335.19016	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03913	2.9
55.05505	20.1
56.05041	4.7
56.43605	2.9
57.03417	4.2
57.07073	7.3
57.08117	3.2
59.00771	2.9
59.05015	4.3
60.04530	32.3
65.03937	4.2
67.05503	51.2
69.03428	4.4
69.07069	64.5
71.04314	4.6
71.08609	3.0
73.57340	2.8
74.06088	8.2
79.05491	22.3
81.07058	65.5
83.04974	9.5
83.08620	10.1
85.06539	6.6
88.07629	18.7
89.07948	4.2
91.05494	28.1
93.07040	42.0
95.04971	9.5
95.08609	74.8
97.02897	7.0
97.06540	14.9
97.10203	3.8
105.07023	46.1
107.08591	45.4
109.06525	11.4
109.10150	79.5
111.04414	17.6
111.08080	7.8
113.09716	3.6
117.05095	2.9
117.07019	7.9
119.08583	71.7
121.06513	13.9
121.10156	24.0
123.08051	17.3
123.11730	24.9
125.05942	3.6
129.06985	6.5
131.08548	17.8
133.06476	4.5
133.10133	44.7
135.08060	5.4
135.11690	13.0
137.09624	37.1
137.13235	24.9
139.07510	6.2
142.07767	5.3
143.08559	14.0
145.06436	3.8
145.10100	21.7
147.08032	17.6
147.11678	22.4
149.09630	3.2
149.13289	5.6
151.11151	16.9
153.09053	3.7
155.08514	6.9
156.09270	3.2
157.10127	17.3
159.08099	7.3
159.11691	24.6
161.09676	4.9
161.13300	19.7
163.07585	4.2
163.11191	3.6
163.14786	4.4
165.09094	7.2
165.12752	3.4
169.10100	8.6
171.11681	15.8
173.09663	5.1
173.13324	17.3
175.07578	4.1
175.11201	5.7
175.14853	8.0
179.07072	3.7
179.10747	6.4
183.11711	8.9
185.13248	7.3
186.13857	3.7
187.11224	9.5
187.14833	12.9
189.09233	3.6
189.12764	8.8
189.16479	6.0
195.11537	3.8
197.13271	12.6
199.11211	4.3
199.14813	7.5
201.12762	7.5
201.16316	5.1
203.10825	4.0
203.14334	3.8
205.12209	3.9
205.15820	5.0
211.14919	8.4
213.16330	7.8
215.14388	9.5
215.18015	9.1
217.12224	12.8
219.13748	4.6
229.12126	6.1
231.13811	8.2
233.15334	6.3
235.13338	3.9
239.14282	4.5
239.17972	10.2
243.13770	16.4
245.15349	4.2
252.26646	3.6
253.19637	6.2
257.19009	11.3
261.14899	15.4
270.27954	5.9
271.20444	6.0
275.20065	24.4
281.19006	10.6
299.20059	45.1
317.21152	100.0
317.24667	10.0
317.28790	23.2
317.32520	9.8
318.21335	8.9
318.29953	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.03952	4.5
53.03931	9.0
55.05513	40.7
56.96548	13.4
57.07065	20.8
65.66475	4.2
67.05228	4.7
67.05508	51.1
69.03425	6.4
69.07066	45.0
70.06579	8.6
70.78207	15.9
70.78587	4.3
71.08620	9.2
73.23373	5.2
74.69985	4.5
79.05484	30.0
81.03408	13.7
81.07055	56.1
83.04965	10.1
83.08604	19.8
85.06549	8.7
85.51614	4.1
85.62228	5.1
88.07627	10.8
89.35489	4.8
91.05471	37.3
93.07056	44.5
95.04970	10.8
95.08601	68.3
97.06523	14.8
97.10160	12.8
99.96531	4.9
105.07029	49.3
107.04937	7.3
107.08589	62.6
109.06500	10.0
109.10149	44.1
111.04424	20.4
111.08046	12.4
112.38596	4.4
117.06966	10.9
119.08588	69.6
121.06451	6.4
121.10131	34.1
123.08041	19.0
123.11699	11.9
131.08554	25.3
133.10138	48.6
135.08078	13.5
135.11667	15.6
137.09607	34.6
141.07039	6.8
143.08553	16.3
145.10103	29.9
147.11699	35.6
149.13249	7.1
151.07535	7.8
151.11165	15.1
153.09099	5.2
154.94135	9.0
155.08492	6.0
157.10118	16.2
159.11691	25.2
161.13260	20.5
163.11194	8.5
163.14793	19.3
165.12711	7.3
169.10095	6.6
171.11630	14.0
172.95218	34.1
173.13231	15.5
175.14789	10.1
178.13379	5.5
179.10614	5.1
187.11205	10.3
187.14815	11.9
189.16313	7.3
190.96257	35.9
191.10757	6.4
197.13281	8.3
199.14832	6.8
200.64752	5.7
201.12656	6.6
205.12189	6.1
205.15668	5.9
213.12979	5.9
213.16341	7.1
215.17973	6.3
217.12128	6.3
225.12709	6.8
228.97813	15.4
229.12177	8.0
257.19016	13.8
271.20627	9.3
275.20056	20.2
281.18945	10.0
299.20062	51.6
316.99377	13.4
317.17773	4.7
317.21054	100.0
317.24783	21.7
317.32416	68.0
318.21231	10.1
335.00546	12.3
335.19055	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	317.211
Annotation	Bacillariolide I
Peak:m/z	Relative Intensity
50.08645	1.0
53.03937	3.3
55.01868	1.4
55.05509	15.2
57.03439	2.4
57.07067	4.5
59.05002	1.3
61.34163	1.1
65.03927	3.9
65.56639	1.2
67.05166	2.2
67.05506	36.1
69.03420	3.5
69.07066	17.2
71.04983	5.5
74.97311	1.1
79.05490	17.9
80.19772	1.2
81.03386	2.3
81.07058	39.6
83.04979	5.1
83.08616	9.0
85.02871	1.5
85.06545	12.9
86.92403	1.2
90.72247	1.2
91.05479	23.5
93.07040	43.0
95.04971	5.9
95.08604	59.9
96.05750	1.0
97.02885	5.3
97.06532	11.9
97.10150	6.2
98.20705	2.4
105.07028	40.8
107.04941	3.9
107.08592	69.6
109.06528	10.3
109.10156	54.9
109.10911	1.9
110.10498	1.1
110.24107	1.1
111.04446	28.8
111.08082	13.5
115.05441	1.2
117.07009	9.6
119.08575	59.6
119.84648	1.1
120.08916	1.8
121.06506	5.4
121.10145	37.5
123.08068	11.0
123.11700	15.0
125.05975	3.8
125.09666	3.1
126.47272	1.3
128.06204	1.4
129.06992	5.0
130.07764	1.7
131.08577	19.0
133.06480	4.3
133.10130	48.1
134.10480	2.0
135.08047	17.4
135.11668	16.0
137.05972	2.9
137.09621	32.9
137.13264	2.4
139.07535	4.0
141.06995	2.4
142.07782	2.7
143.08559	11.5
145.10117	25.7
147.08057	7.8
147.11688	25.0
147.12788	2.3
149.06097	1.6
149.09625	5.5
149.13239	8.7
151.07536	3.5
151.11186	23.9
153.09073	3.0
155.07263	1.5
155.08528	6.7
156.09331	2.6
157.10117	14.5
158.10861	1.5
159.08037	3.9
159.11696	27.6
161.09598	6.9
161.13255	16.9
163.07564	1.7
163.11188	7.5
163.14827	33.9
165.09120	3.7
165.12732	4.4
167.10724	1.6
168.09360	2.0
169.10132	6.8
170.10794	2.4
171.08020	1.5
171.11667	12.6
173.09613	6.6
173.13255	14.3
175.11153	5.7
175.14798	7.6
177.09154	2.0
177.12775	3.4
177.16328	1.8
178.13521	2.3
179.10678	4.1
181.10149	1.6
181.12230	2.2
182.10916	1.6
183.11719	11.3
185.09666	4.1
185.13278	7.6
186.13991	1.3
187.11176	15.0
187.14771	9.0
189.09067	1.7
189.12740	2.4
189.16354	6.3
191.10715	4.9
191.14340	2.8
193.12286	4.1
195.11717	2.6
197.09666	1.9
197.13248	7.4
199.11188	2.6
199.14838	7.3
201.09099	2.6
201.12756	5.8
201.16360	9.4
203.10750	3.1
203.14314	3.0
205.12196	9.4
205.15831	7.7
207.17419	3.4
209.13333	2.8
211.11232	2.7
211.14803	6.8
213.12810	3.0
213.16376	8.5
215.10759	2.5
215.14368	4.3
215.17937	7.7
217.12241	3.5
217.15977	1.5
219.13800	4.7
225.12779	4.3
225.16429	2.7
227.17932	2.6
229.12283	9.6
229.15817	2.2
229.19492	3.6
231.13768	3.7
233.15398	2.4
237.16441	3.5
239.14247	2.9
239.17947	6.9
241.15781	1.6
243.13803	5.5
245.15433	2.9
247.13316	1.8
247.16830	1.8
253.16153	1.1
253.17076	1.3
253.19490	7.8
255.17366	2.8
257.15436	3.6
257.19034	19.3
259.16949	3.4
263.17886	1.7
271.17563	2.1
271.20615	10.9
273.18478	3.3
275.20062	21.3
281.18951	10.5
289.21594	3.6
299.16620	2.7
299.20059	50.7
300.20328	3.7
312.02255	1.2
317.21136	100.0
317.24564	5.7
318.21484	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	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05502	13.6
57.07059	10.3
59.04990	8.3
64.61793	2.8
67.05169	4.7
67.05502	67.5
69.03413	4.7
69.07063	11.0
71.04516	2.2
71.04906	9.2
73.74636	2.9
79.05495	18.0
79.05879	2.9
81.07049	30.8
83.04975	6.7
83.08595	6.8
85.06589	4.0
91.05486	20.5
93.07060	25.6
95.04958	34.6
95.08620	23.3
97.06514	8.4
105.07034	22.1
107.08589	44.8
109.06508	25.2
109.10149	95.8
111.08120	3.1
117.07013	5.4
119.08579	67.2
121.06503	9.4
121.10117	7.0
123.08073	37.6
125.06010	3.0
129.07004	4.1
131.08551	11.4
133.06485	5.2
133.10118	8.7
135.08046	13.9
135.11636	4.1
137.06020	4.2
137.09613	84.7
138.09940	2.8
139.11194	3.2
143.04514	2.5
143.08571	5.5
145.10110	9.5
147.08069	6.9
147.11641	6.6
149.09644	7.9
150.45988	2.7
151.07536	87.4
152.07907	3.7
153.05461	5.3
157.10126	6.7
159.08055	3.8
159.11632	7.4
161.09624	11.6
161.13181	5.1
163.11168	6.8
165.09125	9.8
167.07069	3.4
171.11722	7.1
173.09540	4.5
173.13174	4.7
174.36353	2.6
175.11197	4.4
177.09093	4.2
181.08601	7.2
181.12283	3.1
183.11678	4.7
187.11195	3.2
189.12737	34.9
197.13242	4.3
199.11162	4.5
207.13777	26.0
215.14229	4.6
217.12190	3.0
219.13791	4.3
221.15422	6.3
225.12631	3.2
237.14836	7.0
243.13777	10.5
259.16791	3.7
261.14935	5.3
281.18991	3.8
296.02509	2.8
299.20023	10.4
317.21100	100.0
317.28860	4.0
318.21429	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	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03944	1.7
54.26461	1.8
55.01863	2.8
55.05507	15.2
57.07055	5.9
57.08246	1.8
59.04981	6.5
60.04510	8.1
63.81661	2.0
65.22923	1.8
67.05500	62.7
68.05811	2.2
69.03425	4.1
69.07048	7.4
70.12275	9.7
71.05001	2.9
72.04434	2.2
79.05486	12.0
81.03418	2.4
81.07051	30.7
83.08590	2.6
83.98471	1.7
89.48297	2.0
91.05459	14.8
93.07033	19.6
95.04969	27.4
95.08038	2.5
95.08597	23.8
96.48572	2.0
97.06516	7.8
101.40031	1.8
105.07022	16.4
107.04966	2.5
107.08585	40.4
109.06515	19.2
109.10150	100.0
115.05501	2.1
117.07001	5.9
119.08569	57.2
121.06498	4.8
121.10083	7.0
123.08065	27.3
127.63413	2.1
131.08546	9.1
132.80772	2.1
133.06493	2.7
133.10117	7.5
135.08049	13.1
135.11642	2.6
137.06010	3.2
137.09605	85.9
139.07564	3.0
143.08569	3.2
145.06499	2.5
145.10101	8.7
147.08084	6.6
147.11707	3.7
149.09605	7.8
151.07533	66.6
153.05460	4.2
156.09311	2.9
157.10083	4.1
159.11678	4.7
161.09581	7.7
163.11134	5.3
165.09137	6.7
167.06973	2.4
171.11662	5.2
173.13280	4.6
175.11293	2.6
177.09085	3.1
177.12805	2.6
181.08542	5.0
187.14755	2.3
189.12723	28.5
197.13161	3.7
199.11159	3.5
203.14291	2.4
207.13753	28.2
215.14259	4.4
217.12234	3.1
219.13832	3.0
221.15364	4.8
237.14809	5.4
241.15909	2.6
243.13721	9.8
261.14844	6.1
281.19162	4.2
299.20056	10.2
317.21109	74.3
317.28925	6.1
318.21335	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05499	2.4
56.05024	1.3
56.96556	7.1
57.03442	1.1
57.16480	0.9
58.35107	0.9
59.78252	0.9
60.04528	1.1
61.02928	1.8
69.03413	4.2
69.07043	2.0
70.06583	5.4
71.24651	2.2
71.25021	1.5
72.08155	12.2
73.02912	2.1
73.06544	1.4
74.02427	6.2
81.03413	1.8
82.60213	0.9
83.06089	2.4
84.04504	11.4
84.08147	23.0
85.02901	6.2
86.09705	100.0
87.05591	11.8
88.03995	3.0
93.45726	1.0
97.02883	5.7
98.97581	10.2
101.07137	2.4
102.05541	1.5
107.04936	1.4
110.97585	1.4
116.03510	2.0
116.98622	8.2
119.01874	2.5
127.03909	2.9
128.98593	3.8
129.10240	13.0
130.05016	7.5
130.08617	1.9
132.10176	1.0
133.06091	47.1
134.99678	5.7
136.06181	3.4
136.93098	1.8
141.06487	3.2
143.11737	6.6
146.04164	1.5
146.99615	3.1
147.07674	8.4
147.11272	1.4
154.94173	10.3
155.04596	6.3
155.99675	2.1
157.13367	47.5
158.99609	2.9
159.07588	1.2
161.01239	1.1
161.02953	1.4
161.65968	0.9
162.37749	1.0
164.05191	3.3
165.00832	1.3
169.06038	1.6
170.99573	1.3
171.11304	2.2
172.95253	39.0
174.00731	5.8
177.00713	5.8
177.02202	2.1
182.03343	2.0
185.12865	17.7
186.12395	1.3
189.00697	4.1
190.96307	31.2
196.95239	2.4
214.96307	26.4
215.07596	1.1
216.01843	3.2
219.01730	1.6
226.96281	2.7
227.06732	14.3
227.57010	3.4
232.97377	8.6
236.07381	5.6
237.02800	3.1
244.97391	9.7
246.02773	1.7
246.14571	3.3
256.97397	1.9
262.98468	1.8
274.98178	1.9
291.07523	1.0
299.17120	2.0
309.08478	4.2
316.99124	5.2
317.06699	1.8
317.11935	5.2
317.18195	1.2
317.21774	5.1
334.99954	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	317.1386
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.02380	1.0
53.03943	1.0
55.01862	3.1
56.05021	0.6
56.96558	1.5
61.47124	0.6
65.03950	1.6
67.05505	2.0
69.03425	1.8
69.07059	0.8
69.38986	4.8
70.06592	1.6
72.08134	0.7
77.03928	0.9
79.05079	0.6
79.05490	3.7
79.91663	0.8
81.03404	1.1
81.07051	2.3
84.04498	1.4
84.08121	1.6
85.02905	1.4
86.09705	3.5
91.05482	25.9
93.03450	0.8
93.07040	2.5
94.04195	2.5
95.04974	7.0
97.02910	1.0
98.97591	0.8
103.05476	5.3
104.59038	0.6
105.03390	1.0
105.07044	3.1
107.04964	6.0
107.08584	1.1
109.02869	1.2
109.06507	3.5
111.04436	1.9
115.05442	2.4
116.98619	0.9
117.07014	1.9
119.04955	12.9
119.08597	3.0
120.08099	1.3
121.02892	1.2
121.06509	14.3
122.03654	6.7
123.04432	12.3
127.03923	1.0
128.06192	5.4
129.07011	21.6
129.10243	1.1
131.04924	4.0
131.08557	1.9
132.05626	0.8
133.06520	1.7
134.03650	1.2
135.04413	7.1
135.08069	1.1
136.05211	1.7
137.05981	100.0
138.06293	0.8
139.07535	0.8
141.06973	1.0
143.04936	0.9
145.06465	3.7
145.10153	0.9
146.03642	0.9
147.04419	19.1
147.08046	6.6
147.11702	0.7
149.04779	1.2
149.05986	25.6
149.13156	0.7
150.06757	5.5
151.03934	2.4
151.07545	64.6
152.06227	2.3
153.01826	2.7
153.07013	3.2
154.07753	1.1
155.08571	3.0
157.06502	12.2
160.05162	2.1
161.05997	5.6
161.13300	0.8
163.07553	4.3
165.05659	0.5
165.07004	14.9
167.07211	1.0
167.08553	6.3
168.05801	1.4
169.06479	2.5
171.04352	1.1
173.13281	0.8
174.06790	1.6
175.07552	35.8
177.05522	1.7
177.06932	1.4
177.09158	0.7
178.07809	4.8
179.08615	1.9
181.06476	3.3
182.07295	3.8
183.08086	3.4
185.06064	0.8
187.07558	0.8
189.09087	1.6
192.09480	0.7
193.06538	8.3
193.08585	2.3
193.10162	5.8
194.07230	1.2
195.08041	10.5
197.05978	4.3
197.09720	1.0
198.06764	1.3
202.07829	1.3
203.08533	1.9
206.07358	2.0
207.08034	1.5
209.05960	1.6
209.09587	1.2
210.06802	8.0
211.07530	11.9
212.08232	1.2
213.05591	0.7
213.09154	8.6
215.07082	0.8
220.08830	0.7
221.06017	11.4
221.09579	9.3
222.06419	0.7
223.07591	4.2
224.08321	1.4
225.05608	1.3
225.09062	8.1
226.06206	1.0
227.07056	1.5
227.10683	2.8
228.07703	0.8
229.04991	1.0
234.07011	0.9
237.08914	1.5
238.06248	3.8
238.09953	1.2
239.07036	10.3
239.10687	2.0
240.07762	2.3
241.08667	8.0
243.06630	0.8
245.04512	2.6
249.09102	3.7
253.08640	11.7
253.12241	8.6
255.06531	2.8
255.10139	1.7
256.07358	2.2
258.08902	4.2
263.10541	0.8
266.09378	1.1
267.10162	2.5
269.08307	0.9
270.08884	2.8
271.09634	28.5
273.03839	1.0
273.11227	14.5
274.04892	0.8
281.11621	3.8
285.04041	1.3
287.12802	1.4
299.09357	2.0
299.12778	15.4
302.04166	4.0
317.02887	1.0
317.06577	15.5
317.13364	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.05004	0.8
56.96568	1.9
60.04511	0.9
60.92428	0.6
61.02911	0.7
67.05502	0.7
69.03426	1.2
69.07058	2.3
70.06583	3.3
70.21107	3.1
72.08163	3.5
73.08490	0.7
79.05450	0.9
81.03394	0.7
81.07078	0.8
83.37709	0.6
84.04501	3.7
84.08135	2.7
85.02892	1.8
85.11880	0.7
86.09718	5.3
87.10034	0.8
91.05475	0.7
93.07030	0.9
97.02905	1.5
98.97546	1.2
102.05515	0.7
107.04942	0.9
109.02899	0.7
109.10146	3.1
115.61013	0.7
116.07094	3.8
116.98579	1.0
117.07384	1.1
121.06473	0.7
128.98563	0.7
129.10249	2.4
134.99638	0.9
137.05951	1.6
143.01953	0.6
149.07495	0.8
151.03812	0.8
152.10696	1.3
153.01811	2.2
155.06796	13.4
170.11787	1.5
173.12846	1.3
174.13155	1.3
185.04224	10.7
188.12833	4.6
203.05251	4.7
221.05063	1.0
229.04868	0.8
236.06030	0.8
237.02846	1.1
254.13860	1.7
274.04651	0.9
285.03983	1.2
288.40479	0.6
292.94855	0.6
302.04202	3.5
317.06628	13.9
317.12061	100.0
317.21722	2.1
318.12408	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	Pochonin F
Peak:m/z	Relative Intensity
51.02371	2.2
53.03936	4.7
55.01873	6.9
55.05506	4.0
56.96546	1.7
57.03427	1.2
65.03927	4.1
67.05509	20.8
69.03429	4.1
69.07060	10.1
70.52232	3.9
79.05491	84.4
79.33508	1.1
81.03416	54.7
81.07055	7.3
91.05477	40.6
93.03390	5.1
93.07048	32.9
95.01343	2.9
95.04964	37.1
95.08601	3.8
97.02917	1.2
97.06535	4.4
103.04852	1.2
103.05462	5.1
105.04540	1.9
105.07029	38.6
107.04957	24.6
107.08591	55.2
109.06520	5.1
109.10197	1.5
115.05452	3.8
117.07018	12.2
119.04942	2.0
119.08582	20.5
119.09427	1.5
121.02877	17.4
121.06503	41.1
121.10202	1.3
123.04465	2.0
125.05997	2.1
127.03961	2.3
128.06212	7.7
129.07014	11.5
130.07768	2.3
131.04930	5.4
131.08575	14.5
133.06474	10.6
133.10141	29.6
135.08063	1.7
137.05981	3.6
141.06958	6.6
142.07774	2.9
143.08553	24.6
145.06473	15.2
145.10118	13.1
147.04424	8.1
147.08049	5.4
149.05984	12.1
149.09581	1.9
151.07532	4.5
153.01833	18.1
153.07056	3.6
154.07736	2.2
155.08551	7.2
157.06509	4.0
157.10135	12.2
159.08049	23.9
159.11691	5.1
161.05980	73.0
161.09618	100.0
165.07028	4.1
166.07693	1.9
167.07181	1.9
167.08589	9.8
168.09384	2.6
169.06450	3.6
169.10129	5.2
170.07286	1.2
171.08060	11.5
171.11703	2.9
173.05983	1.9
173.09648	7.1
175.07567	3.8
175.11069	1.4
177.09138	3.7
178.07773	1.9
179.08589	4.1
181.06616	1.4
181.10120	6.5
182.07233	1.6
182.10899	2.7
183.08055	7.0
183.11717	5.7
185.06004	1.9
185.09612	7.5
187.07571	3.0
187.11101	1.6
191.08537	2.1
192.09328	6.1
193.10097	5.3
195.08063	6.7
195.11668	2.5
197.09587	3.9
197.13284	6.8
199.07539	2.4
199.11153	2.3
199.14825	1.6
201.05504	1.7
202.07800	3.5
203.10730	3.3
205.08603	3.5
207.08151	1.2
207.11650	10.8
209.09624	4.3
209.13216	2.7
210.10364	2.4
211.07588	2.9
211.11139	9.5
213.09171	1.2
213.12563	1.3
217.10139	3.5
219.11720	1.1
220.08931	3.4
225.09215	1.8
225.12752	21.7
227.10677	1.7
227.14322	3.4
235.11137	19.5
237.09041	2.8
237.12744	10.8
238.09729	1.3
239.10670	1.3
253.12228	28.1
255.10097	1.8
255.13748	6.0
257.11737	1.7
271.13297	56.5
281.11691	21.4
299.12775	53.4
300.13086	1.4
303.04831	1.4
317.06464	3.6
317.13840	42.7
317.21069	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	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.20584	0.4
56.96571	1.9
67.05502	0.4
69.07068	0.5
70.28452	0.4
81.07031	1.4
83.08570	0.4
84.02039	0.4
91.05495	0.7
93.06998	0.6
95.08593	0.8
98.97570	2.2
99.00826	0.4
105.06963	0.5
107.08556	0.7
110.97600	0.4
116.54330	0.4
116.98600	1.5
119.08569	0.6
124.01511	0.8
128.98615	0.7
131.08461	0.5
133.02803	0.6
134.99680	0.8
137.05930	0.5
145.10071	0.5
146.99670	0.9
147.04393	0.5
149.05962	0.6
150.03123	10.7
151.78799	0.5
153.01822	19.4
170.02071	0.5
171.02914	0.5
186.01569	0.5
187.23534	0.5
190.06226	0.4
200.04773	0.7
203.03441	1.4
215.07539	0.5
217.04916	1.8
228.04184	0.9
229.04970	0.6
237.02850	0.9
245.04439	1.7
256.03696	0.5
266.07004	0.8
273.03986	0.7
274.04663	2.9
275.07446	0.8
281.07568	0.6
284.03070	0.7
284.08047	1.0
285.03952	3.6
299.05801	0.5
301.03323	2.4
302.04208	87.3
303.04614	1.5
317.06558	100.0
317.21130	1.1
318.06955	2.4
335.13754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86861	0.2
59.60058	0.1
65.03931	1.0
67.01883	0.2
68.99797	0.5
69.03428	0.2
69.61383	0.9
69.61792	0.2
70.06596	0.4
81.03448	0.2
84.04493	0.3
84.08141	0.7
86.09692	0.2
91.83742	0.2
92.02621	3.1
93.03410	3.0
94.04211	0.2
95.04955	0.3
100.29456	0.2
106.73238	0.2
107.04903	0.2
107.56339	0.2
109.02870	0.4
111.00803	0.3
121.02871	2.1
121.06516	0.2
122.03630	0.2
123.04400	0.2
126.03143	1.2
131.04932	0.3
133.02850	0.3
135.04398	0.3
137.02367	0.7
137.05954	0.6
138.37665	0.2
139.03911	1.7
145.06467	0.5
147.04320	0.2
151.03900	1.6
151.07608	0.2
152.01068	0.2
153.01823	17.7
155.04807	0.2
161.05861	0.2
163.03940	0.5
165.01833	1.2
166.02650	0.4
170.02129	0.3
173.05989	0.4
174.90175	0.2
177.05493	0.4
179.03459	0.4
183.02892	0.3
183.04422	0.4
187.03925	0.3
190.06200	0.3
192.04190	0.2
200.04727	0.7
201.05432	1.5
203.03400	1.5
204.04135	0.4
211.03781	0.2
217.04973	2.8
218.05739	1.0
219.02863	0.5
228.04144	3.6
229.04950	7.4
231.02856	1.0
232.03706	0.2
243.06383	0.3
245.02452	0.1
245.04445	4.5
246.05219	3.2
256.03720	0.5
257.04446	4.6
258.27814	0.2
260.03305	1.0
261.07581	0.4
271.06042	0.3
273.03955	3.1
274.04724	6.4
275.05280	0.2
284.03143	1.1
285.03940	8.0
286.04657	0.3
287.01880	0.4
288.06119	0.3
289.06781	0.2
301.03427	0.5
302.04205	23.1
303.04471	0.3
317.06546	100.0
318.06927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.86861	0.2
59.60058	0.1
65.03931	1.0
67.01883	0.2
68.99797	0.5
69.03428	0.2
69.61383	0.9
69.61792	0.2
70.06596	0.4
81.03448	0.2
84.04493	0.3
84.08141	0.7
86.09692	0.2
91.83742	0.2
92.02621	3.1
93.03410	3.0
94.04211	0.2
95.04955	0.3
100.29456	0.2
106.73238	0.2
107.04903	0.2
107.56339	0.2
109.02870	0.4
111.00803	0.3
121.02871	2.1
121.06516	0.2
122.03630	0.2
123.04400	0.2
126.03143	1.2
131.04932	0.3
133.02850	0.3
135.04398	0.3
137.02367	0.7
137.05954	0.6
138.37665	0.2
139.03911	1.7
145.06467	0.5
147.04320	0.2
151.03900	1.6
151.07608	0.2
152.01068	0.2
153.01823	17.7
155.04807	0.2
161.05861	0.2
163.03940	0.5
165.01833	1.2
166.02650	0.4
170.02129	0.3
173.05989	0.4
174.90175	0.2
177.05493	0.4
179.03459	0.4
183.02892	0.3
183.04422	0.4
187.03925	0.3
190.06200	0.3
192.04190	0.2
200.04727	0.7
201.05432	1.5
203.03400	1.5
204.04135	0.4
211.03781	0.2
217.04973	2.8
218.05739	1.0
219.02863	0.5
228.04144	3.6
229.04950	7.4
231.02856	1.0
232.03706	0.2
243.06383	0.3
245.02452	0.1
245.04445	4.5
246.05219	3.2
256.03720	0.5
257.04446	4.6
258.27814	0.2
260.03305	1.0
261.07581	0.4
271.06042	0.3
273.03955	3.1
274.04724	6.4
275.05280	0.2
284.03143	1.1
285.03940	8.0
286.04657	0.3
287.01880	0.4
288.06119	0.3
289.06781	0.2
301.03427	0.5
302.04205	23.1
303.04471	0.3
317.06546	100.0
318.06927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05498	0.1
56.96563	0.1
65.03940	0.9
67.01857	0.1
67.05501	0.2
68.99775	0.5
69.03416	0.3
69.88718	0.6
79.05484	0.1
81.03416	0.2
81.07053	0.2
82.04195	0.1
85.02915	0.2
91.05466	0.2
92.02623	3.8
93.03407	3.4
94.04184	0.2
95.01315	0.1
95.04954	0.3
95.08531	0.1
97.02914	0.1
100.11256	0.1
105.07011	0.2
107.04951	0.4
107.08614	0.1
109.02864	0.4
109.06499	0.1
111.00806	0.4
111.04461	0.1
115.05436	0.1
117.07039	0.1
120.02071	0.2
121.02866	2.5
122.03642	0.3
124.01564	0.2
126.03152	1.4
131.04932	0.3
133.02864	0.2
133.06500	0.3
135.04349	0.1
137.02348	0.7
137.05980	0.2
138.03139	0.1
139.03894	1.6
145.06508	0.3
147.04387	0.2
148.05092	0.1
149.02365	0.2
149.09485	0.1
150.03117	0.2
151.03922	1.4
151.05109	0.2
152.01141	0.1
153.01826	19.4
154.02144	0.1
155.04927	0.3
157.06454	0.1
159.04538	0.1
161.06009	0.2
162.03224	0.1
163.03926	0.4
165.01831	1.0
166.02632	0.4
170.02029	0.2
171.02798	0.1
172.05197	0.2
173.05995	0.4
173.51663	0.1
175.07562	0.1
176.04681	0.3
177.01889	0.2
177.05502	0.6
179.03380	0.4
183.02879	0.4
183.04422	0.3
184.05150	0.1
187.03894	0.4
189.05507	0.3
189.76601	0.1
190.06253	0.2
191.03421	0.1
192.04153	0.2
200.04686	0.7
201.05492	1.8
203.03384	1.9
204.04189	0.2
205.04843	0.1
211.03862	0.2
213.05441	0.1
215.06865	0.1
217.04976	3.6
218.02390	0.1
218.05759	1.4
219.02887	0.7
220.03589	0.1
228.04166	4.5
229.04958	8.8
230.05670	0.1
231.02859	1.4
232.03627	0.3
233.04431	0.2
239.03294	0.3
243.02869	0.1
243.06598	0.2
245.04456	4.7
246.05241	3.7
247.02382	0.1
256.03662	0.7
257.04449	5.0
258.05051	0.2
259.02371	0.2
260.03180	0.8
261.07620	0.6
271.05899	0.5
273.03918	3.6
274.04724	6.9
284.03110	0.9
285.03940	8.6
286.04581	0.3
287.01910	0.3
288.06265	0.5
299.05527	0.1
301.03418	0.4
302.04214	23.4
303.04587	0.3
317.06552	100.0
318.06940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
65.03946	1.0
67.05486	0.2
68.99792	0.5
69.03432	0.8
70.02243	0.7
73.02895	0.2
79.05491	0.2
81.03412	0.6
85.02912	0.4
86.09692	0.4
92.02626	3.7
93.03406	2.9
95.01324	0.2
95.04958	0.4
97.02903	1.9
99.83280	0.1
101.00880	0.4
105.03394	0.1
107.04954	10.8
108.05282	0.5
109.02883	0.9
111.00835	0.5
119.01926	0.9
121.02850	2.3
122.03676	0.2
124.01559	0.3
126.03158	1.3
127.03929	0.3
129.06979	0.2
131.01889	0.4
131.04997	0.2
133.97891	0.1
137.02324	0.6
138.03131	0.1
139.03935	1.4
143.01930	0.3
145.03499	0.2
145.06538	0.3
149.02315	0.1
151.03902	1.5
153.01828	18.7
155.01851	0.3
155.04886	0.4
155.06088	0.2
157.03679	0.2
157.13289	0.2
160.02202	0.2
161.02977	0.7
162.03116	0.1
163.03908	0.3
165.01845	1.0
165.04002	0.2
166.02603	0.3
170.02054	0.3
171.43759	0.1
173.02965	0.3
173.05969	0.4
177.01849	0.2
177.05475	0.3
179.03400	0.4
183.02887	0.4
183.04378	0.3
185.02922	0.3
187.03882	0.4
189.05478	0.3
190.06216	0.2
191.03395	0.2
192.04187	0.2
193.14445	0.2
200.04721	0.7
201.05453	1.6
203.03409	1.5
204.04115	0.2
207.05055	0.3
211.03911	0.2
217.04976	3.6
218.05756	1.7
219.02843	0.6
221.04919	0.2
227.03647	0.2
228.04173	3.9
229.04958	7.9
230.05611	0.3
231.02835	1.2
232.03632	0.2
235.04483	0.2
239.03505	0.2
243.06575	0.5
245.04507	4.2
246.05215	3.3
251.92851	0.2
253.05544	1.0
254.05774	0.2
256.03683	0.6
257.04443	5.5
258.05045	0.2
259.02393	0.2
260.03156	0.7
261.07538	0.6
267.02844	0.2
267.07224	0.3
271.06296	0.5
273.03928	3.9
274.04721	7.7
279.07025	0.2
284.03119	1.1
285.03946	7.9
286.04486	0.3
287.01859	0.3
288.06235	0.3
295.06677	0.2
301.03366	0.4
302.04205	22.4
303.04532	0.3
317.06549	100.0
318.06897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03931	0.3
65.03946	1.0
67.05486	0.2
68.99792	0.5
69.03432	0.8
70.02243	0.7
73.02895	0.2
79.05491	0.2
81.03412	0.6
85.02912	0.4
86.09692	0.4
92.02626	3.7
93.03406	2.9
95.01324	0.2
95.04958	0.4
97.02903	1.9
99.83280	0.1
101.00880	0.4
105.03394	0.1
107.04954	10.8
108.05282	0.5
109.02883	0.9
111.00835	0.5
119.01926	0.9
121.02850	2.3
122.03676	0.2
124.01559	0.3
126.03158	1.3
127.03929	0.3
129.06979	0.2
131.01889	0.4
131.04997	0.2
133.97891	0.1
137.02324	0.6
138.03131	0.1
139.03935	1.4
143.01930	0.3
145.03499	0.2
145.06538	0.3
149.02315	0.1
151.03902	1.5
153.01828	18.7
155.01851	0.3
155.04886	0.4
155.06088	0.2
157.03679	0.2
157.13289	0.2
160.02202	0.2
161.02977	0.7
162.03116	0.1
163.03908	0.3
165.01845	1.0
165.04002	0.2
166.02603	0.3
170.02054	0.3
171.43759	0.1
173.02965	0.3
173.05969	0.4
177.01849	0.2
177.05475	0.3
179.03400	0.4
183.02887	0.4
183.04378	0.3
185.02922	0.3
187.03882	0.4
189.05478	0.3
190.06216	0.2
191.03395	0.2
192.04187	0.2
193.14445	0.2
200.04721	0.7
201.05453	1.6
203.03409	1.5
204.04115	0.2
207.05055	0.3
211.03911	0.2
217.04976	3.6
218.05756	1.7
219.02843	0.6
221.04919	0.2
227.03647	0.2
228.04173	3.9
229.04958	7.9
230.05611	0.3
231.02835	1.2
232.03632	0.2
235.04483	0.2
239.03505	0.2
243.06575	0.5
245.04507	4.2
246.05215	3.3
251.92851	0.2
253.05544	1.0
254.05774	0.2
256.03683	0.6
257.04443	5.5
258.05045	0.2
259.02393	0.2
260.03156	0.7
261.07538	0.6
267.02844	0.2
267.07224	0.3
271.06296	0.5
273.03928	3.9
274.04721	7.7
279.07025	0.2
284.03119	1.1
285.03946	7.9
286.04486	0.3
287.01859	0.3
288.06235	0.3
295.06677	0.2
301.03366	0.4
302.04205	22.4
303.04532	0.3
317.06549	100.0
318.06897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.64627	0.5
53.03939	0.6
55.05513	4.4
56.05035	4.1
57.03437	1.0
57.07073	1.6
60.04526	100.0
67.05505	9.6
68.05042	0.8
69.07068	5.0
70.06590	0.9
71.08632	0.7
71.20525	0.7
71.20871	0.8
72.04521	1.6
74.06084	2.5
74.46741	0.5
79.05508	3.2
80.05006	1.0
81.07058	8.0
81.08971	0.5
82.06583	1.6
83.04991	0.6
83.08632	2.7
84.04521	0.7
84.08092	0.5
87.04461	1.1
90.05573	1.3
91.05494	2.4
93.07037	3.4
94.06535	0.5
95.04965	0.9
95.08613	7.3
96.08149	0.9
97.06561	0.9
97.10176	1.8
102.05522	0.6
102.53668	0.5
105.07044	1.6
107.08547	2.4
108.72369	0.5
109.06500	0.7
109.10142	4.1
111.08031	0.9
119.08594	2.1
121.10144	2.2
123.11730	0.8
125.13265	0.5
133.10110	1.1
135.11684	0.7
137.09596	1.9
151.07581	1.5
207.13718	0.9
212.23740	0.7
216.10893	0.5
250.25294	1.3
262.25336	1.4
280.23264	0.8
280.26355	13.9
281.26624	0.9
298.24048	0.9
298.27386	13.3
316.28458	35.8
317.21210	2.5
317.28812	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Ala Leu Leu
Peak:m/z	Relative Intensity
53.03946	0.5
55.05518	1.0
56.96571	0.9
67.05495	1.2
69.03423	0.8
70.06610	1.5
70.65993	1.7
72.08158	0.8
79.05486	1.3
81.03423	1.1
81.07062	1.6
84.04459	0.7
84.08143	1.3
85.02904	0.8
85.19446	0.5
86.09710	100.0
87.10067	1.5
89.93118	0.5
91.05501	1.8
95.04974	1.0
95.08652	0.5
98.97547	0.7
107.04967	1.0
109.02865	0.9
116.04994	0.7
120.08109	0.7
127.03910	0.9
132.10199	6.1
137.05952	1.4
138.60852	0.7
153.01878	1.7
157.13370	56.3
158.13699	1.0
172.03935	1.2
185.12854	19.9
203.13976	1.3
229.05031	0.6
241.22398	0.7
245.18677	3.5
272.18671	1.9
273.14832	0.9
285.03967	1.1
302.04282	2.5
317.06573	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	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05510	5.0
55.51278	0.4
56.05032	4.3
56.96566	0.8
57.03429	0.7
57.07076	3.1
58.06581	0.4
60.04523	100.0
61.04840	0.8
63.12599	0.4
67.05500	10.1
68.05025	0.9
69.07065	5.1
70.06590	1.1
71.08637	1.0
71.30345	0.5
71.30688	0.8
72.04513	2.7
74.06075	2.3
79.05486	3.9
80.05014	1.1
81.03425	0.5
81.07049	8.7
82.06589	1.5
83.04980	0.8
83.08619	3.8
86.06067	0.5
87.04458	4.1
88.07641	1.2
90.05569	1.4
90.76948	0.4
91.05472	3.4
93.07043	4.2
94.06578	1.2
95.04964	1.3
95.08607	9.3
95.58629	0.4
96.08135	0.7
97.06541	0.7
97.10182	1.6
100.07625	0.4
102.09185	0.4
105.07021	1.8
107.08599	2.3
108.08155	0.5
109.06551	0.9
109.10145	5.5
109.82060	0.4
111.11709	0.9
112.07578	0.5
116.07095	0.6
119.08569	3.0
121.10147	1.7
123.08081	0.9
123.11721	0.7
130.72340	0.6
133.10139	1.6
135.08096	0.5
135.11688	1.0
137.09634	2.6
137.13260	0.8
147.11696	0.9
151.07573	1.6
189.12700	0.8
189.76242	0.5
193.24965	0.5
207.13892	0.9
250.25238	1.3
256.26376	1.4
262.25314	1.7
263.23813	0.7
268.26517	0.7
280.26343	11.9
281.26666	0.5
293.14578	0.6
298.27386	13.1
299.20157	0.9
299.27615	0.7
316.28442	36.3
317.21005	2.2
317.28757	1.7
325.28391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
55.49829	0.8
56.05033	2.6
57.05815	1.1
57.49492	0.8
60.04523	5.1
67.05505	1.1
69.03429	1.8
69.07066	7.7
69.95412	4.6
70.06590	16.5
71.04980	1.0
72.08153	89.8
74.06087	2.4
81.03448	0.9
81.07068	1.9
84.04498	5.3
84.08131	6.8
85.02913	2.2
85.06557	1.1
86.09702	100.0
87.05609	3.3
87.10036	1.8
88.04014	1.1
96.08120	1.1
97.02908	2.6
99.04478	2.3
105.78330	0.9
107.04970	1.9
108.08112	1.4
110.07152	1.1
115.03935	1.4
115.99189	0.8
116.07084	26.1
118.08669	1.5
121.06534	1.1
123.04434	0.8
125.85782	1.0
126.29515	0.8
128.10762	1.7
129.10242	3.6
134.99629	0.9
136.06161	5.8
137.06023	1.1
151.03880	1.2
153.01790	2.8
154.07425	1.1
154.08630	4.5
155.06825	6.4
159.06523	3.3
171.14929	28.9
173.12833	10.6
173.14044	1.2
176.09216	1.5
185.04236	4.8
185.05736	0.9
190.96436	1.0
199.14409	14.8
199.18045	20.2
199.19745	1.7
201.12395	2.2
203.05344	2.5
203.13921	5.4
216.12332	6.8
217.15497	2.6
227.17480	8.8
245.04494	1.2
257.04425	1.0
285.03979	1.0
292.99500	1.0
302.04160	3.5
316.17807	1.8
316.21173	9.4
317.06549	13.1
317.12079	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	316.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19162	0.3
55.05515	0.4
56.05034	0.6
56.96553	0.5
67.05489	0.5
69.07064	6.5
69.29234	0.4
70.06590	1.2
71.59090	0.4
71.59503	0.6
72.08161	0.5
81.03424	0.4
81.07043	0.7
84.04517	0.6
84.08148	0.7
85.02877	0.4
86.09703	100.0
87.10032	1.3
88.04070	0.3
89.07182	0.5
91.05482	0.8
92.02646	0.6
93.03385	0.5
93.06995	0.4
95.08578	0.4
109.02876	0.4
112.31962	0.3
115.05447	0.3
116.98678	0.4
129.10182	0.5
130.06546	0.4
132.10196	6.5
137.05998	1.0
151.03937	0.4
153.01813	2.9
157.13358	42.2
158.13704	1.3
163.03915	0.5
165.02045	0.4
180.09009	0.4
185.12842	17.9
201.05487	0.5
203.13910	5.5
204.14296	0.5
217.04984	0.8
229.05025	1.0
233.99155	0.3
245.04576	0.8
245.18744	0.7
257.04471	0.5
273.03931	0.9
274.04736	1.3
285.03958	1.3
298.11792	0.4
302.04245	3.6
304.09705	0.4
316.22162	0.4
317.06555	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	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03934	7.3
55.01861	4.4
55.05507	12.1
56.96556	1.5
57.03432	2.1
57.07069	2.1
60.04515	2.1
65.03918	4.0
67.05499	35.0
69.03407	4.6
69.07049	14.4
71.04990	3.4
71.41777	1.6
77.03970	1.2
79.05486	39.1
81.03413	93.4
81.07052	42.5
83.04977	6.3
83.08606	5.3
91.05474	31.8
91.05909	0.7
93.03385	1.2
93.06462	2.7
93.07040	52.9
95.04965	65.3
95.08599	37.1
97.06517	11.1
97.10150	5.0
101.57481	1.1
103.05470	1.5
105.07025	40.9
107.04943	9.9
107.08587	27.9
109.06514	10.8
109.10151	18.5
111.04432	3.6
111.08085	4.2
115.05379	1.2
116.06226	1.4
117.07021	14.5
119.04948	1.9
119.08569	28.2
121.06505	15.0
121.10138	16.9
123.08056	10.7
123.11685	7.0
125.05984	14.9
125.09586	2.1
128.06209	3.8
129.07010	10.5
130.07768	1.4
131.04948	1.7
131.08551	24.8
133.06474	7.2
133.10117	20.1
135.04404	2.1
135.08060	27.1
135.11656	10.0
137.05983	7.4
137.09605	6.2
139.07533	5.4
139.11188	2.6
141.06989	3.4
142.07799	1.7
143.08537	12.0
145.01018	1.2
145.06506	4.1
145.10115	22.2
146.71732	1.3
147.08061	7.7
147.11668	11.0
149.05975	2.7
149.09607	22.1
149.13261	4.6
151.07568	7.0
151.11131	9.0
151.14880	1.4
155.08549	6.2
157.06499	2.1
157.10126	10.1
159.08037	2.3
159.11687	17.1
161.09619	10.8
161.13206	3.9
163.07520	2.5
163.11140	6.6
163.14787	1.3
165.09126	5.3
165.12703	2.5
167.08569	3.7
169.10120	7.6
171.08095	2.0
171.11710	8.5
173.09647	4.8
173.13263	7.5
175.07559	3.2
175.11186	6.4
175.14818	10.7
177.09212	1.6
177.12761	14.4
179.10689	2.4
180.09319	1.5
181.10115	5.5
182.10760	1.3
183.11664	4.2
185.09647	3.2
185.11794	1.1
185.13309	6.2
187.07579	1.6
187.11180	5.3
187.14751	8.0
189.12770	4.3
191.10646	1.6
191.14328	4.6
193.10124	2.3
193.12386	1.5
195.11685	7.7
197.09563	1.2
197.13261	4.7
199.11165	3.3
199.14786	3.7
201.09036	3.1
201.12767	2.8
201.16423	2.9
203.12590	1.8
203.14316	5.8
209.09590	1.4
209.13206	4.9
211.11301	1.7
211.14832	2.3
213.12805	3.9
213.16376	3.4
215.14275	1.7
216.89214	1.2
217.12260	1.9
219.10124	2.0
219.13933	1.3
221.15315	3.0
223.11252	2.1
223.14832	3.9
225.16388	4.2
227.10690	2.7
227.14351	3.6
227.17921	2.4
229.15845	1.7
233.15292	2.8
236.15515	1.2
237.27637	1.6
239.14325	1.6
241.12299	3.5
241.15843	2.7
241.19424	5.6
247.16896	2.1
251.17964	14.9
253.15825	2.1
255.13806	1.8
255.17302	2.1
257.15536	1.6
259.17029	1.4
261.16360	1.3
261.21985	2.9
269.18979	43.9
270.19272	1.4
271.17047	3.2
279.17459	11.4
279.23196	8.1
287.20209	3.9
297.18497	50.4
298.18842	2.2
315.19547	100.0
316.19843	4.2
316.28592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1337
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
55.05498	1.3
56.96544	1.4
61.44761	0.8
65.03920	1.1
67.05511	3.4
67.48651	0.7
69.03419	1.2
69.42049	4.6
69.42453	1.7
78.04697	0.9
79.05492	4.3
81.03393	1.1
81.07040	2.0
83.04947	0.9
85.02889	1.5
91.05473	4.1
92.06264	2.6
93.07031	2.4
94.06542	6.5
95.04975	1.9
95.08614	1.2
96.08116	1.9
97.06532	0.9
98.20778	1.3
98.97580	1.2
101.94896	0.9
103.05432	0.7
104.04987	12.8
105.05765	1.3
105.07057	1.7
106.06567	4.5
107.07330	1.6
116.55690	0.8
118.06533	5.0
119.06563	0.9
119.07323	7.7
119.08564	1.5
120.05723	1.4
120.08092	3.2
121.10099	0.9
122.06030	5.6
122.09676	1.3
122.72937	0.7
124.03934	1.8
124.07589	11.8
130.06511	1.1
134.05962	1.5
134.99641	1.1
135.08069	0.8
136.07559	2.5
137.05960	1.1
138.05495	3.4
146.05975	2.8
147.06801	8.8
147.07919	1.4
148.07549	3.0
150.05493	3.5
150.09065	0.9
152.07060	3.2
157.08876	0.7
161.05930	1.1
162.05463	2.4
164.07063	3.9
165.07857	1.8
166.08664	3.0
168.06573	19.2
177.00623	0.7
180.04959	1.0
180.06560	19.8
182.09645	1.4
184.11284	1.3
185.10739	2.3
192.06548	35.7
192.10153	3.4
193.07335	5.2
194.08144	8.9
198.09135	1.1
199.08667	1.3
199.12349	2.5
200.10753	0.9
210.09171	2.0
211.09984	1.7
212.09392	1.6
213.10260	10.2
214.10938	1.9
225.10089	1.0
226.10965	1.0
227.08307	1.0
227.11745	9.2
228.12514	2.3
235.08806	0.7
238.08606	0.8
240.08928	2.5
241.09715	33.6
241.13370	1.3
242.10304	2.4
243.11301	1.5
244.13316	2.7
245.12830	1.0
252.12560	0.9
253.13371	1.3
254.10371	1.1
255.11330	11.5
256.12021	2.7
259.14352	3.8
269.12885	0.9
270.11203	2.1
271.10605	1.8
272.11740	1.6
273.12384	8.1
283.09647	0.8
285.12372	1.2
287.13870	14.3
297.12308	2.5
298.13309	0.9
299.10233	6.1
300.11050	26.6
315.13382	100.0
316.13696	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2689
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
52.60999	0.8
52.78943	0.8
53.03956	0.9
55.05507	4.8
56.05043	4.3
56.96558	3.2
57.07064	2.9
58.71445	0.8
60.04526	100.0
65.03944	1.0
67.05503	12.6
68.05013	0.8
69.07079	6.5
70.29999	1.7
71.08616	1.6
72.04514	9.9
74.06060	1.2
79.05486	8.6
80.05002	1.7
81.03401	1.2
81.07050	10.5
82.06594	1.7
83.08617	3.7
85.10184	1.0
86.06039	1.2
90.05560	2.6
91.05492	5.8
93.07049	11.0
93.37864	0.8
94.06573	2.3
95.04947	2.3
95.08602	8.7
97.02888	0.9
97.10207	1.1
98.21561	0.9
98.97571	1.4
105.07014	3.8
106.06515	0.7
107.08578	3.7
108.08115	1.0
109.10164	3.2
110.06046	1.0
111.11692	1.1
115.05456	1.1
116.98629	2.1
117.07004	2.2
119.08559	2.8
120.08125	1.0
121.06470	1.3
121.10139	3.8
123.08072	0.8
123.11664	1.7
128.07074	1.3
131.08536	1.9
133.10155	1.6
134.99652	2.7
135.08081	0.9
135.11674	2.2
141.77023	1.0
145.10069	2.5
149.13240	1.2
217.53525	1.0
237.68797	1.0
247.08430	0.8
248.23665	1.5
260.23691	1.9
261.22015	1.1
277.96255	0.9
278.24768	6.7
296.25790	11.9
314.26889	47.2
315.07767	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96559	4.8
57.07085	1.4
60.04527	2.1
67.05492	2.5
71.59698	1.4
79.05482	3.4
81.07045	3.8
84.62697	1.1
85.06666	1.2
91.05482	3.7
91.88808	1.1
93.07069	2.7
95.01983	1.2
95.04977	1.8
95.08621	1.6
97.06529	2.3
98.14702	1.1
98.97581	3.8
105.07018	2.1
107.08595	1.8
109.10167	1.4
116.98624	5.7
117.06989	1.4
119.08619	1.5
134.99657	4.8
135.08052	2.9
147.08049	1.7
159.03313	2.4
159.11679	1.6
161.09637	1.9
167.03493	1.2
177.04396	2.0
203.02159	1.6
216.67351	1.2
243.06590	1.8
257.04373	2.0
272.06790	44.6
272.14584	2.5
297.18561	2.2
300.06274	50.4
315.08618	100.0
315.19492	4.1
315.23251	1.4
316.08978	3.7
333.08685	2.0
333.19113	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.5
57.03434	0.4
57.07053	0.3
61.01168	1.3
61.37854	0.2
67.01863	0.3
69.03424	1.9
70.06584	0.8
71.01340	0.6
71.59698	0.4
72.08154	0.6
73.02893	0.3
85.01109	0.4
85.02908	0.5
86.09700	0.8
89.06014	0.4
91.05431	0.3
97.02890	33.6
103.02145	0.4
115.08781	0.3
119.03530	0.6
126.46762	0.2
129.10175	0.3
134.99660	0.4
135.05406	0.5
136.06183	100.0
137.04597	0.9
143.01613	2.3
148.06172	0.7
152.05688	2.4
161.02676	1.0
161.05966	0.4
162.07755	0.6
164.05670	4.9
168.59395	0.3
178.07233	2.6
179.03633	1.7
220.08124	0.3
232.08444	0.4
248.07790	0.9
250.09329	0.3
278.07089	0.4
296.08218	3.2
314.09128	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	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.8
57.03441	0.7
60.78733	0.3
61.01147	1.0
62.93003	0.3
69.03428	2.4
69.07068	0.3
69.62621	2.0
70.06586	1.7
71.08647	0.3
73.02917	0.6
81.03427	0.3
81.07042	0.5
84.04507	0.4
85.02909	0.9
86.09731	0.3
89.31393	0.3
95.06094	1.7
97.02892	43.7
98.97567	0.6
108.08105	0.4
108.97787	0.3
113.02373	0.3
116.07105	0.5
116.98640	0.5
117.05526	0.5
119.01677	0.4
119.03541	0.7
134.05971	0.3
134.09657	0.4
134.99660	0.6
135.05447	0.5
135.06541	0.4
136.06183	100.0
137.04570	0.8
143.01630	2.5
148.06165	0.7
152.05815	0.5
152.07069	1.0
152.10722	0.6
161.01442	0.4
161.02649	1.7
162.07803	0.5
164.05676	5.4
165.00790	0.3
166.07251	0.3
178.07243	2.6
179.03728	2.0
193.13303	0.4
196.06712	0.3
199.10678	0.3
211.14386	1.4
216.18407	0.3
232.08447	0.4
248.07758	0.8
250.09433	0.6
270.21750	1.0
278.06894	0.7
281.51617	0.3
296.08115	3.6
314.09174	7.5
314.12381	0.9
314.18134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.0
57.03152	0.7
57.03438	23.6
57.07075	66.8
57.60254	0.7
67.05160	1.2
67.05496	12.6
69.06718	1.0
69.07069	11.8
69.85432	2.4
69.85825	1.4
71.08632	44.2
75.04464	1.2
79.05490	1.8
81.07060	14.9
83.08617	13.0
85.06548	0.9
85.10181	23.4
89.06017	3.9
91.05463	2.7
93.07041	1.7
95.08607	24.0
97.10184	6.2
98.21451	0.9
99.11724	1.4
103.07566	3.2
109.10154	11.5
111.11745	2.0
117.09105	1.3
123.11697	5.3
131.10658	0.7
137.13251	1.9
151.14705	0.9
239.23647	4.2
257.24741	7.4
313.27362	100.0
314.27692	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
56.44466	0.7
57.03438	19.4
57.07077	60.5
67.05506	12.0
69.07070	11.3
69.95869	3.7
71.04996	1.0
71.08634	39.7
75.04451	0.8
79.05502	0.8
80.39433	0.6
81.07060	17.6
83.04986	1.0
83.08144	0.8
83.08621	12.6
85.06525	0.7
85.10185	24.1
89.06021	2.9
93.07019	1.3
95.08610	22.7
97.10168	6.7
98.20852	1.0
99.11713	1.4
103.07558	2.0
109.10156	11.0
111.11723	1.4
113.13351	0.9
119.48981	0.8
123.11691	4.4
125.13216	0.7
136.53043	0.8
137.13226	2.1
210.37921	0.8
221.96071	0.7
239.23672	3.9
242.95270	0.8
257.24768	7.0
258.04681	0.7
280.27155	0.8
313.27368	100.0
314.27737	2.7
315.23010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.6
55.05514	7.8
55.59331	0.5
57.03437	19.0
57.07075	61.2
67.05170	0.8
67.05507	11.9
69.07068	10.1
70.21339	2.7
71.08632	38.9
79.05481	1.4
81.03423	1.9
81.07056	14.9
83.08621	13.0
84.08932	0.7
85.10181	20.6
89.06026	2.8
91.05480	0.9
93.07030	1.7
95.08606	22.2
97.10172	5.7
99.11716	1.6
103.07608	1.6
105.07039	1.4
107.08588	1.2
109.10154	9.8
109.93470	0.7
111.11724	1.7
114.52660	0.7
117.09166	0.8
121.10088	0.8
123.11722	4.3
125.13259	1.2
131.08495	0.7
137.13222	1.9
145.10110	0.8
173.13177	0.6
178.36716	0.6
184.67186	0.6
197.09488	0.7
239.23717	4.8
257.24768	6.2
275.25763	0.9
286.74377	0.6
298.27267	0.7
313.17902	3.1
313.27356	100.0
314.27649	3.2
319.39493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01877	2.6
55.05511	12.3
57.03423	2.5
57.07064	2.4
67.05505	28.2
69.07069	19.7
70.23792	8.8
71.04990	4.0
79.05477	11.7
79.42711	2.2
81.07046	16.5
83.08620	5.7
85.78229	2.0
91.05482	10.2
91.06004	2.3
93.07040	16.0
95.04968	2.4
95.08605	100.0
96.08945	3.3
97.06493	3.0
97.10152	4.0
105.07006	7.3
107.08559	11.4
109.10152	5.7
111.08070	3.8
113.09634	45.9
119.08546	4.2
121.10139	10.6
125.23200	2.1
133.10162	4.0
135.11676	4.5
139.11201	3.8
140.10437	2.6
147.11644	5.6
149.13249	4.0
161.13139	2.7
191.61607	2.4
203.12788	3.1
231.98566	2.3
239.11679	3.5
253.53857	2.8
259.20547	4.3
277.21527	20.7
295.22467	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39584	0.7
50.95665	0.7
55.05513	8.7
57.03437	16.7
57.07076	58.3
57.98326	0.6
58.98329	0.6
62.93747	0.7
67.05506	11.4
69.07068	11.3
70.86295	2.1
70.86653	0.7
71.04991	1.1
71.08630	35.5
74.33480	0.7
75.04495	1.0
79.05481	1.3
81.07055	16.5
83.08623	13.2
85.10182	20.6
89.06020	2.9
93.07038	1.6
95.08607	20.9
97.10160	5.9
99.08128	0.9
99.11710	1.4
103.07589	1.7
109.10161	8.5
111.11711	1.4
117.09138	0.9
123.11682	4.3
125.13260	0.8
135.11700	0.9
137.13229	1.9
151.14784	1.0
210.27219	0.7
239.23660	4.4
245.11212	0.7
257.24783	7.5
274.27383	0.6
275.25824	0.7
313.27368	100.0
314.27774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
50.00179	2.3
53.82230	2.5
55.01868	7.3
55.05512	27.1
56.96557	3.0
57.03418	9.0
57.07066	11.4
60.04505	2.2
63.07166	2.2
63.27740	2.6
67.05508	41.3
69.03439	2.3
69.07089	13.6
69.07391	2.9
69.87966	10.4
70.62381	2.7
71.04993	21.5
71.08279	3.3
71.08635	45.2
79.05484	22.9
81.07056	33.4
83.04986	15.6
83.08615	18.2
85.06541	7.3
85.10168	2.7
88.19999	2.0
91.05458	14.5
92.63689	2.2
93.07039	30.6
94.75626	3.2
95.04966	8.9
95.08613	22.3
97.06504	10.4
97.10165	12.9
99.08092	31.2
102.81597	2.3
105.07019	13.7
107.08589	19.7
109.10173	20.2
111.08054	4.4
113.09666	2.7
117.07028	2.6
119.08582	10.2
121.06512	2.2
121.10169	12.6
123.11698	5.0
123.74111	2.4
125.09632	6.9
127.11214	6.3
131.08623	2.9
133.10135	8.1
135.11696	12.0
141.11670	4.6
141.12735	59.4
142.13156	2.2
143.08569	3.7
144.37997	2.5
145.10110	8.8
147.11702	8.2
149.13254	3.0
151.11182	7.8
153.12747	7.1
153.22847	2.5
155.10594	2.4
159.11630	3.0
161.13263	7.4
163.11189	12.9
165.12726	5.4
166.12927	3.0
169.12244	22.6
171.11725	3.0
174.02783	2.3
175.14767	3.5
179.14375	5.9
189.11188	7.1
205.34000	2.3
231.21297	3.8
234.27249	2.5
241.19495	3.2
259.20511	5.0
277.21628	50.1
278.62775	2.5
295.22678	100.0
296.23016	4.9
313.21674	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.63133	8.6
55.01871	14.7
55.05511	54.7
56.96564	12.3
57.03414	11.3
57.07064	34.5
67.05505	99.4
69.07057	81.1
71.04991	20.0
71.08623	39.9
71.20471	9.7
71.20814	15.9
79.05484	51.1
81.07058	82.5
83.04971	13.4
83.08630	26.9
85.10194	31.8
91.05467	37.1
92.45391	8.0
93.07030	67.5
95.04980	22.6
95.08033	15.1
95.08593	100.0
97.10174	23.4
99.08101	24.6
104.78912	7.9
104.79669	7.4
105.07030	35.7
107.08625	55.0
109.06487	8.4
109.10160	34.7
111.11686	10.2
113.09631	48.4
119.08588	27.1
121.10180	41.1
123.08090	14.4
123.11715	15.6
125.09615	23.3
131.08603	18.8
133.10146	13.5
135.11671	23.9
139.11171	33.0
141.12750	34.0
145.10075	12.3
147.11699	19.5
149.09630	14.7
149.13179	8.1
151.11162	17.1
163.11082	10.8
165.12798	21.2
167.10718	11.7
169.12320	16.9
185.11725	10.9
185.13257	12.2
193.15941	11.1
221.15398	12.6
277.21628	67.3
291.12756	10.0
295.22620	77.7
301.62378	7.9
313.18027	44.2
313.21350	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	313.2372
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.01877	17.1
55.05509	58.0
56.96561	12.1
57.03445	10.2
57.07070	14.1
60.04531	34.3
67.05496	88.8
69.07067	77.2
69.85178	19.6
69.85588	16.3
71.04990	12.7
71.08619	10.0
79.05495	77.3
81.07063	97.0
83.04988	14.5
83.08620	36.5
91.05467	42.4
93.07039	96.8
95.04977	11.7
95.08611	73.7
97.06534	24.6
97.10194	29.0
98.97594	8.3
105.07026	36.7
107.04982	6.4
107.08597	45.4
109.06528	10.2
109.10132	43.6
116.98613	6.3
117.07014	15.2
118.61445	5.8
119.08564	38.9
121.10147	51.2
123.08044	50.8
123.11696	11.3
124.28970	5.7
125.09651	30.4
129.05583	6.2
129.62740	6.3
131.08542	8.6
133.10146	17.4
134.99660	8.6
135.11705	59.3
137.08484	6.7
137.09601	13.1
139.11214	16.4
143.08626	5.9
145.10133	11.4
147.04462	7.4
147.08017	8.2
147.11748	9.3
149.09650	7.0
149.13272	11.2
151.03900	8.5
151.07564	16.6
153.01799	6.6
153.12759	24.0
159.11681	8.0
173.02611	6.3
173.13301	11.5
175.14915	9.2
184.00540	7.8
185.13213	7.2
187.14809	6.2
189.11284	8.3
189.51653	10.3
193.15862	7.0
197.01245	13.1
207.13768	9.5
211.02780	7.8
221.01083	7.1
222.01959	15.6
227.46098	6.1
231.21039	9.3
239.02385	7.1
240.03084	31.4
241.03624	7.3
241.19530	16.7
249.22066	14.8
253.08469	6.4
257.04453	100.0
258.04565	18.5
259.20663	17.7
262.53442	30.1
270.04919	17.7
270.54910	7.6
271.54050	74.5
272.04135	11.7
274.04498	8.5
277.21664	76.0
279.05246	98.9
279.55469	9.0
283.04904	12.3
285.03983	14.6
286.04703	20.6
290.56088	23.8
295.22635	38.8
296.26044	10.6
313.07175	12.5
313.10699	15.2
313.21463	7.6
313.25089	8.0
314.26779	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01860	22.8
55.05518	64.8
57.07060	12.9
61.02317	10.3
67.05504	98.0
69.07055	49.7
69.78683	29.1
69.79095	32.7
71.08624	38.8
76.11442	9.7
79.05480	53.9
81.03420	12.2
81.07061	98.4
83.05003	17.4
83.08614	32.1
83.91456	10.6
91.05463	40.0
93.07042	67.6
95.04963	11.7
95.08605	37.6
95.55511	10.0
97.06541	45.9
97.10140	25.2
99.08073	28.9
105.07014	46.4
107.08582	36.8
109.10115	18.7
111.08089	13.6
119.08559	26.9
121.10136	31.6
125.09624	12.2
131.08553	17.8
133.10104	36.1
135.11656	19.1
139.11168	20.5
147.11635	26.1
149.13214	14.1
151.11235	21.7
159.11635	19.3
161.13242	18.7
165.12755	27.8
173.11780	17.4
175.14850	14.4
179.14302	13.4
195.13698	22.3
200.90442	12.2
259.20636	15.6
277.21674	100.0
295.22662	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	313.237
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.98952	5.6
55.01882	5.5
55.05499	28.3
55.89960	6.1
56.67646	7.5
57.03429	7.5
57.07072	14.8
67.05508	70.7
69.07080	37.1
71.04987	19.1
71.42665	14.4
73.92892	6.8
79.05497	57.9
81.07060	85.3
83.08607	23.1
91.05481	34.2
93.07043	68.1
95.08607	100.0
97.06513	12.1
97.10207	8.9
99.08085	8.7
105.07017	43.4
107.08605	64.4
109.06506	8.7
109.10154	36.1
111.08048	11.8
113.09653	5.4
115.07568	6.7
115.42165	6.2
116.98593	6.3
117.06996	15.0
119.08559	29.8
121.10145	45.7
123.08018	7.3
123.11692	13.5
125.09533	5.8
125.28333	6.8
129.06937	7.0
131.08560	21.7
133.10152	31.6
135.08095	7.1
135.11723	18.8
139.11166	15.0
143.08543	13.6
145.10117	21.4
147.11653	34.2
149.09605	7.9
149.13281	20.6
151.07590	32.8
151.11220	7.5
157.10094	12.8
159.11684	23.4
159.59515	7.5
161.13264	29.5
163.14833	8.7
165.12787	12.1
171.11684	9.3
173.13261	51.6
175.11270	6.1
175.14824	17.3
183.11705	8.2
185.13234	6.8
187.14833	19.9
191.14351	15.7
199.14830	16.6
201.16342	9.1
209.15379	24.7
211.14676	6.3
238.11473	5.9
239.12015	9.0
241.19649	11.4
255.20982	15.0
259.20563	9.4
277.21729	38.0
295.21906	7.1
295.24533	10.1
313.21756	13.0
313.25104	66.8
313.28119	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	313.1544
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03933	0.3
53.16499	0.1
56.96555	0.3
57.07055	0.1
58.14977	0.1
58.78791	0.2
67.05508	0.2
69.98017	0.4
69.98428	0.6
71.54124	0.1
79.05494	0.3
81.03422	0.3
81.07037	0.2
88.77698	0.2
91.05465	0.9
93.07040	2.1
95.04971	0.3
97.02869	0.2
103.05466	5.9
105.07007	0.3
107.04980	0.2
107.08586	0.2
111.95641	0.2
118.06527	0.2
120.08102	100.0
121.08451	0.9
121.12978	0.2
123.04439	0.4
129.06943	0.3
131.04953	0.3
137.05959	0.3
143.08591	0.2
144.12698	0.2
145.10098	0.2
166.08643	4.7
181.07446	0.3
182.07091	0.3
189.09058	0.2
201.42595	0.2
204.73157	0.3
225.10374	0.3
227.07986	0.2
267.14978	0.5
269.08914	1.7
271.10593	0.2
313.07428	0.8
313.11795	0.4
313.15466	1.9
313.19855	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
53.03930	7.4
54.30685	1.9
55.01865	5.5
55.05512	12.1
55.42075	1.9
56.96551	3.7
57.03416	3.1
57.07057	7.3
57.93639	1.9
58.15736	2.0
65.03931	3.1
67.05505	25.8
69.07066	11.1
70.72881	6.6
71.04969	3.2
71.08624	3.2
79.05490	29.9
81.03416	96.5
81.07048	28.6
83.04960	5.1
83.08601	5.7
91.05474	50.9
93.07037	31.9
94.84922	2.2
95.04964	55.2
95.08598	30.2
95.31128	2.2
97.06534	7.9
103.05467	24.1
105.03437	2.3
105.07035	53.4
107.04935	10.2
107.08587	21.5
109.06543	11.8
109.10161	17.1
111.08074	3.2
115.05418	10.1
116.98582	2.4
117.07015	38.6
119.04924	8.1
119.08581	26.2
121.06496	17.7
121.10143	15.2
123.08051	5.1
123.11676	3.1
125.09630	2.8
128.06189	6.2
129.07010	22.3
131.04915	38.5
131.08565	38.0
133.06470	7.8
133.10149	12.5
134.99658	2.5
135.04428	24.8
135.08061	11.2
135.11659	5.8
137.09563	3.1
141.06998	14.5
142.07758	6.6
143.08556	20.1
144.09410	2.8
145.06462	15.0
145.10126	24.1
147.08047	6.5
147.11671	8.4
149.05989	18.4
149.09608	19.8
151.07539	2.7
151.11157	8.8
153.06995	3.1
154.07811	5.3
155.08551	17.5
157.10109	17.3
159.08035	6.8
159.11728	11.9
161.05972	9.5
161.09605	7.6
161.13148	4.0
163.07510	6.4
163.11140	8.0
163.14803	2.4
165.06947	6.3
165.12659	2.6
166.07571	2.9
167.08498	10.7
168.09271	2.8
169.10143	15.3
171.08018	7.7
171.11678	5.8
173.09572	4.3
173.13235	10.1
175.11208	5.2
177.09096	3.6
178.07722	3.6
179.08543	6.7
181.10107	12.0
181.84215	2.4
183.08031	6.6
183.11682	8.8
184.88181	2.2
185.09599	3.7
185.13278	5.5
187.07523	2.7
187.11304	2.8
189.12781	4.2
192.09409	2.7
192.45087	2.0
193.10175	9.4
195.11687	9.1
197.09607	7.9
197.13261	4.8
199.07475	2.6
199.11076	2.2
199.14746	3.6
201.09190	3.0
201.12733	3.8
203.07021	2.9
203.08725	2.7
206.10980	2.7
207.11707	9.8
209.13255	6.1
211.11154	6.3
211.14812	4.0
215.10701	5.2
215.14317	2.0
219.13721	2.9
223.11214	2.7
223.14732	5.2
225.09145	5.3
225.12701	3.3
237.12715	2.4
237.16388	5.1
239.10730	4.0
239.14357	3.1
239.17969	6.1
249.16351	10.8
253.15794	3.8
255.17523	2.5
259.14734	2.6
267.17407	29.9
277.15826	6.8
285.18372	3.9
295.16873	42.8
295.19989	3.4
313.17975	100.0
313.21384	5.4
314.18341	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	313.1281
Annotation	Hydroxycoriatin
Peak:m/z	Relative Intensity
53.03937	9.1
55.01869	11.3
55.05506	47.3
56.06479	2.6
57.03173	4.7
57.03433	39.8
58.44239	2.6
67.05499	41.6
68.99788	5.6
69.03428	68.4
69.06725	3.2
69.07067	34.7
69.35808	2.6
71.04980	26.9
71.40221	6.5
73.02914	3.3
79.05494	29.9
81.03416	66.2
81.07053	45.0
82.04192	23.5
83.04979	47.4
83.08614	22.2
85.02903	39.0
85.06541	5.2
87.00829	8.6
91.05479	29.0
91.35162	2.7
93.07039	47.6
95.04954	19.7
95.08598	44.8
97.02894	30.5
97.06527	17.5
97.42084	2.5
99.04442	8.4
99.08092	10.4
105.07018	17.9
107.04971	10.2
107.08577	17.0
109.06503	12.3
109.10162	5.5
111.04441	19.2
111.08077	96.3
113.09628	14.9
115.03915	3.6
115.05452	3.1
117.07027	12.0
118.48578	3.1
119.08580	10.7
121.06493	10.5
123.04419	5.9
123.08067	23.1
125.09634	4.3
127.03905	7.2
127.07550	9.8
129.07048	3.8
131.08589	3.2
133.06445	5.4
133.10094	6.4
135.08055	27.6
135.11652	3.7
137.06001	6.9
137.09622	8.9
139.07535	100.0
139.11220	4.9
141.09106	73.0
143.08531	3.9
145.10097	8.4
147.08044	6.4
149.06084	3.5
149.09599	9.5
151.07533	49.1
151.08646	4.1
153.09079	6.5
161.09648	4.8
163.11183	9.9
165.09193	8.2
167.10710	6.3
173.09702	3.9
181.12221	4.1
189.08997	4.2
191.10643	23.6
207.10182	8.7
209.11732	89.9
227.12721	5.9
258.59564	3.2
295.08621	5.7
295.11771	79.1
313.13080	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	313.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.1
56.96560	38.3
57.03421	3.0
57.04535	1.9
57.07073	2.6
60.04102	1.6
61.34005	1.7
67.05494	5.9
69.07062	6.4
70.46366	5.6
71.91753	1.9
72.96023	3.0
79.05492	3.8
81.07062	9.0
81.75687	1.7
83.08611	2.0
89.78583	1.7
91.05487	4.0
93.07021	5.6
95.08598	8.5
97.06516	4.4
101.07092	2.2
105.07029	2.8
107.08575	4.0
110.71992	1.9
116.98489	2.1
119.08583	4.3
133.10167	2.6
146.99646	1.8
147.11758	2.4
149.06026	2.1
151.67496	1.9
161.13306	3.0
179.14246	1.7
189.00644	2.2
191.00117	2.0
223.10045	3.8
241.11098	26.5
253.08371	6.7
253.11055	48.7
254.11340	3.2
259.12173	45.8
260.12424	2.4
264.12573	2.3
266.78830	1.9
271.12149	100.0
272.08688	3.2
272.12601	4.7
272.21375	1.7
272.98276	1.8
273.07870	2.4
282.13669	1.9
288.01108	1.9
289.13217	7.3
294.13763	12.6
313.14230	3.3
313.17667	3.0
313.21429	4.2
313.25427	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	313.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
56.96562	0.9
57.07084	1.6
59.69470	1.0
67.05499	2.2
69.03412	3.3
69.07081	1.0
70.06586	2.0
70.58304	0.9
71.59518	1.4
72.08141	1.0
72.59822	0.9
75.97105	1.0
78.03779	1.3
79.05482	1.6
81.03423	3.7
81.07058	3.3
83.08575	1.1
84.08148	1.7
84.35594	0.9
85.02890	1.4
86.09698	2.3
91.05460	9.9
93.07034	1.3
94.04162	1.1
95.04990	2.4
95.08609	1.9
97.02902	1.5
98.09793	0.9
103.05441	1.0
105.03397	1.0
105.07019	4.0
106.99832	0.9
107.04978	1.5
107.08610	1.3
109.02866	3.7
109.06497	1.6
111.04470	1.3
115.05454	1.6
116.98616	1.4
117.07079	1.1
119.04934	2.4
120.08067	1.5
122.03614	1.6
123.04433	9.4
127.03888	2.0
129.07018	3.3
131.04919	4.8
131.06427	1.4
131.08598	2.1
133.06490	2.4
134.99612	1.0
137.02344	30.2
137.03378	1.8
137.05965	12.8
143.08601	2.0
145.06407	1.0
145.10199	1.9
147.04407	2.8
149.06068	0.9
149.07451	4.2
151.03938	1.2
151.07562	9.8
152.06245	3.4
153.05547	1.2
153.06956	2.1
155.08562	2.0
157.06541	2.2
157.10106	2.4
159.04384	2.4
160.05199	17.7
161.05965	5.0
163.03911	1.9
163.07458	1.1
165.06914	6.4
167.08566	4.5
169.06598	1.0
171.11694	1.1
175.03931	4.5
175.07622	2.0
176.06186	6.6
177.06981	13.4
177.08560	1.3
177.08940	1.1
178.07780	1.3
179.08623	2.0
181.06487	13.7
183.11787	1.1
189.05428	2.2
189.07039	2.0
189.09102	3.4
193.06476	2.2
193.10188	1.8
195.08055	7.6
197.05975	2.9
199.07587	1.8
205.06491	46.7
206.07106	2.8
207.08115	3.1
209.13133	1.0
211.07568	2.3
221.05975	27.9
221.09413	1.3
222.06625	1.2
223.07536	100.0
224.07986	3.1
233.05977	24.6
234.06667	6.2
235.07518	4.2
237.05602	1.4
239.07072	3.2
241.08667	1.4
249.05475	29.7
249.09221	1.4
249.12726	2.0
250.06152	3.3
251.07042	94.2
252.07462	3.5
253.08560	2.1
257.07831	1.3
263.07117	2.0
267.04129	1.1
267.06589	4.5
267.10184	9.8
268.07202	1.2
269.08084	52.1
277.04959	22.2
277.08224	1.9
278.05801	1.1
285.07477	2.3
285.11325	1.0
295.06030	52.5
295.09314	3.2
296.06274	1.8
302.91879	1.0
313.07071	13.1
313.10880	4.6
313.14432	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	312.1301
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
55.34215	0.5
56.96544	0.7
70.06576	2.3
70.77272	1.4
71.04965	0.8
84.08148	0.8
85.02904	0.7
86.09730	0.5
110.03539	4.0
122.41473	0.6
128.04530	0.8
137.08189	2.5
153.04079	2.4
162.07675	0.6
180.08801	100.0
181.09149	1.2
197.12909	0.8
312.32748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01863	2.6
56.96574	1.5
57.03424	5.3
61.02923	10.7
69.03427	15.0
69.07069	12.0
70.06568	4.3
70.56577	2.2
71.04995	4.3
72.08154	2.1
73.02908	3.5
73.28636	1.2
81.03409	7.6
83.01318	1.1
84.04494	2.6
84.08145	3.5
85.02903	100.0
86.09699	4.7
87.04469	2.0
87.08104	18.6
91.03960	6.4
97.02889	25.4
99.04455	5.2
107.04931	1.4
109.02884	8.6
110.07216	1.7
116.98661	1.4
119.04926	1.9
120.08118	1.4
127.03922	30.3
127.23637	1.5
129.10251	2.9
133.08592	5.1
133.09538	1.3
134.99606	1.4
137.05923	2.0
145.04959	45.6
150.05426	1.5
151.03958	1.8
160.63576	1.2
163.06038	10.5
213.25768	1.2
223.07501	2.0
251.07065	1.5
312.18842	1.4
314.82669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51667	1.6
55.05258	3.3
55.05512	38.1
56.05031	11.1
57.03432	3.9
57.07078	15.0
58.02952	3.6
60.04524	5.9
63.72858	1.7
67.05504	34.0
68.05040	14.2
69.07068	46.0
70.06593	3.3
70.74252	4.1
71.08623	7.6
72.04494	3.7
73.11600	1.9
74.06077	2.8
79.05489	28.0
80.05040	3.0
80.10594	1.8
81.07059	38.8
82.06575	7.1
83.04982	3.0
83.08618	23.2
86.06068	73.2
91.05468	19.3
93.07046	18.4
94.06586	6.0
95.04980	3.3
95.08607	38.5
96.08130	2.4
97.06534	5.0
97.10150	14.4
98.06042	2.1
99.08081	6.9
100.07616	4.7
105.04496	1.9
105.07021	14.2
107.08572	9.0
108.08117	4.8
109.06516	5.6
109.10162	16.4
111.04437	2.2
111.11715	5.3
119.08563	12.6
121.10152	10.9
123.11697	4.9
126.09150	2.5
131.08568	2.0
133.10115	9.9
135.11702	5.6
147.11679	7.0
149.13281	2.2
161.13246	4.3
210.12068	3.5
223.68486	2.1
259.24280	4.6
264.26743	10.4
276.26746	10.2
294.21405	6.0
294.27905	100.0
295.28207	2.8
312.29092	2.1
313.18036	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	313.0705
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01841	2.1
55.05470	1.0
55.50858	0.5
56.96544	1.0
57.07046	1.2
67.05480	1.3
68.99761	0.6
69.03400	1.5
70.06551	0.9
70.10979	1.4
70.11388	1.0
72.08133	1.0
79.05457	1.1
81.03407	2.7
81.07021	1.1
85.02885	0.8
86.09665	1.9
87.32611	0.6
91.05472	3.9
93.07030	0.7
94.06525	0.5
95.04958	0.8
100.11289	0.8
103.05446	0.7
103.96313	0.5
105.06992	1.3
107.04935	1.3
109.02831	2.2
111.04424	0.9
115.05419	0.7
117.06978	0.7
119.04876	1.3
119.08533	0.8
121.06506	0.8
121.10059	0.5
123.04456	0.7
128.06215	1.1
129.07010	2.8
131.04884	1.9
131.08607	1.1
133.10049	0.8
137.05957	5.4
141.06969	0.9
143.08505	1.2
145.10097	1.8
147.04326	0.9
151.03857	0.9
151.07538	6.7
152.06169	2.3
153.06946	1.8
155.08540	1.3
157.06471	0.9
157.10092	0.8
159.04413	2.2
159.08012	1.3
159.11650	0.9
160.03909	1.1
160.05183	15.6
160.06511	0.8
161.05916	2.3
165.06992	5.6
166.07716	1.0
167.08578	3.0
169.06444	1.6
169.10078	0.6
171.11726	0.6
174.06841	0.7
176.06200	7.7
177.06978	12.5
178.07695	1.1
181.04976	1.0
181.06461	13.1
189.09070	3.7
191.08539	0.6
193.06482	2.0
194.07239	0.8
195.08035	7.2
197.05934	1.7
199.07593	1.1
205.06477	44.6
206.06886	1.1
209.06059	0.8
211.07454	2.1
221.05966	22.0
221.09425	1.1
222.06613	1.5
223.07523	100.0
224.07832	1.7
233.05956	26.7
234.06752	4.5
237.05426	1.4
239.07043	0.9
243.11244	1.5
249.05449	28.5
249.09343	1.3
250.06097	3.7
251.07027	86.0
252.07323	2.6
253.05020	0.9
267.06509	4.5
269.08072	39.1
270.08316	0.9
271.10727	1.5
277.04932	19.1
285.07434	0.6
285.12201	1.3
295.05991	45.4
296.06400	1.1
300.79114	0.5
313.07062	8.6
313.10904	1.8
313.14389	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40852	1.4
53.03936	2.4
55.01871	4.2
55.05509	36.7
55.79361	1.6
56.96562	5.3
57.03436	2.8
57.07069	14.0
59.04995	1.6
65.03923	2.1
66.56837	1.6
67.05503	38.7
69.03424	11.7
69.07067	64.6
71.04981	5.6
71.08632	7.7
71.59908	1.9
79.05495	28.4
80.96731	1.7
81.03432	2.2
81.07056	100.0
81.66697	1.5
82.07355	1.8
83.04973	8.0
83.08617	33.4
85.02882	3.1
85.06541	25.0
88.14221	1.5
89.14001	1.5
91.05473	14.5
93.07046	22.6
95.04951	4.9
95.08607	82.7
96.08958	2.1
97.02889	5.5
97.06526	14.2
97.10155	17.8
98.97598	2.8
99.08091	15.2
99.33445	1.8
104.35314	1.7
105.04454	1.8
105.07024	12.2
107.08592	15.1
109.06524	2.2
109.10151	47.7
111.08078	7.0
111.11709	10.6
113.09616	3.5
113.37866	1.5
115.03927	2.6
117.07033	4.9
119.04927	1.9
119.08579	12.7
121.10133	9.2
123.08060	4.8
123.11697	21.8
125.09617	4.0
125.13264	4.4
127.72819	1.8
127.99957	1.6
131.08569	4.9
133.10110	7.6
134.99751	1.7
135.11707	11.0
137.13255	13.0
141.06984	3.8
143.08609	2.8
145.10133	4.4
147.04439	4.9
147.08058	1.9
147.11743	3.5
149.13292	10.2
151.14841	3.7
157.10043	2.3
159.11708	3.7
161.13251	7.9
163.11137	2.6
163.14833	5.0
165.16388	1.6
169.06461	2.1
171.11734	2.2
173.13243	1.6
177.00670	2.6
179.14343	3.8
179.17995	2.6
181.10207	2.2
187.07620	3.1
191.08536	2.1
194.07024	2.1
195.11700	2.5
205.19568	2.1
209.13466	2.2
215.07120	4.8
215.10590	2.1
223.14989	2.2
247.15282	3.3
270.10980	3.6
275.20148	2.0
275.27286	4.1
287.11688	2.0
288.12027	3.2
293.28308	7.9
306.23563	1.7
311.09409	2.8
311.12845	15.8
311.18924	6.0
311.29425	33.8
311.61459	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	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.0
55.05510	31.5
56.13101	2.0
56.96561	5.2
57.07074	19.1
67.05502	36.6
69.03423	2.8
69.07065	60.4
70.91927	5.5
71.04980	7.0
71.08615	9.0
79.05493	25.3
81.03392	2.9
81.07056	100.0
83.04994	5.5
83.08620	31.4
85.06541	15.2
85.10207	3.0
91.05488	12.6
93.07056	24.5
95.04968	2.8
95.08604	85.0
97.06542	14.8
97.10170	27.8
97.40718	2.1
98.86517	2.4
98.97569	2.5
99.08096	19.4
103.05467	2.0
105.07026	9.1
107.08589	22.3
109.06550	2.6
109.10155	55.2
111.08092	14.7
111.11702	18.6
113.09620	4.2
115.05501	2.4
117.06974	3.7
119.08556	7.2
121.10149	16.0
123.11697	34.4
125.09617	15.7
125.13268	7.6
127.11182	3.2
129.06976	2.7
131.08548	6.4
133.10168	4.8
134.99594	2.5
135.08099	2.4
135.11682	13.2
137.13269	20.2
140.07980	2.5
141.02220	2.5
141.07001	7.4
143.08585	3.9
145.10075	5.7
149.13223	12.5
151.14812	6.5
159.11682	4.5
163.11140	2.7
163.14905	5.3
165.16441	2.9
169.06477	2.9
171.11722	3.0
173.13348	2.6
177.16365	4.1
179.17847	3.2
181.52887	2.2
185.13231	2.7
195.11806	3.5
201.16391	5.3
205.19490	2.6
215.07158	11.2
217.03712	2.1
219.21111	3.0
232.35077	2.1
237.21999	2.5
251.11154	2.9
251.14464	2.8
269.12082	2.6
275.20099	7.9
275.27307	4.8
279.10132	2.3
281.28336	2.7
289.09750	2.6
293.21231	6.7
293.28406	21.0
311.12830	24.8
311.16302	5.1
311.19962	7.1
311.23639	6.7
311.29446	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	24.7
55.05511	63.1
56.83244	9.2
57.03438	20.6
57.07069	41.6
62.61485	7.9
67.05502	41.3
69.07062	87.2
69.51034	37.1
69.51461	29.4
71.08625	93.6
71.28048	9.8
73.61247	6.8
79.05495	19.5
81.07061	60.7
83.08284	7.4
83.08624	73.2
92.06944	7.7
93.07039	28.9
94.57603	9.1
95.08598	58.0
97.06539	13.2
97.10188	41.6
99.08092	77.2
105.07056	11.9
107.08622	16.2
109.10181	20.6
111.08119	13.0
119.08560	16.4
121.10149	18.6
131.08583	13.5
135.11673	15.3
145.10193	8.6
147.11699	17.3
153.12685	15.3
163.11148	8.3
163.14827	15.5
165.12781	8.3
181.15843	12.8
189.03345	8.3
209.11766	30.1
237.11230	29.5
243.21133	14.6
261.22092	13.9
279.23154	57.5
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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28664	2.2
53.03929	3.4
55.01871	4.2
55.05267	2.3
55.05512	37.1
56.96549	6.0
57.07074	16.8
67.05177	2.8
67.05508	42.1
69.03447	2.4
69.07070	68.6
70.73514	7.5
71.04983	4.5
71.08626	6.1
79.05486	18.2
81.07059	100.0
83.04986	3.9
83.08620	36.8
84.53618	2.4
85.02905	3.3
85.06551	25.1
85.10135	3.6
91.05466	9.5
93.07034	24.5
95.04970	4.6
95.08612	83.9
97.06522	9.0
97.10176	22.1
98.97592	2.7
99.08088	17.2
105.07018	7.1
107.04929	2.4
107.08607	20.2
107.52229	2.0
108.03320	2.2
109.06505	5.8
109.09457	3.3
109.10157	49.2
111.08051	7.1
111.11729	12.5
113.09690	2.8
117.07005	2.5
119.08551	8.4
121.06535	2.6
121.10165	11.7
123.08077	6.8
123.11710	26.8
125.09612	6.6
125.13239	4.3
131.08522	4.1
133.10104	5.9
134.28537	2.0
135.11684	10.5
137.09634	3.6
137.13281	11.3
139.14708	2.4
141.07022	2.5
143.33969	1.9
145.10083	3.4
149.13287	14.6
151.14816	5.2
159.11676	4.0
163.14833	5.4
165.16455	2.8
167.08539	2.4
177.16383	2.9
184.17021	3.4
185.13249	2.6
197.13210	2.1
215.06990	2.6
215.10637	2.1
266.21127	2.5
271.12259	2.6
275.20013	5.7
275.27255	4.4
293.21228	3.4
293.28488	2.9
294.20624	7.1
311.12720	11.4
311.16104	4.2
311.19788	2.3
311.29456	40.6
329.11176	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.09593	1.1
53.03942	2.2
55.05511	70.4
57.03436	24.6
57.07076	32.1
67.05505	11.3
68.99776	2.0
69.07066	71.7
69.70823	2.0
69.71232	5.7
71.08628	20.3
79.05479	6.6
81.07050	15.1
83.04984	1.7
83.08617	57.0
85.06529	1.4
85.10178	6.5
91.05475	2.7
93.07038	8.0
95.04974	1.4
95.08601	9.5
97.06552	5.5
97.10169	44.3
105.07034	2.1
107.08595	5.0
109.10169	3.7
111.08074	2.6
111.11708	12.4
121.10148	5.7
123.11720	1.4
123.86551	1.3
125.05984	1.3
125.09640	1.2
125.13288	2.4
135.04419	24.2
135.11696	5.5
137.13260	1.6
139.11143	1.4
146.07230	1.4
149.13261	2.6
161.09622	38.4
161.10922	2.6
163.14801	2.7
167.14255	1.9
171.92206	1.1
185.90855	1.2
195.68842	1.1
209.11676	2.1
219.21074	1.6
237.11272	1.6
290.50662	1.2
311.16418	25.0
311.25806	100.0
312.16779	1.9
312.26196	5.0
328.87860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01871	5.5
55.05269	2.2
55.05510	28.9
55.93846	1.7
57.03425	4.5
57.07066	3.6
62.08726	1.7
67.05503	39.7
69.03419	3.2
69.07063	27.4
69.42884	16.3
71.04990	3.3
78.72717	2.4
79.05483	18.4
81.07054	42.6
83.04968	3.1
83.08611	15.7
85.06540	4.6
86.58039	1.7
91.05482	5.3
93.07040	16.4
95.08045	3.4
95.08607	44.6
97.06513	5.3
97.10165	21.2
99.08087	5.4
103.50670	2.4
105.07056	2.3
106.53517	1.8
107.08590	18.8
109.10166	30.9
111.08086	2.2
111.11702	4.3
113.09631	3.0
119.08561	3.6
121.10135	9.4
123.08009	2.5
123.11713	14.3
125.09634	30.5
125.13263	2.1
131.08482	2.3
133.10085	2.9
135.08049	7.2
135.11690	20.3
137.09618	2.7
137.13240	14.4
145.10130	3.8
147.11673	7.4
149.13223	7.1
151.11264	2.7
151.14771	4.5
153.09056	10.0
153.12700	11.4
157.12212	4.0
159.11656	3.9
161.13272	5.5
163.11143	2.2
163.14864	2.9
165.12717	3.6
171.10190	2.6
173.11736	6.5
173.13286	6.8
175.14833	3.8
177.12747	2.5
179.14325	5.0
181.12242	4.0
187.14804	5.8
191.83688	1.7
193.15979	2.2
195.13791	3.8
203.12773	23.7
209.15395	3.8
223.16916	4.4
233.22578	4.3
243.21109	18.2
251.23605	3.4
261.22131	43.5
279.23175	100.0
280.23456	4.1
293.24722	3.7
311.25839	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	2.4
55.05511	57.6
57.03436	22.4
57.07075	26.7
62.52433	0.7
67.05509	9.1
69.07067	64.4
69.96059	4.4
71.04961	0.9
71.08279	1.2
71.08636	15.4
73.02906	0.7
73.06522	0.8
74.95141	0.8
79.05497	4.4
81.07060	11.0
83.04993	1.1
83.08619	53.9
85.10171	6.1
91.05489	0.9
92.53155	0.9
93.07037	7.3
95.08602	8.8
97.06528	4.8
97.10171	39.2
99.08034	0.8
100.04656	0.8
100.57942	0.7
107.08591	4.5
108.59900	0.7
109.10147	3.6
111.08060	1.3
111.11707	10.7
121.10146	7.5
123.11713	1.0
125.09648	1.2
125.13242	2.0
135.11684	4.9
137.13228	1.1
139.11162	1.4
149.13277	3.6
153.12837	0.8
180.75128	0.8
211.71301	0.8
219.21071	2.1
311.25800	100.0
312.26239	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02255	0.7
53.03942	1.4
53.42400	0.6
55.01860	3.1
55.05509	53.8
57.03436	22.0
57.07074	28.4
58.06586	1.4
60.04520	4.6
61.72205	0.7
65.03960	0.9
67.05171	0.9
67.05505	13.3
69.07066	64.2
69.51881	0.7
70.33889	3.1
71.04986	1.5
71.08630	15.0
73.02903	2.0
74.86062	0.7
75.04420	1.1
79.05483	7.1
81.07054	18.8
83.04965	3.2
83.08616	50.3
84.08926	0.7
85.06557	1.3
85.10183	5.8
91.05479	27.0
93.07030	10.3
95.04951	1.2
95.08604	13.5
97.06518	5.2
97.10166	31.3
99.08091	1.2
103.49946	0.7
107.04944	3.6
107.08592	7.1
108.08112	3.3
109.10166	6.8
111.04415	0.8
111.08118	3.5
111.11726	11.9
115.07500	0.8
119.08521	0.9
121.10134	10.8
123.11697	3.2
125.09612	2.2
125.13268	1.7
129.05458	1.0
135.04419	0.9
135.11678	8.0
137.05988	0.8
137.13217	1.6
139.11186	1.9
147.11649	1.4
149.05978	1.1
149.13223	3.2
153.05440	0.9
153.12746	1.3
163.11165	1.4
163.14813	2.4
167.14244	0.8
181.05128	0.8
191.10739	1.1
209.11714	5.4
219.21204	1.8
237.11125	4.5
237.22099	1.9
252.23232	1.7
255.12222	1.1
256.13324	14.5
270.24399	2.0
311.25793	100.0
312.19537	2.5
312.25372	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05510	58.1
57.03439	24.2
57.06820	2.6
57.07073	29.0
67.05499	12.1
69.07070	64.5
70.57629	3.7
70.57983	2.9
71.04986	2.1
71.08630	15.6
79.05498	8.3
81.07048	14.2
83.04964	3.4
83.08617	51.8
83.09111	3.0
85.10164	5.3
91.05486	4.0
93.07044	7.9
95.04943	1.8
95.08615	13.7
97.06523	6.2
97.10168	34.9
105.07010	9.0
107.08581	7.5
109.02853	1.9
109.10168	4.4
111.08104	4.1
111.11716	11.3
119.08592	1.9
121.10114	10.4
123.11696	2.2
125.13265	3.8
133.06500	4.4
134.48642	2.0
135.04556	1.5
135.08046	5.6
135.11707	7.8
139.11247	2.5
149.13266	2.8
153.05530	1.6
161.09598	2.7
191.10832	1.8
209.11708	11.4
237.11061	9.1
255.12257	2.9
311.20090	3.8
311.25821	100.0
312.26273	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	49.6
56.05023	14.5
57.03438	15.6
57.07071	26.1
67.05510	48.2
69.07076	97.8
70.90349	8.0
71.08618	11.4
79.05491	24.8
81.07052	50.2
83.08608	60.3
91.05476	30.4
92.91824	7.5
93.07047	100.0
95.04969	68.0
95.08618	95.6
97.06541	35.9
97.10189	25.3
98.21487	26.4
105.07033	81.2
107.08608	47.9
109.06548	13.2
109.10169	33.7
111.11725	13.0
117.07054	12.5
119.08586	68.5
121.06521	22.0
121.10145	63.0
123.08068	18.4
123.11725	12.8
123.96484	8.1
129.07080	9.3
129.38435	7.7
131.08597	25.8
133.10126	36.5
135.08058	19.5
135.11647	12.2
135.43607	8.1
136.35686	8.5
137.09615	11.8
145.10124	29.0
147.11696	21.6
147.41989	9.2
149.13263	10.4
157.10107	25.8
159.11719	52.6
161.09509	15.3
161.13245	11.7
163.11217	9.5
164.44551	7.9
169.10094	15.3
171.11757	18.8
175.14844	18.8
177.16425	16.6
183.11670	9.5
185.13190	14.8
189.16377	17.3
209.11790	17.9
296.15863	9.5
311.17130	19.7
311.23428	37.8
311.25998	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.13857	5.4
55.01868	12.4
55.05506	43.2
56.96561	6.1
57.03430	29.2
57.07076	38.2
67.05498	49.5
69.03414	11.2
69.07072	61.8
70.38394	13.2
71.05000	32.4
71.08621	11.5
79.05492	67.2
81.03424	9.5
81.07057	86.8
83.04979	20.9
83.08607	21.7
91.05477	47.6
93.07043	81.8
95.04968	15.4
95.08600	60.9
97.06551	28.5
97.10169	31.7
99.08102	14.6
105.07034	37.4
105.08717	4.7
107.05003	8.3
107.08590	53.4
109.06535	17.9
109.10168	27.3
111.04434	19.6
111.08071	19.8
117.07007	16.3
119.08576	29.3
119.78756	6.6
121.10155	54.1
123.08086	11.2
123.11680	8.3
125.06018	6.7
125.09616	32.8
129.07027	8.3
131.08560	36.9
133.10120	18.0
135.08017	8.0
135.11647	13.2
139.11163	33.1
139.40999	5.6
143.08490	6.7
145.10130	19.7
147.11649	11.5
149.02328	19.7
149.09631	18.6
149.13264	7.5
153.05475	24.8
153.06859	5.0
157.10175	9.2
159.11678	9.2
161.13246	9.8
163.11211	12.8
171.11661	10.7
173.13287	8.7
181.12257	12.1
185.13284	10.8
189.11186	9.0
189.12820	9.3
191.10754	11.1
193.04956	50.9
196.62511	10.6
200.20081	7.4
203.12737	33.6
209.11710	100.0
219.17336	10.3
221.15390	6.6
223.16853	8.3
224.65710	12.9
237.11201	98.8
255.12354	19.4
256.26324	10.9
257.19083	14.8
275.20032	90.7
276.20587	5.6
293.18015	5.8
293.20901	28.5
311.24573	46.7
311.74643	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	7.4
55.01861	3.7
55.05511	48.1
56.92972	1.0
57.03434	25.6
57.07076	18.8
59.05002	1.3
65.03936	1.1
67.05499	33.4
69.07068	58.7
71.04980	2.5
71.08633	7.0
71.60250	1.2
79.05491	21.7
81.03419	18.4
81.07055	54.0
82.07393	1.2
83.04980	6.6
83.08617	40.5
85.06528	1.6
85.10170	3.6
91.05467	7.1
93.07038	24.4
95.04977	11.0
95.08602	32.8
97.06528	7.5
97.10170	20.6
99.08085	2.2
101.06044	1.2
105.07019	5.3
107.08592	16.4
109.06515	31.8
109.10146	14.7
111.04436	2.9
111.08075	4.3
111.11723	6.3
111.49552	1.2
119.08636	2.8
121.06494	1.0
121.10137	20.1
123.08074	1.8
123.11662	6.1
125.09622	2.8
131.08582	1.9
133.10100	2.6
135.11690	14.8
136.68509	0.9
137.05972	27.9
137.09599	3.4
137.13254	4.8
139.11166	1.6
142.05405	1.1
145.10107	2.7
147.11745	2.5
149.09663	1.3
149.13251	8.2
153.05507	1.3
153.12764	2.1
159.11664	1.3
163.14842	2.9
165.12766	11.9
167.14369	1.1
173.08107	1.7
191.10661	3.4
209.11693	13.6
209.13307	1.2
219.21056	3.7
237.11224	13.0
237.22000	5.1
247.20515	1.2
255.12256	2.0
275.20053	9.0
281.96039	1.1
293.21103	30.6
294.27960	1.1
311.19983	3.6
311.25812	100.0
312.25980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	6.5
55.02117	1.0
55.05268	1.2
55.05509	16.0
57.03431	1.2
57.07072	27.0
65.03924	1.1
66.42413	0.7
67.05169	1.0
67.05500	11.7
68.99778	1.9
69.03414	1.4
69.07070	5.1
70.66434	1.4
70.66802	1.3
71.01343	1.3
71.04983	1.6
79.05487	10.5
81.03387	2.3
81.07053	8.8
83.04978	13.7
83.08611	9.3
85.02880	3.1
91.05471	7.9
93.07050	11.3
95.04966	17.6
95.08597	7.1
97.02908	0.9
97.06519	4.3
97.10168	7.1
99.04441	2.7
101.02412	1.2
104.64725	0.7
105.07038	6.9
107.04965	5.2
107.08591	10.6
109.02876	6.0
109.06516	2.1
109.10146	4.3
111.04440	29.3
111.08060	4.4
117.06994	1.9
119.08571	5.4
121.06506	2.3
121.10127	7.9
123.08042	1.4
123.11711	1.1
125.05989	8.7
125.09626	7.9
131.08562	3.9
133.10106	3.0
135.04427	3.2
135.08028	2.3
135.11674	4.3
137.05911	0.7
137.09633	1.2
139.11183	1.7
141.09026	0.8
143.08549	1.1
145.10095	8.1
147.08070	1.2
147.11673	2.1
149.09615	10.0
153.05461	17.9
153.09055	0.9
153.12737	2.8
155.10687	0.7
157.10144	0.8
159.11681	2.8
161.13269	0.7
163.03839	2.2
163.11169	12.1
163.91754	0.8
167.10660	0.8
171.10233	0.7
171.11630	0.9
173.13171	0.8
175.07542	1.0
177.09167	1.1
177.12721	0.7
181.04996	4.4
181.12234	10.5
187.11166	0.8
187.14790	0.7
189.11169	5.7
191.10661	13.8
193.08488	1.3
193.12285	1.0
195.10095	0.7
205.12212	1.4
209.11720	100.0
210.12062	3.7
211.13153	0.8
219.10101	1.5
223.13266	20.6
227.12805	1.6
229.19308	0.7
237.11205	82.6
238.11458	3.4
239.17859	1.1
255.10208	0.5
255.12271	17.0
257.18985	3.2
275.20041	18.9
293.17484	5.7
293.21085	20.0
311.18488	3.8
311.22296	3.8
311.27396	1.9
315.59109	0.7
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	Porrigenic acid
Peak:m/z	Relative Intensity
50.20147	2.9
55.01863	15.1
55.05513	23.0
57.07072	37.2
59.62579	2.7
59.72953	2.5
65.03925	4.2
67.05502	36.0
69.03419	7.0
69.07052	10.5
71.04977	7.0
71.08630	19.9
71.30631	3.5
79.05478	12.4
80.61881	2.6
81.03394	7.9
81.07062	18.9
83.04986	15.7
83.08619	7.8
85.02908	11.5
91.05478	19.6
93.07048	24.2
95.04965	26.3
95.08603	76.7
97.06529	6.5
97.10168	5.0
99.04459	6.3
99.08105	15.9
100.56584	2.9
105.07024	8.6
107.04959	8.9
107.08582	8.2
109.02827	3.3
109.06588	5.6
109.10148	25.6
111.04439	41.1
111.08069	7.1
117.07002	5.0
119.08601	16.7
121.10148	6.1
123.08043	10.1
125.05988	4.7
127.11201	4.8
131.08629	3.9
133.10123	15.5
135.04414	4.7
135.11722	7.4
137.09636	20.3
145.10092	5.1
149.09619	10.0
151.11153	18.9
153.05460	20.7
155.10669	65.4
159.11685	3.2
161.09598	3.8
163.11180	16.6
167.10754	3.3
177.12772	5.2
181.12285	8.9
183.13832	4.4
189.11234	2.9
191.10651	15.8
209.11725	100.0
223.13336	17.7
223.15111	3.2
229.19438	3.9
237.11205	93.9
238.11513	4.7
247.20500	5.4
251.20012	7.8
255.12300	20.2
257.19025	3.9
260.51721	2.8
275.20087	28.8
277.96387	3.4
293.17807	5.7
293.21060	92.2
304.52551	2.8
311.05530	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.28784	3.8
55.05519	23.6
57.03425	10.8
57.07076	24.4
67.05502	26.8
69.07068	26.0
69.14861	3.6
71.04986	4.2
71.08626	13.9
71.61144	4.2
71.61524	6.2
79.05492	15.0
79.76176	4.1
81.07045	28.8
83.04971	5.6
83.08629	22.9
84.38396	3.1
90.22150	3.6
91.05465	11.2
93.07039	15.5
95.04943	6.2
95.08612	16.0
97.06543	5.7
97.10160	11.5
98.12136	4.1
99.04441	5.3
99.08110	6.6
105.07013	10.8
107.04955	7.6
107.08589	15.7
109.02837	4.0
109.10143	10.3
111.04454	9.0
119.08623	9.0
121.06517	4.8
121.10174	17.5
123.11700	4.2
125.05978	4.9
131.08578	4.3
135.11713	8.0
141.78514	3.4
145.10164	5.0
147.11649	4.3
149.06001	18.1
153.05490	11.5
163.11209	6.6
165.12802	3.6
181.04997	4.8
209.11714	62.9
212.42404	3.7
237.11264	50.7
255.12216	7.6
275.20068	8.7
293.17786	6.8
293.21109	100.0
311.13055	6.5
311.20035	6.9
311.25824	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.04044	5.2
53.03945	3.8
55.01875	8.4
55.05513	48.9
57.03432	14.1
57.07076	27.8
67.05500	46.5
69.03425	4.5
69.07066	44.5
69.51257	6.7
69.51664	33.2
71.04993	6.5
71.08625	5.7
79.05484	24.6
80.04405	4.2
81.07053	55.9
83.04985	7.3
83.08622	24.9
91.05476	21.2
93.07042	37.0
95.04984	10.7
95.08607	40.1
97.06541	7.5
97.10198	22.4
98.20775	9.0
100.02493	16.5
101.41300	4.4
105.07040	29.9
107.04966	6.2
107.08592	28.9
109.06487	12.5
109.10127	23.1
111.04407	6.0
111.08067	12.5
118.03535	11.4
119.08573	20.0
121.06492	4.5
121.10165	26.6
123.04066	15.2
123.11685	6.2
125.09660	9.3
131.08575	11.7
133.06476	4.5
133.10132	18.6
135.08054	5.1
135.11720	17.2
137.09584	10.7
141.05116	7.1
145.10117	17.5
147.11678	12.2
149.09637	8.4
149.13257	8.7
151.11176	5.5
156.08511	4.5
157.10149	5.4
163.11192	10.3
163.14748	6.5
173.11856	4.6
173.13300	7.7
189.11292	6.0
191.10703	5.8
209.11702	31.6
216.06670	4.5
219.11644	4.4
219.13799	4.2
237.11201	30.2
240.17035	6.4
249.17934	5.3
257.18979	12.5
275.20035	100.0
276.20645	5.0
293.20999	44.8
300.91055	4.2
311.05365	4.4
311.25900	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	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.0
54.20568	2.3
55.01870	56.0
55.05510	79.8
57.03437	4.6
57.64562	2.1
58.41903	2.1
59.05001	2.6
61.61737	2.1
65.03931	2.5
67.05504	32.5
69.03426	7.9
69.07058	20.1
70.12671	11.3
71.05003	4.8
71.08633	21.2
79.05489	31.8
81.03413	21.8
81.07056	39.7
83.04977	23.5
83.08619	51.1
87.51620	2.5
91.05486	18.8
93.07037	27.2
95.04964	35.5
95.08609	12.7
97.06546	6.4
97.10159	37.5
99.08078	20.7
105.07027	12.7
107.04971	4.9
107.08582	29.8
109.06532	3.5
109.10143	12.7
111.04444	10.0
111.08075	100.0
117.07018	6.0
118.96499	2.0
119.08583	9.6
121.06480	3.6
121.10142	18.5
123.08042	2.7
125.09625	24.9
129.06985	4.1
131.08562	7.2
133.10143	6.2
135.08051	3.8
135.11682	7.1
137.09669	2.4
139.11191	9.8
145.10146	8.2
147.11711	8.3
149.09633	13.1
153.09100	7.6
157.10132	3.5
159.11711	6.9
161.09772	2.5
163.11162	44.6
165.12700	4.4
167.10680	7.5
175.11206	3.0
177.12723	5.8
183.72121	2.3
187.11334	2.7
189.11270	10.6
193.12247	15.9
195.13809	18.8
203.12730	4.4
211.13292	8.8
223.13196	12.1
247.20561	3.2
257.19092	3.9
275.20062	26.0
293.21106	91.7
311.22012	14.2
311.40024	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
55.05510	15.2
57.03423	5.7
57.07066	7.6
62.09570	2.0
66.68422	2.6
67.05502	14.8
69.07071	17.5
69.51428	12.4
69.51837	3.6
71.08643	16.2
77.30675	1.8
79.05473	9.3
81.03411	2.3
81.07057	15.8
83.04964	4.7
83.08615	11.9
83.21731	1.9
84.14154	2.2
91.05468	4.8
93.07030	6.7
94.42789	2.0
95.04956	4.8
95.08614	15.4
97.10175	7.9
99.08086	10.3
105.07047	7.5
107.04940	4.4
107.08613	7.0
109.10170	6.2
111.04434	3.1
111.11693	3.0
119.08489	2.6
121.06489	3.0
121.10163	6.5
125.09627	4.3
131.08484	2.8
135.11700	4.9
145.10124	2.2
146.53268	2.0
149.13216	2.5
151.11116	3.2
153.05437	2.9
163.11223	2.2
165.12747	4.1
195.93462	2.2
209.11707	8.3
237.11229	11.1
255.12294	3.3
266.66418	2.5
275.20062	6.2
293.21082	100.0
294.21362	2.6
311.25867	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03949	2.4
54.44248	2.0
55.01880	12.5
55.05508	76.3
57.03420	3.3
67.05178	2.4
67.05502	39.7
69.03428	5.7
69.07063	13.6
70.22966	11.5
71.05006	4.2
71.08629	18.9
79.05489	28.6
81.03431	18.3
81.07053	41.1
83.04978	12.9
83.08611	38.9
85.06547	3.0
91.05464	20.0
93.07045	25.0
95.04967	30.9
95.08606	13.9
97.06512	4.7
97.10166	36.0
99.08083	18.1
105.07042	13.5
107.04934	8.3
107.08578	27.3
109.06490	3.6
109.10165	11.4
111.04415	7.8
111.08081	8.2
111.83086	2.2
113.09546	2.3
117.07028	5.8
118.24395	2.5
119.08578	12.1
121.06536	4.9
121.10129	8.2
123.08055	4.5
123.11777	2.6
125.09635	27.8
131.08563	7.8
133.10065	6.3
135.08026	6.3
135.11653	6.0
139.11206	3.6
145.10092	9.4
147.11684	6.4
149.09612	12.3
149.13280	2.6
153.09108	5.1
157.10132	4.5
159.11671	4.2
161.13350	2.6
163.11162	40.2
165.12723	5.1
167.10703	3.5
175.11194	4.6
177.12746	6.7
187.11307	3.2
189.11226	17.3
193.12222	8.6
195.13750	16.2
211.13268	8.6
219.08018	2.5
223.13197	11.8
229.19441	3.6
247.20494	3.5
252.83377	2.4
257.18973	3.6
265.21680	2.9
266.94199	2.3
275.20035	28.0
279.08887	3.0
293.21085	100.0
294.21353	3.7
311.22211	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.93870	4.5
55.05511	24.2
57.07080	5.7
67.00062	4.2
67.05498	43.8
69.07067	50.3
71.08623	4.9
71.21406	6.3
71.21736	6.9
79.05499	28.5
81.07054	100.0
83.08607	32.4
85.06557	9.7
91.05479	24.7
93.07051	24.7
95.04953	12.0
95.08602	60.9
97.06512	18.5
97.10168	15.2
99.08100	8.5
100.89194	3.9
105.07024	26.0
107.08592	28.4
109.06503	7.8
109.10163	39.0
111.08095	7.0
111.11725	9.7
116.98598	4.6
117.07011	8.4
119.08592	21.0
121.10148	16.5
123.08075	5.6
123.11699	12.8
125.09624	8.7
131.08565	14.2
133.10129	16.8
135.08055	8.0
135.11696	12.6
141.00677	4.4
145.10132	16.1
147.11641	8.5
149.09589	8.6
149.13168	11.8
157.10123	5.7
159.11694	5.2
161.13237	5.6
163.11250	8.5
188.01945	5.0
215.06996	7.2
253.73985	4.7
257.18918	5.3
275.20102	48.9
282.77509	5.0
293.21054	12.9
293.28275	5.8
311.12711	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03934	5.2
55.01876	36.7
55.05508	51.4
56.96564	3.1
57.03445	4.7
57.07070	5.9
59.05000	2.8
61.82528	3.0
65.03943	3.6
67.05502	44.1
69.03426	5.2
69.07069	36.9
70.73612	6.8
71.04979	16.3
73.74628	2.7
74.25314	2.5
78.87483	2.8
79.05056	4.3
79.05495	63.7
81.03426	5.1
81.06572	4.6
81.07054	83.5
83.04984	38.5
83.08613	33.0
85.02887	3.6
85.06531	6.9
88.16156	2.4
91.05481	39.2
93.07046	41.5
95.04980	14.5
95.08057	3.1
95.08607	36.4
97.06532	47.6
97.10165	39.4
98.97588	2.9
99.08086	6.1
105.07032	39.6
107.04982	6.0
107.07857	4.9
107.08595	100.0
109.06512	10.5
109.10141	16.5
111.04431	9.1
111.08086	9.8
113.06052	14.5
117.07030	7.9
119.08594	19.3
121.06460	4.4
121.10140	18.9
123.08093	5.4
123.11691	7.4
125.06006	7.3
125.09631	78.4
129.07004	3.9
131.08553	17.5
133.10129	18.1
135.08023	4.7
135.11708	14.0
137.09598	6.3
139.07390	2.4
139.11223	5.0
143.08601	4.0
144.74913	2.5
145.10124	15.8
147.11703	11.6
149.09622	16.4
149.13322	4.0
153.09114	5.5
153.12715	11.5
157.10121	7.3
159.11702	10.5
161.13240	4.1
163.11217	10.7
167.10736	5.5
169.10207	4.1
171.11642	3.5
173.13240	5.0
175.11284	2.7
177.12764	9.1
181.12280	10.2
187.11186	4.6
189.11240	33.6
193.12175	3.7
195.13770	5.1
205.12283	6.7
205.87738	2.7
207.91313	2.6
211.13258	4.8
213.14780	5.7
223.13148	14.7
229.19672	3.1
251.16563	6.2
257.18921	5.9
268.84744	3.0
275.20062	71.8
293.21130	52.9
306.12787	3.0
311.12683	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	311.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05519	3.8
57.03421	0.9
57.07066	0.8
66.81580	0.5
67.05505	5.1
69.07074	2.9
70.06606	0.6
70.85445	2.0
71.04955	0.8
79.05482	4.0
81.07054	6.6
83.04970	1.0
83.08606	2.2
85.06483	0.7
86.09703	0.9
91.05482	3.2
91.58159	0.6
91.73544	0.6
93.07025	3.1
95.08605	5.5
97.06530	3.9
97.10133	0.7
100.11270	4.1
105.07034	2.3
107.04919	1.8
107.08562	2.7
109.06389	0.7
109.10150	2.2
111.08051	1.0
117.07030	0.9
119.08579	2.0
121.10126	2.0
121.29508	0.6
125.09566	0.7
129.06961	0.8
131.08521	1.4
133.10115	1.2
135.11630	1.1
141.06987	2.5
141.11510	0.8
143.08575	1.2
145.10118	1.3
147.11665	0.9
157.10048	0.8
159.08009	0.7
168.13852	1.4
170.92358	0.6
182.15401	2.4
185.06133	0.9
187.07538	1.0
196.13313	1.7
199.18050	1.5
201.16344	0.9
204.66466	0.7
214.06181	1.1
215.07014	2.5
226.65012	0.6
255.14415	2.5
275.20203	0.7
293.17551	0.7
296.83243	0.6
311.13162	7.5
311.18277	100.0
312.18442	0.7
317.97055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05500	3.7
56.96562	2.5
57.07069	1.1
60.07589	1.0
61.55730	0.8
67.05499	7.8
69.03434	4.9
69.07066	4.4
71.04984	3.5
71.08644	1.1
71.35573	2.3
79.05503	9.8
81.03428	2.6
81.07062	10.0
83.08630	1.8
85.02909	1.4
85.06538	2.5
91.05485	12.2
93.07043	7.2
94.04194	5.1
95.04979	5.3
95.08604	7.6
97.02905	2.2
97.06517	2.1
99.08125	1.5
103.05464	3.5
105.03428	1.1
105.07030	13.8
107.04942	2.9
107.08612	4.4
109.02924	1.7
109.06527	4.8
109.10171	3.7
111.08111	1.8
115.05456	3.2
116.98605	1.0
117.03357	1.5
119.04936	1.6
119.08592	4.8
120.08121	2.3
121.06536	4.0
121.10122	6.9
122.03640	11.4
123.08069	3.5
125.09636	2.0
128.05064	1.2
128.06195	2.5
129.07002	5.4
131.04956	3.8
131.08574	2.8
133.02834	1.4
133.06490	5.2
133.10144	2.8
135.04408	2.2
135.11687	1.4
137.05974	100.0
138.06329	1.8
143.06041	1.3
144.05725	5.9
145.06552	2.0
145.10208	1.4
147.11697	1.7
149.06020	6.0
149.09630	2.1
151.03896	1.8
151.07539	2.4
153.06924	1.3
155.04895	7.2
156.05754	1.4
159.04453	2.8
159.08064	8.8
159.11653	1.5
161.05962	15.1
163.03865	1.3
165.05753	1.1
165.06947	5.5
167.07095	1.3
167.08554	1.6
170.06053	2.6
172.05209	3.5
173.13387	1.1
175.07564	4.7
179.08521	1.2
180.09349	1.3
187.04004	5.2
187.07536	30.3
189.07047	7.6
189.08984	1.3
190.07771	28.1
190.09464	1.6
191.08553	50.0
197.07150	3.7
198.05519	3.4
202.07791	2.2
205.06534	2.2
207.08051	5.5
208.08844	6.0
209.09448	1.2
218.07246	14.0
219.08038	66.7
220.08662	6.7
221.05989	3.1
223.11211	1.5
225.06625	6.9
225.08885	2.0
226.04941	2.3
229.07588	1.3
233.09579	2.3
235.07460	8.9
236.08286	14.5
237.09128	3.1
246.06697	2.3
247.07500	26.3
247.09782	1.5
248.08296	4.7
249.05533	1.2
250.07451	10.5
250.09862	1.6
251.08165	3.4
251.10646	87.3
252.11041	3.1
253.06116	11.2
253.08702	6.4
254.06502	1.2
261.09155	4.0
263.07074	1.8
264.07736	11.9
265.05255	1.4
265.08603	3.1
275.20117	2.4
278.06808	8.4
278.09387	1.3
279.07550	3.8
279.10162	67.5
280.10703	6.9
281.08020	8.7
293.09116	7.8
293.21133	3.3
296.10464	8.4
311.05386	2.7
311.09769	10.7
311.12863	61.9
312.13330	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20979	1.4
53.03933	1.6
55.01857	2.1
55.05501	3.7
56.96563	3.4
57.03432	2.6
63.23760	1.4
65.32041	1.4
67.05502	7.5
69.07054	4.2
69.65263	8.7
71.05006	2.0
79.05492	10.1
81.03410	2.4
81.07063	9.2
83.04989	1.8
84.08112	1.2
85.02905	1.8
85.06541	1.6
86.09692	2.2
89.03931	1.6
90.80437	1.3
91.05485	10.2
93.07037	9.3
94.04168	4.1
95.04950	4.0
95.08595	6.6
97.02892	1.6
97.06551	2.0
103.05464	5.6
105.07002	10.3
107.04946	8.1
107.08589	3.7
109.06512	7.8
109.10140	3.9
115.05449	3.0
115.34558	1.3
116.98623	1.8
119.08607	3.3
121.06498	4.1
121.10126	8.8
122.03650	8.2
123.08089	2.9
123.11667	1.4
128.06190	3.5
129.06993	3.6
131.04926	8.3
131.08566	2.5
133.02850	10.9
133.06480	6.4
133.10121	1.4
135.04433	2.5
135.11708	2.9
136.07562	1.7
137.02351	2.8
137.05978	100.0
137.09608	3.0
138.06296	1.5
144.05663	3.5
145.02847	3.1
145.06438	2.4
145.10101	2.7
149.05972	8.4
149.09601	2.7
150.06786	4.3
151.03865	4.3
151.07503	2.6
155.04921	6.8
155.06036	2.1
155.08620	1.5
159.04430	7.8
159.08008	8.6
161.06001	16.9
161.09627	1.6
163.03906	4.2
165.05563	2.4
165.06921	3.3
167.07161	1.5
172.05188	3.2
173.13379	1.4
175.07553	5.3
177.05508	1.6
177.07016	2.0
179.08430	2.0
181.06363	1.6
187.03940	15.7
187.05423	1.8
187.05798	2.0
187.07535	30.8
189.06993	6.4
190.07770	17.5
191.08554	39.4
192.09076	1.6
202.07611	2.4
203.91878	1.3
205.06528	2.9
207.08061	5.1
208.08839	6.2
209.05960	1.7
218.07262	14.2
219.08064	53.7
220.08690	6.0
221.05968	3.2
223.07541	1.5
223.11320	1.7
229.12273	1.3
233.09535	2.5
235.07513	4.2
236.08333	11.9
237.09050	1.8
238.09521	2.2
239.15289	2.0
240.07787	2.2
246.06834	2.2
247.07568	23.7
248.08286	3.2
249.05399	1.8
250.09898	2.9
251.10674	73.6
252.10974	3.2
253.08597	5.4
261.09164	3.5
263.06970	1.9
264.07825	9.2
265.08646	3.8
268.07251	1.9
275.20062	1.7
279.10156	64.0
280.07950	1.5
280.10770	5.6
281.08109	8.4
281.97403	1.7
283.09558	3.0
283.13354	1.9
293.08212	2.6
293.11411	1.8
293.21146	2.1
295.09778	1.9
296.10406	9.4
311.05902	12.5
311.09122	10.8
311.12759	65.2
312.05917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03929	1.3
55.01864	1.9
55.05510	1.4
56.96564	1.8
57.03434	0.9
60.05439	0.7
65.03925	0.7
67.05504	2.8
69.07062	2.1
69.82998	1.6
69.83412	2.2
77.03934	0.9
77.56654	1.0
79.05496	5.8
81.07077	5.1
83.05003	1.0
83.08592	1.2
85.06536	1.0
91.05486	6.0
93.07072	3.5
94.04181	4.4
95.04971	2.8
95.08614	2.1
103.05476	2.1
105.03413	1.6
105.07037	9.0
107.04964	3.0
107.08601	2.6
109.06522	4.8
109.10185	0.9
109.48758	0.8
115.05455	3.2
116.06219	0.9
117.07008	2.0
119.08594	1.0
121.06512	3.7
121.10172	2.5
122.03646	11.1
125.09641	2.2
127.05391	0.9
128.06210	2.4
129.06998	4.3
131.04958	2.6
131.08585	2.1
132.05765	1.0
133.02853	13.3
133.06488	8.2
133.10146	0.9
135.04405	1.1
137.05981	100.0
138.06349	1.7
144.05669	3.9
145.06511	2.5
145.10100	1.3
146.03577	1.2
147.11662	0.8
149.05997	7.5
151.07579	1.0
155.04906	7.1
156.05678	1.0
157.10333	0.8
159.08052	10.6
161.05988	16.8
165.05548	1.8
165.07031	3.6
171.04427	1.0
172.05219	2.7
175.07571	3.2
179.08510	1.6
180.09363	2.0
187.07544	27.8
188.07988	0.9
189.07008	6.5
189.08653	1.3
190.07776	24.7
191.08559	47.9
192.08955	2.4
193.06575	1.1
194.07185	1.0
195.07907	1.1
202.07722	1.8
203.08441	1.0
205.06502	2.2
206.83018	0.9
207.08070	5.9
208.08803	5.5
218.07268	15.6
219.08052	64.9
220.08801	7.4
221.05995	2.6
222.06807	1.4
223.11400	0.9
225.09109	1.7
229.07616	1.7
233.09607	2.7
235.07524	9.4
236.04741	0.9
236.08324	14.8
237.09056	3.1
246.06819	2.7
247.07547	24.8
248.08255	3.7
249.09120	0.9
251.10677	82.4
252.11040	3.9
253.08598	6.1
261.09207	2.9
263.07028	2.3
264.07867	8.0
265.08591	3.2
266.05960	0.9
267.10175	1.4
268.10962	2.3
275.20114	2.3
277.08545	1.3
279.10178	65.5
280.10785	7.1
281.05151	1.2
281.08096	8.9
283.09604	1.2
283.13324	2.3
293.11728	1.2
293.40582	0.7
295.09390	1.2
296.10452	11.3
309.11160	0.8
311.09570	2.4
311.12772	61.6
312.13074	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	1.0
55.01863	1.5
55.05510	1.2
55.33874	0.7
67.05487	1.9
69.07080	1.0
69.39142	1.9
69.39548	5.8
79.05493	4.2
81.07056	1.8
90.91068	0.9
91.05470	5.8
92.05863	0.8
93.07056	2.7
95.04973	3.0
95.08601	1.6
103.05454	2.2
104.06268	1.6
105.07037	4.0
107.04952	100.0
107.08599	1.5
108.05280	1.8
108.30250	0.8
115.05460	6.0
117.07018	3.0
119.08610	5.7
121.06514	2.9
121.10172	1.6
122.03666	1.2
128.06216	2.4
129.07001	3.5
131.04962	4.5
132.05730	5.8
133.06482	1.8
135.11678	1.7
137.05954	9.7
143.04922	1.1
145.06473	3.5
145.10194	1.0
147.08049	7.1
149.05977	1.2
149.88626	0.9
155.04858	1.2
156.05711	1.1
157.06496	1.4
159.08038	1.7
160.05214	4.0
161.05965	5.7
165.07068	1.2
175.07541	60.6
176.07852	1.7
177.09160	2.3
178.07788	3.1
179.08548	1.2
181.06374	1.2
187.07533	4.9
189.06998	1.0
190.07782	1.9
191.08594	6.4
193.10123	2.7
199.07584	1.6
202.07793	4.9
203.08537	6.1
204.09308	1.1
205.08598	1.4
206.07309	1.7
207.08020	1.3
208.08742	1.2
215.08569	3.3
218.07237	4.0
219.08067	8.2
220.08774	2.2
221.09604	15.7
222.23192	0.9
227.06990	1.9
231.08090	3.7
232.08902	1.3
233.09612	3.4
235.07471	1.4
236.08305	1.6
245.09732	0.9
247.07524	2.6
249.09177	9.3
250.09744	1.0
251.10667	8.4
252.07704	1.0
255.06506	1.1
261.09045	7.0
262.09805	2.5
264.07574	1.0
265.12219	1.3
270.08826	3.0
278.09607	1.0
279.10107	6.7
281.08527	1.4
281.11722	8.1
283.13257	1.6
293.11700	2.9
296.10275	0.9
311.09061	1.7
311.12622	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.20979	1.4
53.03933	1.6
55.01857	2.1
55.05501	3.7
56.96563	3.4
57.03432	2.6
63.23760	1.4
65.32041	1.4
67.05502	7.5
69.07054	4.2
69.65263	8.7
71.05006	2.0
79.05492	10.1
81.03410	2.4
81.07063	9.2
83.04989	1.8
84.08112	1.2
85.02905	1.8
85.06541	1.6
86.09692	2.2
89.03931	1.6
90.80437	1.3
91.05485	10.2
93.07037	9.3
94.04168	4.1
95.04950	4.0
95.08595	6.6
97.02892	1.6
97.06551	2.0
103.05464	5.6
105.07002	10.3
107.04946	8.1
107.08589	3.7
109.06512	7.8
109.10140	3.9
115.05449	3.0
115.34558	1.3
116.98623	1.8
119.08607	3.3
121.06498	4.1
121.10126	8.8
122.03650	8.2
123.08089	2.9
123.11667	1.4
128.06190	3.5
129.06993	3.6
131.04926	8.3
131.08566	2.5
133.02850	10.9
133.06480	6.4
133.10121	1.4
135.04433	2.5
135.11708	2.9
136.07562	1.7
137.02351	2.8
137.05978	100.0
137.09608	3.0
138.06296	1.5
144.05663	3.5
145.02847	3.1
145.06438	2.4
145.10101	2.7
149.05972	8.4
149.09601	2.7
150.06786	4.3
151.03865	4.3
151.07503	2.6
155.04921	6.8
155.06036	2.1
155.08620	1.5
159.04430	7.8
159.08008	8.6
161.06001	16.9
161.09627	1.6
163.03906	4.2
165.05563	2.4
165.06921	3.3
167.07161	1.5
172.05188	3.2
173.13379	1.4
175.07553	5.3
177.05508	1.6
177.07016	2.0
179.08430	2.0
181.06363	1.6
187.03940	15.7
187.05423	1.8
187.05798	2.0
187.07535	30.8
189.06993	6.4
190.07770	17.5
191.08554	39.4
192.09076	1.6
202.07611	2.4
203.91878	1.3
205.06528	2.9
207.08061	5.1
208.08839	6.2
209.05960	1.7
218.07262	14.2
219.08064	53.7
220.08690	6.0
221.05968	3.2
223.07541	1.5
223.11320	1.7
229.12273	1.3
233.09535	2.5
235.07513	4.2
236.08333	11.9
237.09050	1.8
238.09521	2.2
239.15289	2.0
240.07787	2.2
246.06834	2.2
247.07568	23.7
248.08286	3.2
249.05399	1.8
250.09898	2.9
251.10674	73.6
252.10974	3.2
253.08597	5.4
261.09164	3.5
263.06970	1.9
264.07825	9.2
265.08646	3.8
268.07251	1.9
275.20062	1.7
279.10156	64.0
280.07950	1.5
280.10770	5.6
281.08109	8.4
281.97403	1.7
283.09558	3.0
283.13354	1.9
293.08212	2.6
293.11411	1.8
293.21146	2.1
295.09778	1.9
296.10406	9.4
311.05902	12.5
311.09122	10.8
311.12759	65.2
312.05917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	15.4
55.05473	14.4
56.96555	45.9
67.05508	26.3
69.03415	16.3
69.07063	35.7
69.56845	100.0
71.04987	18.1
79.05474	31.4
83.04991	17.2
84.04501	46.8
85.02899	25.0
86.09708	17.5
91.05474	57.1
93.07017	14.2
93.67245	14.9
95.04946	12.2
95.08640	21.8
98.97612	18.3
103.03964	19.7
103.05477	16.3
105.07026	61.7
107.04977	25.1
107.08604	51.9
109.10152	18.7
115.05517	15.4
116.98626	20.2
117.07015	45.9
119.04954	38.4
119.08578	28.4
121.02823	14.8
121.06518	19.9
121.08440	17.0
123.04446	17.6
123.08059	23.9
128.06213	40.5
129.07010	21.5
130.09769	13.0
131.08574	49.6
133.06450	25.1
135.08061	53.8
136.07576	46.5
136.37659	13.4
143.08554	63.6
144.05679	24.0
145.06483	58.9
145.10138	25.8
147.08087	23.4
153.09068	18.0
155.08565	53.6
159.08049	78.3
161.05974	15.6
161.09698	21.5
163.07570	39.4
165.05548	16.3
165.06958	14.9
165.87665	13.2
171.07999	23.5
173.06071	13.3
173.09612	39.4
175.07518	29.0
179.07057	21.0
181.08600	51.2
182.08133	36.7
183.08057	53.3
185.09628	13.8
187.07559	41.8
189.09103	96.1
199.07484	16.0
201.09129	51.8
211.07503	34.7
217.08505	22.5
219.10118	24.2
221.08047	16.5
223.99989	27.1
229.08598	68.0
242.18318	13.7
246.42572	15.1
247.09674	57.6
257.03421	34.6
257.08054	22.2
265.10687	60.4
275.09201	26.8
299.04446	27.2
311.11270	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	11, 14-icosadienoic acid
Peak:m/z	Relative Intensity
55.01866	3.7
55.05508	31.5
56.96555	5.4
57.03427	6.2
57.06819	2.8
57.07076	34.9
59.05008	3.4
60.52812	1.9
67.05501	34.7
69.03416	5.2
69.07064	68.4
69.54812	16.8
71.04976	6.9
71.08621	20.4
71.25919	2.1
79.05493	23.5
80.76546	2.2
81.03407	7.8
81.07053	100.0
83.04976	20.1
83.08621	27.4
84.69191	1.8
85.06524	5.5
85.10174	8.1
91.05476	18.2
93.07050	29.2
95.04957	16.8
95.08604	75.5
97.06509	16.4
97.10158	20.3
98.20747	3.8
98.97601	3.7
99.08086	4.5
101.18759	1.8
105.07043	16.3
107.05004	2.4
107.08596	19.7
109.06500	13.8
109.10152	37.9
111.08086	2.6
111.11738	16.3
113.06005	7.6
116.98596	3.8
117.07011	5.0
119.08556	14.2
119.33671	2.1
121.10122	18.6
123.08067	7.6
123.11698	20.2
125.09608	4.1
125.13257	4.0
127.07509	3.3
131.08534	2.9
132.11786	1.9
133.06506	2.3
133.10123	9.0
135.08058	2.3
135.11705	7.8
137.09602	3.7
137.13261	14.1
139.11148	5.3
143.08553	3.9
145.10120	4.1
147.11711	11.6
149.01244	2.1
149.13235	5.7
151.14746	3.6
153.05524	2.6
155.75819	2.6
161.13261	8.0
161.38393	2.3
163.14799	4.3
165.12712	2.8
169.10013	2.0
175.14862	4.6
182.32832	2.0
189.16327	2.9
193.12181	2.1
203.18137	2.5
217.15800	2.7
238.07809	2.4
273.18518	3.8
273.25748	3.5
279.26920	9.8
291.19595	5.3
291.26895	16.7
309.27881	76.5
310.28271	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.05205	1.2
53.03931	2.3
54.12157	1.2
55.01875	2.9
55.05509	21.2
57.03415	1.6
57.07071	7.2
59.04998	2.5
67.05495	30.7
69.03410	3.7
69.07064	44.5
69.42031	11.5
71.04980	4.2
71.08617	4.1
79.05052	1.8
79.05489	22.0
81.03391	1.5
81.07054	100.0
83.08614	17.7
83.66875	1.2
85.06531	15.8
85.10171	1.5
91.05480	11.6
93.07037	26.8
95.04951	4.2
95.08604	73.4
96.81290	1.4
97.06520	6.4
97.10178	10.4
98.21516	2.3
99.08079	8.0
105.07043	11.3
107.04922	2.2
107.08594	33.2
109.06489	3.5
109.10152	55.3
111.08070	17.6
111.11739	5.0
113.09634	1.5
117.07043	1.6
119.08589	11.4
121.06494	1.3
121.10139	21.0
123.08057	3.1
123.11697	34.1
125.09618	8.0
127.11192	5.4
129.06975	1.4
131.08556	2.1
133.10120	6.7
135.08031	1.8
135.11681	17.7
137.09654	1.4
137.13252	11.9
139.11163	5.0
141.12776	2.4
145.10062	3.0
147.11607	6.2
149.13251	24.1
151.11191	1.6
151.14793	6.2
153.12727	8.6
161.09535	1.6
161.13272	5.8
163.03894	2.2
163.14809	10.0
165.12732	1.9
165.16418	2.0
167.14308	5.8
171.11566	1.5
175.14764	2.6
177.16400	5.9
179.14272	1.4
181.15930	2.5
189.16388	3.4
191.17917	3.1
203.17889	3.0
205.19550	3.1
207.17451	1.5
210.00598	1.4
217.19495	3.7
247.24190	6.8
265.14069	2.3
273.25732	7.2
279.26901	2.3
291.19571	1.5
291.26797	15.3
292.26971	1.9
309.20480	1.3
309.27884	32.8
310.27945	1.9
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	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	17.2
55.01865	8.3
55.05512	36.9
57.07072	6.5
61.50122	5.5
65.03928	5.3
67.05503	71.2
69.07069	46.9
69.55891	37.5
71.08606	10.7
71.84301	4.7
71.84742	5.1
75.50970	4.3
79.05489	44.3
81.03422	56.3
81.07064	55.7
83.04987	17.9
83.08612	16.0
85.06554	5.8
91.05482	23.2
93.07047	43.2
95.04977	38.1
95.08585	25.5
97.10175	13.2
98.20740	8.7
99.08097	5.3
105.07019	25.4
107.08582	33.0
109.06508	8.3
109.10157	23.6
113.13564	5.3
117.06983	5.9
118.20478	5.2
119.08590	21.3
121.10148	11.3
123.11680	10.6
125.09645	19.3
133.10086	9.3
135.08035	10.0
135.11722	10.5
145.19322	5.0
147.11670	12.9
149.13301	6.6
151.11183	44.8
153.09067	6.7
157.10231	5.3
161.13342	11.4
163.11253	5.7
163.14774	6.6
165.12738	6.6
171.11644	5.1
175.14882	6.7
179.14288	7.2
189.69318	5.0
202.67114	5.0
203.12796	13.7
231.21066	7.5
241.19611	9.0
249.22163	6.8
259.20557	10.9
277.21652	100.0
309.32773	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	8.2
53.39507	3.0
55.01868	16.0
55.05508	45.6
56.96552	9.1
57.03425	5.5
57.07063	13.7
60.48907	3.1
65.03925	4.8
67.05505	96.3
69.03416	12.7
69.07070	42.9
69.94366	19.7
71.04996	9.0
71.08631	34.9
79.05488	55.1
81.03413	30.0
81.07053	100.0
83.04980	22.0
83.08604	21.6
85.06528	11.7
85.10178	18.0
91.05475	44.2
91.74805	3.3
93.07042	69.8
95.04962	22.2
95.08603	67.3
97.06518	21.6
97.10152	17.5
98.21452	6.7
99.08083	45.5
104.66964	3.2
105.07036	29.7
107.04961	11.2
107.08591	44.9
109.06514	17.2
109.10150	25.6
111.08065	16.3
113.09670	22.9
117.06997	11.1
118.16171	4.0
119.08573	23.8
121.06486	4.5
121.10143	29.7
123.08061	26.1
123.11736	8.5
124.28638	4.0
125.09647	22.3
129.06970	7.4
130.20883	3.4
131.08575	12.5
133.06549	3.6
133.10135	20.9
135.08078	9.4
135.11685	29.4
137.09616	5.1
137.13199	4.9
139.07542	5.7
139.11169	4.5
143.08612	7.2
145.10101	15.4
146.99663	3.6
147.11656	14.5
149.09619	6.7
149.13261	15.0
151.11174	31.4
153.09103	7.7
153.12776	7.0
157.10146	4.0
157.45009	3.6
159.11801	5.2
161.13324	18.8
163.11217	17.1
163.14798	8.2
165.12750	23.8
171.11696	8.3
173.01804	3.8
173.13292	7.3
175.14825	12.7
177.12785	6.8
179.14313	17.9
181.12213	4.7
185.13310	4.7
189.12801	3.9
189.16393	4.2
193.12143	3.7
193.15846	4.2
203.12801	8.9
207.13953	6.1
221.15347	5.5
225.73120	3.3
231.20970	3.4
235.16957	9.7
239.72870	3.9
241.19533	11.9
259.20673	18.5
263.02869	3.8
273.18564	8.5
277.21606	95.1
291.19537	11.1
291.22852	4.0
309.20636	9.5
309.24249	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
54.95929	2.7
55.01866	11.7
55.05511	45.3
56.31092	3.1
57.03445	6.7
57.07076	17.1
62.18591	3.1
65.05434	2.9
67.05504	72.5
69.03425	4.4
69.07070	38.2
69.62950	8.6
69.63364	16.2
71.04990	6.0
71.08630	23.5
79.05492	58.8
81.03423	9.6
81.07056	81.0
83.04979	14.1
83.08621	23.9
85.06549	5.9
91.05489	37.2
93.07041	68.1
95.04971	28.1
95.08607	53.1
96.88677	2.8
97.06525	15.1
97.10172	19.0
98.40566	3.0
99.08088	19.2
105.07033	25.0
107.04928	4.1
107.08589	36.7
108.27821	3.9
109.06525	10.1
109.10157	27.7
111.08079	11.4
113.09653	4.1
117.07030	8.0
119.08573	24.6
121.06573	4.6
121.10157	27.8
123.08047	9.8
123.11695	11.0
125.09656	7.5
129.07013	8.9
131.08565	8.3
133.06563	4.3
133.10150	23.6
135.08064	6.9
135.11693	21.5
137.09604	7.0
137.13309	3.9
139.11179	10.0
143.08546	6.0
145.10121	13.7
147.08064	4.7
147.11655	18.5
149.09529	4.2
149.13254	12.5
151.11179	13.6
153.09129	3.7
153.12785	6.9
155.14355	3.5
157.10107	5.2
159.11687	5.0
161.13300	18.5
163.11194	8.3
163.14853	4.7
165.12740	12.7
173.13271	5.9
175.11217	8.0
175.14873	10.1
179.14305	10.6
185.13283	6.6
189.12799	4.0
193.12244	4.7
193.15868	6.3
221.15349	3.9
231.21135	8.3
241.19438	8.9
249.22168	5.7
254.27013	3.6
259.20618	11.3
277.21643	100.0
291.23337	4.0
295.22586	10.5
309.24484	30.7
309.29797	55.1
309.33157	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
54.20519	3.0
55.01871	36.5
55.05517	31.4
57.03415	5.1
57.07060	11.9
65.03929	3.5
67.05170	5.7
67.05505	83.5
69.03408	5.6
69.07062	31.9
71.04995	41.6
71.08618	6.4
71.11751	4.8
71.12083	6.7
79.05493	68.7
81.07056	100.0
83.04981	8.5
83.08617	22.1
83.86954	3.1
85.06526	11.4
85.10175	9.3
91.05472	34.2
92.17200	3.6
93.07047	75.9
94.09187	2.7
95.04986	15.6
95.08609	84.9
97.06523	36.6
97.10163	11.5
99.08054	3.8
105.07033	21.6
107.08585	47.5
109.06493	8.4
109.10167	33.4
109.88296	2.9
111.08074	42.4
111.11678	4.0
111.71779	2.7
113.09624	12.4
117.06988	8.9
119.08588	27.4
120.23201	2.9
121.10141	72.7
123.08073	5.5
123.11702	11.0
125.09612	4.2
131.08546	10.3
133.10132	22.5
135.11690	46.1
137.09624	7.2
145.10126	13.6
147.04419	4.1
147.11626	18.0
149.09639	6.7
149.13245	20.9
151.11195	7.9
153.09033	4.9
153.12817	4.6
157.10110	5.7
157.71829	3.5
159.11690	8.4
161.13219	8.7
163.11174	7.1
163.14825	6.6
165.09126	3.4
165.12727	13.5
171.11729	4.7
173.13246	10.7
175.14841	7.3
185.13297	4.2
193.15883	3.7
199.14751	3.0
203.14354	3.8
213.16380	3.5
237.24174	3.1
241.19510	4.4
259.20587	12.6
277.21622	74.6
291.20132	4.6
291.23148	31.5
293.45251	3.0
295.22714	3.9
309.24200	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	9.7
55.01871	11.2
55.05507	48.9
56.96583	3.5
57.03433	7.9
57.07059	8.2
67.05505	100.0
69.03447	6.4
69.07068	36.2
71.04990	4.2
71.08268	5.7
71.08633	52.4
71.20845	6.7
79.05497	59.7
81.03420	23.0
81.07053	83.1
83.04996	18.9
83.08625	26.0
85.06535	7.5
91.05473	35.0
93.07046	70.5
95.04970	33.7
95.08609	43.8
97.06531	19.1
97.10165	29.7
99.05660	3.5
99.08092	45.3
100.02477	8.8
105.07025	40.7
107.04967	5.2
107.08597	50.8
109.06505	8.5
109.10134	36.7
110.85363	3.3
111.08105	8.0
113.72274	3.0
117.07032	10.9
119.08605	26.1
121.06483	3.3
121.10151	32.6
123.08080	5.7
123.11713	12.5
125.09628	39.9
129.07021	9.4
131.08586	8.4
133.10115	22.0
135.08064	8.8
135.11693	31.8
137.09624	8.7
139.07529	5.1
142.07808	6.7
143.08568	10.7
145.10127	14.0
147.11662	19.2
149.13293	15.7
151.11180	33.4
153.09042	4.7
157.10115	7.4
159.11684	9.5
161.13246	23.1
163.11237	12.4
165.12703	7.5
171.10358	4.0
171.11725	9.0
173.13260	7.6
175.14830	11.1
177.12727	4.6
179.14319	12.8
181.10226	3.2
185.13223	7.6
193.12100	3.6
193.15919	3.7
199.14798	4.1
203.12764	14.0
207.13744	4.4
221.15338	5.1
231.21182	6.4
235.16989	3.2
241.19540	10.3
248.16801	4.0
249.22169	6.1
259.20575	12.3
262.08817	3.3
265.80200	3.5
277.21637	94.8
291.23361	3.5
309.21945	8.6
319.44449	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	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	1.6
55.01869	4.5
55.05264	1.7
55.05510	22.1
56.05050	0.8
56.05827	2.4
56.96586	1.0
57.03431	1.5
57.07076	5.2
58.07417	0.8
64.13758	0.7
65.03919	1.1
65.66165	0.8
67.05501	27.3
68.04887	0.9
69.03418	2.2
69.07065	20.3
70.07381	2.2
71.04983	2.0
71.08633	12.4
71.13006	2.5
79.05493	22.3
81.03407	3.9
81.07057	30.9
83.04992	9.0
83.08627	10.5
84.08923	1.1
85.06521	2.7
85.10131	1.0
91.05479	16.6
93.06465	1.8
93.07040	28.7
95.04964	14.7
95.08603	23.8
95.09086	0.6
97.06526	7.7
97.10162	6.2
98.06033	7.4
98.10485	1.1
99.06395	2.5
99.08107	9.0
105.07035	12.3
107.04912	0.9
107.08582	13.2
108.25746	0.8
109.06517	4.6
109.07154	0.9
109.10152	9.4
111.08088	4.3
112.07561	1.4
113.07961	0.9
115.68812	0.9
117.07021	2.2
119.08578	9.2
121.10148	10.5
123.08042	3.9
123.11692	2.8
125.09619	3.1
127.07579	0.9
129.06996	3.8
130.13367	1.0
131.08569	3.8
133.10135	11.3
135.08061	1.7
135.11670	6.6
137.09641	1.4
139.07523	1.7
139.11157	5.6
143.08562	1.8
145.10123	5.0
147.08032	1.3
147.11713	8.6
149.09509	1.3
149.13278	5.1
151.11182	6.1
153.12688	2.2
157.10143	3.1
159.11705	2.6
161.09599	1.6
161.13275	6.7
163.11206	3.1
163.14781	1.2
165.12732	3.8
171.11726	2.6
173.13226	1.4
175.11169	2.5
175.14792	3.8
177.12784	1.4
177.16396	1.2
179.14297	3.4
185.13257	1.6
189.12823	1.5
193.12231	2.5
193.15840	1.6
203.12816	1.2
207.13902	1.8
211.13312	1.1
215.17952	1.2
217.19522	1.6
221.15358	2.5
231.21107	2.6
240.47928	1.0
241.19536	3.7
249.22099	3.5
259.20593	5.9
277.21628	51.2
291.23099	2.9
295.22598	3.6
309.24481	16.5
309.29803	100.0
310.24438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01878	7.6
55.05514	13.4
56.96563	1.1
57.03439	44.5
57.07067	3.1
65.03944	1.4
67.05508	31.3
69.03417	3.1
69.07069	11.6
71.04637	1.0
71.04996	11.0
71.60087	1.2
79.05497	37.1
79.05962	2.0
81.00476	0.8
81.03421	6.6
81.07059	71.8
82.07359	1.1
83.04991	6.9
83.05420	1.3
83.08629	5.9
85.02886	3.1
85.06542	14.8
91.05482	27.9
93.07050	35.1
95.04967	17.6
95.08039	1.4
95.08608	19.3
97.02917	1.1
97.06540	7.6
97.10198	4.0
99.04494	1.0
99.08096	100.0
100.08421	1.2
101.91809	0.9
103.05467	1.1
104.64729	0.8
105.07032	26.0
107.04282	1.3
107.04955	16.9
107.08599	20.6
109.06519	17.5
109.10159	13.6
111.04411	0.9
111.08099	4.2
113.05994	2.5
113.09674	1.6
115.05466	1.0
117.07019	12.0
119.04948	2.5
119.07790	1.3
119.08584	19.8
121.06515	8.9
121.10139	13.4
123.04449	1.4
123.08070	8.7
123.11682	2.6
125.09668	4.2
127.07562	35.3
128.06203	1.3
129.07028	6.7
131.08574	16.0
133.06516	4.1
133.09216	1.5
133.10139	17.5
135.08060	8.4
135.11700	6.4
137.05968	1.9
137.09659	3.9
139.07529	1.1
139.11122	1.0
141.06996	1.7
143.08586	7.2
145.06491	2.8
145.10127	12.8
147.04411	5.3
147.08009	6.7
147.11690	6.3
149.06091	0.9
149.09616	8.7
149.13281	2.5
151.07520	1.8
151.11183	3.8
153.00790	0.8
153.09108	1.4
157.10132	8.2
159.08000	2.1
159.11697	7.3
161.09631	6.4
161.13286	2.7
162.21603	1.0
163.11177	4.4
165.09103	2.3
165.12709	0.9
167.08487	0.8
167.10674	1.3
169.10144	3.0
171.11731	4.6
173.09612	2.1
173.13268	5.0
175.11194	3.2
175.14813	1.7
177.09160	1.1
177.12752	3.5
179.10692	2.3
181.10095	1.0
181.12181	1.1
183.11749	2.3
185.09628	0.9
185.13275	3.3
187.11203	2.6
187.14812	1.3
189.11230	1.9
189.12767	1.3
189.16312	1.2
191.14297	2.4
193.12286	1.2
195.13766	1.0
199.14844	3.9
201.12759	4.4
203.14308	2.5
203.22346	0.9
205.12320	2.5
206.07391	1.3
207.13826	3.2
217.15881	10.9
219.13805	5.8
221.09729	1.5
221.15366	6.3
223.07532	1.1
223.13284	1.9
227.17970	3.2
231.13954	1.3
231.17400	1.3
234.06700	1.9
235.07495	1.2
235.16928	5.9
237.14777	3.0
245.18912	4.0
247.08601	1.3
249.09152	1.5
249.14861	3.4
251.07065	1.4
255.17398	5.0
263.20071	3.9
266.09390	1.1
266.55060	0.8
273.18497	33.5
274.18817	2.2
277.05695	1.0
277.08585	2.9
281.11652	3.6
281.43204	0.8
291.19553	55.9
292.19846	2.0
309.07950	1.2
309.11087	5.8
309.20599	17.6
310.20654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.07517	3.3
53.03936	5.3
55.05513	17.3
57.03423	5.5
57.07070	5.2
62.75944	2.8
67.05505	27.1
69.07050	12.7
70.44304	12.2
72.85110	3.0
79.05493	31.2
81.07056	34.0
83.04998	3.9
83.08614	11.6
91.05476	32.4
93.07039	57.8
95.04962	43.2
95.08610	38.1
97.06522	15.7
103.05476	3.3
105.07024	71.5
107.08607	28.8
109.06513	10.3
109.10164	20.1
117.07019	16.9
119.08578	58.5
121.06481	8.1
121.10146	84.9
123.08073	8.1
123.11674	10.3
128.06213	8.5
129.06982	15.0
130.07751	7.6
131.08536	32.4
133.10133	37.5
135.08046	4.8
135.11710	10.7
140.29366	2.9
141.06999	5.3
142.07762	13.1
143.08560	26.7
144.09308	11.0
145.10121	49.5
147.07997	5.5
147.11690	13.8
149.09573	4.7
155.08569	16.2
156.09326	11.8
157.10129	41.0
158.10870	3.9
159.08113	4.6
159.11671	30.7
161.09647	7.5
161.13226	5.3
167.08640	8.3
168.09348	4.2
169.10118	26.2
170.10912	4.2
171.11641	20.4
173.09608	4.3
173.13206	20.7
174.14185	3.5
175.11182	3.7
175.14830	10.5
179.08617	7.4
181.10112	8.7
182.10951	4.9
183.11732	20.6
185.13289	16.1
187.11156	7.5
187.14853	16.1
192.09277	3.9
193.10085	5.9
194.10910	7.2
195.11737	9.3
196.12537	3.7
197.13318	17.4
199.14836	11.4
201.12726	5.0
206.10875	6.7
207.11800	7.1
208.12428	4.2
209.13268	10.4
210.13898	3.8
211.14801	14.1
213.16486	5.7
219.11749	3.7
220.12486	3.9
221.13274	9.2
222.13834	3.5
223.14742	6.1
225.12854	4.0
225.16403	7.7
227.17860	3.6
235.14841	10.2
235.66954	3.9
237.16400	5.6
239.14407	5.2
239.18066	4.0
249.16360	4.2
253.15877	7.0
261.16263	4.1
265.02856	3.5
265.19531	5.9
267.17276	4.6
281.22687	8.4
291.21057	17.0
309.18497	6.5
309.22098	100.0
309.25516	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03956	3.3
55.01871	7.9
55.05516	16.0
56.96570	1.1
57.03436	41.2
57.07082	1.3
65.03926	1.3
65.18946	1.1
65.70529	1.2
67.05505	27.7
69.03417	2.3
69.07066	12.6
69.89380	7.2
71.05003	9.8
71.58718	1.0
74.02792	1.1
79.05495	37.6
81.03414	6.3
81.07060	46.2
83.04992	5.3
83.08626	9.6
85.02911	2.4
85.06548	14.5
91.05482	20.9
91.06008	1.8
93.07048	35.5
95.04968	16.8
95.08612	23.0
97.06532	8.4
97.10159	8.1
99.08095	100.0
100.08424	1.4
105.07037	20.3
107.04955	12.9
107.08598	18.7
109.06535	13.3
109.10162	10.4
111.04455	2.1
111.08085	3.9
111.11734	1.5
113.05989	7.6
115.05483	1.0
117.07008	11.0
119.04960	1.7
119.08584	16.4
121.06540	5.9
121.10136	13.0
123.04459	1.5
123.08078	11.1
123.11739	2.9
125.06001	1.8
125.09638	5.4
127.07553	37.8
129.06984	5.7
131.08549	12.9
133.06506	3.0
133.10135	10.0
135.08084	8.6
135.11694	5.6
137.02304	1.4
137.09631	4.5
141.06993	1.2
143.08559	4.9
145.06505	2.7
145.10121	10.6
147.04367	8.2
147.08028	5.9
147.11702	5.2
148.07571	1.1
149.09618	9.7
149.13284	3.7
151.07639	1.2
151.11179	2.6
153.09103	1.6
155.08563	1.3
157.10164	6.1
159.07997	1.6
159.11691	7.4
161.09651	4.8
161.13300	2.9
163.11217	5.6
165.09219	2.5
169.10107	2.3
171.11696	3.1
173.09583	1.5
173.13289	4.3
175.11223	3.7
175.14949	1.1
177.12714	2.1
179.10683	3.2
183.11652	1.3
185.13245	2.0
187.11197	2.8
189.11195	3.9
189.12747	2.2
189.16396	1.3
191.14374	2.2
193.12102	1.1
195.11726	1.8
199.14796	1.4
201.12810	3.7
203.14308	1.9
205.12283	1.4
206.07364	1.3
207.13840	2.3
217.15845	6.1
219.13812	5.1
221.15387	5.8
223.13277	1.9
227.18037	2.5
229.07455	1.4
235.17026	2.4
245.19087	4.3
249.09190	3.0
249.14853	2.7
249.18556	1.5
251.16536	1.6
255.17439	4.4
263.12946	1.4
263.20041	4.1
273.18481	30.8
277.08643	3.2
281.11652	2.2
291.19556	49.9
292.20135	2.0
309.11099	4.2
309.20541	17.2
309.27960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03934	3.1
55.01867	4.2
55.05513	8.9
57.03437	33.5
57.07058	1.5
59.04990	3.8
62.97684	1.0
67.05508	14.5
69.03406	2.1
69.07056	6.0
70.93871	3.1
71.05003	5.7
73.38008	1.0
79.05495	18.6
81.03407	4.1
81.07055	30.1
81.55042	1.0
83.04975	3.7
83.08610	4.5
85.02894	1.5
85.06536	8.6
91.05489	16.0
93.07040	16.7
94.75399	0.9
95.04964	10.3
95.08600	9.9
97.06519	3.7
97.10158	2.5
99.08092	100.0
103.05485	1.2
105.07020	14.2
107.04977	10.2
107.08583	10.9
109.02888	1.3
109.06519	7.2
109.10149	5.0
111.08080	1.5
113.06001	1.4
117.07048	5.7
119.04958	1.3
119.08576	8.7
121.06512	4.5
121.10175	7.7
123.08064	6.3
125.09572	1.4
127.06612	1.9
127.07553	35.0
129.06998	4.5
131.04965	1.3
131.08557	9.2
133.06570	1.1
133.10114	7.3
135.08095	3.5
135.11690	3.7
137.06029	1.0
137.09644	3.9
141.07057	1.4
143.08597	2.5
143.15561	1.0
145.06471	1.9
145.10112	7.9
147.04411	4.8
147.08029	4.3
147.11679	2.7
149.09648	5.3
149.13297	1.5
151.11179	1.7
157.10147	4.1
159.11688	3.0
161.09666	3.2
161.13307	1.6
163.11194	3.1
165.09099	1.6
169.10014	1.3
171.11633	2.4
173.09590	1.4
173.13254	2.2
175.11235	3.2
178.07680	2.0
179.10562	1.3
189.07051	1.3
191.14229	1.4
201.12769	3.5
202.07916	1.3
203.08595	1.2
205.12277	2.2
206.07300	2.7
207.13893	1.5
217.15892	4.5
219.08026	2.1
219.13815	4.0
221.09648	2.3
221.15434	3.2
223.13377	1.8
234.06775	2.6
235.07552	2.1
235.16980	2.6
245.18895	2.0
249.09100	4.7
249.14775	1.4
255.17441	4.0
262.06183	1.5
263.20056	3.0
273.18463	21.2
277.08569	4.6
279.06589	1.2
281.11713	4.7
288.75052	1.3
291.19534	31.1
294.09070	1.3
309.07968	2.3
309.11008	8.3
309.17197	2.1
309.20505	11.0
310.11551	1.9
311.80261	1.1
327.60266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.24758	2.8
53.03946	20.3
55.01873	11.6
55.05510	17.0
56.96557	5.0
57.03434	9.0
57.07076	4.2
65.03942	5.4
67.05167	4.1
67.05505	59.7
69.03416	8.2
69.07057	16.6
69.67658	8.5
69.68087	9.5
71.04996	14.7
71.08649	5.0
75.63924	2.2
77.03870	2.9
79.05491	52.5
81.03416	45.6
81.06572	5.7
81.07056	100.0
82.07361	2.7
83.05009	11.8
83.08621	8.8
85.06551	10.1
91.05473	29.6
93.07050	47.0
95.04970	26.1
95.08607	48.2
97.02876	3.6
97.06528	9.5
99.08111	5.7
103.05508	2.9
105.07027	27.1
107.04946	34.4
107.08598	21.6
109.02899	6.9
109.06516	41.2
109.10152	9.0
111.04448	4.0
111.08083	6.2
113.06000	15.1
116.42097	2.1
117.07005	14.2
119.04932	2.9
119.08577	14.6
120.30707	2.1
121.06500	10.8
121.10114	13.7
123.04426	10.1
123.08076	22.5
125.09614	3.0
129.07007	6.1
131.08569	17.0
133.06493	4.9
133.10139	13.8
135.08067	21.2
135.11685	15.1
135.12625	2.7
137.05988	7.0
137.09669	3.3
139.11131	3.0
141.07013	7.8
143.08591	5.3
145.06508	10.2
145.10098	12.3
147.08009	3.2
147.11700	6.0
149.09628	8.1
149.13284	3.8
151.07538	7.2
157.10126	6.5
159.08066	4.4
159.11693	18.5
161.09595	7.4
163.11194	7.5
165.09099	5.6
165.12833	3.4
169.10307	5.3
171.11668	5.0
173.09680	3.1
175.11186	6.3
177.12730	12.1
181.10049	2.7
181.12134	2.4
187.11235	12.7
193.12285	11.0
195.13846	10.0
199.14827	3.9
203.14514	2.8
205.12273	8.3
217.15935	12.1
217.19571	3.5
221.15346	4.7
223.13449	3.5
227.17928	3.2
241.14410	9.2
245.19029	4.2
249.23306	3.1
263.19989	5.2
273.18542	17.1
273.29904	2.6
275.97882	2.4
291.19553	92.5
292.19843	4.2
309.20602	59.8
309.24115	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03955	7.9
55.01872	9.0
55.05508	50.6
56.96555	11.8
57.03435	52.3
57.07066	20.5
59.04980	7.0
67.05511	50.8
68.77805	7.3
69.03421	9.1
69.07062	22.6
69.80724	26.5
69.81142	14.3
71.04955	6.6
73.56327	5.9
79.05495	48.1
81.07058	66.5
83.04967	16.8
83.08620	34.9
85.06547	10.8
91.05482	48.8
93.07050	57.7
95.04946	18.1
95.08608	36.0
97.06547	22.3
97.10175	44.0
99.08093	14.9
105.07011	35.2
107.04944	35.5
107.08590	37.2
109.06523	36.6
109.10169	20.4
111.08087	8.9
113.06009	16.2
117.07038	13.6
117.24909	6.6
119.08565	28.0
121.06454	8.6
121.10154	22.1
122.69534	7.1
123.08061	24.9
125.09605	35.2
129.07072	14.0
130.62006	6.5
131.08553	23.7
133.06476	6.9
133.10117	12.9
135.08058	14.5
135.11705	9.5
137.09653	10.9
138.19031	6.3
142.92354	6.4
143.08623	10.9
145.10132	16.2
147.08043	16.0
147.11682	8.5
149.09648	8.7
151.11111	7.7
157.10071	9.5
159.11707	12.6
161.09628	10.6
165.09105	8.0
171.11714	10.2
173.13300	9.4
175.11198	6.8
183.11737	9.2
189.11209	29.2
199.14862	8.9
201.12723	10.2
203.10742	10.6
217.12225	6.4
217.15825	10.1
219.13812	29.2
231.13950	8.2
235.16881	14.3
249.11212	9.9
255.17477	7.7
272.95676	7.8
273.18469	49.0
291.15863	42.7
291.19553	91.7
293.55252	6.7
309.16983	100.0
309.20435	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	5.2
55.01870	13.8
55.05259	3.9
55.05510	46.0
57.03427	7.8
65.03919	3.0
67.05168	2.8
67.05507	45.3
69.03426	7.2
69.07063	19.0
71.04485	5.2
71.05003	5.0
79.05053	3.2
79.05491	42.2
81.03419	21.0
81.07056	100.0
82.80109	1.9
83.04980	14.8
83.08615	23.8
85.06536	4.4
91.04630	1.9
91.05475	26.9
93.07043	39.0
95.04971	20.5
95.08604	29.5
97.06531	9.0
97.10163	27.2
99.04478	2.4
99.08090	5.3
105.07022	19.3
107.04951	7.4
107.08599	20.4
109.06518	26.6
109.10174	14.5
111.04450	13.4
111.08091	6.1
117.07006	7.9
119.08585	14.6
121.06518	6.1
121.10143	11.4
123.08073	33.8
125.06030	2.8
125.09634	29.0
129.07013	3.9
131.08563	8.7
131.55333	1.9
133.06491	3.1
133.10110	9.9
135.08046	7.4
135.11693	9.8
137.05951	3.1
137.09624	7.3
139.11215	3.8
143.08595	4.5
143.18033	1.9
145.06502	2.7
145.10153	10.9
147.08058	4.2
147.11668	4.4
149.09615	6.3
149.13312	4.8
150.33896	2.0
151.11142	2.2
153.09109	2.4
153.12769	4.0
157.10101	5.7
159.11696	5.7
161.09477	2.3
163.11159	18.7
165.09143	10.6
169.10023	3.5
171.11639	2.6
173.09671	2.5
175.11156	4.4
177.12711	2.5
181.12280	6.3
183.11580	2.0
185.13213	2.3
187.11160	4.1
189.11198	20.5
191.10669	4.4
193.12230	10.8
195.75052	2.2
211.13246	6.3
217.15779	2.6
223.13234	3.0
227.12788	3.1
227.17941	2.6
245.19080	2.9
249.14777	3.4
255.17395	3.1
263.20010	3.1
273.18512	27.4
291.19504	61.4
309.20612	23.1
313.30234	2.1
333.16122	2.0
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
53.03949	7.0
53.27247	1.1
55.01874	6.2
55.05506	10.7
56.96547	2.0
57.03428	8.0
57.07054	2.3
59.11003	1.1
59.60731	1.0
60.08435	0.9
61.55987	1.1
65.03926	1.4
66.79136	1.0
67.05163	1.8
67.05503	22.2
69.03411	2.3
69.07065	10.1
71.04996	5.4
71.34136	1.7
72.34242	1.2
73.71024	1.4
79.05490	34.3
81.03419	13.5
81.07053	100.0
82.07345	1.3
83.04975	7.5
83.08608	4.5
83.53344	1.1
85.06522	4.4
91.05467	16.9
93.07042	19.8
95.04968	10.6
95.08605	17.9
97.06539	10.3
97.10162	3.9
99.04492	1.7
99.08083	5.5
105.07035	13.7
107.04955	7.2
107.08598	9.8
109.06516	63.2
109.10136	8.0
111.04433	7.9
111.08067	2.4
117.06966	5.4
118.71900	1.4
119.08560	7.9
121.06481	4.2
121.10121	9.1
123.08083	7.0
123.08849	1.0
123.11732	1.9
125.09631	1.6
127.07555	1.7
129.07047	3.1
131.08569	9.6
133.10162	7.3
135.08046	6.1
135.11665	8.0
137.09587	1.8
139.07530	1.2
139.11157	2.0
141.06866	2.2
143.08549	4.4
145.06509	1.8
145.10078	5.6
147.08018	2.1
147.11688	2.7
149.09605	4.2
149.13281	2.6
151.11189	1.3
153.09109	2.6
157.10085	3.3
159.07968	1.8
159.11720	6.0
161.09622	2.5
163.11148	1.8
167.10675	2.0
169.10120	1.3
171.11708	1.2
173.13235	2.3
175.11224	2.3
177.12686	2.9
183.11681	1.3
185.13199	1.5
187.11200	4.0
189.16409	1.4
195.13667	2.0
217.15843	4.9
219.13791	2.2
221.15306	1.6
241.14391	1.4
245.19077	1.6
255.17326	1.4
263.20038	2.4
273.18488	10.1
279.39755	1.1
282.21213	1.2
291.19531	29.8
309.20526	11.9
309.27872	2.5
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	8.5
55.01872	12.3
55.05510	73.0
57.03429	17.4
57.07051	3.1
57.41646	3.0
57.55970	3.7
67.05505	57.0
69.03422	13.6
69.07071	22.5
70.66095	6.5
70.66458	8.0
71.04997	6.9
79.05499	69.6
81.03422	16.9
81.07051	79.5
83.04974	11.1
83.08614	40.7
85.06554	6.1
91.05480	33.9
93.07040	80.9
95.04966	40.9
95.08595	55.3
97.06549	12.3
97.10172	56.5
99.08062	6.8
105.07028	39.1
107.04966	8.8
107.08606	33.3
109.06506	15.0
109.10176	16.4
111.04430	5.8
111.08101	11.3
113.06022	9.2
117.07023	9.8
119.08605	20.5
121.06535	3.9
121.10127	22.8
123.08062	100.0
123.11689	12.4
125.09618	44.7
129.07016	4.7
130.33276	3.2
131.08565	19.5
133.10139	12.0
135.08051	12.6
135.11717	7.0
137.05992	8.9
137.09607	9.5
139.11179	4.3
143.08562	6.1
145.06487	4.7
145.10103	16.1
147.08005	9.9
147.11668	7.2
149.09618	7.5
149.13419	3.4
153.09103	5.8
157.10121	8.9
159.11684	5.4
161.09633	5.6
163.11143	7.9
165.09119	9.2
169.12291	11.0
171.11734	4.3
175.11165	4.2
177.12740	5.2
179.10478	3.9
181.12294	4.5
187.11264	5.3
187.13347	9.5
189.11205	40.1
189.12738	4.8
193.12242	5.8
207.13838	4.2
211.13295	9.8
215.34576	3.3
223.13400	4.2
233.15233	3.4
245.19083	3.7
253.07684	3.6
255.17355	4.8
263.19958	5.3
273.18491	50.4
291.19528	63.3
309.20554	37.8
333.51312	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	6.5
55.01865	13.2
55.05511	44.7
56.96574	6.1
57.03441	29.1
57.07072	4.9
65.89017	4.5
67.05500	46.9
69.07068	26.6
70.01830	23.5
71.05002	8.0
79.05492	51.0
81.03411	6.1
81.07051	84.5
83.04960	10.5
83.08623	23.8
85.06525	8.6
91.05499	31.5
93.07052	42.3
95.04957	16.4
95.08614	28.8
97.06513	12.6
97.10161	15.0
98.21455	5.2
99.08086	11.1
105.07043	29.3
106.42366	4.2
107.04964	19.1
107.08598	33.4
109.06506	19.9
109.10161	15.6
111.04444	6.6
113.05886	4.1
117.07016	27.5
119.04962	5.6
119.08581	48.2
121.06524	9.1
121.10140	20.8
123.08083	18.5
125.09631	28.0
125.61403	4.5
129.07043	9.8
131.08574	13.7
133.06483	7.3
133.10129	12.2
135.08067	17.8
135.11723	6.6
137.09642	5.9
143.08527	10.4
145.10133	21.6
147.08028	23.6
147.11717	8.3
149.09612	8.7
149.13208	5.3
151.07495	5.5
157.10133	12.6
159.08043	8.4
159.11665	8.0
163.11229	5.7
165.09149	6.4
171.11679	8.0
173.13174	4.4
182.15460	12.0
189.11267	10.9
189.16351	9.1
193.12241	8.0
210.14893	16.8
217.15816	8.6
219.13776	7.1
235.16887	7.9
249.14815	6.8
255.17505	6.3
258.99368	4.2
273.18542	39.8
277.21591	8.2
287.18732	4.8
291.19537	100.0
309.20676	25.0
309.24182	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.89616	2.4
52.43232	2.2
55.01868	4.4
55.05512	5.2
57.03438	34.9
67.05167	2.9
67.05502	37.8
69.07069	4.1
70.42155	7.9
70.42497	3.1
71.04980	4.4
72.79180	2.4
79.05490	21.4
81.03404	3.1
81.07053	18.6
81.08639	2.3
83.08615	3.5
85.06548	35.3
91.05501	13.3
93.07052	16.6
94.45493	2.9
95.04430	4.2
95.04973	43.3
95.08586	10.9
105.07033	8.9
107.04932	4.0
107.08585	9.4
107.41401	2.4
109.06520	47.3
113.05222	5.7
113.06010	100.0
117.06998	5.7
119.08634	6.5
121.10147	5.7
123.08031	4.0
129.06946	4.8
131.08569	12.6
132.44974	2.5
133.10138	5.8
135.07095	3.7
135.08055	35.6
143.08525	2.9
145.10104	7.4
149.09602	4.4
157.10072	3.6
159.11693	3.5
161.09628	2.9
177.12692	3.0
196.34735	2.3
199.14873	4.0
201.12691	2.4
217.15900	14.7
219.13786	2.9
273.18484	16.9
289.20978	2.4
291.19583	43.2
309.20670	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	2.7
55.01869	6.5
55.05261	2.1
55.05515	34.8
56.96540	1.4
57.07082	2.1
59.04995	2.1
67.05505	22.7
69.03423	2.6
69.07072	14.0
70.17957	2.6
70.18331	6.0
79.05489	22.4
81.03420	4.2
81.07055	27.1
83.04980	5.7
83.08627	17.4
85.06496	1.9
91.05479	14.5
93.07047	16.4
95.04971	6.2
95.08617	10.8
97.06507	3.5
97.10172	23.7
98.21418	1.7
99.08109	1.7
103.05454	1.2
105.07030	10.4
107.04910	3.4
107.08584	12.8
109.06508	2.6
109.10173	8.3
111.04485	2.0
111.08062	2.8
117.07030	3.5
118.23225	1.4
119.04960	2.1
119.08595	10.0
121.06533	2.2
121.10176	5.6
123.08052	9.5
123.11707	1.9
125.09621	16.3
126.71862	1.3
128.06226	1.5
129.07019	2.6
131.08585	5.5
133.06522	3.7
133.10153	4.9
135.07994	3.1
135.11716	4.6
137.09595	1.9
143.08557	2.8
145.10133	5.5
147.08034	4.1
147.11694	4.6
149.09612	2.2
153.09122	2.0
157.10127	2.9
159.11740	1.5
161.09608	2.6
161.74043	1.8
163.11148	2.4
165.09113	4.3
168.69534	1.3
169.10190	1.7
170.51807	1.3
171.11655	1.9
173.09523	1.4
175.11143	2.0
189.11249	12.5
223.13292	2.9
245.19145	1.6
255.17639	2.1
273.18506	13.0
291.19531	100.0
292.19806	4.9
309.20740	6.1
309.24139	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	13.1
55.01865	12.2
55.05511	56.3
56.96567	8.9
57.03439	22.9
57.07080	6.7
59.04996	6.0
67.05166	5.8
67.05503	71.6
67.56859	3.2
68.99805	3.2
69.03440	6.6
69.07065	33.5
71.04984	12.5
72.08154	8.6
77.03910	3.6
79.05492	93.7
81.03430	10.7
81.07055	92.7
83.04977	9.7
83.08620	27.9
85.06535	11.4
87.87353	2.9
91.05481	65.1
93.07043	100.0
95.04977	34.8
95.08604	50.1
97.06531	13.2
97.10178	27.6
99.08084	7.3
103.05457	3.3
105.07024	39.5
107.04956	16.5
107.08587	28.9
109.06506	31.3
109.10161	24.5
109.16706	3.4
111.04475	4.9
111.08082	8.6
113.05995	13.3
117.07034	21.5
119.08591	33.6
121.06544	5.1
121.10138	48.7
123.04442	7.5
123.08077	20.5
123.11684	6.7
125.09621	23.6
127.07530	4.1
129.07010	10.3
131.08559	23.1
133.06532	4.0
133.10123	27.0
134.99722	4.6
135.08083	14.9
135.11705	9.4
137.05977	9.1
137.09628	10.2
139.11147	4.5
141.07150	3.2
143.08559	11.2
145.10132	11.8
147.08043	5.6
147.11734	10.3
149.09634	8.4
151.11163	15.8
153.09106	5.1
157.10106	8.5
158.04391	3.3
159.11707	9.0
161.09657	5.7
161.13342	3.7
162.24333	3.7
163.11172	5.4
165.09084	8.4
166.69516	3.6
167.08856	3.0
169.10173	4.1
171.11720	7.0
173.13251	5.2
175.11182	6.7
177.12820	4.5
187.11157	6.5
189.11180	21.6
189.16371	4.1
193.12184	6.2
199.14838	7.5
201.12900	3.1
207.13751	3.8
217.15883	10.7
234.06764	3.9
263.20169	4.7
273.18396	29.7
274.18710	3.1
277.08432	7.9
291.19531	44.1
309.11154	8.6
309.20511	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	4.4
55.01867	4.6
55.05509	15.3
56.96554	3.9
57.03424	3.5
57.07067	2.9
58.68537	1.0
59.05001	2.1
63.15599	1.1
65.03931	1.7
67.05164	2.1
67.05505	29.9
69.03423	2.4
69.07067	15.4
70.31059	4.5
71.04990	42.2
79.05489	44.0
80.05812	1.2
81.03402	9.2
81.07053	69.4
82.07393	1.6
83.04971	5.9
83.08614	11.9
85.06550	5.9
90.37532	1.3
91.04942	2.1
91.05473	18.7
93.07043	40.3
95.04962	16.4
95.08601	54.5
95.95417	1.1
96.08896	1.2
97.06517	9.4
97.10178	6.1
98.97577	2.8
99.04461	1.2
99.08092	2.0
101.06049	1.3
105.07024	16.9
107.04958	11.3
107.08590	23.6
107.87304	1.3
109.06512	100.0
109.10152	13.0
109.35845	1.1
110.06849	1.8
111.04476	1.9
111.08090	4.3
113.06027	5.4
116.98608	1.6
117.07012	8.7
119.04969	2.0
119.08567	12.0
121.06501	4.5
121.10140	22.5
122.03503	1.2
122.06931	1.6
123.04470	2.2
123.08079	5.0
123.11707	7.1
125.09637	2.7
127.07558	3.4
129.07022	4.7
130.07880	1.5
131.08572	9.0
133.10136	6.0
134.99669	1.7
135.08067	5.0
135.11685	26.0
137.05972	59.5
137.09605	2.3
137.13274	1.7
138.06245	1.3
139.07552	3.5
139.11180	3.1
143.08563	5.3
145.10109	10.8
147.08046	13.2
147.11690	4.4
149.01247	2.6
149.09557	2.3
149.13251	2.3
151.11243	1.5
152.07779	1.1
153.09099	2.0
153.12698	5.7
155.07001	1.3
155.08554	2.8
157.10124	5.3
159.07916	1.1
159.11699	5.5
161.09576	2.5
161.13281	3.4
163.11153	7.4
163.14819	1.8
165.09094	10.4
169.10118	1.7
171.11739	3.2
173.09613	2.5
173.13281	2.0
175.11185	2.6
177.00670	2.1
177.09103	1.5
177.12709	2.6
179.10797	1.3
181.10106	1.6
181.12254	1.9
185.13252	1.5
187.14874	1.4
191.10655	3.7
195.11732	2.1
199.11104	1.3
199.13257	2.2
199.14857	1.9
207.13766	1.3
209.13504	1.6
209.15381	1.8
213.16399	2.3
215.14297	2.2
227.17856	1.8
231.17468	1.5
235.13248	1.6
237.16516	3.9
245.19064	2.4
255.17525	3.1
273.18460	18.4
273.25635	1.2
291.19568	20.8
293.05475	1.3
309.11279	1.4
309.14694	1.8
309.20615	12.9
309.27832	3.9
309.64752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	7.8
55.01873	13.9
55.05512	34.1
57.03439	4.1
57.07068	4.5
67.05508	71.4
69.03434	5.3
69.07072	30.5
70.50656	6.8
70.51016	4.9
71.05002	10.7
73.33497	3.4
79.05497	51.3
81.03400	7.4
81.06576	4.6
81.07056	89.6
83.04984	16.0
83.08609	8.4
85.06551	9.6
91.05485	61.4
93.07043	52.3
95.04981	19.4
95.08611	32.6
97.06517	7.9
97.10161	6.6
99.04440	7.6
99.08084	4.2
105.07027	58.4
107.04969	6.6
107.08600	49.0
108.40830	2.3
109.06510	14.7
109.10161	70.3
111.04453	6.8
111.08068	6.0
113.06002	4.1
113.57476	2.5
114.36769	2.6
117.06976	12.6
119.08580	20.9
121.06519	9.0
121.10136	16.8
123.04434	2.7
123.08080	11.1
123.11716	10.1
124.11135	2.5
125.09673	5.6
127.07565	3.7
129.06975	4.9
131.08559	14.0
133.06493	7.9
133.10132	100.0
134.10423	3.6
135.08038	7.9
135.11710	10.0
137.05968	3.0
137.09631	4.8
139.07555	6.6
139.11267	2.8
143.08586	6.7
145.10138	11.3
147.08055	9.2
147.11707	8.4
149.09624	5.2
149.13321	3.6
151.11188	61.5
156.54549	2.8
157.10153	6.0
159.11687	4.2
161.09669	6.4
161.13223	3.7
165.09120	2.7
169.12259	11.8
169.63306	3.4
171.11644	7.6
172.88586	2.6
173.09584	4.2
175.11230	6.6
176.54709	2.7
179.14360	4.0
180.97665	3.1
181.08601	3.7
183.40077	2.9
187.11256	3.9
189.12822	4.9
199.14853	4.1
203.14316	4.5
207.13771	3.1
217.12274	3.9
217.19522	3.5
227.18008	4.1
245.19025	15.6
263.20062	15.5
273.18524	38.8
291.19562	64.3
292.19806	6.4
309.20865	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	309.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
56.96562	39.6
57.03429	0.5
65.74931	0.4
67.05503	3.3
69.07054	1.9
71.10777	0.7
71.11098	0.6
71.95261	5.4
72.96047	2.5
74.97601	1.6
79.05477	1.4
81.07060	3.9
83.08604	1.1
84.96022	1.3
91.05466	1.0
92.98646	1.2
93.07033	2.1
95.04944	0.5
95.08588	2.7
97.10136	0.8
97.96815	0.7
105.07018	0.8
107.04922	0.4
107.08597	0.9
109.10105	1.2
110.97581	0.7
111.04442	0.6
116.00233	0.6
121.10120	0.8
123.01182	1.0
123.08060	0.4
128.98550	2.2
133.10107	0.8
133.98865	0.7
135.11650	0.6
137.02737	0.9
137.09592	0.5
141.02168	0.8
145.10092	0.6
146.99640	4.9
151.11217	0.5
155.03812	2.0
161.01199	0.9
165.00685	1.1
167.03719	0.5
169.05327	1.3
171.03220	0.4
173.04813	0.5
179.02190	0.7
180.38576	0.4
185.04794	0.4
186.74585	0.4
189.04356	1.3
193.12198	0.5
197.08534	0.6
203.05734	0.6
207.05519	0.4
213.08038	0.4
216.94965	0.4
227.09492	0.4
259.84845	0.4
261.15689	0.5
263.20135	0.5
267.12659	1.1
273.18295	0.7
285.13504	0.4
291.16278	42.6
291.19168	1.7
292.16611	0.4
305.36292	0.4
309.17337	100.0
309.28851	1.4
310.17737	1.9
327.18405	36.3
328.18668	0.5
332.18927	10.8
333.19247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1557
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.92124	1.0
55.02989	2.8
55.05510	9.9
56.96560	2.2
59.04860	1.4
60.05649	13.0
64.32263	1.0
65.03925	2.2
69.03402	1.3
70.06587	7.9
71.28915	2.5
72.08154	64.5
73.04039	1.4
73.06527	3.3
77.03923	1.4
79.05481	8.5
79.08686	1.1
81.07020	1.2
84.08128	3.8
85.02936	1.6
86.07185	3.4
86.09697	2.1
87.07486	1.4
87.07964	3.5
91.05469	2.4
93.03390	2.8
95.04951	3.9
97.07656	12.9
98.06049	16.8
98.97574	1.6
99.92999	1.1
105.01636	1.3
105.03391	9.9
107.04955	35.9
109.02872	1.5
109.06518	1.3
111.04453	5.8
114.10287	50.6
115.08685	16.9
116.98641	1.6
117.03406	1.3
119.04942	1.8
122.05910	1.3
123.04432	7.7
131.12926	20.0
132.04401	2.9
133.02849	42.3
134.06023	4.3
134.99641	1.7
135.04417	31.5
140.08202	8.5
147.04382	4.4
150.05521	5.7
151.03900	28.9
152.07083	1.6
157.10863	14.2
160.03925	3.2
161.02333	43.1
161.05959	1.3
162.05524	2.5
163.03918	1.7
164.07118	2.4
164.09315	22.2
178.04990	5.9
179.03387	77.9
180.03737	2.7
185.57277	1.3
188.10553	1.5
189.06912	1.7
190.05000	3.5
192.10158	3.1
203.11745	2.4
204.10197	3.9
205.13310	3.7
206.07214	1.5
206.11740	12.5
217.06551	1.6
220.07188	3.6
221.12854	1.6
222.11191	3.7
231.11299	8.1
232.09679	34.2
234.06732	3.9
246.12363	10.3
248.14069	4.3
249.09145	3.8
249.12268	4.3
250.10773	8.4
262.06345	3.1
263.14993	2.0
265.16617	11.6
274.11880	11.2
277.08594	10.8
281.16199	7.2
291.14511	65.3
309.11490	4.1
309.15546	100.0
310.11475	7.7
310.15359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1302
Annotation	NECA
Peak:m/z	Relative Intensity
55.01862	1.9
55.06149	0.9
55.35857	0.9
56.96552	1.0
57.03425	2.5
61.02911	0.8
69.03422	1.5
70.04060	1.4
70.06583	1.0
70.07328	4.3
72.08139	1.6
73.02924	1.2
84.08115	1.4
85.02885	2.8
85.77920	0.7
89.21269	0.8
93.65224	0.8
97.02865	1.7
98.97621	1.0
108.05578	1.7
109.05099	5.1
115.03924	1.7
116.98638	0.9
121.05119	4.2
123.06683	1.0
124.05190	1.1
133.05070	3.2
134.99754	0.8
135.06665	6.6
136.06180	37.4
137.04576	2.3
137.07036	7.4
138.07756	6.7
142.37543	1.0
148.06175	1.4
150.05492	3.3
150.07710	7.9
151.06203	1.9
154.83192	0.8
160.06184	50.3
162.07744	4.6
166.07236	1.1
174.07605	1.3
177.08836	100.0
178.07253	2.5
178.09032	0.8
179.08066	1.0
190.07253	0.9
241.88068	0.9
249.10753	1.0
266.08774	0.9
292.10446	1.6
309.13010	21.6
314.22861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1545
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.70362	0.8
53.03947	2.4
53.20174	0.7
55.01867	2.7
55.05522	8.7
56.96581	1.6
57.03444	5.8
57.07080	1.2
59.05012	1.3
60.40391	0.8
61.02932	10.3
67.05514	4.7
67.94913	0.7
69.03434	19.0
69.07065	3.4
70.06590	1.7
71.04987	3.2
73.02924	4.7
76.02230	2.0
79.05492	5.8
81.03426	8.7
81.07068	5.5
83.04993	1.0
83.08622	21.6
83.09111	1.6
84.04510	1.6
84.08155	2.1
85.02908	100.0
85.06552	2.2
86.03234	1.0
86.09709	3.1
87.04462	2.3
91.03961	5.8
91.05486	6.1
93.07043	4.8
95.04980	3.6
95.08611	2.2
97.02898	21.2
97.06530	1.9
98.97592	1.4
99.04469	5.0
100.15046	0.8
101.09657	6.8
101.47269	0.9
103.03942	0.9
103.05473	1.9
105.07046	4.3
107.04914	1.8
107.08627	2.7
109.02879	8.1
109.06554	1.3
109.10139	1.2
115.03942	1.7
117.06993	1.4
119.04906	4.0
119.08586	2.6
119.10738	1.0
120.08097	0.8
121.06531	1.0
121.10188	1.3
123.08060	2.0
125.09628	1.0
127.03913	21.2
127.04794	1.6
128.91020	0.8
129.07028	1.1
129.10301	1.0
131.08589	2.1
133.10136	1.9
134.99767	1.4
135.08075	2.9
135.11713	1.0
137.06003	1.5
137.09641	2.2
145.04965	22.0
145.10121	2.5
147.04402	13.3
151.07533	1.0
163.06076	3.6
163.07497	1.5
171.11679	1.1
177.00586	1.1
178.07811	1.2
189.06989	2.8
206.07278	1.6
217.06543	1.9
234.06743	6.1
247.07784	0.9
248.08267	1.7
249.09204	4.0
262.06296	3.2
265.08496	1.0
273.18509	1.0
277.08545	13.1
277.11154	1.0
279.92459	0.7
291.10147	1.4
291.19489	1.8
294.08716	0.9
309.07690	1.7
309.10956	11.3
309.20786	3.8
314.08157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
56.96576	1.3
57.03430	0.5
60.04538	0.6
62.97604	0.4
67.05510	0.7
69.03440	1.4
69.46819	4.0
70.06611	1.8
71.05009	0.7
72.08162	1.0
72.13761	0.4
73.86823	0.4
79.05530	0.7
81.03429	1.5
84.04527	1.6
84.08165	1.8
85.02920	2.1
85.06556	0.4
86.09708	3.9
91.05476	2.8
94.62067	0.4
95.08598	0.6
97.02901	0.9
98.97620	0.8
105.07034	0.9
107.05031	1.1
108.20495	0.4
108.29420	0.5
109.02921	0.8
110.07139	0.6
111.04475	0.8
116.98630	0.8
119.04950	6.4
119.08665	0.5
120.08141	1.4
123.11721	0.5
129.10245	1.1
133.06490	0.5
135.08069	1.5
146.99667	0.5
147.04413	27.2
163.07523	0.9
165.05635	0.8
178.07799	1.4
182.55278	0.4
187.07671	0.5
189.06982	14.4
190.07594	0.7
203.08527	0.7
205.06523	2.1
206.07281	10.0
207.08040	0.7
213.65126	0.4
217.06488	17.4
218.07246	4.3
219.08066	0.5
221.09641	0.7
231.08098	1.1
233.06015	1.7
234.06758	42.5
235.07512	1.8
245.06062	3.3
246.06842	1.8
247.04858	0.4
247.07520	1.1
248.08357	5.5
249.09123	34.5
250.09477	0.7
251.07083	0.6
262.06247	23.6
263.06964	1.9
276.07822	3.7
277.08597	100.0
278.09152	3.7
291.10223	12.8
293.08020	0.5
294.08789	2.2
309.11185	37.7
310.11218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.67631	0.4
57.07051	0.7
58.53367	0.5
67.05501	1.6
68.79320	0.6
69.03374	0.5
69.07064	1.1
69.30293	0.5
70.67352	0.5
71.08611	0.7
76.02246	0.6
79.05489	0.7
81.07059	2.9
91.05461	0.7
92.21827	0.5
94.04178	2.2
95.04947	0.6
95.08581	1.5
97.53104	0.5
98.21609	1.1
100.05614	0.5
103.44270	0.5
108.65254	0.5
122.03645	6.8
137.05975	100.0
138.06332	1.4
140.28242	0.5
153.11813	0.5
172.16914	1.5
184.16982	3.1
229.49445	0.7
305.05322	0.7
308.29202	0.6
311.51474	0.6
318.08578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01857	1.2
55.05514	2.4
56.96548	1.1
57.03423	1.2
63.19048	0.5
67.05504	2.3
69.03432	3.6
69.07040	1.6
70.84750	1.1
71.01318	0.5
71.04971	1.4
79.05482	4.0
81.03399	1.5
81.07052	3.6
83.04970	5.3
83.08591	0.8
85.02895	1.9
85.06530	0.9
86.09677	0.9
89.03903	7.5
91.05470	3.4
93.07036	2.3
93.25427	0.4
95.04951	2.9
95.08599	2.1
97.02872	0.9
97.06525	1.4
100.01181	0.5
103.05381	0.6
105.07029	2.4
107.04939	3.4
107.08589	1.6
109.06484	1.5
109.10135	1.5
111.04418	2.9
111.08070	0.6
116.98576	0.7
117.02599	0.7
117.03367	8.1
117.07003	1.2
119.04930	0.9
119.08582	2.3
121.06449	0.6
121.10134	1.3
123.04420	1.9
123.08042	1.0
125.09621	0.7
127.03906	0.8
129.05446	0.7
129.07018	1.1
131.04912	0.6
131.08549	1.4
133.10100	1.2
135.04402	19.9
135.08025	0.7
135.11690	0.7
136.07549	1.5
137.05916	0.5
142.07675	0.4
143.08582	0.9
145.02837	12.5
145.03944	0.4
145.10103	1.1
146.99583	0.5
147.04387	0.9
147.08038	0.7
147.11693	0.5
151.11285	0.6
157.10147	0.6
159.11667	0.5
163.03889	100.0
163.11130	0.8
164.04221	1.5
171.11626	0.6
173.13170	0.5
175.11191	0.6
181.04965	1.0
189.07011	1.1
189.12680	0.5
207.06508	0.5
207.13760	0.6
217.06558	0.8
219.01779	0.6
234.06760	1.6
235.13280	0.6
237.02808	0.7
249.09050	1.6
255.17181	0.6
262.06195	0.9
273.07675	0.5
273.18582	0.8
277.08612	4.5
281.01611	0.4
291.08771	0.9
291.19507	1.4
309.09781	3.0
309.17087	1.1
309.20639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05038	1.5
56.96546	0.7
57.98803	0.9
58.42113	0.3
58.99583	19.0
59.99934	0.3
65.02386	0.4
69.03444	0.3
70.06597	0.4
70.20438	1.1
72.93744	0.4
73.01130	0.7
76.02224	100.0
76.03990	3.7
77.02554	0.5
80.05025	1.3
81.03381	0.3
83.06099	1.0
84.04500	44.7
85.02903	0.8
86.99046	4.7
88.02212	1.9
90.33334	0.4
91.76049	0.3
100.02192	0.4
102.05535	0.7
105.68224	0.3
106.21468	0.3
114.03735	1.4
116.01673	21.0
116.98579	0.5
124.02173	0.6
130.04021	0.6
130.04997	12.0
141.04791	1.0
142.03218	10.8
144.01141	11.2
144.02245	0.2
146.02693	0.6
162.02197	36.5
163.02490	0.8
170.02708	2.7
179.04848	39.0
180.05060	0.5
187.05391	2.5
188.03745	0.4
199.05370	0.3
215.04813	2.1
216.03206	0.5
227.04765	0.5
233.05896	12.5
245.05855	3.0
248.59508	0.3
290.07959	0.8
291.06421	1.8
308.05939	0.3
308.09113	4.4
327.09177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04736	1.0
56.96564	63.5
64.70052	0.9
67.05490	1.2
71.59193	1.4
71.59589	1.2
71.95270	6.5
72.96039	3.5
74.97614	2.2
76.02228	1.5
84.04508	1.2
84.96010	1.7
92.98672	1.2
93.07049	1.9
94.19429	1.1
95.08582	1.4
109.10150	1.3
110.26233	1.2
123.01201	1.3
126.88557	1.0
128.84604	1.0
131.13657	1.0
137.02736	1.6
141.02217	1.9
146.99657	2.1
150.05489	1.1
155.03825	3.9
157.01759	3.2
157.42339	1.0
159.03319	4.1
171.03329	2.4
173.04836	1.7
175.02628	1.1
177.04303	1.5
179.04904	1.2
185.04877	3.1
187.02773	1.7
189.04387	3.3
199.02786	1.8
203.05949	2.9
211.06479	2.3
217.03819	3.1
217.07336	2.3
223.09917	5.2
229.07489	2.6
237.08125	1.9
241.11101	56.0
242.11557	1.4
249.07951	2.0
255.09090	1.4
259.12180	100.0
260.12454	1.4
261.12732	1.4
264.12729	6.1
267.09030	13.3
277.13385	1.5
282.13800	6.6
285.10080	68.8
290.18372	2.3
303.11124	56.8
305.12054	1.1
308.11810	10.4
308.19257	1.3
308.26785	1.4
321.12231	1.4
326.12839	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	308.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01852	0.5
55.05508	24.6
56.96563	0.9
57.03455	0.5
58.99580	1.7
65.86025	0.4
69.03428	0.6
70.04239	0.4
70.06581	1.7
71.04976	1.0
71.59165	0.6
72.08156	2.6
76.01822	0.9
76.02226	9.3
76.03993	1.2
81.07059	0.5
84.04500	4.7
84.08144	1.7
84.19064	0.4
85.02898	1.2
85.06538	100.0
86.06815	0.5
86.09699	1.7
91.05492	1.5
98.97571	0.7
104.13045	0.6
105.13554	0.5
105.51268	0.5
116.01678	2.0
116.98650	0.7
120.08111	0.8
130.04974	1.4
142.03207	0.9
144.01183	0.6
147.04416	1.7
162.02190	4.1
179.04852	4.2
208.02960	0.5
216.69557	0.5
233.05850	1.3
248.03789	0.8
273.23871	0.5
276.03311	1.2
308.05844	39.8
309.06226	0.7
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	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.05507	19.6
55.11534	1.9
56.96555	6.3
57.03419	2.6
57.07066	4.4
59.04987	3.8
67.05505	29.3
69.03421	2.9
69.07063	17.6
71.04980	10.7
71.20834	2.1
71.21178	4.0
73.06559	3.3
79.05495	25.1
81.03420	3.3
81.07058	31.2
83.04988	4.7
83.08607	8.2
85.06544	4.3
91.05479	38.7
93.07044	31.4
95.04990	9.0
95.08613	21.2
97.06554	9.1
97.10210	3.0
98.97607	2.2
99.08124	2.2
103.05483	2.5
105.07025	43.7
107.04972	5.6
107.08582	21.6
108.08907	2.2
109.06516	18.4
109.10145	12.0
111.08102	3.3
115.05463	1.9
116.98560	3.0
117.07002	12.4
119.08572	35.1
121.02864	10.4
121.06528	9.3
121.10146	13.5
123.08044	15.9
123.11678	3.7
125.09663	3.0
129.07025	4.6
131.08554	16.9
133.10130	21.4
134.99547	2.4
135.08075	7.7
135.11705	5.6
137.06018	2.3
137.09653	9.8
140.31508	1.9
145.10078	14.8
147.08044	2.1
147.11667	17.0
149.09622	9.3
149.13217	2.0
151.11191	12.4
155.08647	5.6
159.11700	8.7
161.09718	3.5
161.13239	5.2
163.11183	13.4
165.12747	9.1
168.37592	1.9
169.10164	3.6
171.11749	4.6
173.13303	5.5
175.11194	3.4
177.12769	4.0
178.00996	2.2
179.14343	3.9
183.11688	3.0
185.13344	2.6
189.12831	2.6
191.14308	2.0
197.13313	4.0
213.05685	2.7
229.19554	6.1
233.15430	4.5
239.18027	8.6
243.17513	2.7
247.20573	4.2
249.18709	2.2
257.18973	9.7
261.03284	5.9
275.20056	53.0
289.18091	5.4
289.21637	3.6
307.09671	8.8
307.19604	4.8
307.22733	100.0
308.23117	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.73051	2.4
54.20635	2.2
55.05508	12.5
57.07058	4.1
59.27058	2.1
67.05505	82.2
69.07073	14.2
71.08640	3.2
71.60088	4.8
79.05506	12.4
79.08295	2.6
79.76857	2.3
81.07059	100.0
83.04945	3.2
83.08614	6.5
85.06572	2.5
90.68254	2.2
91.05457	6.9
93.07061	11.9
95.04957	7.2
95.08611	84.6
97.06512	3.2
97.10184	4.2
105.07046	6.2
107.04923	3.7
107.08582	9.0
109.06504	3.3
109.10164	31.2
113.00004	5.2
118.70112	2.7
119.08641	2.9
121.10123	8.4
123.11684	18.4
131.08586	5.9
133.10130	5.4
135.11629	5.7
137.09549	2.6
137.13234	9.5
147.11784	2.5
149.13312	2.9
151.11165	4.1
151.14667	4.2
159.11710	2.8
163.11215	5.8
165.12762	5.5
169.02663	5.4
173.13239	2.5
175.22078	2.5
187.14816	2.9
220.70288	2.7
264.42532	2.5
275.20050	6.9
282.76950	2.8
300.73981	2.7
307.22610	16.9
307.26355	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94895	5.2
53.03937	10.5
55.01870	17.4
55.05509	35.7
56.96559	16.9
57.03427	9.9
65.03918	4.6
65.23240	4.2
67.05503	53.0
69.03424	6.9
69.07061	21.3
69.43111	4.3
69.85866	28.1
71.04991	9.1
79.05492	62.7
81.03401	13.5
81.07055	92.0
83.04987	9.5
83.08603	23.0
85.19903	4.0
91.05463	53.0
93.07047	52.3
95.04968	30.6
95.08601	43.9
97.06517	24.8
97.10178	12.7
98.21436	5.7
105.07030	58.4
107.04971	22.0
107.08601	60.1
107.29082	3.8
109.06504	32.9
109.10171	19.6
111.04465	4.7
111.08066	12.7
117.07007	18.6
119.08591	36.3
121.02869	5.4
121.06507	23.0
121.10133	21.0
123.08067	14.5
123.11690	8.0
124.24102	4.5
125.09609	19.4
129.07072	6.7
131.08588	23.6
133.10149	25.3
135.08080	17.4
135.11729	20.2
143.08557	9.2
145.10100	26.1
147.08011	6.5
147.11690	22.5
149.09613	19.9
149.13283	7.8
151.11166	5.1
155.08643	6.4
157.10150	9.6
159.11723	15.2
161.09660	7.8
161.13298	5.9
162.61954	4.0
163.11195	14.2
171.11734	9.1
173.13271	9.4
175.11174	4.8
187.11131	5.8
195.11644	4.2
197.13344	5.3
203.12831	8.1
211.06442	5.4
214.79564	4.2
221.06677	4.9
229.19580	7.8
232.12595	4.3
233.15356	6.2
239.18092	8.3
247.20543	5.7
257.18994	16.0
261.03128	13.5
275.17340	3.5
275.20062	100.0
289.17966	24.2
289.21115	6.0
307.09555	6.1
307.19281	10.1
307.23148	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01857	7.9
55.05507	23.5
56.96557	3.1
57.03433	10.5
57.07067	9.2
67.05500	27.8
69.03419	2.2
69.07065	14.8
69.38084	20.4
71.04964	3.5
71.08625	4.7
76.02238	2.0
79.05488	23.9
81.07050	37.6
82.07388	3.7
83.04996	3.2
83.08617	11.0
85.06549	4.5
91.05480	18.3
93.07037	21.5
95.04961	24.0
95.08611	27.7
97.06523	13.8
97.10165	6.7
98.06047	11.3
99.06385	3.8
99.08085	3.9
105.07025	22.6
107.04960	3.5
107.08585	27.3
109.06506	38.8
109.10162	10.1
111.08117	2.7
117.07005	5.3
119.08566	19.3
121.06483	7.7
121.10120	11.1
123.08038	4.8
124.08572	2.0
125.09645	7.9
129.06984	3.5
131.08583	10.4
133.10089	12.0
135.08072	6.5
135.11708	5.7
137.05997	2.3
137.09564	4.5
143.08533	2.7
145.10089	11.4
147.11681	11.5
149.09636	9.9
151.11189	3.5
153.09099	2.0
155.08595	2.5
157.10133	3.7
159.11699	7.5
161.13246	5.6
163.11186	5.0
163.14796	2.7
165.12740	77.2
171.11748	3.0
173.13312	2.7
177.12717	5.0
183.11612	2.1
185.13231	2.4
191.14264	3.8
201.16447	3.3
203.12740	2.7
203.14351	3.1
219.17422	14.0
235.17017	3.0
239.17912	2.9
247.20624	5.7
251.16397	5.7
257.18912	6.8
261.03043	2.9
261.22198	4.3
275.20071	40.8
289.21561	22.8
297.22128	2.0
307.22641	71.1
307.28226	100.0
308.22870	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	3.4
55.01884	5.6
55.05510	13.2
57.07060	2.4
65.03909	1.6
67.05505	36.0
69.03410	3.2
69.07066	27.4
70.03159	5.1
71.04993	3.2
79.05487	22.0
81.03383	1.2
81.07055	44.5
83.04975	8.0
83.08619	5.7
85.06523	2.2
91.04958	2.2
91.05482	24.2
93.07044	28.0
95.04958	9.4
95.08603	25.1
97.06541	5.7
97.10165	3.6
103.05467	1.3
105.06310	1.7
105.07028	28.8
107.04962	9.0
107.08597	20.1
109.06512	13.6
109.10149	13.3
111.08091	1.7
112.50787	1.1
113.00069	1.6
117.07027	8.3
119.08588	16.9
121.06504	11.4
121.10155	10.4
123.08052	6.6
123.11712	4.3
129.07005	1.9
130.07779	1.3
131.08557	16.8
133.06479	4.2
133.10143	23.8
135.08049	5.0
135.11714	5.8
137.06027	1.4
137.09605	3.8
137.13222	1.4
141.06985	1.8
143.08543	4.2
145.06465	2.8
145.10120	14.9
147.08035	3.8
147.11674	13.9
149.09641	6.9
149.13278	3.8
151.11130	8.4
153.09137	1.1
157.10115	3.5
159.08080	3.2
159.11694	8.5
161.09619	3.6
161.13271	4.2
163.11153	6.8
169.02618	1.9
169.10139	2.5
171.11650	3.1
173.09578	2.1
173.13281	7.0
175.11183	3.0
177.12769	3.3
183.11678	3.5
187.11092	2.0
189.12651	1.8
191.14308	4.6
197.13278	2.0
201.12799	4.4
203.14268	1.3
205.12321	1.2
207.13768	2.8
213.16447	1.7
215.14397	1.9
215.17941	1.3
219.13840	6.9
229.19579	4.5
231.17331	1.3
233.15334	2.1
239.18027	2.6
247.20590	5.3
251.16414	1.2
257.18988	14.2
275.20065	100.0
276.20477	3.7
289.21536	5.8
307.22699	47.5
307.28195	2.2
308.22870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.77486	2.5
53.03930	7.5
55.01855	10.4
55.05509	31.7
57.03436	25.9
57.07075	4.2
65.03939	4.1
67.05170	4.8
67.05502	58.4
69.03426	4.0
69.07069	26.3
69.66422	14.5
69.66844	6.7
71.04974	4.3
72.07536	2.8
79.05493	52.5
81.03400	7.2
81.07056	88.5
83.04973	6.7
83.08615	15.9
85.06532	6.4
88.85273	2.9
91.05475	66.0
93.07047	63.7
95.04976	24.9
95.08604	57.0
96.08995	3.5
97.06521	11.0
97.10163	9.4
97.85928	2.9
98.20786	3.6
99.08069	5.1
105.07030	69.9
107.04939	9.6
107.08583	40.8
109.06507	30.7
109.10161	24.2
111.08051	9.7
117.07009	21.9
119.08582	57.1
121.02848	3.8
121.06499	5.4
121.10156	30.4
123.08044	20.5
123.11681	4.9
125.09629	6.5
129.06973	8.9
131.08572	26.0
133.10133	34.0
135.08046	9.0
135.11684	13.3
137.09627	17.1
139.11183	3.8
143.08527	8.0
145.10130	25.3
147.08078	3.1
147.11697	25.9
149.08575	2.6
149.09601	21.3
149.13199	6.1
151.11179	6.9
155.08571	4.4
157.10120	7.4
159.11728	31.6
161.13239	11.8
163.11168	10.4
165.12764	2.8
171.11679	5.5
173.13258	16.6
175.11226	4.5
175.14912	4.0
183.11742	5.8
185.13235	16.7
187.11063	3.7
197.13278	5.2
199.14772	3.9
201.16435	4.6
203.14346	16.6
218.35506	3.2
219.17447	64.5
229.19601	5.3
235.16931	10.5
239.17972	8.0
247.20592	10.3
257.19022	20.7
275.20074	100.0
278.02399	2.7
289.21594	12.3
307.22833	35.4
307.28430	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	Unknow
Peak:m/z	Relative Intensity
51.25885	5.0
51.73093	4.7
53.03944	5.8
55.01860	13.2
55.05511	38.4
56.78789	5.1
56.92418	4.3
56.96558	11.2
57.03414	6.7
57.07061	9.4
58.99626	4.3
62.04126	5.4
66.90251	4.7
67.05502	84.3
69.03416	6.6
69.07061	27.0
71.04972	19.4
71.60561	5.5
76.02208	20.6
79.05487	77.3
81.03406	13.0
81.07058	100.0
83.04966	22.9
83.08605	19.6
84.04509	6.6
84.96592	4.8
91.05475	68.7
93.07040	53.4
95.04953	28.9
95.08134	6.2
95.08617	68.0
96.17339	6.4
97.06520	33.2
97.10162	7.9
97.41177	4.6
104.01484	5.2
105.07026	52.4
107.04965	10.2
107.08584	33.7
109.06529	34.0
109.10154	12.4
111.08092	11.4
117.07044	11.8
119.08587	42.6
121.06528	4.7
121.10139	22.6
123.08074	62.7
123.11729	8.0
125.09612	5.4
128.98596	5.6
131.08553	19.0
133.10127	36.9
135.11673	11.3
137.05960	14.7
137.09590	12.6
137.13246	7.4
138.06325	10.6
145.10083	21.9
147.08025	7.4
147.11662	19.9
149.09657	6.3
149.16623	4.7
151.11142	8.1
159.11700	12.0
161.13287	14.0
177.12646	6.0
179.04907	9.3
183.11658	6.1
194.11722	7.7
195.12077	12.0
213.05432	4.9
251.18277	15.6
253.10902	6.2
261.03143	7.6
271.12128	7.8
275.20059	16.4
289.21722	7.3
307.22873	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	307.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	3.8
55.01866	3.8
55.05492	4.3
57.03430	5.1
67.05509	12.5
69.07051	10.3
70.84721	5.5
70.85077	5.5
79.05491	14.4
81.07068	21.4
83.08604	4.4
87.31622	3.4
91.05480	21.3
91.55339	3.1
93.07019	19.0
95.04974	26.4
95.08600	8.3
97.06532	15.8
105.07037	39.0
107.08595	16.4
108.23733	3.5
109.06488	4.8
109.10151	7.0
115.05442	4.8
117.07032	13.8
118.13630	3.9
119.08598	41.6
121.10136	12.2
123.08099	4.6
128.06187	16.3
129.07024	11.0
131.08577	17.4
133.10124	50.9
141.07021	9.5
142.07788	14.4
143.08553	41.1
145.10129	31.9
147.08038	7.6
147.11722	9.0
154.07793	5.6
155.08546	9.3
156.09331	13.0
157.10106	29.3
158.10976	8.5
159.08115	4.6
159.11673	23.3
161.09641	9.8
165.06984	5.6
167.08600	21.0
168.09406	4.1
169.10138	22.2
170.10867	4.8
171.11676	16.6
173.13232	13.7
179.08635	7.4
181.10172	13.6
182.10945	15.2
183.11690	14.8
187.11137	8.5
192.09267	3.7
193.10089	16.8
194.10927	6.5
195.11703	17.2
196.12535	5.5
197.13336	23.4
199.14896	5.2
205.10132	4.6
206.10909	9.8
207.11658	19.0
208.12477	9.8
209.13240	17.1
211.14848	19.0
218.10939	5.3
219.11626	7.0
220.12476	7.2
221.13266	28.1
222.13927	6.1
223.14838	13.5
231.11678	6.6
232.12378	5.0
233.13249	15.9
234.14018	8.2
235.14835	9.4
236.11913	4.3
237.16426	9.6
247.14738	8.0
248.15614	7.8
249.16447	16.2
251.14270	9.5
251.17889	4.0
259.14819	12.1
263.17932	28.4
265.15805	6.1
265.19785	3.7
274.17123	10.4
279.21146	8.1
289.19473	26.2
307.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2052
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
50.84473	1.7
55.01871	3.5
55.05510	7.3
57.03428	4.5
57.07058	2.7
65.03925	2.4
67.05512	11.9
69.03416	2.3
69.07068	8.4
70.73742	5.1
71.04999	3.3
79.05479	17.6
81.03407	2.0
81.07059	22.2
83.04981	5.5
83.08592	3.3
91.05481	19.1
93.07047	18.2
95.04967	25.0
95.08626	10.3
97.06532	15.0
105.07024	42.5
105.07672	2.9
107.08580	10.0
109.06479	7.5
109.10203	2.3
115.05470	3.7
117.07030	12.3
119.08574	35.3
121.06492	4.9
121.10149	9.8
123.08097	3.4
128.06226	16.7
129.06981	10.9
130.07722	2.9
131.08580	16.0
133.10123	52.7
135.08067	1.8
135.11671	2.0
137.09645	1.8
141.07022	7.1
142.07776	12.9
143.08557	33.4
144.09366	8.4
145.06488	3.3
145.10123	24.6
147.08104	7.9
147.11696	6.1
149.09607	3.5
153.06992	2.7
154.07773	5.6
155.08583	9.3
156.09377	9.2
157.10138	26.1
158.10922	5.9
159.08037	3.9
159.11693	18.4
161.09709	9.2
165.07047	4.8
166.07776	3.2
167.08614	14.7
168.09338	5.6
169.10120	20.2
170.10901	4.7
171.11674	15.3
172.08885	2.1
173.09663	2.9
173.13281	9.9
179.08514	9.2
180.09329	4.2
181.10165	10.5
181.11562	1.6
182.10875	12.6
183.11694	11.0
184.12512	5.2
185.09679	4.5
185.13243	5.5
187.11214	7.1
191.08661	1.8
192.09386	5.9
193.10124	14.8
194.10881	9.2
195.11678	17.1
196.12526	6.9
197.13237	17.3
198.14035	3.4
199.11125	2.0
199.14818	6.0
203.08569	4.4
204.09390	3.2
204.39734	1.8
205.10100	3.7
206.10948	12.5
207.11652	18.1
208.12451	9.3
209.13266	17.1
210.14008	2.8
211.14818	12.5
213.12741	2.9
217.10103	4.5
218.10971	6.2
219.02145	1.8
219.11765	9.5
220.12515	6.2
221.13217	20.4
222.14061	5.7
223.11273	3.0
223.14777	15.5
225.16420	3.2
227.14279	2.3
229.10268	1.9
231.11699	4.9
232.12560	5.3
233.13258	14.0
234.14035	8.2
235.14815	7.1
236.12038	2.3
236.15793	1.7
237.12907	2.3
237.16385	7.3
244.12529	4.4
245.13293	6.3
246.14044	4.2
247.14899	9.9
248.15532	7.6
249.13087	1.4
249.14114	1.4
249.16341	8.8
251.14349	7.2
251.18071	3.9
259.14828	10.8
260.15594	2.9
261.03214	3.7
261.16330	3.5
263.17963	22.7
263.91483	1.8
264.18567	2.1
265.15823	3.5
265.19577	2.8
271.16812	2.4
272.07480	2.5
274.17178	9.7
275.20172	2.1
277.16040	1.6
277.19885	1.7
278.78287	1.6
279.21158	7.4
289.19659	23.3
307.20587	100.0
308.20789	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01872	15.5
55.05513	57.4
56.96555	16.8
57.03433	32.6
60.31511	6.4
63.45066	5.1
67.05499	46.0
69.07069	12.9
69.73402	41.2
79.05497	45.6
81.03410	12.3
81.07063	43.1
83.04964	11.0
83.08629	28.4
91.05466	32.4
93.07021	34.3
93.77867	5.3
95.04974	14.7
95.08621	16.3
97.06485	6.4
97.10177	37.1
104.60248	5.9
105.07043	18.3
107.04957	29.9
107.08576	31.1
109.10143	16.0
117.07017	12.2
119.08580	16.1
121.02892	9.8
121.06496	16.3
121.10133	7.4
123.04412	7.8
125.09647	31.0
131.08521	12.1
133.10114	6.0
135.08054	19.7
137.09589	7.0
145.06572	7.5
145.10126	6.7
147.08054	11.0
149.09607	6.8
151.11232	8.2
157.10089	8.0
159.08064	45.7
171.11740	8.7
173.09563	6.5
177.09053	11.0
189.11255	16.4
191.10677	12.6
215.14333	19.8
233.15408	25.0
253.15926	8.4
261.02975	13.4
271.17047	36.3
289.17975	100.0
301.14334	6.7
307.09497	12.2
307.19070	10.6
316.20374	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	2.3
56.96573	0.9
57.07081	0.5
58.06601	4.4
61.01154	0.8
67.67547	0.4
69.03429	0.5
69.58157	0.4
70.06604	0.6
70.20972	1.4
72.08159	0.7
78.75021	0.4
82.93997	0.5
83.58267	0.4
84.04504	25.1
84.08143	100.0
85.02930	0.5
86.06064	6.5
86.09715	6.1
88.03993	3.0
98.09637	0.5
98.97580	0.6
99.09200	0.8
102.09155	0.6
105.72964	0.4
106.81843	0.4
116.98631	0.6
130.08647	1.5
132.08441	0.7
140.03430	0.7
141.13863	7.0
144.10199	0.7
146.06003	0.9
156.75958	0.4
166.94543	0.5
169.13359	9.3
198.11244	1.3
215.13911	39.8
243.17050	46.0
244.17560	0.6
262.11008	2.3
300.68097	0.5
307.16846	15.0
309.34415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56380	1.0
53.03938	3.3
55.01877	6.6
55.05270	1.9
55.05511	26.2
56.39714	1.0
56.96552	3.0
57.03436	5.5
57.07063	3.1
59.04978	1.1
65.03900	1.4
67.05502	19.7
69.03421	4.8
69.07067	17.8
69.59325	8.8
70.11115	1.3
71.04980	2.1
71.08633	1.7
79.05488	16.2
81.03401	3.1
81.07055	31.7
83.04958	4.1
83.08620	14.5
85.02934	1.1
85.06532	3.1
91.05482	18.8
93.07041	15.5
95.04984	8.6
95.08604	21.4
97.06506	4.5
97.10176	15.5
98.97576	2.7
99.08100	1.7
103.05480	2.7
105.07040	10.9
107.04942	3.9
107.08600	16.6
109.06528	15.9
109.10152	14.6
111.08083	1.9
111.11694	1.3
113.06002	2.3
115.66020	1.2
116.98608	3.5
117.07008	3.7
119.08557	8.8
121.06506	100.0
121.10125	6.7
122.06780	1.3
123.04519	1.4
123.08042	6.1
123.11706	5.9
125.09624	11.9
129.07014	2.7
131.08559	3.8
133.06552	1.4
133.10136	5.7
134.99669	2.4
135.08031	7.1
135.11703	3.9
137.09669	5.6
137.13208	2.8
139.11163	1.5
141.07059	1.7
142.07735	1.4
143.08528	1.8
145.06487	1.2
145.10085	4.5
147.08034	4.6
147.11659	4.4
149.09627	2.4
149.13216	4.4
151.07486	1.5
151.11272	1.4
157.10120	3.2
158.99632	1.7
159.08054	31.5
159.11682	2.4
161.09589	1.7
161.13237	3.4
163.07497	2.5
163.11322	1.6
163.14828	3.1
165.12743	2.3
169.10092	1.7
173.09627	2.9
173.11731	1.2
173.13135	2.0
175.11200	1.4
177.00740	2.0
179.03339	1.1
183.11815	1.4
185.09644	2.8
187.14835	2.6
189.11172	4.2
191.02281	1.3
191.17894	1.2
193.12225	1.8
197.09641	2.5
197.13210	1.1
199.11215	2.0
201.16364	1.4
207.34454	1.0
215.14357	2.0
233.15259	2.4
243.17448	2.0
253.15805	6.6
261.18448	1.8
271.16913	9.1
271.24216	2.3
289.17972	21.1
289.25134	2.7
307.10687	3.3
307.18973	7.3
307.26218	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	307.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.6
62.23388	0.5
69.03457	0.5
70.06548	0.9
71.15381	0.4
71.25261	1.2
72.08150	0.6
73.02937	0.5
79.86977	0.5
83.53033	0.4
84.04490	0.8
84.08150	3.8
90.94854	0.6
97.02834	0.5
98.97601	0.6
109.10150	0.6
119.03533	0.6
132.08395	2.9
136.06180	100.0
137.04655	1.2
148.06152	1.5
148.66957	0.5
149.79839	0.6
150.07727	1.2
160.06219	3.0
164.05649	0.5
164.08226	0.6
175.07263	9.8
175.08752	0.6
177.08842	2.5
201.35895	0.4
225.44707	0.6
266.08789	0.8
307.11465	10.2
307.16843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13361	0.6
55.01875	0.8
55.05513	1.9
56.05020	0.6
56.96567	1.3
57.03438	1.0
59.92178	0.6
64.80302	0.6
67.05503	3.9
69.03421	1.0
69.07059	1.5
70.06604	0.7
71.05002	0.9
71.13918	1.6
76.02214	1.0
78.51274	0.6
79.05474	2.9
81.03390	1.1
81.07044	5.4
82.02943	1.3
82.16988	0.6
83.04945	0.9
84.04494	1.0
84.08150	0.7
85.02910	1.7
85.06544	1.1
86.09682	1.1
87.00835	1.7
91.05486	3.3
93.07032	3.0
94.06575	1.7
95.04961	2.8
95.08588	3.4
97.02889	0.8
97.06528	1.5
98.97589	1.3
98.98456	0.6
105.07014	3.7
107.04960	1.8
107.08585	2.8
109.06525	1.8
109.10156	2.3
111.04491	0.6
111.08031	1.2
115.05452	1.5
116.98644	1.3
117.07045	0.7
119.08550	2.4
121.06538	0.9
121.10129	2.4
123.08075	1.0
123.11659	0.5
127.03878	0.6
130.06520	98.7
131.06868	2.3
131.08548	1.8
132.03441	1.2
132.04445	23.9
132.08098	1.6
133.06450	0.6
133.10069	1.5
134.99609	1.3
135.08054	1.4
137.05943	0.7
137.09659	0.9
139.07506	0.8
143.08537	0.9
145.10181	1.0
146.06001	7.6
147.06332	1.6
147.08038	0.8
147.11670	1.0
149.09641	1.4
149.13300	0.9
157.07603	80.3
158.06003	100.0
159.06337	2.4
159.07938	0.7
159.09181	2.0
162.02144	0.7
165.09160	0.8
169.07605	0.8
169.10190	0.8
173.07097	4.2
173.09613	0.8
173.13277	0.7
175.08664	48.9
176.07028	1.3
176.08972	0.9
177.12569	0.7
179.10686	0.7
184.07547	0.6
191.56609	0.7
197.07080	2.4
199.08713	3.3
201.06554	5.5
203.08122	5.9
221.09218	4.2
225.06458	0.9
227.08090	1.7
233.15356	1.0
242.36243	0.6
243.07657	13.2
245.09183	4.0
247.07129	3.4
253.16008	0.7
261.08704	41.1
262.08914	0.8
271.07117	3.7
271.16949	0.7
289.08197	10.9
289.17935	1.3
292.75842	0.6
307.09238	5.4
307.12381	1.1
307.19016	2.5
327.74991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13361	0.6
55.01875	0.8
55.05513	1.9
56.05020	0.6
56.96567	1.3
57.03438	1.0
59.92178	0.6
64.80302	0.6
67.05503	3.9
69.03421	1.0
69.07059	1.5
70.06604	0.7
71.05002	0.9
71.13918	1.6
76.02214	1.0
78.51274	0.6
79.05474	2.9
81.03390	1.1
81.07044	5.4
82.02943	1.3
82.16988	0.6
83.04945	0.9
84.04494	1.0
84.08150	0.7
85.02910	1.7
85.06544	1.1
86.09682	1.1
87.00835	1.7
91.05486	3.3
93.07032	3.0
94.06575	1.7
95.04961	2.8
95.08588	3.4
97.02889	0.8
97.06528	1.5
98.97589	1.3
98.98456	0.6
105.07014	3.7
107.04960	1.8
107.08585	2.8
109.06525	1.8
109.10156	2.3
111.04491	0.6
111.08031	1.2
115.05452	1.5
116.98644	1.3
117.07045	0.7
119.08550	2.4
121.06538	0.9
121.10129	2.4
123.08075	1.0
123.11659	0.5
127.03878	0.6
130.06520	98.7
131.06868	2.3
131.08548	1.8
132.03441	1.2
132.04445	23.9
132.08098	1.6
133.06450	0.6
133.10069	1.5
134.99609	1.3
135.08054	1.4
137.05943	0.7
137.09659	0.9
139.07506	0.8
143.08537	0.9
145.10181	1.0
146.06001	7.6
147.06332	1.6
147.08038	0.8
147.11670	1.0
149.09641	1.4
149.13300	0.9
157.07603	80.3
158.06003	100.0
159.06337	2.4
159.07938	0.7
159.09181	2.0
162.02144	0.7
165.09160	0.8
169.07605	0.8
169.10190	0.8
173.07097	4.2
173.09613	0.8
173.13277	0.7
175.08664	48.9
176.07028	1.3
176.08972	0.9
177.12569	0.7
179.10686	0.7
184.07547	0.6
191.56609	0.7
197.07080	2.4
199.08713	3.3
201.06554	5.5
203.08122	5.9
221.09218	4.2
225.06458	0.9
227.08090	1.7
233.15356	1.0
242.36243	0.6
243.07657	13.2
245.09183	4.0
247.07129	3.4
253.16008	0.7
261.08704	41.1
262.08914	0.8
271.07117	3.7
271.16949	0.7
289.08197	10.9
289.17935	1.3
292.75842	0.6
307.09238	5.4
307.12381	1.1
307.19016	2.5
327.74991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85981	7.0
67.19767	6.8
69.44852	73.3
69.45193	12.9
70.06575	17.2
84.08149	10.9
86.11703	7.3
114.05524	9.8
119.01914	19.7
122.07133	16.7
133.03484	9.5
161.02919	9.0
164.08183	9.1
175.00200	54.1
178.45076	8.9
202.89091	33.8
203.62611	8.4
272.17529	8.4
307.04330	51.1
307.07892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78102	0.6
53.03917	0.6
53.42727	0.5
55.01897	0.7
55.05514	1.1
57.03429	1.3
67.05503	2.4
69.03431	2.1
69.07067	1.8
70.30981	0.6
71.43734	0.9
79.05491	3.0
81.03413	0.9
81.07055	4.0
82.02946	1.2
85.02911	2.7
87.00851	1.5
91.05482	1.9
92.75211	0.6
93.07039	3.0
94.06560	2.9
95.04962	2.5
95.08596	2.9
97.02882	0.6
97.06543	1.2
98.97622	1.2
101.06007	0.6
103.05440	0.7
104.03494	0.6
105.07033	1.8
107.04936	1.5
107.08593	2.4
109.06525	1.8
109.10126	2.9
111.08071	0.7
115.05470	0.9
117.06985	1.0
119.08572	1.9
121.06496	0.8
121.10149	1.5
123.08099	1.5
124.07604	0.6
125.09617	0.7
130.06523	100.0
131.06860	1.7
131.08508	1.3
132.04451	22.8
133.10107	1.8
137.09622	1.0
139.11217	0.7
145.10143	0.9
146.06012	7.3
147.06311	1.7
147.08035	0.9
147.09134	0.8
147.11487	0.7
151.11201	1.1
154.98575	0.6
157.07610	78.8
158.06009	95.8
159.06360	2.1
159.09116	1.3
159.11783	0.9
165.09096	0.9
167.10725	0.8
169.74648	0.6
173.07065	4.1
175.08672	47.4
176.07120	1.2
179.10625	0.6
185.07080	1.8
186.05589	1.0
197.07045	2.9
198.05490	1.0
199.08653	3.2
200.07129	0.8
201.06577	5.7
203.08124	5.9
217.09842	0.8
221.09169	3.1
225.06577	0.8
226.15614	0.6
227.08141	1.9
229.12617	0.6
243.07625	12.9
245.09177	3.8
247.07214	2.9
260.60019	0.8
261.08704	44.2
262.08948	1.3
264.07895	0.7
271.07214	3.9
271.16891	1.0
289.08176	12.1
289.11411	0.9
289.17960	0.9
307.05975	0.9
307.09286	5.2
307.12546	1.2
307.19019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01878	1.2
55.05511	7.2
55.05778	0.4
56.21358	0.2
57.03408	0.2
57.07070	1.1
62.28348	0.2
64.66052	0.2
65.03933	0.4
65.44106	0.2
67.05502	9.6
67.75119	0.2
69.07069	8.1
69.59917	1.5
72.04515	0.3
75.87583	0.2
79.05488	3.0
81.07055	8.0
82.06547	0.2
83.08615	2.6
84.08125	0.2
85.05288	2.8
86.06064	1.3
90.16149	0.2
91.05482	1.3
93.07041	2.4
95.04955	0.4
95.08611	5.5
96.08120	0.3
97.06532	0.5
97.10146	0.8
98.06053	15.6
99.06824	0.3
105.07025	1.0
107.08606	1.0
109.06532	0.4
109.10143	1.5
110.09674	0.4
112.07609	1.9
117.06996	0.2
119.08568	0.8
121.10135	0.6
122.09669	0.3
123.11655	0.4
124.11239	0.2
125.09604	0.2
126.09119	0.7
133.10153	0.4
135.11644	0.3
137.06018	1.2
137.06909	0.3
138.09122	0.6
140.10666	0.7
145.10208	0.2
147.11664	0.4
152.10762	0.3
154.12274	0.7
161.13310	0.2
163.11127	0.2
165.12738	0.4
168.13811	0.4
180.13838	0.3
182.15349	0.4
194.15436	0.3
196.16965	0.8
208.16989	0.9
210.18542	0.2
219.17482	0.2
222.18471	0.6
236.20088	0.4
250.21594	0.3
275.20050	0.8
277.77856	0.2
306.27899	100.0
307.28241	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24609	0.4
51.71439	0.5
55.45527	0.4
62.17621	0.4
62.75288	0.4
69.83199	0.4
70.82896	0.8
70.83241	0.7
89.40852	0.4
101.00871	0.6
108.63106	0.4
119.01925	6.8
132.84044	0.5
134.99863	0.7
137.02969	3.2
158.99963	0.5
165.99870	0.5
176.99364	0.8
177.00951	16.0
178.00986	0.7
179.00722	1.0
195.02039	0.6
201.00900	1.2
217.04002	2.4
219.02005	23.7
220.02071	1.1
221.01849	0.8
224.99033	0.4
225.00804	2.1
240.05716	1.0
242.03529	0.6
243.01942	5.1
258.06744	0.9
260.04718	0.7
261.03070	100.0
262.03119	2.8
275.02863	0.6
284.04828	4.1
302.03345	0.6
302.05865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26439	0.4
57.77030	0.4
62.44019	0.5
69.07056	1.3
70.57042	1.0
70.57417	1.1
81.07039	0.7
93.07040	0.7
94.04174	1.5
97.06532	0.5
110.08955	0.5
122.03651	5.1
135.11681	0.9
137.05977	100.0
138.06358	0.8
153.12764	1.0
170.15378	2.4
182.15425	3.2
182.16808	0.5
306.20667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1696
Annotation	Porritoxin
Peak:m/z	Relative Intensity
55.01872	1.8
55.05504	4.3
56.05024	2.6
56.96563	3.3
58.06597	1.9
67.05493	4.1
68.05008	1.6
69.03405	1.7
69.07061	5.9
70.06572	2.3
71.59910	1.9
76.41207	1.4
79.05489	7.8
81.07063	10.3
82.07384	2.1
83.08608	2.4
91.05476	9.9
93.07050	11.5
95.04965	3.8
95.08606	4.9
96.04478	6.6
96.08942	2.6
98.97562	1.3
100.44933	1.2
105.07025	13.9
107.08587	5.1
108.02094	1.7
108.08107	2.7
109.06509	3.2
109.10143	2.6
110.06045	1.7
114.05533	15.9
114.95970	1.5
115.05405	2.1
116.07072	2.1
116.98621	1.4
117.07026	6.5
119.08573	5.9
120.08079	3.8
121.06496	3.1
121.10121	4.1
123.04386	2.0
128.06203	1.5
129.07002	6.2
131.08559	7.6
135.08006	2.0
141.06961	2.7
142.07771	3.6
143.08571	8.7
145.06517	1.7
145.10120	13.0
147.11682	3.1
149.01236	2.0
149.05940	2.0
150.12721	2.0
151.03838	1.6
152.07031	3.1
153.05432	1.6
155.08522	1.9
157.10104	7.3
159.07965	2.1
159.11668	2.5
161.09634	2.0
169.10126	7.8
171.11690	8.2
173.09618	3.1
173.13239	4.4
174.12755	2.6
179.03375	12.3
180.03760	4.0
185.09560	2.9
187.11159	1.6
194.02089	3.3
195.81125	1.5
197.09645	2.7
199.11201	2.7
201.12819	1.6
203.10623	1.6
207.02930	7.6
208.03200	3.0
209.04388	7.7
210.04651	2.2
215.10657	7.4
217.12257	1.9
225.09230	2.1
233.44983	1.8
242.15359	3.7
243.10292	7.4
243.13609	2.0
260.12903	2.3
260.16449	13.7
261.11234	2.8
262.18042	3.2
264.12360	1.5
270.15195	1.5
288.16132	3.8
289.10654	2.4
289.18210	2.0
306.10745	14.6
306.16977	100.0
306.28220	3.3
307.11838	32.8
307.17258	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	305.2475
Annotation	Vitetrifolin G
Peak:m/z	Relative Intensity
50.79958	2.6
51.68681	2.7
52.91667	2.9
53.03911	4.5
54.46461	3.3
54.73013	2.4
55.01876	3.7
55.05516	27.5
56.68407	2.4
56.96551	7.7
57.07071	15.4
59.04993	7.0
67.05501	28.9
69.03426	5.1
69.07069	32.7
69.27602	15.9
69.28033	15.2
71.04996	14.9
71.08634	4.7
77.86942	2.9
79.05486	25.6
81.03443	5.7
81.07056	76.8
83.04966	7.1
83.08619	14.3
84.19551	3.0
85.02871	5.4
85.06529	7.1
91.05480	29.0
93.07041	58.1
93.19113	2.7
95.04966	10.1
95.08604	66.8
96.49542	2.6
97.06528	7.1
97.10143	5.1
98.97578	13.8
99.08101	23.4
105.07033	50.8
107.08595	63.8
109.02869	4.6
109.06510	8.8
109.10156	45.4
111.08068	6.5
111.11752	3.0
113.09618	6.4
116.98635	17.0
117.07012	10.6
119.08582	47.3
121.06533	5.3
121.10143	44.8
123.08050	10.7
123.11704	11.6
125.09601	5.4
127.07560	9.1
127.11180	9.3
129.07011	5.2
131.08568	28.8
133.10139	28.1
134.10443	3.5
134.99617	6.7
135.11688	20.1
137.09631	5.8
137.13222	7.5
143.08557	9.9
143.10666	6.2
145.10123	61.3
146.99599	2.9
147.07942	3.9
147.11696	29.2
149.01199	5.9
149.09612	7.9
149.13258	18.2
151.07584	3.0
157.10147	16.9
158.99632	4.6
159.11687	36.6
161.13272	17.4
163.11160	7.7
163.14848	20.2
165.12778	3.1
171.11661	8.3
172.12494	3.7
173.01170	3.9
173.13258	19.0
175.14803	12.1
177.00743	8.4
177.12772	4.6
177.16425	5.9
183.03189	2.8
185.13243	9.1
187.14746	7.5
189.12787	4.2
189.16345	10.3
191.02261	7.5
193.15865	4.8
199.14828	20.7
201.16373	100.0
202.16652	4.2
202.98633	5.6
203.17990	14.5
205.15851	4.7
207.17433	3.5
213.16338	22.1
215.17915	28.1
217.15840	9.8
219.17436	39.1
229.19702	3.8
231.17349	7.2
235.16937	17.6
241.19327	3.3
269.22589	27.2
287.16501	5.2
287.23679	61.2
305.17395	8.7
305.24765	81.4
306.25128	4.0
310.84036	2.8
326.28131	3.1
327.52713	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03931	5.4
53.82847	4.8
54.06573	5.0
55.05510	21.8
56.30480	4.3
57.07085	8.6
59.05001	37.7
64.97838	5.0
67.05497	34.1
69.07062	16.9
70.50948	20.5
73.58887	4.7
74.90476	4.5
79.05484	30.5
81.07062	38.3
83.04994	9.6
83.08597	6.0
85.06540	29.3
86.70176	4.7
91.05485	41.5
93.07053	31.4
93.08951	6.0
94.08320	4.7
95.04958	37.3
95.08620	25.2
95.09168	4.7
97.06497	7.7
99.08091	5.3
102.03659	4.5
105.07034	53.6
107.04943	14.5
107.08612	33.6
109.06504	26.3
109.10177	13.2
117.07004	17.7
119.06040	5.0
119.08588	35.5
121.06529	8.3
121.10127	44.0
123.08062	19.6
123.11724	5.5
125.09635	17.5
128.06215	8.8
130.07803	5.1
131.08551	22.7
133.06514	11.8
133.10139	16.7
135.08061	33.5
137.05974	10.3
142.07823	7.3
143.08536	13.6
145.06532	6.0
145.10114	24.1
147.08043	8.1
147.11700	12.9
149.09596	37.1
149.13263	8.8
150.10413	45.2
151.11189	36.1
151.20070	6.2
155.08557	8.0
156.09370	9.7
157.10109	21.6
159.11681	12.2
161.09612	7.3
165.09175	17.9
167.10672	25.3
169.10117	8.2
171.11716	21.5
173.09595	6.7
173.13191	13.7
177.12752	15.7
179.10612	4.8
181.10133	9.5
185.13200	5.5
195.11838	5.6
205.12286	23.5
215.14392	8.8
217.12338	8.0
221.15544	6.8
222.14035	7.0
229.15897	8.3
237.16341	13.8
255.17435	15.3
273.18466	13.3
287.20016	65.3
305.21188	100.0
305.24554	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	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.8
55.05516	35.5
56.58378	6.6
56.96560	20.4
57.03428	11.9
57.07074	9.7
59.04995	6.5
67.05508	61.5
69.03407	13.0
69.07072	39.3
70.15562	23.3
79.05505	33.5
81.03397	7.9
81.07040	57.7
83.04980	29.0
83.08621	15.6
85.06534	9.5
87.04462	8.0
88.07633	10.5
91.05477	45.1
93.07036	83.7
95.04950	37.7
95.08599	70.0
97.02921	8.9
97.06528	20.8
98.20844	8.3
98.97593	17.6
105.07027	70.7
107.08594	63.6
109.02864	8.0
109.06527	25.9
109.10154	45.1
111.08080	14.3
113.06019	6.4
116.98605	17.2
117.07021	23.6
119.08569	75.8
121.06490	15.8
121.10133	74.9
123.08097	17.2
123.11705	17.1
125.09615	19.8
129.06996	17.9
131.00220	7.4
131.08546	51.1
133.06467	11.8
133.10103	40.8
134.99643	15.0
135.08018	12.0
135.11665	14.0
137.09608	14.2
141.07108	7.6
142.07758	18.3
143.08527	31.6
144.09363	7.3
145.10135	63.8
147.08054	21.0
147.11708	31.0
149.01207	25.9
149.09616	27.1
151.07593	9.4
155.08578	12.7
156.03607	20.7
156.09344	9.9
157.10162	54.6
158.10905	7.2
159.07986	11.2
159.11688	59.6
161.09599	24.7
161.13219	14.0
162.03110	23.1
163.11186	9.7
165.09079	8.2
167.02220	9.6
167.08501	6.3
167.10728	15.4
169.07678	7.0
169.10103	20.2
170.10896	13.0
171.11678	30.8
173.01237	7.4
173.09592	9.0
173.13246	60.8
174.14020	6.8
175.11180	7.8
175.14943	8.8
177.00723	21.8
177.12788	11.8
179.03416	44.8
180.42294	5.9
181.10130	11.4
183.11682	15.0
185.09662	6.7
185.11852	6.5
185.13222	35.2
187.11198	19.2
187.14804	16.1
187.16460	7.6
189.12749	6.4
190.02621	10.2
191.02240	12.1
191.14313	10.9
195.11716	7.7
199.14801	17.7
201.12738	10.3
203.14301	9.5
207.02899	55.5
207.13713	7.0
208.03642	7.7
209.04439	18.4
211.14833	16.6
213.12718	11.5
213.16359	26.2
224.08047	97.1
224.58240	15.1
229.15999	10.4
231.13902	11.3
241.19394	19.1
243.25156	24.6
244.59232	8.9
247.08490	10.5
269.18964	26.0
273.18695	14.9
287.16721	12.4
287.20035	47.5
305.10278	87.2
305.17346	39.1
305.21097	100.0
305.24805	10.5
305.28601	50.3
310.12735	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03951	0.8
55.05498	0.3
56.96563	1.4
67.05493	1.2
69.07053	0.5
69.38384	0.5
69.38789	2.3
71.04990	0.3
77.03916	0.4
79.05476	1.0
81.03400	0.3
81.07063	2.3
83.04982	0.4
85.06508	0.4
91.05479	3.8
93.05778	0.5
93.07034	3.2
94.06561	1.1
95.04963	2.1
95.08588	0.9
96.08130	0.9
96.29559	0.3
97.06521	0.8
98.97571	5.5
99.08083	0.3
105.04509	0.4
105.07014	1.2
107.08601	0.7
108.08124	1.8
109.06533	0.4
109.10181	0.7
111.22646	0.3
112.99153	0.3
116.98618	4.0
118.63136	0.3
119.08575	0.4
121.10129	0.4
122.06034	3.5
124.07584	8.5
126.05507	1.5
129.06926	0.3
131.00159	1.0
131.08574	0.4
133.10146	0.5
134.99641	2.3
135.08080	0.3
135.11725	0.3
136.07568	100.0
137.07970	0.6
138.09145	0.4
139.59163	0.3
140.07057	1.6
142.96536	0.5
143.08562	0.3
145.10123	0.3
146.99628	0.4
147.08003	0.5
147.11678	0.4
149.01233	1.1
149.09627	0.3
150.05525	0.8
152.07057	18.6
153.00720	0.4
158.06001	0.5
158.99626	1.3
159.11629	0.6
160.97560	0.4
161.01199	0.3
161.09569	0.3
162.99094	0.4
163.07603	0.3
164.07057	76.4
165.07370	0.6
170.08134	4.2
173.01199	1.5
177.00720	2.6
182.08119	14.9
184.09727	0.4
191.02246	2.1
201.00633	0.3
202.98602	1.3
219.06500	0.3
220.99678	0.5
244.99747	0.5
245.04932	0.3
245.12907	0.8
276.68802	0.3
287.13864	4.7
287.16763	0.5
305.11298	0.5
305.14862	1.7
305.24612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30968	0.4
52.82277	0.4
53.03946	0.9
55.05515	0.5
56.96565	0.8
61.01144	0.4
64.69247	0.4
65.03936	0.6
67.05508	1.4
69.03416	0.5
69.07069	0.4
70.78308	0.8
79.05479	0.9
81.03413	0.7
81.07063	1.5
86.09707	1.0
91.05489	4.3
93.05766	0.5
93.07053	2.5
94.06590	0.8
95.04974	2.7
95.08571	0.4
96.08147	0.7
97.02906	0.5
98.97575	1.9
104.05332	0.5
105.04518	0.4
107.08592	0.4
108.08134	1.6
116.98635	2.1
119.08574	0.5
122.06051	3.3
124.07595	9.9
126.05524	1.3
132.10260	0.5
134.99651	0.7
136.07579	100.0
137.07935	1.0
140.07079	1.3
146.06415	0.5
150.05504	0.7
152.07065	17.9
161.01241	0.4
164.07071	73.7
165.07396	0.9
170.08130	3.7
177.00699	1.4
182.08130	15.8
191.02211	0.8
245.12651	0.4
245.79341	0.3
265.89590	0.4
287.13937	3.6
300.29562	0.4
305.05591	3.2
305.14905	1.0
310.05142	0.4
325.51666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1342
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
56.05034	7.3
57.03434	2.9
58.06593	3.8
60.04504	1.5
61.02917	1.6
68.05020	3.4
69.03391	1.1
69.81519	5.4
70.06593	22.2
72.08134	1.4
72.93789	0.8
74.06091	1.0
80.94373	0.9
82.06602	1.0
84.04493	1.1
84.08158	2.8
85.02896	3.7
86.06064	28.8
88.03991	5.6
96.08120	1.3
97.02883	1.7
98.97566	0.9
100.03948	1.3
100.07615	2.1
102.05556	3.0
103.03966	6.9
112.07591	3.6
114.05531	83.1
114.09168	3.2
115.05900	4.1
116.26015	0.8
119.01894	1.5
125.64760	0.8
128.07066	2.7
130.05028	5.6
132.06557	2.0
140.07056	5.3
142.05005	2.2
142.08635	26.4
146.08119	8.2
150.05614	0.9
158.04507	2.0
158.08156	10.8
160.09676	4.4
161.02950	1.8
168.06541	2.2
169.09679	4.4
175.04486	1.0
185.02899	1.1
185.09238	5.9
186.07631	100.0
186.09477	10.3
187.04547	1.1
187.07967	1.2
197.09201	5.4
200.27957	0.8
200.43266	0.8
204.08702	9.5
204.10480	1.5
215.10306	1.4
231.83997	0.8
241.11758	6.2
245.04875	1.1
266.18658	0.8
268.28799	0.9
287.12222	50.8
288.12604	0.9
305.08289	1.7
305.13318	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	305.1019
Annotation	6-Methoxy-alpha-pyrufuran
Peak:m/z	Relative Intensity
51.09361	0.6
56.96528	0.8
66.41986	0.6
67.05485	1.3
68.19686	0.6
69.07057	0.9
70.86163	1.9
78.04321	0.9
78.04712	10.5
79.05427	0.6
81.07029	0.7
83.04958	1.6
95.04953	7.2
97.06487	1.1
98.07302	1.5
98.97571	1.3
105.03365	1.0
106.04172	8.4
107.04936	0.9
108.02099	5.7
109.02831	0.6
110.03648	1.2
116.98585	0.9
121.02855	0.8
123.04411	3.8
124.84212	0.6
133.02867	3.5
134.03633	8.5
134.99657	0.9
135.04382	1.0
137.61110	0.6
138.36264	0.7
149.02335	1.7
151.03899	16.0
151.05095	0.8
161.02309	2.4
162.03120	53.9
163.03734	1.3
179.03394	51.7
180.03798	1.3
189.01733	0.8
190.02609	51.2
191.02858	0.9
192.04071	0.7
194.02107	1.1
207.02879	100.0
208.03645	29.9
209.04405	7.6
224.08047	0.7
305.10190	60.5
306.10580	2.1
313.26059	0.7
323.48727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82740	1.3
56.96564	100.0
57.03415	2.5
69.03411	2.3
69.98856	4.9
70.06574	4.0
70.98112	15.7
71.04980	2.7
71.22717	1.5
71.95236	3.9
72.05292	1.4
72.08124	3.5
72.96018	2.1
73.02908	1.8
73.04033	1.4
73.08470	1.6
74.97588	3.9
80.04999	1.8
81.03425	2.3
81.04499	2.1
84.04469	2.0
84.08127	2.4
84.96040	7.3
85.02869	5.0
88.99168	11.6
94.80971	1.7
97.02882	4.8
98.21456	2.2
98.97579	68.2
99.04408	1.5
101.00850	2.0
104.68369	1.5
106.02889	1.5
106.88878	1.5
107.00191	4.6
110.97554	4.7
112.05048	2.0
112.99123	3.2
113.03477	3.5
116.07101	1.9
116.97819	3.2
116.98621	57.7
119.01933	7.0
120.97958	1.8
123.05555	1.9
124.03951	2.0
124.95451	5.7
125.07085	2.5
128.98593	10.8
131.00172	9.3
131.01865	4.4
131.05542	2.3
133.01744	3.9
133.03474	3.7
134.99651	40.2
136.06160	8.9
137.02856	3.0
140.98596	2.8
141.06572	7.5
142.96503	12.4
143.00142	5.7
143.03386	3.4
143.08170	6.9
144.98053	3.1
145.01720	3.9
145.03427	3.8
146.99660	15.0
149.01195	6.3
149.02939	2.3
149.06569	4.4
153.00668	7.8
155.01813	2.4
156.98058	2.1
157.03447	2.2
158.99626	12.1
159.05019	2.4
160.02765	1.7
160.97577	14.1
161.01199	14.5
161.02959	3.0
161.06580	1.7
162.99144	3.1
165.00734	13.4
170.95963	3.3
172.97569	4.6
173.01157	3.0
173.02928	4.8
173.06609	2.9
174.99184	9.1
175.04501	2.3
177.00726	17.3
178.98709	2.2
179.02220	3.9
179.07628	1.5
183.01599	2.0
183.04146	2.5
183.49747	1.6
184.97551	5.1
185.01189	3.1
185.02873	3.4
186.99159	3.5
187.02667	1.4
188.97057	25.6
189.00761	9.0
189.02261	2.5
190.98643	19.3
191.02286	5.9
193.00192	15.4
195.01814	3.9
197.02992	1.7
201.00688	4.1
202.98637	18.4
203.02232	5.7
203.04027	5.7
203.07617	4.4
205.00182	11.7
206.98131	20.2
207.01695	10.6
208.99727	7.7
211.01224	3.4
212.97076	1.9
214.98616	5.8
215.07649	4.1
217.00182	4.1
219.01747	6.8
220.99724	17.4
221.05096	4.0
223.01237	6.6
224.99167	3.1
230.98088	22.9
231.01645	2.0
232.99670	13.5
235.01192	9.0
237.02812	7.7
239.00845	3.1
244.99707	5.4
245.05054	5.4
248.99139	12.9
251.00937	3.0
263.00763	24.5
273.04568	2.1
273.10864	1.9
275.09729	2.2
276.94400	1.7
281.01804	17.6
299.02863	2.3
305.05563	9.2
305.11868	52.8
311.90704	1.7
323.02890	2.4
323.06244	8.0
327.06711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2634
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03938	0.9
55.01854	1.0
55.05514	8.2
56.96544	1.4
57.02160	0.6
57.07051	2.4
58.06580	1.1
58.07411	0.7
59.43946	0.6
60.04518	0.7
61.45217	0.8
65.03926	0.7
67.05504	21.0
69.07073	5.0
70.06570	3.0
70.07699	3.7
71.08631	1.0
72.93826	0.7
77.49098	0.6
79.05491	8.5
81.07055	15.3
83.08578	2.3
85.05290	3.8
85.47078	0.7
86.06055	1.0
88.07650	3.8
89.07938	1.0
91.05463	3.9
93.07041	6.9
95.04972	0.8
95.08599	11.3
97.06494	0.9
98.06059	20.8
98.97558	0.7
105.07014	2.6
107.08566	3.0
109.06477	1.6
109.10169	3.7
112.07599	4.0
115.71793	0.8
119.08583	2.2
121.10104	1.9
123.07966	0.8
123.11710	1.0
126.09124	1.0
131.08536	0.8
133.10120	1.6
135.11646	1.0
140.10692	0.8
147.11600	0.9
149.13205	0.8
152.10742	0.8
154.12149	0.8
161.13312	1.1
163.11273	0.8
172.27357	0.7
176.01927	0.7
196.16966	1.0
209.24631	0.7
222.18460	1.3
234.11690	0.7
236.20195	1.0
256.26306	2.1
286.30060	0.8
288.32516	0.8
304.26285	100.0
304.31253	13.4
305.09885	1.0
305.21014	1.7
305.26642	2.5
321.81787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1503
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
56.04787	0.9
56.05035	13.2
56.96552	1.2
57.03429	1.3
58.06595	7.5
61.02926	2.9
68.05019	3.8
69.03428	1.3
70.06593	17.0
70.65589	1.2
70.65961	1.1
72.08142	1.5
73.02921	1.0
74.02458	1.1
74.06072	1.3
82.06566	1.4
84.04516	1.1
84.08126	2.5
85.02894	4.0
85.07657	4.4
86.06069	19.1
86.09686	2.5
88.03983	1.7
96.08111	1.1
97.02879	1.5
97.07597	0.6
98.09662	1.6
98.97577	2.0
100.03971	4.9
101.07150	0.7
102.05537	8.0
102.87416	0.6
103.03935	1.3
111.09207	1.4
111.34252	0.5
112.07596	1.5
113.07120	1.5
114.05530	62.4
115.67126	0.6
116.07076	1.0
116.98577	0.9
119.01884	1.6
124.07608	6.7
127.03928	0.9
127.05059	0.6
127.08647	0.8
128.02275	0.7
128.07039	3.0
129.06641	5.4
130.05017	2.9
130.48999	0.6
131.01941	0.6
132.06566	0.8
139.08667	2.3
140.07088	1.2
141.06505	0.7
141.10213	10.5
142.08646	10.9
145.09726	2.2
146.08080	0.7
151.08650	1.6
157.09714	5.2
158.08130	2.2
159.11295	0.9
160.09714	1.0
168.06589	1.3
168.11250	2.8
169.09732	1.8
175.11894	0.6
184.03867	0.5
185.09218	100.0
186.07617	18.7
186.09309	1.3
187.14357	0.7
188.96985	0.5
189.00723	0.7
196.10854	4.2
197.09193	0.9
200.04384	0.7
203.10254	3.8
204.08717	1.8
205.54671	0.6
213.53531	1.7
214.05179	0.6
214.11839	2.7
215.10278	2.5
218.66768	0.6
240.13387	5.6
241.11841	1.0
258.14493	2.1
268.12961	2.2
286.13980	46.3
287.12225	6.3
304.11304	1.2
304.14981	7.7
305.13361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
54.21738	3.6
55.05512	14.6
57.07063	4.6
67.05505	24.4
69.07053	14.5
69.40099	4.3
69.67557	23.7
69.67967	8.1
74.66692	3.5
79.05489	7.9
81.07061	19.5
83.08630	7.1
91.05468	12.0
91.59901	3.9
93.07031	26.4
94.32946	3.8
95.04964	4.8
95.08606	100.0
97.06510	4.2
97.10145	5.1
105.07014	23.2
107.08591	31.6
109.10153	21.2
119.08591	26.0
121.10152	29.8
123.11730	10.3
131.08585	5.4
133.10100	24.6
133.26428	4.4
135.11700	15.4
145.10130	13.4
147.11696	17.5
149.13240	9.9
159.11697	12.7
161.13263	18.3
163.14838	9.3
173.13289	15.5
175.14900	5.9
187.14821	13.5
194.82396	4.1
201.16373	12.3
203.17886	19.7
207.13843	7.4
233.15396	8.0
243.21001	6.4
257.22632	24.1
285.22150	9.5
303.23163	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93502	1.7
55.05493	2.2
56.96292	2.6
56.96564	48.8
57.61588	1.8
59.07606	1.7
67.05495	5.0
68.22885	2.0
71.60150	1.8
71.60561	2.7
71.95266	3.9
74.97593	2.6
76.12378	2.2
77.70724	1.9
79.05473	2.1
81.07073	2.2
93.07019	2.4
95.08597	6.4
96.08933	3.5
97.06536	2.6
98.97589	3.5
105.06994	3.3
107.08569	1.9
109.10141	2.5
116.98655	3.2
119.08563	3.8
123.08008	2.3
128.98625	2.3
134.99597	2.6
139.00687	2.8
141.02242	3.5
146.99677	3.6
151.07570	2.8
153.02257	2.8
155.02507	1.9
155.03790	5.1
157.01762	4.5
169.01720	4.7
171.03291	11.9
173.04857	4.3
175.02809	2.6
179.03317	2.4
181.05154	2.0
183.03267	2.8
185.04865	9.5
187.02812	2.3
189.04430	10.1
193.03694	1.9
197.04869	3.9
199.06357	6.0
203.05919	11.1
205.07460	2.3
215.05797	3.7
217.07416	5.5
221.08516	3.6
225.07916	4.6
242.21170	6.5
242.24699	2.5
251.09645	6.3
253.11011	2.8
255.94563	1.8
263.09512	19.8
269.10498	3.6
281.10590	100.0
282.10849	2.5
299.08249	4.4
299.11670	86.8
300.11847	2.8
304.12222	16.4
304.19614	4.3
304.28558	3.3
305.10025	3.0
322.13245	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05495	2.1
56.96563	3.5
57.03418	5.7
58.94728	1.7
60.04526	9.5
61.02918	2.4
67.05499	3.1
69.03432	18.4
69.06726	3.2
69.07069	44.9
70.06563	5.2
71.08635	20.8
71.27288	4.6
72.08166	2.4
73.02915	3.7
74.06042	2.2
81.03419	10.5
83.08607	3.2
84.04469	4.5
84.08141	4.7
85.02903	88.9
86.02419	8.0
86.09704	3.2
91.05492	2.7
94.06551	4.2
96.08116	3.7
97.02895	47.9
97.06510	6.3
98.97554	3.4
99.04438	4.4
103.03935	6.9
109.02849	12.0
114.09177	16.8
116.98614	1.9
127.03923	19.3
130.06520	1.8
133.02747	2.6
134.99614	2.6
138.09109	5.1
142.08633	95.4
145.04941	6.3
177.00798	2.6
184.09688	100.0
204.10042	3.1
208.09663	17.0
220.09709	2.7
223.07497	5.3
237.02803	3.3
238.10735	4.2
250.10733	11.2
277.16626	4.5
304.13495	2.8
304.16699	2.4
305.15726	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	303.1803
Annotation	oscr#3
Peak:m/z	Relative Intensity
51.85348	1.3
55.01860	2.6
55.05497	6.3
56.90371	1.4
56.96560	2.1
57.07074	1.4
65.03931	5.3
67.05515	6.6
69.03426	2.2
69.07060	8.3
69.85644	1.4
71.04984	3.0
71.51712	2.1
79.05497	8.3
80.17196	1.3
81.07058	18.3
83.04978	7.8
83.08627	3.3
85.02877	1.7
85.06535	2.6
91.05470	8.1
92.04994	3.5
93.07053	23.5
95.04977	8.6
95.08601	18.6
97.06531	12.4
99.04450	4.6
99.54942	1.3
105.07037	16.9
107.04954	2.5
107.08608	10.0
109.06505	6.4
109.10136	4.8
111.04436	2.3
111.08080	6.4
113.05980	1.4
116.98653	2.7
119.08591	10.2
120.08086	1.7
120.51215	1.4
121.06486	12.4
121.10125	4.5
123.04424	1.5
123.08077	5.0
123.11695	4.1
125.06016	8.2
125.09583	2.5
127.07533	2.0
131.08572	2.6
133.10150	9.7
135.04414	1.6
135.08049	5.0
138.05508	28.2
138.09134	11.3
139.07547	12.6
142.07704	1.5
143.07028	5.0
143.08575	1.7
145.10127	5.9
147.08023	1.6
147.11682	21.4
149.13234	2.6
150.09178	1.7
151.11171	1.9
153.09116	2.0
157.08759	6.9
157.09950	6.6
159.06503	3.0
159.11662	2.4
159.33191	1.4
161.13231	5.1
163.14774	1.7
165.12752	5.4
166.05006	38.3
167.05290	1.9
169.12219	2.3
171.11670	5.2
173.09583	2.4
173.13220	2.0
175.11169	14.1
177.12772	1.6
189.12761	8.8
193.12199	14.3
198.09178	1.7
199.11197	3.7
206.25302	1.3
207.13791	5.5
211.13503	2.9
212.10583	4.3
214.12361	2.9
214.47914	1.3
217.12215	19.8
225.14902	5.9
230.11694	2.6
232.13329	1.9
235.13278	17.9
239.11792	1.4
240.10222	1.8
242.11757	3.6
243.11467	1.8
243.15887	3.4
249.14882	5.7
253.14337	10.2
257.09042	1.6
257.12863	12.2
260.12790	4.9
267.15897	5.5
272.11572	14.5
274.09506	11.0
275.10162	1.8
275.13846	7.5
285.12360	17.8
285.22235	1.3
303.05032	2.7
303.13388	100.0
303.23047	3.5
304.13678	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	303.2316
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
54.44245	2.7
55.05510	10.9
57.07074	5.8
61.10836	2.2
67.05516	20.1
69.07072	11.5
69.55697	11.1
69.56113	4.8
71.45654	2.2
79.05470	7.3
81.07066	15.7
83.08604	6.2
91.05486	9.5
93.07037	21.9
95.08604	100.0
97.10184	5.8
98.37409	2.4
105.07024	15.3
107.08591	34.5
109.10152	27.3
111.19965	2.5
113.71693	2.5
119.08577	28.6
121.10132	37.2
123.11691	10.8
131.08569	5.5
133.10130	21.4
135.11684	18.4
137.13367	3.6
139.07518	2.5
145.10068	11.5
147.11635	16.9
149.13275	14.4
158.10931	2.5
159.11693	9.4
161.13231	17.7
163.14787	12.5
172.12323	2.2
173.13232	13.9
175.14854	7.2
187.14745	14.0
189.16466	5.1
199.14812	2.8
201.16406	10.2
203.18011	16.8
207.13770	6.4
215.17967	3.7
219.13817	4.0
233.15344	10.8
243.21117	8.8
247.16940	5.7
257.22629	25.8
261.18466	2.7
267.21094	4.0
285.22144	10.6
303.23212	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	19.5
61.02927	30.3
69.03424	33.0
69.92860	65.3
71.05003	32.7
73.02953	15.5
77.33534	14.1
84.08173	15.4
85.02907	56.3
97.02887	45.9
98.06042	25.0
98.97594	43.0
116.98641	31.2
119.01877	34.4
122.07156	14.6
127.03886	14.6
128.02325	19.8
141.08456	18.3
192.02890	18.7
200.04535	16.9
213.03339	32.0
222.03996	15.1
235.10751	17.9
242.99986	20.0
248.17590	15.6
263.01059	19.1
303.08481	100.0
303.15732	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	16.5
61.10826	7.2
67.33870	8.3
69.56589	8.9
71.51192	9.7
82.80296	9.5
85.02935	8.0
86.09685	8.5
98.97581	100.0
106.41646	10.5
110.07153	33.0
116.98598	61.9
123.81675	7.7
134.99643	34.4
158.99611	39.3
177.00717	99.8
178.10739	8.6
202.30994	9.0
219.01819	14.6
237.02859	11.3
303.07843	29.9
303.11023	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	52.1
64.25921	8.8
69.03419	18.5
70.36252	20.2
70.36652	14.2
84.08118	11.4
84.96008	14.0
85.02892	27.1
85.06558	12.8
86.09692	11.5
97.02873	17.5
98.97585	42.1
110.97571	12.9
116.98603	38.4
119.01980	8.3
123.04430	18.0
127.03938	11.0
128.98615	28.2
134.99657	26.5
146.99655	32.7
149.02820	8.3
159.03348	20.7
161.01205	9.7
161.04732	10.8
175.02888	8.6
176.98218	8.4
177.00819	18.2
177.04364	27.3
189.00618	12.0
199.61928	9.0
201.04329	21.1
219.01801	26.8
219.05133	15.0
237.02763	80.8
255.04037	9.5
303.07736	100.0
321.08398	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	303.1071
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.03943	6.2
55.05507	39.2
56.15495	3.1
56.96548	5.7
59.86687	2.8
69.03426	52.2
70.06566	4.4
70.76070	9.6
71.04974	4.5
73.06556	100.0
81.03421	25.9
84.04485	3.9
84.08093	3.5
85.02894	21.0
86.09703	6.1
87.95048	3.2
95.08584	4.1
97.02888	11.6
98.97595	5.3
99.04460	14.8
101.06018	75.3
109.02868	10.6
110.07155	4.1
116.98621	4.6
121.06438	3.2
127.03902	12.4
134.99614	7.8
141.05228	9.7
143.03412	18.1
145.04929	5.4
145.69853	2.9
151.69653	3.1
156.13950	2.8
161.11552	2.8
168.79254	3.1
177.00674	3.1
181.08542	4.8
185.04218	3.9
190.18974	2.8
199.09641	4.5
213.03923	11.8
231.05025	5.7
285.09549	10.5
303.10602	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	303.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.96552	1.2
67.05489	1.0
69.03437	0.9
69.07069	1.2
71.60015	1.4
72.08171	1.2
79.05486	1.1
85.02893	0.9
86.09698	1.5
94.06568	1.5
95.04881	1.0
97.81597	0.6
98.97572	0.8
110.06048	0.9
116.98603	1.0
119.01923	1.0
122.06019	1.6
134.05954	0.8
136.07587	2.0
137.06039	1.0
146.08405	0.9
148.07564	1.4
150.05505	1.0
162.05534	1.5
173.07140	1.7
181.08925	1.5
182.08385	0.8
182.09750	1.4
183.09102	1.3
184.11324	1.7
194.09666	2.0
195.05591	1.0
195.09180	3.4
196.09938	10.7
197.10629	3.4
198.07910	1.3
198.11440	0.7
199.08618	1.2
203.03580	1.0
206.08389	20.8
209.07123	2.0
209.10710	2.3
210.08009	1.2
210.11528	2.0
211.08763	1.8
211.12292	8.6
212.09334	1.2
213.10066	2.5
220.09969	3.8
221.10739	7.6
223.08655	6.6
224.09413	9.3
225.10281	1.2
226.10965	1.6
227.08192	3.5
227.11787	1.0
229.04977	0.9
229.13458	1.1
237.10181	4.1
237.94778	0.7
238.11037	7.3
239.08087	2.0
239.11803	20.5
241.09784	3.8
242.60579	0.7
243.11086	0.9
252.08931	1.5
254.10562	1.4
257.12823	6.4
267.11276	42.6
268.11786	1.6
272.11511	3.5
275.13974	1.9
279.53717	0.8
285.12329	50.6
303.14017	100.0
304.14438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01879	19.2
56.96562	32.1
57.03437	37.7
61.02928	50.4
62.36420	4.3
66.71812	3.3
69.03426	57.5
70.03775	4.5
70.06590	22.3
71.04978	11.9
71.59158	5.3
71.59523	6.8
72.08147	13.8
73.02911	35.2
81.03408	14.6
84.04498	12.3
84.08149	27.3
84.96033	6.2
85.02904	100.0
86.06076	6.8
86.09705	5.7
87.04459	7.3
97.02895	51.1
98.01317	7.4
98.06052	4.6
98.97586	79.9
99.04444	11.5
101.00790	4.6
104.01274	5.8
109.02879	11.3
110.01294	14.7
110.07150	4.7
110.97565	17.2
112.08743	5.4
113.01750	4.8
113.02433	5.3
114.05517	10.0
115.03927	6.4
116.07069	8.6
116.98627	48.0
118.01042	4.0
119.01826	38.2
124.95769	13.0
127.01528	4.3
127.03898	37.1
128.02309	46.5
128.98659	18.1
129.10229	17.4
131.00125	6.2
131.01819	9.2
133.03407	8.1
134.99646	17.1
136.11276	3.3
137.02798	26.0
140.02301	6.9
140.08144	5.5
140.98579	4.2
142.96532	7.1
143.01773	4.3
145.04953	6.2
146.02332	12.1
146.99648	25.7
147.03133	4.6
149.01193	14.8
149.02867	5.5
150.01845	4.7
152.02332	9.4
155.02826	14.7
156.03586	13.0
158.99664	19.6
160.02058	4.2
161.01227	9.0
161.02808	9.9
162.01817	9.3
164.03291	4.9
165.00748	10.7
167.02348	5.9
168.01761	4.5
169.02596	10.7
170.01440	3.7
170.03331	9.7
170.96269	8.8
170.99620	15.1
171.02342	7.3
173.01361	4.2
173.02910	10.2
174.00137	4.7
174.01794	12.0
174.99225	5.1
177.00713	24.7
177.02225	8.8
178.03130	6.3
179.15671	4.2
182.03291	19.4
182.96344	12.7
182.99666	5.2
183.02336	24.6
184.97540	10.0
185.09187	14.1
188.97079	8.1
189.00682	36.4
190.03120	5.9
190.98651	4.5
191.02292	6.8
191.03897	38.0
191.54027	4.2
192.02846	27.3
193.00177	11.2
194.96230	9.3
198.02863	4.7
200.04413	71.9
200.54520	8.9
200.98320	15.1
201.00752	13.1
202.98613	14.0
204.02847	25.2
204.52946	4.7
205.00182	9.5
205.26302	3.9
206.78294	3.8
206.98134	9.7
207.01787	12.6
209.04961	10.2
212.97337	6.4
213.03412	73.4
213.05284	10.0
213.53552	10.5
217.00053	7.5
218.99680	6.1
219.01767	20.9
220.99666	8.6
222.03885	22.0
222.05811	16.3
223.01282	5.0
229.05353	3.9
230.98163	13.6
231.35878	5.0
232.99637	5.6
237.02823	17.9
238.49908	4.5
242.98195	4.6
246.15154	4.5
247.01460	8.7
248.98994	5.4
263.00717	10.8
264.04752	5.6
275.00806	5.9
281.01746	6.3
293.05487	5.2
303.10507	4.5
303.13425	10.0
305.01849	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Isoetin
Peak:m/z	Relative Intensity
54.61510	0.6
55.01863	1.4
55.05506	0.7
56.24858	0.7
65.03933	0.8
67.01848	0.8
67.05478	1.3
68.99794	3.7
69.07069	2.0
70.21494	0.6
79.05500	4.4
81.03436	1.5
81.07037	3.1
81.32648	0.7
86.09702	0.9
86.79376	0.7
89.03893	0.8
91.05467	2.7
93.07042	4.0
95.04962	1.8
95.08601	3.9
97.06509	1.6
105.03376	0.9
105.07050	3.4
107.04963	3.8
107.08588	2.7
109.02821	1.1
109.06503	0.8
109.10184	1.1
115.05483	1.3
116.47649	0.7
117.07029	1.4
119.08578	1.9
120.08096	0.8
121.02874	1.8
121.06484	2.0
121.10171	1.7
123.00803	4.7
127.03934	1.0
127.11189	0.7
129.07001	1.1
131.04903	1.0
131.08598	0.8
133.02858	1.8
133.10130	3.2
135.04414	2.7
135.08031	1.2
135.28391	0.7
137.02335	6.4
137.05956	1.3
139.07544	1.2
145.06480	2.5
145.10121	1.2
147.11697	2.6
151.03891	1.6
153.01831	32.4
155.04910	2.4
156.08043	0.7
157.06532	1.1
157.08604	0.8
159.04395	0.9
159.11699	1.5
161.02478	1.0
161.06007	1.4
165.01802	0.9
165.06989	1.0
165.12724	1.2
169.01279	3.4
173.05991	3.7
175.11198	2.4
177.05508	1.1
179.03365	1.0
183.04385	1.6
185.06169	0.8
187.03868	1.7
189.12740	1.3
191.03494	0.8
193.12233	1.4
199.04030	0.9
201.05470	8.7
203.03384	6.2
203.07004	0.9
205.04980	1.5
211.03905	0.8
211.07523	0.9
213.05522	1.4
217.04916	1.2
217.12256	2.6
229.04955	41.5
230.05243	1.4
231.06540	4.5
235.13200	1.6
245.04468	11.1
247.06029	2.0
253.14531	0.9
257.04459	41.6
258.04901	1.1
259.06021	35.0
261.03952	2.5
275.05511	32.1
276.05756	0.7
285.03940	26.0
302.42560	0.7
303.04990	100.0
303.12628	2.6
303.23120	2.6
304.05362	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	303.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.96289	2.5
56.96564	49.7
65.16885	1.4
69.03418	2.5
70.06593	3.0
70.11359	7.1
70.73722	1.4
72.08167	2.1
73.06557	2.0
74.97635	2.6
81.03408	1.7
85.02914	1.8
86.09692	4.1
94.39738	1.5
97.02854	2.3
98.97572	6.4
101.06061	2.3
102.00215	1.4
103.28287	1.6
104.19479	1.5
116.98615	10.3
118.06568	2.0
119.01258	1.5
130.06508	2.4
132.08087	5.4
134.99661	11.8
140.03415	1.5
146.05934	2.4
153.00716	2.6
157.07478	1.7
159.09036	1.9
171.09166	2.0
173.17261	1.5
174.02275	9.3
177.00734	1.6
183.09096	1.7
188.03851	3.0
192.03316	56.6
204.03357	3.1
206.04909	15.4
210.04376	17.9
215.04903	15.9
217.06502	13.1
220.02858	3.6
222.04306	5.6
224.06007	7.2
233.05975	19.0
235.07527	15.4
238.03871	2.5
240.05444	2.2
243.04408	7.2
247.03894	3.2
257.13950	1.9
258.04492	2.2
261.05457	100.0
262.05820	5.0
269.54114	1.5
276.05469	2.6
279.06516	91.3
284.06848	7.2
302.08267	1.9
303.11130	2.2
303.14325	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01865	0.3
65.03934	0.8
67.01862	0.5
67.05499	0.3
68.99792	2.7
69.03416	0.4
69.45950	0.2
69.46298	1.3
78.41841	0.1
81.03440	0.8
93.03403	0.7
93.07047	0.2
95.04976	0.8
105.03389	0.3
105.06988	0.3
107.04942	0.3
109.02887	1.3
110.03678	0.2
111.00806	2.0
111.04454	0.2
115.05456	0.2
117.07003	0.4
119.04893	0.2
120.08129	0.3
121.02078	0.3
121.02876	2.2
123.04420	0.7
127.03945	0.7
131.04927	0.6
133.06477	0.2
135.04401	0.5
137.02344	8.4
137.03349	0.4
137.05971	0.2
140.34886	0.1
145.02826	0.2
145.06471	0.8
149.02365	1.1
151.03886	0.3
153.01833	10.8
154.02158	0.2
155.04904	1.2
157.06473	0.3
159.04422	0.4
161.05978	0.7
163.03925	1.4
165.01840	3.9
165.03249	0.2
166.02612	0.4
173.05980	1.6
177.01830	0.2
177.05522	0.2
179.03421	0.5
183.02885	1.7
183.04446	1.1
187.03909	1.1
191.03387	0.5
191.06940	0.2
195.02924	0.5
201.05476	5.1
202.05798	0.2
205.01350	0.2
205.04926	0.4
207.02844	0.3
211.03917	0.4
213.05434	0.4
215.03387	0.2
219.02814	0.2
219.06538	0.5
228.04184	0.8
229.04959	10.1
230.05299	0.5
239.03383	0.6
245.04413	0.2
246.05267	0.2
247.06058	1.3
257.04456	5.1
258.04922	0.2
274.04724	1.5
275.05515	0.5
285.03970	2.2
303.04990	100.0
304.05341	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01861	0.7
55.05500	0.7
56.96545	0.4
56.98938	0.2
57.03440	0.3
57.11998	0.2
60.44170	0.3
61.23026	0.3
65.03925	0.6
67.01874	0.4
67.05489	1.5
68.99790	2.4
69.03426	0.8
69.07062	0.7
71.04987	0.8
71.60292	0.3
79.05495	1.3
81.03413	1.1
81.07063	2.6
83.08611	0.3
85.02898	0.3
91.05478	1.9
93.03408	0.7
93.07039	2.2
95.04999	1.3
95.08621	1.7
97.06529	0.4
98.97551	0.3
99.08075	0.4
105.07036	2.5
107.04978	0.5
107.08583	1.6
109.02885	1.4
109.06494	0.6
109.10161	0.9
111.00772	1.9
111.04414	0.3
115.05485	0.3
117.07011	0.9
119.08580	1.3
121.02865	2.2
121.10146	1.3
123.04456	0.9
123.08100	0.6
123.11711	0.7
125.09617	0.4
127.03880	0.7
127.11163	0.3
128.06308	0.3
129.06964	0.4
131.04924	0.5
131.08562	0.8
133.06540	0.3
133.10127	1.5
134.99649	0.4
135.04393	0.8
135.08055	0.4
135.11737	0.5
137.02338	7.1
137.03351	0.3
137.05939	0.3
137.09569	0.4
143.08525	0.8
145.06483	1.0
145.10109	1.4
147.11685	1.1
149.02336	0.7
149.09598	0.5
151.07414	0.4
151.11264	0.3
153.01826	10.3
155.04918	1.2
157.10133	1.0
159.11700	0.8
161.06003	1.0
161.09650	0.4
161.13242	0.7
163.03888	1.3
163.11171	0.5
165.01843	3.9
165.07066	0.5
166.02689	0.3
166.04970	0.3
167.03517	0.3
169.10077	0.5
171.11673	0.7
171.73747	0.3
173.05972	1.2
173.13297	0.6
179.03433	0.5
183.02884	1.2
183.04443	1.0
183.08139	0.5
187.03841	0.8
187.14835	0.3
189.12766	0.3
191.03551	0.4
195.02945	0.3
198.09120	0.4
199.14844	1.7
201.05453	3.9
205.04826	0.6
211.03859	0.5
211.07542	0.4
213.05508	0.3
213.16452	0.4
217.15877	1.1
219.06522	0.6
228.04184	0.5
229.04947	9.1
230.05270	0.4
239.03433	0.4
243.11287	1.0
247.06012	1.1
257.04471	5.2
267.20950	0.4
274.04614	1.0
275.05447	0.4
285.03964	2.3
285.09167	0.5
285.12289	2.0
285.22070	1.6
303.04984	100.0
303.23035	2.8
304.05252	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
57.07074	7.5
58.06590	0.5
69.49546	2.6
70.06592	12.0
71.08623	2.6
81.34934	0.3
85.10169	1.0
88.07626	15.1
98.21483	0.5
102.09172	4.0
105.17090	0.3
106.08662	9.0
125.35420	0.3
133.85803	0.3
167.67981	0.3
168.81816	0.3
200.20940	0.4
209.31502	0.4
258.27844	0.9
284.29453	6.4
302.30515	100.0
303.30838	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.0
70.04778	0.7
70.76822	1.5
98.97571	1.7
101.00841	1.0
111.86665	0.7
116.98609	2.5
118.01928	0.7
119.01917	7.3
120.02007	1.0
134.99666	1.7
137.02946	2.7
153.00861	1.1
177.00943	14.8
178.00993	4.0
179.00710	2.0
217.04030	1.7
218.03802	2.1
219.02007	27.0
220.02095	5.9
221.01778	7.6
225.00993	2.6
230.00459	0.8
236.99608	0.9
243.02013	4.4
244.02148	1.8
261.03049	100.0
262.03180	28.5
263.02960	4.6
277.01056	1.1
278.01193	0.7
278.97781	0.7
279.00699	2.9
282.99908	0.9
284.04688	2.5
284.99799	1.1
285.04276	1.1
301.00949	2.2
303.00845	3.2
303.05679	7.6
320.98370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02422	0.1
53.03957	0.2
55.01876	0.2
56.96552	0.1
61.61489	0.1
61.77058	0.1
64.94840	0.1
65.03937	0.5
67.01862	0.5
67.05520	0.5
68.99438	0.2
68.99794	2.5
69.03430	0.3
69.34328	1.1
81.03422	0.9
81.07051	0.3
91.05480	0.3
93.03411	0.6
95.04973	0.9
95.08586	0.1
97.02903	0.2
98.20708	0.2
98.97550	0.2
100.16135	0.1
105.03380	0.2
107.04972	0.2
109.02869	1.3
110.03699	0.2
110.66392	0.1
111.00795	1.7
115.05443	0.3
116.06209	0.1
117.07016	0.3
119.04980	0.2
119.08582	0.1
121.02863	1.8
122.06064	0.1
123.04426	2.0
127.03899	0.5
128.06157	0.1
129.06984	0.2
131.04929	0.6
133.02843	1.2
133.06502	0.1
135.04405	0.3
137.02345	6.7
137.03387	0.3
137.05945	0.1
138.02727	0.1
145.02843	0.2
145.06512	0.7
147.04373	0.1
149.02309	0.8
151.03908	2.3
153.01830	21.6
154.02165	0.4
155.04890	0.9
155.05972	0.1
157.06506	0.2
159.04407	0.3
161.05988	0.7
162.24210	0.1
163.03925	1.1
165.01851	3.5
165.03256	0.2
166.02611	0.4
167.03384	0.1
171.02922	0.3
173.05983	1.3
177.01833	0.3
177.05486	0.3
179.03377	0.3
183.02885	1.2
183.04446	0.8
187.03917	0.9
191.03459	0.2
191.07176	0.2
195.02892	0.4
201.05473	3.9
205.05006	0.4
207.02919	0.1
211.03947	0.4
213.05550	0.2
215.03181	0.1
217.05048	0.2
219.02953	0.2
219.06541	0.5
228.04227	0.7
229.04958	7.8
230.05305	0.1
232.03731	0.2
233.04510	0.2
239.03447	0.5
243.11118	0.1
245.04561	0.2
246.05226	0.2
247.06035	1.1
257.04453	4.5
258.04651	0.2
267.03015	0.1
274.04718	1.4
275.05237	0.5
282.01334	0.1
285.03940	1.8
285.12122	0.2
286.04648	0.2
303.04993	100.0
304.05322	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.8
55.05514	0.8
55.93507	0.6
56.87493	0.4
56.96578	1.1
60.06092	0.5
61.57876	0.4
67.05511	1.3
69.03436	0.8
69.07085	0.9
69.23344	0.4
70.06594	1.7
71.04992	0.5
71.59328	0.8
72.08161	0.6
73.32026	0.5
75.05593	0.6
79.05488	1.1
79.37157	0.4
81.07046	1.2
84.04506	1.6
84.08141	1.2
85.02911	1.2
86.09707	100.0
87.10036	1.0
88.02363	0.4
91.05474	1.7
93.07030	1.4
95.04961	0.8
95.08593	1.2
97.02901	1.0
98.97552	0.8
105.07030	1.1
107.08630	0.5
107.62728	0.5
109.02880	0.5
119.04906	0.7
119.08621	0.6
121.02871	0.8
123.08105	0.8
125.99213	0.5
127.03875	0.7
129.10300	0.6
131.08588	0.6
132.10207	11.4
134.99675	1.0
135.04442	0.5
137.02310	0.9
137.05910	0.6
138.84760	0.5
143.11798	69.7
144.08139	0.5
144.12128	0.7
147.04425	1.1
153.01830	2.0
156.13821	1.1
167.07050	1.7
168.07393	2.3
168.88770	0.6
171.11298	18.4
174.14922	1.2
177.00626	0.5
199.18077	0.7
201.05342	0.8
219.01669	0.6
228.14793	0.6
229.04930	1.9
237.02870	1.0
245.18474	1.2
257.04431	0.7
259.05670	0.6
271.09622	0.5
274.04578	0.5
286.16391	0.8
287.05127	0.8
302.04080	0.6
302.07281	1.0
302.11118	1.0
303.01529	0.9
303.05008	16.8
303.19229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05502	1.3
56.96555	2.5
57.03432	0.5
58.06589	0.6
67.05508	1.3
69.03430	0.9
69.06717	0.8
69.07072	11.4
69.29068	0.4
69.87641	2.2
70.06597	3.1
72.08142	2.1
75.05599	1.6
79.05477	1.0
81.07054	2.0
84.04490	0.8
84.08150	1.0
85.02910	1.7
86.09706	100.0
87.10044	0.8
91.05473	1.2
93.07038	1.0
95.04974	0.8
95.08600	1.0
97.02906	0.8
98.97595	0.7
99.08093	0.5
105.07021	0.6
107.04935	0.6
107.08562	0.5
109.10137	0.6
112.65653	0.5
116.07104	0.9
116.98636	1.2
129.10298	0.5
130.06517	0.5
132.10204	8.7
133.05003	0.4
133.13287	0.4
134.99702	0.8
137.05972	0.8
137.09592	0.6
143.08679	0.6
143.11789	14.7
145.10283	0.5
146.06021	1.0
147.08104	0.4
153.01863	1.1
171.11290	10.2
177.00693	0.5
189.12350	8.4
214.12866	0.5
234.99141	0.7
237.02847	0.6
256.18765	0.5
266.24786	0.7
284.25830	0.7
285.12317	0.6
302.04114	1.0
302.07309	1.0
302.20703	1.1
302.26932	4.8
303.04907	5.6
303.13373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05502	0.6
56.05040	0.7
56.96564	0.9
65.03944	0.9
67.05501	1.3
68.99785	3.1
69.03423	1.0
69.07074	4.3
69.59395	3.2
70.06598	1.6
71.04977	0.6
72.08160	0.9
75.05610	8.2
79.05497	0.6
79.72871	0.5
81.03419	1.2
81.07058	1.3
81.96360	0.5
84.08161	0.6
85.02918	1.0
86.06067	0.5
86.09708	98.4
87.10067	0.9
88.03940	0.5
91.05495	1.1
93.07059	0.7
95.04964	1.4
95.08599	0.7
97.02903	0.5
103.05389	0.6
105.07022	1.1
107.04961	1.7
107.08614	0.6
109.02882	1.3
109.06521	0.4
111.00809	1.6
111.04436	0.6
116.98627	1.5
117.06973	0.9
121.02878	2.2
123.08138	0.5
127.03928	1.2
129.07059	0.6
131.04939	0.8
132.10211	13.8
133.06451	0.5
135.04372	0.6
137.02354	8.1
137.06015	1.1
139.66628	0.5
143.11798	65.3
144.12122	0.6
145.06509	1.0
153.01845	9.9
155.04883	1.0
161.05949	0.9
163.03879	1.6
165.01849	3.3
165.06949	0.5
171.09827	0.8
171.11295	15.7
173.06030	1.8
183.02968	1.2
183.04475	1.4
187.03824	1.3
189.12372	4.5
191.03398	0.6
201.05499	4.6
220.95392	0.5
228.04219	0.9
229.04955	9.6
245.04469	0.6
245.18767	0.5
246.05069	0.8
247.06052	1.9
256.09659	0.6
256.19159	0.8
257.04480	6.1
271.08377	0.6
274.04706	2.2
275.05426	0.6
285.03870	2.7
293.11325	0.5
301.03583	0.8
302.03891	3.3
302.26810	2.4
303.04999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01857	1.4
56.05027	1.6
56.96552	2.9
57.03422	4.4
61.02912	2.7
66.16505	1.2
67.05505	34.5
69.03428	19.6
69.07066	42.7
70.06588	3.5
70.60681	4.7
72.08147	3.8
79.05511	1.4
81.03409	6.7
81.07027	1.5
84.04488	2.0
84.08123	5.0
85.02903	56.5
86.02422	1.8
86.09687	5.0
94.06541	1.6
95.04967	47.4
97.02885	45.0
98.97561	2.0
99.04456	1.2
103.03933	4.9
109.02876	9.4
112.06825	1.6
112.07600	33.1
113.05985	3.6
116.98628	1.8
122.05986	3.4
123.04335	1.6
124.07561	3.0
127.03905	10.3
129.10229	1.9
134.99683	1.7
136.07553	3.9
140.07062	100.0
145.04935	5.3
152.07047	1.3
154.08678	7.7
158.11749	2.4
164.06937	1.8
173.07025	1.4
178.08563	3.0
182.08133	70.3
183.08502	1.3
206.08139	15.3
213.97964	1.3
218.08148	2.1
236.09184	2.9
248.09184	11.7
267.58832	1.4
284.11313	2.3
285.12408	2.5
302.12305	2.5
302.19528	4.8
303.13959	3.4
315.39035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.15
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01866	2.1
55.05500	1.7
56.96562	4.5
57.07084	0.9
58.06579	1.1
67.05485	3.5
69.07079	1.9
70.06599	41.2
70.95416	1.1
70.95714	0.9
72.08148	2.5
72.19011	0.8
78.56009	0.8
79.05483	2.0
80.97065	1.1
81.07043	3.4
83.04948	1.1
83.08645	1.1
84.04496	1.3
84.08141	4.4
85.02898	1.9
86.09706	5.3
91.05474	2.5
93.07043	1.6
95.04967	1.4
95.08599	3.5
98.97607	4.8
103.10436	0.9
105.06996	1.7
114.05539	23.2
115.05457	2.5
116.06335	1.4
116.07098	20.3
116.98656	4.6
117.05727	3.3
119.01920	1.1
119.08618	1.9
121.06485	1.1
123.08077	1.6
125.07114	4.7
129.10211	1.7
130.06528	20.1
131.70399	0.8
132.08095	50.6
134.99657	2.2
137.06023	1.0
142.06523	7.4
144.08095	17.3
146.99593	1.4
147.11681	1.5
149.09633	1.2
151.07529	2.0
153.01848	3.2
154.18024	0.8
155.02942	0.9
158.99663	2.3
159.09184	100.0
160.07616	6.4
160.09564	1.5
160.84576	0.9
170.06026	26.8
171.07671	4.2
172.07574	3.4
177.00757	4.0
183.07884	0.9
188.06976	1.7
189.00710	1.5
200.04436	2.9
201.12326	0.9
207.13882	1.2
219.01698	1.7
229.04924	1.1
243.11414	1.7
249.71657	0.9
257.12909	4.5
284.25931	1.8
285.12347	47.8
302.04193	4.5
302.07318	1.9
302.11691	1.5
302.14917	5.0
302.26935	8.7
303.04883	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65535	0.5
56.96558	2.0
58.06596	1.3
60.04522	1.1
63.16970	0.4
66.43319	0.4
68.05026	9.1
69.07066	1.0
70.06591	8.2
70.10760	1.1
70.11167	1.5
72.08151	2.7
84.04501	1.1
84.08129	2.8
86.06065	100.0
86.09708	8.2
88.04002	0.6
106.46635	0.5
112.05013	0.5
116.07117	1.5
129.10277	0.9
130.04971	0.9
132.10213	0.8
132.79176	0.5
140.03433	0.8
143.08157	37.2
144.06596	1.2
144.08151	0.6
153.94135	0.5
157.09746	2.1
159.11317	1.0
171.07645	34.5
172.95258	0.9
173.02863	0.5
176.04185	0.6
185.09224	1.2
189.08783	0.5
190.96303	0.8
195.89514	0.7
199.14455	1.7
199.98665	0.6
200.04062	0.7
215.13925	2.1
222.04285	0.9
240.05461	0.7
245.14973	18.0
256.16605	0.9
284.16135	1.1
285.14401	2.5
296.36176	0.5
302.01111	0.5
302.07278	1.2
302.16971	5.2
303.10495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17268	0.9
55.05504	6.6
56.96565	2.1
67.05492	2.4
69.03419	1.4
69.07059	2.1
70.06572	2.2
71.60263	1.3
72.08157	100.0
81.03408	1.1
81.07053	1.9
84.08128	3.5
85.02907	4.1
86.09707	35.8
91.05483	3.1
95.08618	1.8
97.02879	1.6
97.06528	1.2
98.97589	1.0
99.04482	1.0
100.07595	1.2
118.08678	1.4
123.08044	1.0
129.10208	1.4
130.06500	0.9
132.10211	6.7
134.99689	1.5
136.07545	1.3
143.11797	65.4
149.04767	0.9
149.09647	1.3
157.13362	15.0
171.11290	28.0
182.08179	1.5
185.12836	6.6
203.13925	2.2
208.83421	0.9
221.09509	1.2
222.08429	0.8
231.17001	2.9
239.11903	2.2
243.11057	1.2
266.24234	1.1
284.25754	1.4
285.12268	7.4
302.04254	1.0
302.18988	3.4
302.26730	3.1
303.04852	2.7
303.13467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
53.03940	4.4
55.05506	6.5
57.03439	3.4
57.07067	10.4
60.04518	4.1
67.05509	18.4
68.22527	2.3
69.03419	3.9
69.07060	12.0
69.92733	14.3
70.06583	11.5
71.04985	4.2
71.08614	2.7
79.05501	14.2
81.07059	19.4
83.04954	2.2
83.08615	3.7
84.15715	2.1
85.06552	2.4
88.07631	13.5
91.05017	2.7
91.05484	21.8
93.07046	23.3
95.04972	16.7
95.08617	21.3
97.06517	7.5
100.58015	2.4
102.09196	4.7
104.02354	2.1
105.07031	44.3
106.08658	4.9
107.08595	32.1
109.06528	26.9
109.10166	21.1
111.08046	4.2
115.05441	2.7
117.07023	9.5
119.08582	39.7
119.58150	2.4
121.06517	8.5
121.10136	19.2
123.08074	4.8
123.11668	3.3
124.48333	2.1
125.09586	2.8
128.06238	6.1
129.06996	7.0
130.07761	5.1
131.08569	39.3
133.06528	2.8
133.10130	25.4
135.08057	18.6
135.11656	6.3
137.09624	4.5
142.07784	4.4
143.08572	17.8
144.09357	5.1
145.10130	34.0
147.07956	3.1
147.11700	14.7
149.13261	4.5
155.94864	2.2
156.09323	3.8
157.10106	18.0
158.10872	7.5
159.08054	6.2
159.11736	15.1
161.09637	36.8
161.13246	3.7
162.98366	2.2
163.11246	2.9
167.08623	2.8
169.10188	3.8
171.11659	10.8
173.09726	3.0
173.13258	69.5
175.11282	3.4
175.14789	6.4
179.08582	5.1
181.10033	3.7
183.11728	7.8
185.13258	8.5
187.14755	4.4
191.14355	20.4
194.10913	4.4
195.11685	5.8
197.13184	2.7
199.14850	7.8
201.12724	4.8
209.13283	9.6
210.13910	2.4
213.12747	4.3
217.15799	3.5
223.14760	5.3
225.16263	3.3
227.14281	5.2
265.19595	8.3
273.35559	2.6
283.17746	2.8
283.20398	14.0
283.28079	10.5
284.29715	3.1
286.04840	2.9
301.07004	6.7
301.17783	11.5
301.21622	29.1
301.29410	4.8
302.30527	100.0
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
54.76202	3.2
55.05509	15.1
56.96560	4.8
57.07062	5.1
67.05509	22.5
68.98045	3.6
69.07072	10.9
79.05491	12.9
81.07040	23.6
83.08631	10.1
91.05497	16.6
93.07036	19.6
95.04964	4.0
95.08047	6.3
95.08611	72.0
97.06543	4.3
97.10144	4.7
105.07036	24.1
107.08588	26.9
109.10139	19.1
116.98650	5.4
117.07036	8.7
119.08581	63.1
121.10159	22.0
123.08051	4.5
123.11702	4.2
125.05917	4.0
131.08575	17.5
133.10110	48.4
134.99652	5.6
135.11705	11.4
143.08585	9.0
145.10104	28.3
147.11702	16.4
157.10114	11.6
158.10873	5.8
159.11674	28.6
160.12523	3.8
161.13257	21.5
164.40781	3.4
171.10388	3.8
171.11620	17.3
173.13242	28.1
185.13329	17.2
187.11177	8.8
187.14812	17.8
188.15508	5.4
189.16385	7.9
199.14803	10.7
201.16386	16.1
213.16493	7.5
241.19508	13.4
245.15530	4.1
249.46660	3.8
255.21098	28.2
258.05307	17.7
272.94196	4.6
283.20529	13.2
286.04666	23.4
301.07022	36.7
301.21631	100.0
301.32822	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.05506	6.5
57.03439	3.4
57.07067	10.4
60.04518	4.1
67.05509	18.4
68.22527	2.3
69.03419	3.9
69.07060	12.0
69.92733	14.3
70.06583	11.5
71.04985	4.2
71.08614	2.7
79.05501	14.2
81.07059	19.4
83.04954	2.2
83.08615	3.7
84.15715	2.1
85.06552	2.4
88.07631	13.5
91.05017	2.7
91.05484	21.8
93.07046	23.3
95.04972	16.7
95.08617	21.3
97.06517	7.5
100.58015	2.4
102.09196	4.7
104.02354	2.1
105.07031	44.3
106.08658	4.9
107.08595	32.1
109.06528	26.9
109.10166	21.1
111.08046	4.2
115.05441	2.7
117.07023	9.5
119.08582	39.7
119.58150	2.4
121.06517	8.5
121.10136	19.2
123.08074	4.8
123.11668	3.3
124.48333	2.1
125.09586	2.8
128.06238	6.1
129.06996	7.0
130.07761	5.1
131.08569	39.3
133.06528	2.8
133.10130	25.4
135.08057	18.6
135.11656	6.3
137.09624	4.5
142.07784	4.4
143.08572	17.8
144.09357	5.1
145.10130	34.0
147.07956	3.1
147.11700	14.7
149.13261	4.5
155.94864	2.2
156.09323	3.8
157.10106	18.0
158.10872	7.5
159.08054	6.2
159.11736	15.1
161.09637	36.8
161.13246	3.7
162.98366	2.2
163.11246	2.9
167.08623	2.8
169.10188	3.8
171.11659	10.8
173.09726	3.0
173.13258	69.5
175.11282	3.4
175.14789	6.4
179.08582	5.1
181.10033	3.7
183.11728	7.8
185.13258	8.5
187.14755	4.4
191.14355	20.4
194.10913	4.4
195.11685	5.8
197.13184	2.7
199.14850	7.8
201.12724	4.8
209.13283	9.6
210.13910	2.4
213.12747	4.3
217.15799	3.5
223.14760	5.3
225.16263	3.3
227.14281	5.2
265.19595	8.3
273.35559	2.6
283.17746	2.8
283.20398	14.0
283.28079	10.5
284.29715	3.1
286.04840	2.9
301.07004	6.7
301.17783	11.5
301.21622	29.1
301.29410	4.8
302.30527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.05519	7.6
56.47866	3.0
56.84937	3.5
56.96556	9.9
59.01530	2.9
63.59033	3.2
64.81503	3.3
65.19888	3.1
67.05503	22.2
69.07066	12.3
71.59839	3.7
73.83217	3.0
79.05479	12.7
81.07047	25.7
83.04948	3.8
83.08630	5.4
84.08116	3.2
91.05473	16.5
93.07050	22.4
95.04971	4.3
95.08596	27.7
97.06526	8.9
98.97584	9.1
105.07021	49.1
107.08595	43.4
107.11526	2.9
107.48096	2.8
109.06493	3.8
109.10141	35.9
115.05456	3.4
116.98602	3.9
117.07036	9.9
119.08574	63.7
121.10140	12.0
125.09617	3.8
125.54082	2.7
129.07033	4.1
131.08575	21.3
133.10150	22.9
134.99686	7.8
135.11693	8.5
143.08565	11.6
145.10114	44.8
147.04434	4.4
147.11685	24.8
149.13251	4.1
151.11156	3.3
157.10114	10.7
159.11740	19.1
161.13289	18.3
169.10060	4.3
171.11638	5.6
173.13263	11.2
175.14862	5.0
179.10738	5.6
185.13289	6.7
193.12244	7.7
199.14784	22.0
201.12740	6.1
205.12123	4.3
213.16368	11.1
227.18004	9.3
229.07494	4.1
245.15298	6.0
247.08502	3.7
254.96094	3.6
255.21094	100.0
258.05301	12.6
283.20514	10.1
286.04694	16.1
295.95908	5.7
301.07037	29.9
301.14435	4.4
301.21585	90.3
302.07123	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05513	24.4
56.96555	4.8
57.07064	5.2
58.19812	2.0
67.05499	24.6
69.07063	20.2
69.72437	13.1
78.92083	1.7
79.05494	17.1
81.07057	28.0
83.04988	4.8
83.08623	10.0
85.02921	1.9
91.05466	21.8
93.07035	38.9
95.04972	4.2
95.08602	80.8
97.06529	3.2
97.10168	9.3
98.97556	3.9
103.05401	2.6
103.35303	1.7
105.03768	2.3
105.07025	33.4
107.04939	2.5
107.08587	46.7
109.06506	2.1
109.10139	31.9
111.04462	4.7
111.08080	2.5
111.11694	2.4
116.98642	5.9
117.07000	4.8
119.08582	42.7
121.10135	31.9
123.08096	3.0
123.11717	11.7
125.05962	2.5
129.07045	5.6
131.08586	14.7
133.06456	2.9
133.10120	26.5
134.67696	1.8
134.99661	7.2
135.08000	3.0
135.11679	20.7
137.05997	1.9
139.07555	3.1
141.06985	2.1
142.07732	4.4
143.08586	12.4
145.10123	24.2
147.08029	4.2
147.11690	22.4
149.12122	1.8
149.13190	10.4
150.41425	2.0
151.07489	4.1
153.00737	4.3
155.08502	2.8
156.09375	4.2
157.06476	1.7
157.10109	17.9
158.10837	2.7
159.07974	3.1
159.11679	24.5
161.09604	4.9
161.13240	14.9
163.07556	2.7
163.14851	5.0
165.09187	4.2
169.10107	5.3
170.10889	2.3
171.08099	3.4
171.11684	14.8
173.09659	5.1
173.13245	15.4
175.14822	5.8
177.09068	2.9
179.10669	6.0
183.11737	4.2
185.09561	4.4
185.13235	13.2
187.11172	10.4
187.14818	6.6
189.09067	3.3
189.12706	3.0
189.16399	2.9
191.10649	3.4
197.13329	3.8
199.11189	7.1
199.14850	10.6
201.12766	3.9
201.16383	8.6
203.10663	5.6
203.17932	5.4
205.12173	12.6
209.13441	1.8
213.12746	8.5
213.16418	4.4
215.14343	2.1
217.12241	7.2
219.13826	6.8
227.14342	3.4
231.13809	17.7
233.15344	3.4
239.17920	5.0
241.15758	2.1
241.19464	9.4
245.04636	2.5
245.15437	11.5
251.20102	2.2
254.96078	2.2
255.21068	11.2
258.05264	4.6
259.17053	3.6
265.19528	3.5
273.03912	3.7
273.21967	2.2
283.20581	17.3
286.04703	6.9
294.35547	1.9
295.96005	4.5
301.06937	9.2
301.18359	4.6
301.21609	100.0
302.22079	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
55.05502	11.0
67.05508	17.9
67.80396	2.3
69.07062	9.9
69.32353	26.2
79.05495	7.7
80.37025	2.3
81.07038	16.9
83.08605	6.6
91.05476	13.8
93.07036	23.1
95.04999	3.1
95.08601	100.0
105.07017	19.3
107.08578	23.3
107.52424	2.3
109.10155	12.9
111.04399	3.7
117.06988	3.6
119.08569	22.9
120.18715	2.5
121.10117	15.1
123.08134	2.7
123.11698	6.4
125.05968	3.7
129.07034	3.4
130.07794	2.5
131.08582	5.2
133.10123	17.1
133.11063	2.5
135.11661	11.2
137.06000	2.8
143.08514	5.1
145.10106	7.9
147.08023	3.1
147.11687	8.6
149.13234	5.2
157.10101	7.8
159.11717	10.5
161.09587	3.0
161.13205	5.9
163.72408	2.2
169.10222	2.9
171.11710	5.2
173.13251	4.9
179.10716	4.1
185.13258	8.5
187.11243	5.3
191.10651	3.3
191.17906	2.4
199.14781	4.9
201.12724	4.1
201.16331	4.9
203.17990	5.0
205.12230	4.6
217.12257	3.4
219.13925	3.2
227.14285	3.7
231.13774	8.2
239.17827	3.7
241.19623	2.7
245.15472	4.3
255.21094	6.8
259.16873	3.6
263.86044	2.6
283.20541	8.7
297.96042	2.6
301.07251	6.0
301.21600	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03932	2.5
55.05511	12.2
57.07056	3.9
57.07302	0.9
59.05005	1.0
62.06086	13.1
63.06407	1.6
63.49478	0.8
63.49808	0.8
64.05434	0.9
65.03926	1.7
67.05171	1.5
67.05504	21.7
69.06773	0.9
69.07066	9.8
71.08617	1.8
71.33659	2.2
79.05489	10.1
81.07056	17.6
83.04983	1.6
83.08611	5.2
85.10175	1.2
90.23852	0.8
91.05485	12.2
93.07046	25.1
95.04955	1.8
95.08603	100.0
95.47718	0.9
96.08933	1.7
97.02891	1.1
97.06542	1.4
97.10158	2.9
103.05452	1.0
105.07025	19.5
107.04926	3.5
107.08591	24.2
109.06496	1.1
109.10149	17.0
111.04434	3.2
117.07033	4.8
119.08579	22.8
121.06535	1.8
121.10147	22.2
123.08037	1.9
123.11717	7.6
125.05968	6.3
128.06200	1.5
129.06973	3.7
130.07745	1.1
131.08586	6.8
133.06479	1.0
133.09122	1.2
133.10126	20.4
135.11687	14.1
137.05948	3.2
137.13211	1.7
139.07590	2.0
139.11121	0.9
141.82837	0.8
142.07790	0.9
143.08577	4.5
144.09331	1.4
145.10114	10.9
147.08047	1.8
147.11678	11.8
149.13289	5.3
153.09134	0.9
155.08565	1.7
156.09326	1.6
157.10118	8.5
159.08122	1.2
159.11690	12.6
161.09608	3.1
161.13258	7.6
163.14803	2.5
165.09068	1.9
169.10089	2.5
170.10934	2.2
171.11719	7.4
173.09641	1.4
173.13298	6.1
175.14818	3.5
177.09111	0.9
179.10640	4.5
181.10133	1.0
181.12199	1.2
183.11697	1.8
185.09711	1.9
185.13240	7.1
187.11185	6.8
187.14786	3.9
189.09123	1.4
191.10599	2.4
193.12144	1.8
197.13261	1.4
198.10466	0.9
199.11134	2.8
199.14742	5.1
201.12659	3.0
201.16420	4.4
203.10683	1.9
203.17921	5.9
205.10670	1.0
205.12268	6.6
207.13863	1.5
213.12733	3.7
213.16403	2.0
217.12195	3.8
219.13757	2.1
221.69080	1.0
227.14220	2.5
231.13809	7.4
239.17885	1.7
241.15837	1.8
241.19516	4.2
245.15367	5.1
255.21086	7.9
258.05273	1.3
259.16904	2.6
265.19492	2.1
283.20493	9.0
284.26321	1.0
286.04709	1.3
301.07138	1.8
301.21606	57.1
301.29214	4.2
302.22055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.79268	1.2
55.05512	11.2
55.51171	1.4
57.07072	3.1
63.38363	1.5
67.05507	20.9
67.93854	1.4
69.07059	10.2
69.41302	10.6
69.41716	3.8
79.05077	1.7
79.05475	11.8
80.56081	1.4
81.07062	16.2
83.05004	1.7
83.08620	5.5
85.02926	1.3
85.24741	1.4
89.70913	1.3
91.05476	14.8
93.07046	24.2
94.88969	1.3
95.04979	2.3
95.08608	100.0
97.02900	1.6
97.06504	2.3
97.10170	4.0
98.21457	2.6
103.12688	1.4
105.07031	18.6
107.04988	2.2
107.08597	30.2
109.06529	2.2
109.10152	16.6
111.04455	6.2
111.71146	1.8
117.07007	2.7
119.08589	21.5
121.06499	3.5
121.10151	22.2
123.08050	1.6
123.11718	8.0
125.05997	7.1
129.07021	3.3
131.08577	6.5
133.10120	20.1
135.11707	14.0
137.06006	2.3
142.07747	2.5
143.08557	6.2
144.09373	2.1
145.10141	12.2
147.11676	10.0
149.13251	6.5
151.07532	2.6
156.54358	1.8
157.10120	7.0
159.11684	14.5
161.09627	2.6
161.13277	7.9
169.10167	3.4
171.11703	9.2
173.09612	3.1
173.13205	8.5
175.14915	2.2
177.09071	1.8
179.10703	3.9
185.09659	1.8
185.13268	5.8
187.11189	5.4
187.14825	2.5
191.50711	1.7
197.13301	2.5
199.14853	5.0
201.16466	3.2
203.10654	2.3
203.17978	4.8
205.12241	4.1
207.13760	2.4
209.13289	2.2
213.12764	2.8
213.16371	2.4
217.12248	4.3
219.13812	4.4
223.15102	1.7
231.13783	6.8
239.18185	2.8
241.19548	3.3
245.15376	3.3
255.21132	9.3
258.05200	4.3
259.16855	2.9
283.20517	9.1
284.77536	1.9
286.04706	5.0
301.06989	9.1
301.21631	53.2
302.21902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
54.19659	4.6
55.01874	14.7
55.05508	24.1
57.03438	32.7
58.71946	5.3
67.05506	68.6
67.70345	5.1
69.07078	8.1
71.04987	9.7
71.60136	9.0
73.67043	4.7
79.05496	58.8
81.03439	12.8
81.07061	43.1
83.04975	30.9
83.08601	7.3
85.06528	8.9
91.05486	36.2
93.07040	61.8
95.04959	25.4
95.08599	24.8
97.06529	15.9
97.10162	6.3
99.04455	7.5
105.07032	12.1
107.04949	44.6
107.08584	30.1
109.06507	10.2
109.10173	10.9
111.04450	29.2
111.08093	12.5
117.07026	17.0
119.08592	21.5
121.06494	7.2
121.10127	61.2
123.08010	7.4
125.06029	5.9
129.07037	7.1
130.07864	6.6
131.08557	19.4
135.11694	44.3
143.08432	4.6
145.06512	12.6
145.10118	52.1
149.09634	14.8
153.12758	15.0
155.08623	9.9
163.11195	64.3
173.09642	25.6
181.12207	26.5
191.10669	37.2
209.11766	7.4
227.12779	13.9
245.13699	6.8
258.05191	36.3
286.04758	52.2
301.07043	100.0
301.16486	69.6
301.21747	7.1
301.33145	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	301.2161
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.17590	1.9
53.03908	2.3
54.42855	1.9
55.05513	14.5
57.03435	3.7
57.07078	4.2
67.05502	33.4
69.07072	11.2
69.84921	12.1
71.86074	2.0
74.43857	2.0
79.05489	13.2
79.32166	2.1
81.07055	27.9
83.08611	7.7
91.05459	18.8
93.07040	26.5
95.04973	8.9
95.08604	100.0
97.10140	6.0
100.69182	2.4
105.07041	23.4
107.04951	4.4
107.08592	37.5
109.06521	4.4
109.10164	22.6
111.04433	4.8
117.07010	6.1
119.08575	32.1
121.10136	29.4
123.08051	3.3
123.11710	8.8
125.05986	6.2
131.08562	11.5
133.10135	20.0
135.08104	2.2
135.11690	16.7
137.05922	2.6
137.09634	8.7
137.13242	3.0
143.08534	7.0
145.10091	17.3
147.11720	13.4
149.09746	2.0
149.13254	7.7
156.09224	2.7
157.10127	12.2
159.11702	15.5
161.09621	4.6
161.13240	10.7
163.14816	3.1
165.09090	4.0
169.10132	3.8
171.11694	9.6
173.13284	8.5
175.14819	3.6
179.10663	3.1
185.09628	3.0
185.13269	7.8
187.11154	7.1
187.14854	2.9
191.10703	3.8
191.14331	6.1
191.61557	2.0
197.13324	4.3
199.11345	2.9
199.14845	7.6
201.12772	2.7
201.16422	5.5
203.10666	2.2
203.17984	4.8
205.12285	8.4
213.12788	5.0
213.16423	3.3
217.12263	6.6
219.13675	3.6
231.13794	12.1
234.45264	2.3
239.17723	2.7
241.19606	3.7
245.15219	5.2
255.21092	10.6
258.05252	7.4
259.17001	4.4
283.20557	15.3
286.04758	7.8
301.07025	25.5
301.21631	84.3
302.21957	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77264	2.5
53.03938	7.6
55.01872	22.7
55.05509	32.7
56.96572	12.7
57.03433	46.7
57.07058	3.4
58.06583	3.1
60.61352	2.4
61.59122	2.2
61.88103	2.1
65.03921	6.9
67.05504	94.9
68.79851	2.3
69.03422	11.0
69.07063	27.2
69.96581	7.4
69.96974	4.7
70.06585	5.3
71.01351	3.3
71.04993	13.4
72.08124	3.9
73.02908	3.6
74.17822	2.8
79.05489	100.0
79.67163	2.4
80.05799	3.2
81.03408	18.6
81.07051	85.1
82.07394	2.9
83.04976	45.6
83.08624	14.5
84.08134	8.0
84.43883	2.7
85.02899	23.1
85.06535	14.0
86.09702	11.2
87.04465	3.3
91.05477	65.3
93.03404	4.1
93.06459	5.8
93.07040	86.8
95.04971	34.9
95.08610	38.8
97.02898	7.2
97.06525	33.2
97.10142	4.9
98.97579	9.0
99.04461	13.6
99.08085	5.6
101.06018	3.2
102.09206	6.0
103.05426	2.9
105.07018	31.3
106.07355	2.5
107.04277	4.6
107.04958	63.0
107.08593	52.1
108.08913	2.8
109.06526	6.7
109.10139	14.5
111.04442	52.5
111.08087	14.2
112.09283	2.8
115.05488	3.0
116.98617	8.9
117.07022	29.7
119.08574	37.2
121.06516	10.1
121.10139	79.8
123.08070	10.6
123.11674	2.7
124.07579	2.8
125.05983	7.7
125.09634	3.6
127.03937	3.1
128.98592	6.4
129.05489	5.6
129.07011	10.4
130.07811	5.5
131.04948	8.2
131.08545	28.6
133.06401	2.7
133.10118	8.2
134.99619	6.6
135.08037	7.4
135.11682	64.0
137.05969	12.6
137.09593	5.1
139.07513	5.7
139.11203	5.5
143.08551	6.7
144.82860	2.4
145.05087	2.8
145.06485	14.6
145.10117	82.6
146.99670	5.4
147.08055	5.1
147.11674	7.3
149.05978	5.1
149.09578	16.2
151.07547	7.2
153.07024	6.4
153.12746	24.8
155.08572	16.1
157.10172	3.0
161.01335	4.0
163.11174	94.1
163.12521	4.7
165.09155	4.0
173.09637	48.1
173.11108	1.6
173.13350	3.2
177.00671	5.0
181.06497	5.5
181.12221	38.9
184.17004	7.1
185.17285	10.0
191.10654	46.9
191.12305	3.1
197.06012	3.6
198.06741	6.2
209.09950	4.4
209.11731	36.0
210.06776	2.9
211.77139	2.4
213.09021	2.7
215.05544	2.5
219.01839	5.1
226.06200	13.4
227.12798	33.2
237.02777	14.6
239.97154	2.9
241.08511	25.4
245.13881	5.9
255.11388	5.3
265.14383	3.5
265.17715	2.9
269.08118	9.1
273.03925	7.5
283.10782	4.7
283.15356	19.9
283.24576	8.6
286.04779	5.1
286.08182	5.5
301.03537	7.4
301.07095	6.6
301.11295	29.2
301.16541	89.4
301.21957	5.1
301.25543	29.1
303.08490	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44775	2.6
53.03937	6.0
55.01873	23.6
55.05510	25.5
56.74505	3.0
56.96564	5.3
57.03433	42.1
57.07068	3.8
65.03952	5.7
67.05502	90.4
69.03419	7.6
69.07059	18.4
70.06592	3.9
70.15668	13.6
71.04979	7.7
73.02901	4.8
75.38293	3.2
79.05490	94.1
81.03410	16.4
81.07054	72.2
83.04981	51.0
83.08607	8.7
85.02905	11.7
85.06535	10.0
86.09708	5.3
90.15804	2.9
91.05482	53.7
93.07039	90.7
95.04967	32.3
95.08616	30.0
97.02879	4.1
97.06533	31.0
98.97589	7.2
99.04453	8.1
99.08067	3.8
105.07019	28.1
107.04942	60.5
107.08575	47.1
109.06522	9.0
109.10159	15.4
111.04436	57.7
111.08070	8.4
115.05444	6.2
116.06239	3.8
116.98541	3.7
117.07021	28.2
119.08588	34.5
121.06480	15.0
121.10149	78.7
123.04396	5.9
123.08061	7.9
125.05958	7.4
128.06203	3.7
129.07010	10.1
130.07814	4.8
131.04926	8.1
131.08557	25.3
133.10127	6.2
134.99663	3.7
135.08020	12.0
135.11697	58.5
137.05965	6.0
143.08545	6.2
145.06494	14.8
145.10121	78.2
147.08022	10.4
147.11658	6.4
149.05910	3.5
149.09627	20.1
153.06952	6.6
153.12711	20.2
155.08527	15.8
158.75842	3.7
159.11624	3.5
163.11177	100.0
163.38293	3.2
173.09624	51.4
177.00714	3.4
181.06451	6.3
181.12221	49.2
188.13046	3.5
191.10658	42.6
195.08057	3.3
197.06035	4.4
198.06718	7.6
201.12595	3.0
203.03214	4.0
209.11694	29.2
226.06267	10.3
227.12785	33.2
237.02847	4.5
241.08521	27.1
245.04501	10.1
255.11360	9.2
259.10876	6.0
265.14362	3.7
269.08047	17.4
273.03864	20.4
273.15936	4.6
283.10492	5.4
283.15463	17.6
290.09177	4.9
301.03625	25.2
301.07248	7.8
301.10901	32.9
301.16458	96.2
301.21674	6.8
301.25491	4.8
302.03934	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	301.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.51821	0.8
53.91993	0.7
55.01861	3.1
55.05511	11.6
56.96568	1.8
57.03425	3.0
57.07084	1.6
60.20031	0.8
67.05501	10.0
69.03424	2.8
69.07067	27.7
71.08620	2.8
71.60054	1.5
79.05494	12.5
81.07040	4.1
83.04976	14.3
83.08600	2.2
89.03916	9.5
91.05479	3.2
93.07044	12.5
95.04972	2.2
95.08598	12.1
97.06533	2.8
98.97556	2.0
105.07010	3.3
107.04951	2.8
109.10184	1.2
116.98598	2.1
117.03382	9.2
119.04910	0.9
121.10155	2.4
131.08580	1.0
133.02846	1.3
134.03630	2.7
134.99649	4.0
135.04413	17.4
139.11177	30.4
145.02838	14.2
145.10110	1.5
153.00734	1.1
159.04396	1.8
161.02332	1.7
163.03909	100.0
173.02322	3.7
175.03983	0.9
185.06021	0.9
186.05518	1.5
187.03912	3.1
203.06892	0.8
217.04910	2.4
231.06531	4.3
240.23059	1.0
257.11694	5.8
258.05258	12.4
286.04703	14.3
295.96082	1.1
301.07089	26.8
301.10846	1.7
301.14297	13.0
301.17715	2.1
301.21490	2.0
301.29224	8.2
302.07346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01867	27.7
55.05508	25.7
57.03433	48.8
57.07068	2.7
65.03932	7.8
67.05503	94.1
68.05837	2.4
69.03418	5.7
69.07063	21.2
70.72382	8.7
71.04993	15.1
73.02903	3.8
73.43129	2.6
79.05492	100.0
81.03419	16.4
81.07059	79.4
83.04979	41.7
83.08621	11.6
85.02904	7.5
85.06544	14.8
86.09689	5.0
91.05481	51.2
93.03363	4.0
93.07044	95.8
95.04969	33.6
95.08604	36.9
97.02872	4.7
97.06522	31.9
97.10144	3.9
99.04445	11.1
99.08143	2.9
100.27055	2.8
103.05453	3.8
105.07029	25.2
107.04955	70.6
107.08593	48.5
109.06537	7.6
109.10146	9.4
111.04440	52.3
111.08069	12.7
115.05502	4.9
117.07009	29.6
118.88961	2.7
119.08571	25.7
119.68731	2.5
121.06493	11.2
121.10142	88.6
123.04414	5.1
123.08039	6.7
125.05955	10.1
129.05458	2.5
129.06996	8.6
130.07776	5.3
131.04921	5.5
131.08580	24.0
133.10176	3.7
134.99628	2.6
135.08092	5.8
135.11690	66.1
139.11176	6.2
141.11305	2.3
143.08530	4.5
145.06494	13.3
145.09030	5.8
145.10117	77.5
147.08049	7.2
147.11700	5.8
149.09587	14.6
153.06914	3.4
153.12729	26.4
155.08553	19.7
157.10236	2.6
159.11684	2.9
163.11174	96.1
173.09630	55.8
173.11180	2.5
173.13266	2.6
181.12234	39.7
185.11783	3.0
191.10660	55.2
197.13258	2.3
209.11739	23.8
226.06320	3.4
227.12758	27.1
241.08597	3.6
245.04355	3.1
245.13849	10.4
255.11339	6.5
259.11020	3.1
265.14392	6.7
269.08054	3.6
271.05966	2.6
273.03821	5.4
283.10791	3.7
283.15427	11.0
301.03357	5.9
301.07025	3.1
301.11221	8.7
301.16461	98.9
301.25684	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	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03933	0.5
55.01878	0.5
55.05480	1.1
56.96526	1.3
57.07044	0.5
65.03905	1.7
67.05500	3.2
69.03399	0.7
69.07021	2.0
69.07347	0.5
71.04957	0.5
71.21217	0.9
79.05451	1.9
81.07055	3.4
83.04951	0.8
83.08594	0.7
85.02856	0.5
91.05473	2.4
92.05018	2.2
93.07024	2.5
94.06536	0.8
95.04931	1.3
95.08578	2.7
97.06506	1.5
105.07022	2.6
106.06497	0.6
107.08546	2.1
109.10101	1.5
115.05439	0.5
116.98553	1.2
117.06976	0.8
118.06538	0.6
119.08528	2.0
120.04430	2.1
121.06527	0.4
121.10090	1.6
122.05993	1.9
122.69570	0.4
123.11665	0.8
128.06203	0.9
129.06982	1.0
130.06471	0.6
131.01694	0.4
131.07545	0.4
131.08527	1.9
133.10065	1.6
134.99599	1.2
135.11626	0.6
136.07518	2.0
141.06941	0.8
143.08530	1.2
145.08914	0.5
145.10051	1.3
146.09584	0.5
147.11674	0.8
148.03862	0.6
149.13228	0.6
150.18909	0.4
153.06944	1.0
154.06485	0.7
154.07684	0.5
155.07266	0.7
155.08472	0.8
157.08856	0.6
157.10114	1.3
158.09650	0.6
159.11682	1.5
162.05467	1.4
163.11143	0.5
165.07043	0.6
167.07272	2.4
167.08488	0.9
168.08060	1.5
169.07607	0.9
169.08827	1.8
169.10123	1.0
170.06046	0.5
170.08382	2.2
170.09636	0.8
171.11659	0.6
177.00720	1.0
180.08069	0.9
182.09706	3.0
183.06783	0.9
183.09145	1.7
184.07588	0.6
184.09909	3.1
184.11250	1.4
185.07123	0.8
185.10693	1.1
186.09096	0.5
187.08742	2.4
192.08055	0.7
196.07590	1.7
197.06914	2.6
197.08563	1.1
198.07747	4.1
198.09334	1.0
198.10797	0.4
199.08539	0.9
199.12280	6.4
200.10701	0.6
209.10684	1.1
210.09111	5.8
211.08621	7.0
212.09282	11.3
213.06618	0.5
213.10199	7.1
219.01631	0.7
222.07840	0.5
223.08678	0.8
225.06587	2.8
225.10194	1.5
226.07312	5.5
226.11037	1.1
227.08176	1.2
227.11778	28.8
228.12161	0.7
237.10216	2.2
238.08595	2.3
239.08162	2.5
240.08910	13.6
241.09714	22.3
242.10400	0.5
253.09787	1.0
254.10513	1.1
255.11275	100.0
256.11539	2.2
257.12885	3.1
273.12222	0.9
283.10748	34.3
283.20541	1.2
284.11148	0.6
286.04910	1.0
287.10507	0.5
301.07166	1.3
301.11786	17.8
301.18488	0.6
301.21597	3.5
301.24927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
56.96546	5.0
57.07066	2.0
65.51147	1.7
67.05502	4.4
69.36089	18.7
77.24592	2.0
79.05493	3.5
80.68012	2.2
81.07059	5.3
85.06532	2.5
91.05478	5.0
93.07021	3.5
95.04959	3.4
95.08584	5.8
98.97611	3.3
104.99268	24.7
105.06994	4.6
107.08597	2.2
112.51142	1.9
116.98607	5.0
121.10189	3.6
121.72133	2.0
131.08543	2.2
133.10156	4.2
134.99663	6.4
139.75916	1.9
143.08615	2.7
145.10121	4.2
157.10129	2.7
159.11742	3.1
171.11681	2.1
173.13263	2.4
175.11264	2.2
185.13248	3.4
185.94623	2.1
213.12775	3.6
241.11774	16.7
255.14415	3.6
258.05353	4.0
273.15469	4.3
283.20499	3.6
286.04800	8.9
295.96021	2.7
296.97968	3.1
301.07056	11.4
301.13919	100.0
301.17514	5.1
301.21420	15.3
302.14209	3.9
309.51184	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01887	0.3
55.05506	0.5
56.96580	0.8
65.03953	0.2
67.01884	0.6
67.05508	0.9
68.99781	1.3
69.03448	0.4
69.07066	0.5
70.06047	0.2
70.06600	0.3
70.85195	0.5
70.85562	0.4
71.76247	0.2
72.08179	0.3
73.02940	0.3
73.35248	0.2
74.02460	0.5
79.05494	1.2
81.03450	0.3
81.07075	0.7
82.99512	0.2
83.05006	0.3
84.08161	0.2
85.02929	0.7
86.09727	0.8
88.04020	0.2
90.31877	0.2
91.05495	0.6
93.07063	0.5
95.05003	0.4
95.08643	0.3
97.02928	0.3
97.06529	0.3
98.97607	0.8
105.07055	0.6
107.04982	1.2
107.08613	0.4
109.02924	0.4
110.06041	0.2
115.05465	0.3
116.05020	0.3
116.98645	0.9
117.07022	0.4
119.08604	0.3
121.06543	0.7
121.10156	0.3
125.09637	0.2
128.98621	0.3
130.06522	0.9
131.08606	0.3
133.06497	0.3
134.99689	0.7
135.04393	0.2
137.05991	0.7
143.07272	0.2
144.08064	2.1
145.06471	0.2
145.10146	0.4
146.99677	0.5
149.06003	1.7
151.03905	0.7
153.00696	0.4
153.01808	2.3
153.07005	0.5
158.99706	0.3
161.01222	0.3
161.06076	0.4
170.06017	0.6
170.99742	0.3
171.02884	1.1
171.04311	0.3
175.03975	0.8
177.00743	0.5
177.05492	1.0
181.06503	0.4
189.00667	0.3
189.05510	0.8
191.03845	0.2
195.01859	0.2
199.03839	0.3
201.00697	0.2
203.03534	0.3
213.05521	0.3
217.04968	3.8
219.01625	0.3
229.04971	2.2
236.03099	0.2
237.02823	0.4
241.08604	0.4
245.04465	3.3
246.05022	0.2
255.06552	0.3
255.11398	0.3
257.04370	0.8
258.05243	41.1
259.05588	1.0
259.10797	0.9
273.03928	4.0
283.10614	0.4
286.04712	51.7
287.05002	1.2
300.05957	0.3
301.03555	8.3
301.07028	100.0
302.03967	0.5
302.07388	2.2
319.10287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05495	0.4
56.96555	0.4
65.73763	0.2
67.05487	0.4
69.07050	0.3
70.85373	0.5
70.85729	0.3
71.52579	0.2
75.32142	0.2
79.05475	0.3
81.07027	0.9
83.08609	0.3
91.05443	0.6
93.07018	0.3
95.08583	0.8
97.06528	0.4
98.97585	0.2
105.07005	0.4
107.08596	0.5
109.10136	0.3
109.24702	0.2
119.08583	0.5
121.02868	0.4
121.10154	0.3
123.61086	0.2
131.08566	0.4
133.10097	0.5
134.99649	0.2
136.04532	0.2
145.10071	0.3
153.01822	1.4
159.11703	0.3
168.00555	1.2
186.01538	1.1
229.04988	2.2
230.05707	0.2
241.08575	0.2
255.06631	0.3
255.20958	0.2
257.04459	1.2
258.05240	44.2
259.05563	1.6
269.04639	0.3
283.20575	0.3
286.04715	62.7
287.05081	2.1
301.07062	100.0
301.21677	0.9
302.07339	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87164	0.3
55.01872	0.3
56.24602	0.3
57.03414	0.5
67.27694	0.4
68.65614	0.3
71.01344	1.5
71.24194	1.0
72.06694	0.3
77.68848	0.4
80.15025	0.3
94.04019	0.5
106.04034	0.7
109.05130	1.1
118.59595	0.4
119.03547	1.4
123.06682	0.8
125.04549	0.5
127.06179	0.7
133.05072	1.8
135.03021	0.4
135.05392	0.5
136.06183	100.0
136.17107	0.4
137.04593	1.3
137.06535	1.6
138.07729	0.6
148.06133	0.9
150.07773	1.9
150.97034	0.3
151.06158	7.3
152.05673	1.3
154.07280	0.4
164.05667	5.9
166.07262	0.5
168.05183	0.9
168.08809	10.8
178.07239	19.9
179.05698	0.4
180.05199	0.8
190.07156	1.7
218.51921	0.4
252.07341	3.3
254.08762	0.5
258.64081	0.4
266.08994	0.4
282.08389	1.4
300.09402	4.9
300.13040	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	300.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01851	1.9
55.05510	18.2
56.96557	0.9
57.03424	1.6
57.07060	1.5
60.08164	3.1
65.03926	0.8
67.05502	28.3
69.03408	1.1
69.07066	18.4
69.83028	2.5
71.04990	4.1
73.02896	2.1
73.06539	0.6
79.05490	13.6
81.03405	0.6
81.07054	51.8
82.07390	1.0
83.04961	1.8
83.08130	0.8
83.08617	12.3
84.04480	0.7
85.06533	2.9
86.09670	0.8
87.04461	0.6
91.05475	9.4
93.07044	12.4
95.04970	1.1
95.08601	53.7
97.06530	8.4
97.10157	3.0
99.04451	6.3
99.08071	2.5
105.07023	7.4
107.08594	4.3
109.06491	1.5
109.10147	9.4
111.08067	2.2
113.05994	0.9
113.09623	0.8
115.07632	0.7
119.08582	11.7
121.10134	3.4
123.08083	2.4
131.08534	0.6
131.59041	0.5
133.10127	9.2
135.11697	4.4
137.09669	2.4
137.13234	2.9
139.00214	0.5
161.13249	20.6
179.14313	9.9
208.94487	0.5
211.16881	1.6
211.69478	0.5
223.16917	1.2
241.17975	61.6
242.18326	1.2
254.07639	0.4
268.09427	1.1
286.10349	1.3
300.12341	1.1
300.25317	100.0
301.25677	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2895
Annotation	2-Aminooctadec-4-ene-1,3-diol
Peak:m/z	Relative Intensity
50.70356	0.8
55.05508	12.9
56.04779	0.8
56.05035	4.3
57.07066	3.6
60.04525	100.0
64.36122	0.8
65.03945	0.9
67.05170	1.3
67.05505	18.5
69.07076	11.6
70.01492	4.9
70.06576	2.0
71.08627	2.7
79.05493	13.1
81.07059	15.8
82.06585	1.0
83.04960	0.9
83.08627	6.7
84.08125	0.9
85.10179	1.8
86.06052	1.2
91.05452	2.4
93.07044	12.9
95.08602	16.0
96.08112	1.8
97.06518	1.5
97.10159	4.5
100.07610	1.4
107.08596	6.4
109.10157	7.6
111.11720	1.6
114.09180	2.0
121.10144	11.4
123.11670	1.5
123.46786	0.8
135.11711	6.0
149.13239	1.0
221.70393	0.9
244.02332	0.8
247.24164	1.6
264.26788	5.0
282.27911	68.8
283.28119	2.0
300.29001	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.258
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05513	33.9
57.06815	8.3
57.07074	100.0
60.04512	18.4
67.05504	45.7
69.07061	43.7
69.66626	43.1
71.08629	81.7
72.86038	5.7
79.05483	24.1
81.07057	84.1
83.08616	40.9
85.10162	22.1
87.65674	5.6
91.05455	13.2
93.07044	18.8
95.08599	65.3
97.10164	35.6
105.07030	14.6
107.08588	14.6
109.10162	32.4
111.08097	9.0
111.11710	18.7
116.98569	6.6
119.08577	9.2
121.10116	12.0
123.08058	5.7
123.11712	13.2
125.34872	5.4
133.10132	12.8
135.11551	5.1
137.13197	5.3
141.12737	26.1
147.11691	7.5
151.11180	8.2
155.14304	19.1
173.16841	5.1
175.14769	6.3
179.14381	6.8
217.62993	5.2
217.79070	5.4
235.24289	9.6
244.20093	5.1
245.22614	22.8
253.25327	13.6
263.23602	12.8
281.24493	8.3
282.27847	18.2
299.19968	7.9
299.25735	12.8
312.83008	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	299.258
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05515	66.3
57.07072	77.7
58.26297	11.5
67.05495	67.5
69.07072	95.0
69.19477	11.2
69.37563	79.5
69.37988	26.5
71.08635	82.9
79.05484	23.3
81.07058	100.0
83.08628	86.8
85.06558	14.5
85.10177	12.9
91.05474	38.3
93.07028	42.3
95.08607	96.6
97.10165	43.8
105.07023	29.4
106.84743	10.7
107.08596	16.0
109.10122	40.9
111.11728	19.9
119.08565	30.7
121.10120	22.2
123.11718	23.7
131.63676	10.1
133.10103	28.7
135.11661	12.5
137.13275	13.1
141.12688	16.8
147.11655	33.3
151.00386	10.9
155.14256	12.3
161.13239	12.8
189.16489	10.1
245.22697	33.6
250.15239	12.7
263.23691	16.7
299.14832	17.2
299.20120	19.1
299.27618	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	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05498	3.6
56.96554	2.0
57.07069	1.7
67.05484	3.4
69.03420	2.1
69.07053	3.4
78.52654	0.9
79.05482	5.4
81.03401	1.7
81.07056	5.2
83.04965	2.1
83.08621	4.5
91.05477	27.6
93.07040	7.0
95.04974	1.6
95.08604	8.8
97.06483	1.1
97.10150	1.0
98.97582	3.3
105.07034	19.9
105.53823	1.0
107.08579	8.5
109.06512	3.9
109.10154	1.4
111.08039	0.9
115.05433	2.4
116.06235	7.8
116.98612	4.2
117.06998	3.2
119.04945	6.5
119.08582	17.0
121.06487	1.8
121.10132	6.9
123.08065	2.9
123.11671	1.7
125.09616	2.9
128.06168	1.6
129.07018	10.8
130.07718	1.2
131.08565	43.1
133.06470	2.0
133.10129	5.1
134.99648	4.9
135.08034	1.3
135.11655	1.5
142.07727	2.9
143.08504	5.3
145.06496	1.3
145.10126	3.9
147.08015	2.0
147.11688	1.6
149.09610	5.2
153.00626	1.1
155.08586	2.7
156.09323	2.2
157.10136	6.6
159.08049	100.0
159.11678	3.1
161.02951	1.4
161.09602	2.9
161.13258	1.3
165.06931	0.9
169.10109	2.7
171.11687	5.8
173.09625	1.6
175.11264	1.6
179.08481	1.5
181.10081	1.8
182.10951	1.3
183.11708	3.0
185.09686	1.5
187.11147	1.9
189.12749	4.2
192.09305	1.9
193.10083	2.0
195.08212	1.1
195.11728	1.7
197.13168	4.2
199.11203	5.1
199.14851	1.5
201.12766	1.4
206.10851	2.0
207.11731	2.1
209.13351	1.5
210.10423	1.3
211.11237	1.7
211.14874	1.4
213.12830	1.1
215.14334	1.5
221.13318	1.9
223.14809	2.0
225.12723	4.9
237.16368	1.1
239.14273	2.4
239.17943	2.0
243.13844	2.4
248.15610	0.9
252.96375	1.8
253.19415	1.4
257.18970	2.1
263.17987	4.1
274.97379	1.1
275.97787	3.1
281.18991	21.1
293.98880	2.5
299.05731	0.9
299.16672	1.9
299.20032	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03938	0.9
55.01871	0.9
55.05506	2.9
56.96551	1.4
57.07063	1.2
67.05502	3.6
69.03423	0.8
69.07049	2.1
69.44189	5.4
79.05482	3.7
81.07052	3.9
83.04960	1.6
83.08609	2.4
91.05476	27.4
93.07031	5.3
95.04943	1.5
95.08611	6.1
98.20796	1.3
98.97572	2.0
103.05442	1.4
105.06384	1.2
105.07027	15.3
107.08606	5.4
109.06506	2.4
109.10156	1.7
111.08086	0.9
112.58955	0.5
115.05444	2.3
116.06239	7.4
116.98615	1.8
117.06995	1.4
119.04949	6.9
119.07781	1.1
119.08581	15.2
121.06514	1.3
121.10155	6.0
122.00244	0.6
123.08033	2.3
123.11728	1.1
125.09613	3.4
128.06180	0.9
129.06995	8.2
131.08562	40.0
133.06461	1.0
133.10126	3.3
134.99625	2.6
135.08037	1.6
135.11723	1.0
141.06937	1.2
142.07759	1.1
143.08534	2.5
145.06425	0.8
145.10124	2.8
147.08043	0.9
147.11682	1.0
149.09621	4.0
154.07675	0.6
155.08519	1.8
156.09337	2.4
157.10132	4.9
159.08046	100.0
159.11661	2.2
160.08417	1.3
161.09581	2.4
161.13255	1.1
163.11111	1.0
165.06902	0.6
166.07860	0.7
167.10744	1.0
168.09334	0.7
169.10146	2.8
170.10989	0.7
171.11676	5.7
173.09549	1.0
173.13266	1.2
175.11115	1.2
176.11925	0.8
179.08617	0.8
180.07289	0.7
181.10098	1.1
182.10806	1.2
183.08020	0.7
183.11673	2.6
185.09584	1.7
185.13223	1.1
187.11198	0.8
189.12724	2.4
192.09335	1.0
193.10095	1.2
195.11691	1.6
197.13185	3.7
199.11162	5.4
199.14847	1.5
201.12784	1.0
206.10916	1.4
207.11800	3.0
208.12474	1.3
209.13358	0.8
210.10376	0.7
211.11224	1.4
211.14835	1.5
213.12694	1.5
215.14276	0.7
221.13252	1.1
223.14777	2.6
225.12738	4.7
225.16333	0.7
226.13309	0.6
233.13286	1.2
234.14278	0.6
237.16531	1.0
239.14342	1.5
239.17889	1.3
243.13777	2.2
253.15901	0.7
253.19458	1.1
257.18863	2.8
263.17935	4.1
266.16495	0.8
275.97723	1.4
281.19000	24.6
293.98965	0.9
299.05933	0.7
299.20053	38.0
300.20615	0.7
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	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
53.03932	1.2
55.01860	2.1
55.05303	1.2
55.05512	11.6
56.96552	2.9
57.07057	3.3
65.03923	1.0
67.05499	9.9
69.03432	7.1
69.07072	5.1
71.04984	2.9
71.59922	1.1
79.05490	9.0
81.07052	13.0
83.04973	3.4
83.08619	12.3
85.06533	2.7
91.05481	16.2
93.07040	14.0
95.04971	32.0
95.08607	10.3
97.06535	6.0
98.97569	3.6
103.05466	1.8
105.07033	31.4
107.04923	1.6
107.08591	23.5
109.06525	11.8
109.10154	8.1
111.04499	1.2
111.08106	2.5
113.09631	3.5
115.05444	2.5
116.98589	3.6
117.07024	14.1
119.04913	1.1
119.08581	70.3
121.06479	7.6
121.10126	8.2
122.07310	1.4
123.08024	2.7
125.09618	5.3
128.06218	6.1
129.06993	6.8
130.07787	8.6
131.08562	15.3
133.06468	1.5
133.10143	14.5
134.99686	3.1
135.08060	19.1
135.11685	2.5
135.99934	2.1
137.09641	7.5
141.06996	2.6
142.07785	6.8
143.07484	1.7
143.08560	22.6
144.09360	1.2
145.06494	2.2
145.10123	82.0
147.08054	5.2
147.11690	3.2
149.09679	2.3
151.07500	2.2
153.06963	2.4
154.07741	1.3
155.08548	11.4
155.10547	1.6
156.09326	7.0
157.10126	17.3
158.07263	13.0
158.10901	1.9
159.08052	7.4
159.11702	11.3
161.09610	8.9
161.13319	1.4
163.11153	5.3
165.07033	2.6
166.07866	1.2
167.08542	4.3
168.09341	1.8
169.10117	7.5
170.10930	4.7
171.07996	1.6
171.11687	16.4
172.08786	2.1
173.09621	24.9
173.13283	5.8
175.11198	4.7
175.14835	1.6
179.08513	1.9
180.09344	2.5
181.10266	5.2
182.10910	6.0
183.07993	1.6
183.11676	10.2
184.12430	1.2
185.09622	2.8
185.13206	5.9
187.11185	4.8
187.14873	2.1
189.12761	7.9
191.14308	2.4
192.09280	1.4
193.10115	4.0
194.10796	1.3
195.11671	8.8
196.12546	1.5
197.09605	2.9
197.13249	17.1
199.11220	6.1
199.13089	1.5
199.14841	11.0
201.12756	5.1
203.14261	2.5
207.11606	3.4
208.12453	4.7
209.13211	2.4
210.10352	1.5
211.11256	1.0
211.14784	6.8
213.12708	6.9
213.16402	3.5
215.14322	6.3
216.14993	1.4
217.15862	2.4
219.11803	1.3
219.13855	1.6
221.13301	1.8
223.11343	1.3
223.14816	13.9
225.12729	8.4
229.15807	1.8
233.13229	1.4
239.14317	1.7
239.17993	2.5
241.15891	16.6
243.13757	8.3
248.15646	1.1
252.96440	1.3
253.19507	3.5
255.17534	1.8
257.18988	22.1
263.17914	2.9
269.15414	1.9
271.08627	1.4
271.20541	3.9
275.97797	3.6
281.19022	16.9
294.98181	1.5
295.08545	2.6
299.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03937	3.9
55.05496	11.8
56.96562	4.4
57.07062	6.1
58.99858	3.8
67.05495	23.3
69.03433	2.8
69.07068	14.2
70.12262	12.1
77.00912	17.7
79.05488	20.0
81.03413	4.6
81.07044	31.2
83.08607	9.7
83.49867	2.7
87.86104	2.4
91.05482	35.0
93.07042	28.5
95.01931	15.1
95.04948	10.1
95.08606	46.4
97.06555	3.6
105.07027	50.4
107.08600	18.5
107.67035	2.6
109.06472	6.5
109.10123	16.0
111.04446	7.1
117.07034	13.7
117.98944	3.1
119.08575	100.0
121.06523	3.8
121.10133	11.0
123.08097	3.8
123.11660	4.7
128.06221	3.5
129.06982	9.0
130.07755	3.8
131.01926	14.1
131.08571	23.4
133.10117	45.5
134.99701	4.8
135.11668	6.0
141.06982	3.1
142.07751	5.6
143.08543	13.4
145.10123	37.8
146.12459	2.8
147.11668	20.5
149.02948	8.9
155.08548	11.9
156.09393	4.5
157.10071	13.1
159.08057	6.1
159.11720	23.8
160.12468	8.0
161.09631	3.4
161.13266	24.2
169.10092	10.2
170.10905	2.8
171.11635	16.4
173.09576	3.2
173.13254	11.4
179.10657	3.7
181.10098	3.7
183.11673	14.1
185.09727	3.8
185.13219	7.9
187.11087	4.4
187.14714	5.6
195.11711	6.6
197.13257	16.8
199.11069	3.7
199.14822	7.3
201.12796	3.3
201.16354	9.3
207.11526	2.9
209.13301	4.2
211.14792	9.3
215.11154	4.9
225.12787	3.8
229.12526	3.9
239.14268	5.2
239.17928	5.2
243.13879	6.2
247.11848	3.6
253.19412	19.8
255.21111	3.3
275.97699	3.8
277.11127	13.7
281.19064	19.2
295.11981	5.3
297.16690	3.3
299.09912	3.1
299.20358	71.8
315.18045	9.6
317.19601	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1145
Annotation	Nelarabine
Peak:m/z	Relative Intensity
55.01859	0.9
55.05486	0.8
55.90472	0.6
56.96547	1.1
61.01142	1.7
69.03416	1.5
70.06599	1.9
70.94122	1.5
72.08163	1.0
73.02889	0.6
81.03397	0.7
84.08131	1.1
85.02900	1.4
94.60448	0.6
97.02879	0.7
99.93375	0.7
101.05995	2.1
101.06592	0.7
108.89154	0.6
109.05133	1.4
110.03503	1.0
110.07182	1.6
116.07113	0.8
128.04620	0.7
134.99580	0.8
136.06189	37.0
136.52180	0.7
143.54132	0.6
145.04887	0.6
149.04594	2.8
152.05685	17.1
153.04056	4.6
163.04123	0.7
166.07249	100.0
167.05646	11.3
177.00838	0.8
178.07219	1.5
254.11450	0.7
279.29425	0.8
288.21014	0.7
298.11542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.68190	1.4
52.57660	1.1
53.03931	1.6
55.05511	17.6
56.05032	8.8
56.72080	1.3
56.96545	2.9
57.07059	4.0
57.85781	1.2
58.02938	4.0
60.04528	8.8
67.05501	23.7
68.05011	3.5
68.05837	1.6
69.07068	15.9
70.65785	3.3
71.08598	1.7
71.59301	1.2
72.04498	2.4
79.05499	15.5
80.05008	2.7
81.07050	20.3
82.06574	9.1
82.07386	2.1
83.04950	1.9
83.08608	8.7
84.08132	2.1
86.06056	3.2
91.05489	7.6
93.07032	11.4
94.06563	4.6
95.04949	2.2
95.07320	1.6
95.08604	16.6
96.08141	1.7
97.06492	1.9
97.10154	5.6
98.97596	11.6
100.07609	2.4
105.07001	5.8
107.08565	5.4
107.78574	1.4
109.10133	6.7
116.98610	13.2
119.08551	4.7
121.10147	7.8
122.09665	1.8
123.11696	2.1
133.10138	4.1
134.99661	13.0
135.11671	2.5
136.06151	2.6
137.13216	1.5
147.11600	1.3
153.00677	4.4
232.96487	2.0
245.22578	1.4
250.25301	8.1
254.71844	1.2
262.22809	1.5
262.25327	5.4
274.97458	15.3
280.26337	100.0
292.98602	15.5
297.99194	2.2
298.27441	5.8
298.30734	1.7
299.01309	1.2
316.00037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Auraptene
Peak:m/z	Relative Intensity
54.12507	0.6
54.17835	0.6
55.05505	1.5
57.03420	0.7
57.07059	1.8
65.03947	0.6
67.05495	3.1
69.07061	1.9
71.60229	0.7
79.05490	3.0
81.07053	11.8
83.08621	0.8
86.33628	0.6
91.05479	9.3
93.07063	1.4
95.04958	0.9
95.08600	7.1
97.10143	0.8
103.05437	0.6
105.07015	1.1
107.04952	15.8
107.08606	0.9
109.10142	1.4
117.07020	1.8
119.04942	10.3
119.08563	1.8
133.06502	0.8
133.10127	0.7
137.13260	3.7
143.08563	0.8
157.10187	0.8
159.04399	2.4
162.24565	0.6
163.03899	100.0
164.04189	1.2
173.06012	0.7
189.05499	3.5
201.05463	2.5
215.07019	3.6
230.11940	0.6
234.13788	0.6
299.16360	5.2
299.20102	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05299	2.1
55.05514	23.0
56.96575	2.1
57.07056	5.3
65.03932	4.2
67.05502	73.0
69.07065	21.5
70.66979	5.1
71.04996	23.4
79.05485	17.0
81.07055	100.0
81.38980	1.9
83.04949	3.5
83.08620	17.8
85.06545	25.8
91.05476	8.2
93.07041	23.6
95.08604	95.7
97.06526	6.8
97.10146	8.6
98.97566	5.3
99.08077	8.3
105.07021	11.8
107.08592	13.9
107.79655	1.6
109.06575	2.3
109.10162	38.0
111.08093	3.4
112.95667	1.9
116.98605	6.6
117.07101	1.9
119.08590	8.5
121.10138	19.6
123.08078	2.1
123.11722	15.7
125.09599	3.0
131.08580	3.5
133.10141	6.8
134.99673	5.0
135.11696	9.6
137.09592	3.8
137.13229	8.8
145.10086	3.4
147.11682	7.9
149.13248	5.1
149.56783	2.0
159.11728	2.8
161.13319	10.5
163.11191	1.9
163.14809	3.6
165.12782	5.0
170.93767	2.0
173.13220	1.9
179.14314	5.8
187.14899	2.7
209.15327	3.0
223.16931	5.2
233.88191	2.0
261.22070	9.8
274.97501	7.0
279.23178	18.2
292.98621	8.1
297.24216	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	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.30063	6.5
55.05500	25.6
56.96558	8.3
57.03440	8.3
57.07082	40.9
67.05497	67.2
69.07063	39.1
71.04984	6.3
71.08629	76.8
76.28648	6.0
79.05479	27.1
81.07058	97.7
83.08606	29.2
85.06530	8.5
85.10183	77.7
91.05454	38.0
93.07030	31.9
95.08601	66.8
95.19724	6.2
97.06538	10.0
97.10167	9.5
98.20724	21.1
99.08086	51.8
105.07032	38.3
107.04953	16.6
107.08583	26.4
109.10146	28.1
113.09651	92.6
116.98586	9.5
119.08578	20.8
121.10118	25.7
122.23354	7.3
123.11646	7.8
131.08592	12.9
133.10121	48.0
134.99619	12.7
135.08047	10.4
135.11664	13.3
137.13211	8.5
139.14098	7.2
141.12737	7.2
145.10124	8.8
147.11722	39.4
149.09599	12.5
149.13235	29.4
151.11110	8.4
155.98451	7.1
159.11691	9.5
163.11101	10.8
163.14745	8.4
165.12770	14.3
167.14287	14.4
173.13194	9.9
180.62340	6.1
181.16010	6.7
243.21071	21.2
261.22134	25.5
274.97482	11.4
279.23181	100.0
292.98630	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01153	4.8
62.04195	0.2
69.03426	0.4
69.83269	1.0
70.76434	0.2
75.02706	2.4
76.71534	0.2
94.04055	0.5
97.02905	1.6
98.21386	0.3
103.02170	0.4
119.03547	0.7
136.06186	100.0
137.04575	0.6
137.06560	0.9
145.03178	1.2
163.04262	0.9
204.06711	0.2
298.09732	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90788	4.0
53.03940	6.2
55.05499	20.5
56.96557	27.0
57.03432	5.4
57.07064	18.5
58.04065	4.0
61.34264	3.8
67.05504	51.5
69.07069	25.5
71.08631	100.0
71.60544	3.7
71.61008	7.7
79.05493	31.7
81.07056	77.4
83.04954	8.7
83.08598	17.8
85.10165	23.6
91.05471	26.0
93.07053	34.9
95.04901	5.8
95.08607	49.1
97.06541	11.7
97.10174	8.7
98.97583	55.6
99.08094	94.6
105.07025	23.6
107.04871	5.6
107.08590	21.0
109.10175	22.5
111.16016	4.6
113.09631	31.8
116.98611	90.6
117.07027	4.9
119.08561	17.4
121.10143	17.6
123.11707	8.8
131.08531	13.9
133.06494	26.5
133.10118	18.5
134.99663	95.3
135.11696	11.5
137.09503	4.7
137.13287	9.6
140.00194	5.5
145.10101	14.0
147.11687	46.9
149.13287	14.7
151.11223	6.4
151.14873	5.5
153.00723	28.5
153.12781	6.8
158.01270	12.3
159.11658	8.5
163.11122	7.5
163.14801	17.3
165.12735	13.3
173.13237	7.2
176.02325	6.1
181.15912	7.2
190.95444	8.3
208.96468	8.2
232.96440	10.0
233.22691	6.5
243.21069	15.9
250.97360	5.8
256.96518	16.9
261.22128	20.5
274.97513	88.1
279.23172	75.3
292.98553	90.2
297.18576	9.6
297.21826	7.0
297.99039	22.5
316.00125	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	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01860	11.0
55.05259	5.4
55.05512	80.6
57.03433	4.2
57.07065	9.6
59.04995	3.4
61.21288	2.6
67.05506	96.3
69.03429	8.0
69.07069	73.9
70.73379	8.4
71.04986	8.2
71.08640	4.6
79.05494	46.4
79.29399	3.1
79.73874	2.6
81.07056	100.0
83.04990	7.1
83.08625	37.5
85.06564	6.9
88.04969	2.9
91.05471	9.7
93.07056	40.5
95.08605	73.2
97.06512	11.1
97.10172	52.2
97.27368	2.7
99.08089	5.2
105.07023	8.9
107.04966	3.4
107.08599	38.8
109.06543	3.0
109.10167	48.4
111.08111	7.1
111.11713	6.7
117.06990	5.1
119.08582	6.6
121.10141	19.6
123.08063	3.1
123.11705	23.0
125.09629	38.5
131.08560	6.9
133.10112	6.2
135.08066	6.3
135.11710	35.2
137.13300	14.4
139.95081	2.9
145.10103	6.1
147.11649	6.1
149.09575	4.1
149.13251	11.0
151.14815	4.1
153.09116	2.8
153.12788	14.5
159.11658	5.4
161.13235	5.3
163.14844	5.0
165.12712	3.5
169.15796	3.3
171.10129	3.8
173.11789	6.9
173.13277	9.1
177.12769	3.5
183.13831	4.7
187.14815	3.5
189.11215	23.3
189.79715	2.9
195.13783	4.2
210.15919	2.9
223.16850	5.2
233.22533	3.8
243.21115	9.4
243.28206	3.2
261.22174	36.0
279.23184	80.3
280.23526	5.3
297.24258	5.4
310.62009	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.01869	4.7
55.05256	2.3
55.05510	26.0
56.96564	3.2
57.03438	4.4
57.07074	5.8
57.75351	1.3
59.05021	1.8
65.03924	2.3
67.05505	76.1
69.03423	2.5
69.07067	43.7
71.04995	11.3
71.08627	1.7
71.11424	3.5
73.06553	1.7
79.05492	32.3
81.07056	97.0
83.04974	5.9
83.08617	16.0
85.06550	6.4
91.05475	10.8
93.07044	40.4
93.18671	1.3
95.04978	2.7
95.08606	81.6
97.06544	8.3
97.10168	12.1
98.97578	5.8
99.08072	2.7
101.13942	1.3
105.07033	9.4
107.04926	1.6
107.08596	24.5
109.06530	3.0
109.09446	2.9
109.10156	41.4
111.08102	2.5
111.11724	2.3
113.09586	1.8
116.98667	6.7
117.07016	3.4
119.08587	10.0
121.10140	25.7
123.08115	3.0
123.11711	19.8
123.57013	1.4
125.09621	2.7
131.08574	7.1
133.10139	10.2
134.99677	5.7
135.08054	2.8
135.11673	17.6
136.06194	2.4
137.09639	3.8
137.13252	8.7
139.11176	4.5
140.50880	1.4
145.10095	7.5
147.11682	9.0
149.13202	6.6
151.11189	3.5
151.14783	2.9
153.09274	1.3
153.12764	3.1
159.11708	4.9
161.13301	7.0
163.11104	1.7
163.14848	3.8
165.12781	4.5
173.11916	2.1
173.13205	6.7
175.14842	3.9
177.12682	2.0
177.16415	3.6
179.14345	5.0
181.12213	2.1
187.14830	3.6
191.14291	1.9
201.16487	2.3
209.15393	2.4
215.16293	1.6
223.16936	3.8
223.20374	1.4
225.10890	1.4
233.22726	2.3
234.90359	1.4
243.21109	10.5
261.22177	32.7
265.08612	1.5
274.97549	7.3
279.23181	100.0
280.23505	1.9
292.98544	6.7
297.11099	3.0
297.24335	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	297.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.05261	6.5
55.05510	100.0
56.96570	18.8
57.03419	3.7
57.07067	10.5
67.05506	16.7
69.07066	15.5
70.06564	6.4
70.74555	8.2
70.74889	4.9
71.04997	4.1
71.08614	4.0
79.05467	9.7
79.67393	3.1
79.98815	3.3
81.07061	30.8
83.08131	6.9
83.08617	93.0
83.09111	5.8
85.06528	9.4
85.10180	10.3
91.05470	15.1
93.07018	16.9
95.08606	39.3
97.06510	11.6
97.10148	9.1
98.97588	35.1
105.07019	15.9
107.04928	4.2
107.08588	12.3
109.10156	7.9
113.09642	11.5
116.98617	67.5
119.08578	17.6
121.10124	13.2
123.08054	5.4
123.11733	4.8
133.10118	11.8
134.99648	63.6
135.08005	3.5
135.11714	10.4
136.06140	3.5
137.13248	7.9
142.08643	11.7
143.08870	4.6
149.13258	6.2
153.00674	17.5
158.01207	7.7
159.11668	4.0
159.65353	3.3
161.13249	26.4
176.59529	4.2
179.14325	22.4
190.95290	5.2
197.15379	15.5
208.96440	6.1
232.96497	6.7
233.15204	3.5
250.97549	5.3
251.21988	6.9
256.96451	9.8
261.21988	4.3
274.97491	72.0
279.23224	11.2
292.98544	57.3
297.18912	6.4
297.22336	48.2
297.99078	10.7
316.00085	8.0
316.68790	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	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05512	34.9
55.33653	4.2
57.07065	6.6
67.05505	45.1
67.25922	4.0
69.07054	17.0
71.08280	6.7
71.08633	100.0
71.12547	9.5
71.12891	5.0
79.05486	24.6
79.55710	4.7
81.07057	64.4
83.04980	6.5
83.08617	29.9
91.05484	21.2
93.07019	24.8
95.04993	4.6
95.08611	38.2
97.06571	7.9
97.10168	15.2
99.08102	91.0
105.07034	20.9
107.08588	12.6
109.10148	23.7
119.08575	15.3
121.10132	15.9
123.11691	5.5
131.08588	8.8
135.11687	22.5
137.13280	6.5
138.22720	4.3
139.28433	4.2
142.22914	5.0
145.10149	4.6
147.11693	51.1
153.12773	11.6
159.11708	6.7
161.13219	6.6
163.11240	9.3
163.14777	13.0
165.12776	14.3
167.14320	4.5
173.13309	12.2
181.15860	11.5
194.74974	4.3
197.09244	4.6
219.83603	4.5
243.21123	15.8
261.22040	29.2
279.23218	70.6
280.23538	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03939	3.3
55.05508	14.6
56.96563	5.1
57.07068	4.0
67.05503	40.9
69.03394	2.8
69.07066	14.2
69.97368	10.6
79.05502	23.3
81.07058	89.3
83.04977	8.4
83.08606	9.2
91.05483	44.0
92.36630	2.4
93.07041	32.6
95.04977	4.0
95.08604	31.7
97.06488	3.9
98.20823	3.5
98.97588	7.0
105.07028	58.7
107.04977	3.8
107.08594	30.7
109.10160	20.7
115.05488	2.5
116.98615	11.2
117.07024	19.9
119.08582	34.1
121.10140	21.0
123.11687	6.7
128.06216	3.5
129.06999	9.4
131.08566	34.5
132.36867	2.5
133.10129	87.8
134.99628	12.4
135.08061	13.1
135.11728	18.2
136.06183	5.2
137.09601	7.6
143.08551	15.0
144.09344	4.0
145.10109	39.1
147.11696	23.8
149.07814	3.7
149.09625	3.5
149.13251	8.7
151.11093	3.3
153.00732	5.6
155.08556	18.4
157.10121	22.1
159.11697	40.9
161.13239	14.2
163.11154	8.8
163.14763	2.7
169.10139	6.3
171.11713	9.1
172.08839	3.0
173.13278	15.0
175.11111	5.7
175.14914	5.1
176.83253	2.8
177.12733	3.4
183.11682	7.9
185.13266	13.2
187.11124	9.1
187.14822	14.9
189.12703	3.7
189.16460	4.6
195.11662	4.0
197.13269	6.5
199.14825	10.0
201.12770	4.9
201.16415	8.0
209.13274	6.2
211.14835	3.0
213.16373	18.9
215.14374	4.4
215.17874	3.4
223.14793	3.0
225.16431	23.0
227.17897	3.7
227.77345	2.7
231.17522	3.4
241.19710	3.4
269.22537	3.2
274.97559	8.5
279.20941	18.9
292.98529	13.6
297.18945	4.3
297.22110	100.0
297.25751	59.5
297.64966	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01857	0.6
55.05504	0.3
56.96559	0.6
57.03424	1.0
57.07068	0.6
61.02929	1.4
63.05935	0.3
67.05507	0.7
69.03432	11.8
69.07059	0.5
70.73302	1.0
71.01362	0.4
71.04987	0.9
79.03580	0.3
79.05494	1.4
81.03426	1.8
81.07051	1.2
85.02905	6.7
85.06544	0.5
87.04461	0.3
91.05492	0.8
93.07054	0.8
95.04966	1.1
95.08603	1.1
97.02885	2.7
97.10149	0.3
98.97599	0.7
99.04456	1.0
105.07014	0.6
107.04956	100.0
107.08584	1.0
108.05300	1.7
109.02887	0.9
109.06485	0.4
109.10179	0.8
116.98618	0.9
121.06448	0.3
121.10175	0.8
127.02956	0.4
127.03919	8.6
129.07098	0.3
131.04910	0.4
134.99658	0.8
135.11659	0.7
136.06232	0.5
145.04970	1.0
153.05461	0.7
159.11745	0.3
165.07028	0.4
166.07742	0.3
177.00732	0.7
177.06981	0.4
191.06935	0.5
194.07297	0.5
205.06543	0.7
207.09668	1.8
222.06761	0.6
227.61008	0.4
237.09171	0.9
265.08542	1.6
297.08435	0.4
297.11377	3.1
297.16727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91409	0.5
53.03937	0.8
55.05499	0.7
56.50008	0.5
56.96556	1.7
57.03434	0.7
57.07061	0.6
67.05502	0.7
69.03426	10.2
69.07072	1.3
69.43598	3.1
69.44022	2.1
70.06590	1.0
71.01345	0.7
71.05000	1.2
72.08202	0.7
73.02899	0.5
79.05495	1.3
81.03410	5.4
81.07043	1.2
84.08133	0.7
85.02906	6.8
86.09673	0.8
91.05442	0.8
93.07018	1.1
95.04989	1.6
95.08591	0.8
97.02887	12.6
98.97594	1.3
99.04463	1.3
101.02388	0.6
102.44941	0.6
107.04954	100.0
108.05308	1.2
109.02867	1.5
109.10140	0.7
110.07167	0.8
116.98594	1.6
127.03909	6.3
131.08563	0.6
134.99646	2.1
136.06204	1.0
136.07602	0.9
151.04073	0.7
153.05414	0.6
168.28085	0.6
191.20621	0.6
279.08591	1.0
279.23227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
50.24846	0.9
51.55106	0.9
53.03947	2.6
55.01619	2.3
55.01873	31.7
55.02142	1.6
56.70710	1.0
56.96566	1.8
57.07081	1.4
65.03952	1.2
67.05502	3.1
69.03445	2.6
69.07062	3.0
69.38081	10.9
70.52886	1.1
71.08648	1.2
79.05496	7.3
81.07056	3.6
83.04987	1.6
85.02940	1.4
87.45933	1.0
91.05486	8.9
93.07048	3.3
95.04963	16.5
95.08597	3.2
97.10226	1.1
98.97578	3.1
103.05460	6.5
105.04545	1.2
105.07030	4.1
107.04956	100.0
107.08537	1.4
108.05289	1.9
109.10158	3.0
115.05466	5.6
116.98633	3.0
117.06995	5.1
119.04974	9.5
119.08591	1.6
120.05761	1.3
121.02859	3.5
121.06493	2.4
121.10181	1.8
123.04420	17.1
127.03912	1.4
128.06258	3.0
129.06992	3.7
131.04930	58.5
132.05736	13.2
133.06485	6.3
134.85286	1.4
134.99641	4.9
135.04417	12.7
137.06023	1.1
144.05692	1.3
145.06480	14.6
145.10121	1.5
147.04405	16.8
148.05254	1.5
149.05931	1.2
155.04877	1.6
155.06004	2.0
157.06439	8.0
157.10268	1.3
159.04411	1.7
161.05977	3.6
165.07051	3.8
165.56291	0.9
166.07861	2.1
167.08405	1.9
173.06023	6.4
177.00661	1.0
178.07762	4.0
179.08633	2.5
181.06450	1.7
182.07213	1.7
183.11636	1.1
185.05997	8.7
189.07021	4.0
190.07794	6.9
191.08542	3.0
193.10150	2.3
194.07269	3.7
195.08054	1.6
202.07762	5.7
203.08560	6.6
204.09207	1.3
205.06549	2.0
205.10138	4.8
206.07263	3.7
207.08012	5.8
208.08788	2.3
209.09592	1.6
210.06812	2.3
215.08556	15.6
218.07237	9.0
219.08069	6.8
220.08878	1.1
221.06082	1.2
221.09589	7.5
223.07555	3.9
224.08298	1.9
231.08069	9.9
232.08833	4.2
233.09602	15.7
234.06635	2.6
235.07515	6.1
236.08340	2.8
237.09149	4.9
239.06778	1.2
242.07304	2.3
243.08145	4.2
244.08791	2.9
247.07635	1.9
249.09094	12.6
251.10764	5.0
253.08450	1.1
261.09116	40.9
262.09363	1.5
265.08621	4.6
267.10165	58.0
274.97501	3.9
279.10159	74.3
280.10526	2.2
292.98569	3.8
297.07791	1.5
297.11194	17.0
297.18704	2.3
297.21970	2.2
298.11801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66934	0.2
53.03940	1.1
55.01855	0.6
55.05494	0.5
56.96562	0.3
57.03424	1.3
61.02934	0.5
67.05485	0.3
67.24162	0.2
69.03072	0.5
69.03429	7.9
69.07064	0.4
69.76377	1.6
71.04968	0.5
73.02911	0.3
76.48612	0.2
79.05470	1.3
81.03416	6.2
81.07053	0.7
85.02902	6.7
91.05478	0.4
93.07028	0.4
95.04968	1.2
95.08617	0.2
97.02888	4.0
97.06513	0.5
98.20807	0.3
98.97632	0.3
99.04455	1.7
102.32611	0.3
105.07040	0.7
107.04951	100.0
107.08581	0.6
108.05286	1.1
109.02886	3.0
109.10130	0.7
111.42851	0.2
112.03992	0.2
116.98569	0.3
117.07038	0.3
127.03906	4.7
130.06508	0.3
137.69839	0.2
143.08537	0.4
145.04953	0.4
145.10089	0.4
153.05492	0.5
158.99623	0.3
193.08525	0.2
197.85298	0.2
251.12758	0.3
279.08652	1.0
297.18045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01857	0.4
55.05505	0.4
57.03424	1.0
65.38266	0.3
67.05482	0.5
69.03429	7.1
69.07072	0.4
71.04975	0.6
71.59954	0.4
79.05499	1.3
81.02977	0.4
81.03414	6.2
81.07037	0.6
85.02906	6.9
85.06567	0.3
85.94276	0.3
87.04470	0.4
93.07056	0.5
95.04958	1.2
95.08598	0.7
95.41791	0.3
97.02896	3.2
99.04441	1.8
101.02356	0.3
105.07058	0.3
107.04952	100.0
108.05270	1.7
109.02892	3.3
109.06524	0.9
119.08580	0.4
123.50101	0.3
127.03911	4.5
131.08627	0.4
137.05984	0.3
142.34056	0.3
143.08498	0.3
144.05702	1.0
145.04872	0.4
145.10138	0.4
147.04393	0.3
153.05420	0.8
165.07007	0.4
173.09639	0.4
189.05453	0.4
197.06029	0.4
199.79398	0.3
223.07462	0.4
237.09082	0.5
261.37402	0.3
265.08591	1.2
279.08676	0.9
297.07544	2.0
297.11200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.26024	0.2
55.01860	0.3
55.05505	0.7
56.96558	1.0
57.03424	1.1
57.07064	0.3
61.02928	1.8
67.05491	0.8
69.03431	12.3
69.07067	0.6
69.33859	0.3
69.34196	2.7
71.04993	0.3
79.05495	1.0
81.03410	1.4
81.07040	1.0
83.04997	0.3
84.21289	0.2
85.02905	7.9
91.05463	0.3
93.07038	0.6
93.38814	0.3
95.04949	0.9
95.08603	0.7
97.02888	2.3
98.97581	0.9
99.04468	1.1
102.16054	0.2
105.07006	0.4
107.04953	100.0
108.05280	1.1
109.02876	1.1
109.10152	0.5
116.98615	1.2
119.08598	0.5
127.03913	8.1
133.10127	0.4
134.99675	1.0
145.04977	0.9
145.10188	0.3
149.56883	0.3
149.83560	0.2
151.34109	0.3
153.05443	0.7
171.14406	0.3
191.07063	0.4
274.97537	1.0
279.08783	0.3
292.98529	1.0
297.09946	0.3
297.18585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	37.9
57.07071	22.2
61.33669	12.3
64.97033	12.4
65.05614	13.5
67.05489	61.7
69.07069	93.4
71.08636	27.9
79.05509	24.0
79.48473	13.3
81.07057	100.0
83.08626	54.2
91.05460	24.4
93.07056	35.1
95.08607	78.3
97.10165	40.7
105.07027	33.7
107.08658	16.4
109.10151	53.2
111.11727	24.9
119.08597	17.6
121.10134	28.2
123.11713	30.2
133.10124	41.8
135.06619	14.3
135.11638	17.3
161.13246	25.0
165.16525	15.7
205.24257	13.1
245.22668	52.0
253.12044	15.0
263.23721	55.9
295.13959	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	296.222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.01867	0.7
55.05495	1.8
57.03426	0.6
57.07071	8.1
67.05505	5.0
67.34650	0.6
69.03400	0.9
69.07044	2.0
70.06583	12.0
70.70567	1.6
71.04974	0.6
71.08627	10.7
79.05477	1.7
80.04993	1.0
81.07056	6.9
82.07353	0.5
83.04947	0.7
83.08602	1.5
85.10181	6.2
91.05466	1.3
93.07040	1.1
95.08596	6.2
96.08124	9.8
98.05998	0.8
98.50956	0.5
105.07037	0.8
106.06561	3.9
107.08588	0.7
109.10079	0.8
113.09626	0.8
114.05481	0.6
114.09176	3.3
120.08082	1.4
121.10112	0.7
124.07575	3.4
131.08524	0.7
133.10077	0.9
138.09117	0.8
140.07031	0.5
142.08624	39.1
155.14276	1.0
219.69003	0.5
232.20628	3.0
250.21658	27.6
278.21820	2.0
281.43741	0.6
296.22183	100.0
297.22498	2.2
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)-HOT
Peak:m/z	Relative Intensity
53.03964	3.5
55.01856	7.3
55.05511	47.0
56.96556	7.5
57.03421	7.0
57.07073	6.7
65.03974	3.5
67.05502	100.0
69.07066	29.6
71.04999	3.4
71.08626	4.1
71.20913	5.2
79.05492	41.5
81.07056	85.6
83.04986	5.5
83.08620	61.6
85.06548	3.4
91.05483	27.1
93.07038	46.9
95.04975	10.1
95.08601	47.6
97.06541	6.4
97.10167	4.4
99.08078	10.3
105.07027	27.6
107.04974	4.8
107.08601	24.7
109.06506	6.8
109.10163	19.9
109.10792	3.3
111.08088	18.0
117.07002	7.5
119.08578	23.1
121.06488	7.7
121.10133	32.1
123.08086	6.0
123.11695	13.2
129.07072	4.3
129.09065	2.9
131.08563	6.7
133.10106	17.4
135.08022	3.9
135.11696	13.9
139.07535	2.9
143.08531	6.6
145.10146	9.1
147.11688	15.6
149.13255	13.6
151.11096	3.9
157.08617	3.8
157.10069	5.0
159.11650	7.7
161.13319	14.0
163.11163	7.0
163.14781	3.5
165.12775	4.0
167.08638	2.7
167.10533	3.1
171.11697	7.1
173.13306	4.2
175.09660	18.0
175.14839	7.8
177.12689	2.9
179.14314	6.5
185.13228	7.3
189.09059	2.8
199.79211	3.1
211.14717	2.8
217.19540	4.0
221.15288	3.9
231.21089	7.2
241.19537	11.5
250.52965	3.1
259.20499	19.5
277.21646	57.7
295.17236	4.0
295.20190	6.6
295.22992	8.0
304.59970	3.1
309.93884	2.8
314.64816	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
54.29014	3.6
55.01867	15.5
55.05516	19.1
56.96553	6.8
57.07058	10.8
65.03931	5.3
66.32338	3.8
67.05501	65.4
69.07066	36.2
70.04108	14.1
71.04992	12.2
71.08631	8.2
72.66706	3.4
79.05488	51.2
81.07059	93.8
83.04979	4.1
83.08598	22.8
85.06564	6.2
87.04459	17.0
91.05469	44.4
93.07052	60.6
94.10938	3.7
95.04959	11.3
95.08602	60.0
97.06542	24.2
97.10185	8.7
98.20860	5.6
99.08108	6.6
101.19919	3.8
103.05439	4.7
105.07034	61.9
107.08582	33.8
109.06513	29.6
109.10172	38.0
111.08059	6.5
115.03950	7.6
117.06994	5.5
119.08578	29.2
121.10155	23.5
123.08051	5.4
123.11709	15.3
125.05985	7.3
131.08521	10.0
133.06493	29.2
133.10135	28.5
134.07275	13.8
135.08046	45.9
135.11685	16.5
137.05988	15.4
137.09654	5.3
139.07536	5.5
139.11163	3.7
143.08575	4.1
145.10114	8.1
147.08090	6.1
147.11674	23.9
149.09634	7.5
149.13307	13.2
151.07506	10.2
157.10173	5.0
159.11655	10.7
161.09648	8.3
161.13295	11.6
163.14803	4.8
165.03716	26.3
165.09148	8.0
167.05273	4.7
167.14317	7.3
171.11685	11.6
173.13214	6.2
175.11169	6.3
175.14819	9.2
189.12724	4.5
190.52165	3.7
193.12332	6.8
196.66125	3.9
207.13768	10.8
217.19547	9.9
221.15358	4.7
231.17490	5.7
231.21227	4.0
241.19496	12.2
242.12247	3.8
258.04358	3.3
259.20508	17.0
262.15939	4.0
273.29938	3.5
277.16248	11.2
277.21649	100.0
278.14380	3.9
295.17175	5.1
295.22565	16.7
312.48846	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03939	1.8
55.01859	3.2
55.05511	100.0
57.07053	1.1
67.05509	6.0
69.03419	1.2
69.07071	3.7
69.94079	3.6
71.04992	9.3
79.05497	4.4
81.07054	6.8
81.21464	0.8
83.04980	1.5
83.08620	56.2
83.67996	0.8
85.06542	2.1
87.04467	1.6
91.05479	2.5
93.07034	5.6
93.99351	0.7
95.04958	1.7
95.08601	5.5
97.06535	17.0
97.10171	5.4
98.20759	0.8
103.12888	0.8
105.06219	0.7
105.07013	3.7
107.08572	3.9
109.10176	3.9
111.08097	1.7
117.07065	1.3
119.08588	2.8
121.10146	1.9
123.08009	0.9
123.11675	0.8
125.09624	3.8
131.08569	1.8
133.10130	2.6
135.07986	0.9
135.11652	1.4
140.42032	0.8
145.10049	1.0
147.11681	1.1
149.13184	1.1
151.11185	1.0
159.11725	1.1
173.13345	1.2
177.12714	1.9
189.11221	1.0
195.13791	9.4
211.13261	0.9
213.14859	28.7
213.16896	1.8
225.14792	1.0
277.21579	2.7
295.17230	0.9
295.19672	0.8
295.22903	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	5.4
54.49350	2.5
55.01873	17.4
55.05258	4.4
55.05510	55.5
56.85043	2.2
57.03429	6.6
57.07079	4.6
59.15168	2.3
60.58216	2.4
65.03934	3.0
65.56857	2.6
67.05502	100.0
69.05400	2.1
69.07063	50.9
71.04411	6.6
71.04991	8.1
79.05491	47.0
81.03415	5.9
81.06573	4.3
81.07053	78.3
83.04979	9.9
83.08624	28.2
85.06539	6.8
91.05480	27.6
93.07040	63.6
95.04939	6.7
95.08604	75.6
97.06528	19.6
97.10158	23.8
99.08088	5.0
99.92793	2.7
105.07038	20.3
107.08595	45.5
108.02821	2.3
109.06504	5.5
109.10158	48.4
109.55411	2.5
111.08067	7.0
111.11728	3.5
117.07019	6.0
119.08591	16.7
121.10139	40.0
123.08090	2.8
123.11729	9.5
125.09624	23.1
131.08569	5.8
133.10141	17.7
135.08040	2.7
135.11673	21.0
137.05974	40.1
137.09604	6.5
137.13187	2.8
137.58682	2.2
138.06317	36.3
139.11198	16.0
145.10150	8.7
147.11690	20.4
148.12115	2.6
149.09592	3.9
149.13249	18.0
151.11221	4.1
157.10179	3.6
159.11661	5.1
161.13310	5.0
163.11191	4.3
163.14836	3.7
165.12785	6.6
165.15930	2.5
171.11649	3.7
173.13289	4.4
175.14828	4.0
181.12248	3.8
185.13257	2.9
189.11229	12.3
189.16347	3.0
203.12767	9.0
221.15352	5.0
231.21024	3.3
235.17041	3.0
241.19598	5.0
256.55975	2.3
259.20508	17.2
277.21609	84.5
295.22739	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
51.47571	2.0
53.03944	5.2
54.23464	2.2
55.01621	3.0
55.01873	42.7
55.05260	3.3
55.05513	43.6
56.96565	6.8
57.03437	4.4
57.07068	9.3
67.05505	70.2
69.03423	7.7
69.07070	37.4
71.04993	5.5
71.08630	25.3
71.37650	3.7
79.05492	37.9
81.03409	13.7
81.06577	3.4
81.07057	69.1
83.04983	17.0
83.08628	25.4
85.06546	7.2
85.10181	12.1
90.46794	2.3
91.05489	40.6
93.07050	49.3
93.41795	2.1
95.04966	19.1
95.08600	36.5
97.06535	26.7
97.10189	11.3
97.10709	2.3
99.08089	19.1
103.05460	2.8
105.07031	32.3
107.04967	5.9
107.08602	29.6
108.45530	2.7
109.06536	8.5
109.10158	19.2
111.08088	42.8
113.09653	11.5
117.07040	6.0
119.08580	19.5
120.08141	5.2
121.06490	3.3
121.10152	20.7
123.08060	9.5
123.11713	7.5
125.09624	4.3
128.06244	2.6
129.07030	5.2
131.08546	9.4
133.06502	3.2
133.10139	26.3
135.08081	3.7
135.11722	16.0
137.06003	3.1
137.09610	8.1
137.13222	2.6
137.48135	2.1
139.11172	8.5
141.37135	2.4
143.08534	4.8
145.10158	11.3
147.11685	27.8
149.09633	9.8
149.13254	12.4
151.07513	2.9
151.11185	24.1
153.12759	3.2
157.10143	9.3
159.11710	4.8
161.01210	2.9
161.13239	10.9
163.07558	5.2
163.11140	12.1
165.12756	31.2
166.77983	2.3
167.14288	3.8
171.08032	2.7
171.11676	7.0
173.13310	4.4
175.11203	5.0
175.14856	6.7
179.14249	12.9
181.77286	2.4
184.89795	2.5
185.13252	5.5
189.11223	3.1
193.15955	2.4
199.14882	3.1
207.13838	4.4
213.75800	2.4
217.19505	2.0
218.70500	2.8
221.05913	3.2
221.15303	4.8
231.21129	3.5
241.19539	8.1
249.22241	6.9
259.20557	13.2
277.21634	100.0
280.07172	2.5
295.06290	4.3
295.11804	10.0
295.14853	2.5
295.22687	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	8.8
54.43229	4.6
55.01867	11.6
55.05513	41.5
57.03429	10.1
57.07069	27.9
66.78000	4.1
67.05165	7.0
67.05505	100.0
69.07066	85.2
69.97800	20.8
70.07414	8.6
71.05000	8.7
71.08640	42.3
73.06493	4.0
79.05488	53.4
79.30183	4.2
81.03411	27.9
81.07058	73.0
83.04976	15.2
83.08613	27.8
85.06542	7.6
91.05477	34.2
93.07045	67.7
95.04962	21.4
95.08607	41.7
97.06519	12.7
97.10175	22.6
99.08085	39.5
105.07038	32.8
107.04976	5.4
107.08591	40.2
109.06516	7.7
109.10146	34.0
109.42534	4.5
111.08066	12.4
115.07542	12.0
117.07020	12.8
119.08559	14.0
120.13563	4.3
121.10136	22.8
123.08119	6.7
123.11726	6.2
125.09608	20.8
131.08536	7.3
133.10123	20.1
135.08049	6.4
135.11656	23.5
137.09627	6.5
138.25960	4.9
145.10127	8.0
147.11711	15.9
149.13310	14.6
151.11206	34.9
153.12775	5.2
161.13255	24.9
163.11176	9.3
165.12808	6.2
165.32687	4.2
171.11607	6.1
173.13190	6.1
179.14319	20.1
184.07375	12.2
189.11229	12.4
198.07626	12.8
199.06958	6.3
207.13817	6.1
225.02850	4.3
234.32404	4.2
241.19435	6.8
253.78854	4.3
259.20566	18.2
277.21591	92.5
295.10245	5.7
295.22601	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	295.2264
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
55.01877	17.7
55.05504	30.1
56.96552	6.2
57.03425	3.1
57.07068	7.8
59.97892	2.9
67.05503	59.4
69.07064	82.9
69.67766	22.8
71.04979	7.1
71.08601	4.4
79.05489	45.8
79.64714	3.0
81.03431	3.2
81.07053	100.0
83.05006	6.9
83.08607	16.2
85.06531	13.6
91.05470	28.9
93.07040	50.5
95.04950	12.0
95.08602	54.9
96.05299	2.7
97.06519	18.1
97.10148	7.3
99.03635	2.9
99.08096	11.3
105.07017	26.0
107.08586	37.0
109.06529	10.0
109.10144	15.7
111.08086	11.1
115.07529	3.9
117.07000	4.0
119.08574	29.9
119.38355	3.2
121.10136	33.0
123.08074	9.8
123.11722	7.7
125.09615	27.4
129.07024	5.3
131.08551	11.3
133.10100	16.5
135.11670	31.9
137.09679	3.0
143.08562	6.1
145.10132	6.8
147.11676	28.7
149.13211	9.7
151.11176	8.0
156.19057	3.6
157.10098	4.2
159.11646	7.4
161.13271	13.2
163.11171	5.8
163.14824	5.2
165.12770	6.4
171.11659	14.1
171.39513	2.9
173.13283	7.4
175.14836	5.0
179.14308	4.8
185.13313	4.6
189.12708	4.3
207.13719	4.1
215.28587	3.4
241.19606	7.2
259.20639	10.9
277.18835	4.2
277.21622	52.6
288.91989	2.9
295.11890	3.3
295.23059	23.0
296.25797	4.6
301.33029	2.9
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(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	18.8
55.01864	9.7
55.02119	2.2
55.05297	2.8
55.05514	32.3
55.27320	2.3
57.07064	7.6
65.03919	2.6
67.05505	66.9
69.03419	3.2
69.07069	52.6
69.45110	21.8
71.04968	3.7
71.08627	5.6
75.54764	2.4
78.82547	2.6
79.05488	36.6
80.65448	2.3
81.03419	92.1
81.07056	64.3
83.04982	18.0
83.08631	12.3
85.06524	3.2
85.10191	3.7
91.05488	24.0
93.07034	42.6
95.04963	50.9
95.08616	21.8
97.06531	2.7
97.10176	6.9
98.21515	5.1
99.08085	4.7
105.07018	29.4
107.04967	2.6
107.08584	28.5
109.06503	12.4
109.10161	21.1
111.08060	4.0
113.09615	2.6
117.07017	5.6
119.08584	14.3
121.10134	14.5
123.08055	4.9
123.11714	11.9
125.09616	10.3
129.06987	4.6
131.08591	6.9
133.06532	3.1
133.10135	18.6
135.08054	7.7
135.11681	10.8
137.13261	3.5
143.08530	2.8
145.10075	3.6
147.11696	18.6
149.13219	7.7
151.09935	3.9
151.11180	61.9
153.09058	4.1
161.13264	10.0
163.14853	7.8
165.12761	13.9
171.10167	3.4
171.11603	5.0
175.11298	3.4
175.14795	7.5
177.12794	2.8
178.53758	2.7
179.14325	4.6
185.13289	2.8
199.26575	2.7
203.14386	3.1
207.13751	4.7
217.19446	3.6
221.15327	3.8
231.21071	12.2
241.19518	7.1
249.22180	6.8
259.20581	10.7
277.21628	100.0
278.21954	3.3
294.72937	2.5
295.22662	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.42214	3.6
55.01868	5.0
55.05512	41.8
57.03418	4.4
57.07070	6.3
67.05502	100.0
69.07067	21.2
70.25973	3.7
71.05013	4.7
71.08630	37.1
79.05495	51.5
81.07055	77.1
83.04985	15.3
83.08618	23.5
85.06547	5.3
91.05473	29.2
93.07039	69.4
93.25985	4.2
95.04945	9.8
95.08611	40.7
97.06544	7.8
97.10167	35.6
98.21472	16.9
99.08084	31.2
102.35999	4.6
105.07021	24.6
107.08592	55.0
109.06562	7.9
109.10149	55.2
111.08078	5.3
119.08565	17.9
121.10137	33.7
123.08111	4.2
123.11705	4.5
125.09629	28.1
131.08543	5.6
133.10123	18.2
135.08101	4.9
135.11696	50.5
137.09557	5.1
142.62805	4.1
145.10114	9.2
147.11679	10.4
149.13243	11.5
151.11160	10.7
161.13232	10.5
163.14806	8.4
171.11662	6.3
179.14313	59.3
189.11220	17.1
235.16997	4.3
259.20554	17.1
277.21631	60.9
295.22922	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	6.9
55.01855	6.2
55.05263	3.1
55.05511	32.6
57.07066	11.3
67.05175	4.0
67.05504	57.1
67.93797	2.3
68.00032	2.4
69.07071	26.8
70.15210	2.3
70.85425	5.7
71.05004	4.5
71.08622	10.4
74.22662	2.3
79.05489	28.3
81.03421	26.9
81.07051	41.5
83.04977	16.8
83.08621	13.9
85.06553	3.0
85.10181	20.1
87.66597	2.3
91.05470	17.8
93.07032	33.7
95.04967	25.2
95.08607	26.1
97.06518	7.0
97.10160	9.3
99.08094	9.2
105.07011	16.3
107.04942	4.2
107.08606	19.1
109.06525	8.7
109.10144	16.2
111.08081	4.1
113.09630	17.7
117.07051	3.1
119.08569	10.7
121.10136	5.5
121.47810	2.4
123.08112	3.2
123.11663	3.4
125.09616	8.2
129.06958	2.5
131.08589	3.3
133.10133	10.6
135.11708	8.1
141.39015	2.4
145.10139	3.2
147.08035	2.6
147.11679	8.8
149.09596	5.0
149.13264	6.7
151.11177	18.1
161.13193	4.8
163.11127	5.0
163.14888	3.0
165.12743	34.8
171.11792	3.4
179.14250	5.5
185.13358	3.3
189.11172	5.0
207.13869	4.3
241.19617	4.6
259.20605	4.8
277.21609	64.9
295.22672	100.0
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	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.01479	4.2
53.03948	4.0
55.01860	7.9
55.05515	26.5
55.87973	4.1
57.03442	46.2
57.07072	10.2
62.94083	3.8
67.05501	69.3
69.07069	25.8
69.65469	36.5
71.05008	5.2
71.51072	4.6
79.05492	49.1
81.07060	100.0
83.08625	20.2
85.06551	8.5
91.05484	28.0
93.07042	52.3
95.04970	8.7
95.08607	90.5
97.06511	7.7
97.10177	10.8
99.08087	12.0
102.92690	4.4
105.07040	28.2
107.08590	37.1
109.10155	34.4
117.07021	4.9
119.08578	21.9
121.10145	43.6
123.08024	9.0
123.11732	9.3
131.08591	13.9
133.10106	23.7
135.11694	26.7
137.09570	5.5
145.10162	17.3
147.11679	14.1
149.09534	5.3
149.13330	10.6
159.11586	9.9
161.13249	7.0
163.11206	6.0
165.12767	6.6
173.13277	10.4
185.13213	5.6
187.14870	25.2
193.10057	4.7
198.01755	4.6
205.15898	13.4
221.19034	8.3
223.16934	9.9
233.88319	5.5
241.19455	10.5
259.20596	13.4
268.28412	4.5
277.21637	61.7
295.22653	12.8
316.29504	5.0
318.94119	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.69122	2.6
53.03936	12.8
53.34825	2.8
55.01857	6.9
55.05510	48.4
57.03418	5.0
57.07076	20.0
65.03905	3.6
67.05504	100.0
69.07066	34.0
71.04988	4.5
71.08651	4.6
79.05490	51.9
81.03416	35.4
81.07051	87.8
82.06380	3.0
83.04991	17.1
83.08615	51.5
85.06547	3.5
88.86401	3.2
91.05479	50.0
93.07040	60.7
93.12100	3.9
95.04967	25.0
95.08609	64.5
97.06517	12.4
97.10182	4.9
98.21522	6.4
105.07035	43.6
107.08603	23.6
109.06482	6.8
109.10148	17.9
111.08067	13.6
113.90147	2.8
117.06988	4.8
118.97633	3.3
119.08572	32.4
121.06496	3.6
121.10145	28.8
123.08025	8.8
123.11701	19.1
124.88535	3.5
131.08507	5.8
133.10115	27.5
135.08025	4.1
135.11664	14.9
137.09595	4.3
137.13243	9.0
145.10051	3.5
147.11670	32.0
149.13223	13.5
155.10756	4.4
157.08667	4.0
157.10103	5.2
159.11687	3.8
161.09665	3.5
161.13232	23.3
165.12753	29.3
167.10657	4.7
171.11682	6.1
175.09631	19.1
175.11064	6.7
175.14819	8.7
179.14264	3.5
185.13208	3.3
195.13759	4.2
200.44658	3.5
207.13573	3.7
217.16051	3.6
221.15384	4.0
231.21074	28.6
241.19487	8.6
259.20578	10.6
277.21631	52.6
282.36609	3.4
295.11798	3.4
295.22726	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	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	8.1
55.01659	5.6
55.01874	51.1
55.05296	4.9
55.05511	51.0
57.07064	13.5
63.27810	4.7
65.87447	4.1
67.05504	72.0
69.03419	7.1
69.07069	36.2
69.93855	9.2
69.94266	16.4
71.08629	34.6
75.35017	4.4
79.05483	45.1
81.03398	25.6
81.07056	81.6
82.90415	4.5
83.04984	26.9
83.08615	29.6
85.10169	16.0
91.05479	44.0
93.07039	57.5
95.04969	28.7
95.08603	44.6
97.06519	18.8
97.10172	15.9
99.08076	25.4
101.99522	4.5
105.07034	39.5
107.04916	4.6
107.08578	34.8
109.06509	9.0
109.10151	23.4
111.07336	6.3
111.08054	44.0
113.09643	15.7
117.07013	10.3
119.08574	17.1
121.10114	21.8
123.11715	6.2
125.09662	5.6
131.08560	10.4
133.10109	26.2
135.11688	16.1
137.09589	6.1
139.11153	12.4
142.36168	4.5
143.08614	5.3
147.11674	24.6
149.09605	9.1
149.13263	21.2
151.11128	32.8
153.12730	5.4
159.11688	4.5
161.13231	11.0
163.11211	8.1
163.14864	6.0
165.12758	39.0
173.13179	4.5
176.06097	4.3
179.14365	13.2
189.12697	5.3
200.88785	4.8
241.19542	8.3
249.22102	8.9
259.20584	17.2
277.21628	100.0
281.59631	4.9
285.16730	5.4
295.22678	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.34733	3.7
53.03944	10.5
53.73114	3.9
55.01865	36.3
55.05510	62.1
57.03431	5.4
57.07069	12.9
67.05502	93.3
69.03424	7.6
69.07066	50.4
69.94362	3.5
70.15544	10.3
70.15945	6.8
71.04992	9.9
71.08633	31.8
79.05489	65.2
81.03413	14.7
81.07053	91.0
83.04976	30.3
83.08611	36.9
85.10175	5.6
91.05476	45.5
93.07043	82.6
95.04964	26.4
95.08607	48.3
97.06518	14.0
97.10207	20.5
99.08109	21.0
105.07025	38.6
107.04971	4.6
107.08588	46.7
109.06533	13.4
109.10143	32.4
111.08093	34.0
113.09635	8.5
117.07030	8.0
119.08589	24.8
121.10154	25.7
123.08043	8.4
123.11674	9.4
125.09641	11.8
128.06219	4.3
129.07048	4.7
131.08554	11.5
133.10114	23.0
135.07956	4.0
135.11713	22.8
139.11180	7.4
145.10182	7.2
147.11693	19.6
149.09647	6.9
149.13231	15.5
151.11139	31.8
153.12692	9.1
156.79927	4.5
157.10184	3.6
159.11707	5.7
161.13220	19.9
163.11182	7.6
163.14809	5.2
165.12796	14.3
171.11626	5.5
175.11186	4.6
175.14856	6.8
179.14287	7.3
185.08475	3.8
185.13281	8.4
189.11212	5.4
193.12234	4.9
195.13875	5.4
207.13815	3.8
221.15329	7.3
241.19542	7.8
249.22055	4.5
249.63380	3.9
249.89706	3.8
259.20563	14.1
277.18762	7.4
277.21606	100.0
277.88364	4.0
283.21921	4.1
295.22638	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.94073	5.1
50.95095	4.6
53.03929	13.2
55.01866	19.2
55.05503	28.9
57.07069	7.6
63.80532	4.7
67.05512	47.3
69.07066	45.2
70.74419	13.9
71.08619	5.2
73.52608	4.9
79.05490	39.5
81.02972	7.1
81.03418	73.7
81.07053	64.7
83.04991	24.5
83.08605	14.6
91.05496	19.4
93.07036	45.0
95.04956	36.4
95.08601	22.0
97.06508	6.0
97.10210	6.8
100.66843	5.3
105.07037	31.4
107.08554	23.8
109.06504	11.8
109.10136	12.3
119.08558	9.4
121.10164	10.8
123.08043	6.1
125.09640	12.5
133.10141	14.7
135.08041	16.0
135.11726	13.8
141.44334	6.3
147.11690	16.1
149.13231	13.3
151.11177	36.6
153.09146	5.5
156.24965	5.4
161.13251	19.0
165.03683	5.3
165.12685	8.7
165.98198	4.5
165.99767	5.1
167.05122	6.3
167.10622	7.0
171.11681	8.4
175.14938	6.2
179.14311	5.3
179.58165	5.4
196.52719	5.1
207.13750	8.3
221.11772	5.1
221.15392	7.4
231.21065	10.1
241.19467	10.4
249.22066	6.9
254.06616	5.7
259.20663	8.0
277.21613	100.0
295.22552	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03951	5.1
55.01878	12.4
55.05510	38.7
56.76136	3.1
57.03427	4.5
57.07072	2.4
67.05505	100.0
67.59261	2.1
69.03429	4.7
69.07070	63.1
70.37644	2.2
71.05002	16.7
71.59734	3.5
76.38653	2.4
79.05492	61.0
81.07057	96.8
83.04996	12.5
83.08620	14.6
83.67622	2.6
85.06574	11.8
89.08161	2.2
91.05483	31.5
93.07045	90.4
95.04988	9.6
95.08603	78.3
96.37057	2.5
97.06518	19.4
97.10163	18.8
99.08102	11.3
105.07027	26.2
107.08597	47.9
109.06532	5.4
109.10163	31.5
111.08098	5.6
111.11752	2.8
117.07071	6.2
119.08595	26.7
121.10145	78.5
123.08074	4.9
123.11716	10.8
125.09617	16.4
129.07013	6.0
131.08569	8.9
133.10149	19.2
134.21506	2.6
135.08109	3.0
135.11694	58.9
137.09630	3.7
139.11174	15.9
141.92424	2.5
143.08630	3.2
145.10152	8.2
147.11693	16.8
149.09636	5.1
149.13229	16.5
151.11200	6.0
157.10155	4.2
159.11705	7.5
161.13293	11.8
163.11209	5.0
163.14835	3.4
165.12781	5.0
171.11690	4.6
179.14313	3.0
181.12314	3.4
183.13959	2.9
185.13235	3.1
187.13264	2.7
189.11208	3.7
189.12773	3.5
195.13788	5.8
203.12836	8.6
213.16318	2.6
231.21112	3.9
235.16966	2.7
241.19589	6.5
259.20569	29.2
259.22556	2.6
261.32498	2.5
277.21609	74.1
278.21625	3.0
295.22656	30.9
314.45291	2.6
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(S)-HOTrE
Peak:m/z	Relative Intensity
51.79519	2.7
53.03956	6.0
53.04211	2.8
55.01871	11.6
55.05505	24.0
55.63938	3.0
57.03437	5.0
57.07067	5.0
65.03934	5.3
67.05502	84.3
69.07065	25.2
69.44896	26.0
71.04993	59.5
71.08632	4.5
73.70045	2.7
79.05493	94.2
81.07059	100.0
81.07520	6.9
83.04973	9.5
83.08638	16.2
85.06525	6.8
91.05479	34.4
93.07043	86.2
93.87254	2.9
95.04967	11.3
95.08606	61.9
97.06535	39.0
97.10177	8.5
99.08105	5.4
105.07027	19.6
107.08587	61.6
109.06563	5.7
109.10143	26.8
111.08096	13.6
117.06978	5.9
119.08600	17.4
121.06519	5.0
121.10136	79.3
123.08053	3.2
123.11675	7.5
125.09657	8.3
131.08533	8.9
133.10138	16.9
135.11688	59.5
139.11113	3.3
145.10103	6.9
147.11674	9.4
149.09674	2.9
149.13263	14.2
151.11220	4.4
159.11693	8.5
161.13246	5.3
163.11142	4.0
165.12733	3.8
173.13289	4.5
177.12714	6.6
179.14323	5.2
181.12241	4.5
195.13789	6.3
241.19507	3.7
248.99307	2.9
259.20615	10.0
277.21622	83.5
278.21976	4.6
295.22571	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03948	9.3
55.01871	13.5
55.05511	49.2
57.03436	4.3
57.07079	7.6
65.03951	3.3
67.05505	99.5
69.03445	4.4
69.07070	28.1
69.51904	3.2
70.84703	4.3
70.85030	7.8
71.04987	5.9
71.08629	39.4
79.05494	56.9
81.03407	27.4
81.07056	61.1
83.04977	20.0
83.08617	25.4
85.06558	5.7
91.05480	33.8
93.07047	66.8
95.04939	22.3
95.08604	43.7
97.06565	6.9
97.10178	32.9
99.08107	34.5
105.07027	29.8
107.04961	7.0
107.08590	44.6
109.06532	5.9
109.10162	34.3
111.08095	6.0
115.95016	3.4
117.07021	11.0
119.08582	14.2
121.00489	6.7
121.10140	20.7
123.08053	4.3
123.11726	7.7
125.09620	26.3
129.07008	4.7
131.08565	7.6
133.10139	16.7
135.08072	4.7
135.11708	25.2
137.09669	3.7
143.08572	6.7
145.10168	8.2
147.11684	12.9
149.13232	15.7
151.11192	40.5
154.06462	3.5
159.11710	3.6
161.13255	17.8
163.11211	12.4
163.14940	6.1
165.12738	5.3
171.11571	4.4
173.13287	4.3
175.14799	3.2
177.00252	7.7
177.12782	3.7
179.14325	13.5
185.13252	7.8
189.11223	14.7
189.12711	4.9
199.14751	3.8
217.02609	10.3
231.21164	7.1
235.16933	4.9
241.19530	9.9
259.20624	11.4
261.05087	4.9
269.17218	3.5
277.21619	100.0
278.22183	3.6
295.22684	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	7.8
55.01856	18.9
55.05508	63.0
56.52431	4.7
56.80416	4.6
56.96554	13.9
57.03438	6.6
57.07057	11.4
67.05507	90.2
69.03409	7.4
69.06773	4.6
69.07067	52.3
69.65479	9.0
69.65883	33.1
71.04993	10.5
71.08619	13.8
73.13713	5.1
79.05493	64.9
81.03384	10.3
81.07062	93.8
83.04975	18.6
83.08606	28.0
85.06570	11.9
85.10180	6.2
85.71439	5.0
91.05494	42.2
93.07050	74.7
95.04963	30.9
95.08609	66.6
97.06516	19.8
97.10179	27.6
98.96605	4.6
99.08120	12.5
105.07014	29.1
107.04967	6.7
107.08594	41.4
109.06523	9.9
109.10145	39.3
111.08067	19.0
117.07034	9.2
119.08596	28.6
121.06467	7.0
121.10172	24.5
123.08041	7.7
123.11729	11.4
125.09615	17.9
127.00483	5.0
129.07005	7.9
131.08556	8.9
133.10155	24.6
135.08022	13.3
135.11699	24.3
139.11162	20.0
145.10123	10.4
147.08031	6.0
147.11674	22.6
149.09607	9.2
149.13223	21.4
151.11153	12.1
153.12700	7.8
161.13237	16.7
163.11240	5.2
165.12749	15.7
171.11650	5.9
173.13237	8.7
175.11142	9.0
175.14885	7.7
189.11223	7.6
201.59209	5.3
231.56677	4.7
241.19600	5.5
249.22211	6.0
254.29929	5.1
259.20557	17.8
277.18835	6.2
277.21643	100.0
295.17078	7.5
295.22803	67.2
296.22177	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	295.1287
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
52.14613	0.4
55.01868	0.9
55.05495	0.5
56.96562	1.9
57.03423	0.5
58.40721	0.4
67.05471	0.7
69.03416	0.9
69.07079	0.9
69.62649	3.2
70.06579	0.5
81.03426	0.8
81.07060	0.9
84.04524	4.0
84.08145	1.1
85.02892	1.3
86.09720	2.1
86.66145	0.4
91.05500	1.2
93.07071	2.2
95.04971	0.8
95.08601	0.8
96.00110	0.5
97.02886	1.0
102.05527	1.9
103.05468	6.2
105.07033	2.2
107.04932	0.6
107.08582	0.5
109.02824	0.4
109.06512	0.7
119.08582	0.7
120.08108	100.0
121.06524	0.5
121.08418	1.1
123.04466	0.5
128.06224	0.6
129.07037	0.6
130.04988	2.6
130.10710	0.4
131.04878	0.5
131.08527	0.6
133.06445	0.5
133.10159	0.6
138.36488	0.4
138.43857	0.5
141.07086	0.4
141.29129	0.5
142.07841	0.4
143.08627	2.3
145.06441	1.0
145.10204	0.5
147.08009	1.0
148.06041	7.9
155.92329	0.4
157.10144	0.9
159.08047	1.8
161.05975	1.0
161.09621	1.2
171.08080	1.1
185.09682	1.5
187.07610	0.6
189.09077	4.6
197.01186	0.5
208.91385	0.5
213.09142	0.9
231.10139	0.9
250.14380	0.5
250.35365	0.5
277.11624	0.5
292.84836	0.4
295.12933	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
55.01870	1.3
55.05497	0.9
56.96571	1.1
57.03428	0.9
61.01153	0.5
62.24456	0.4
65.03939	0.6
67.05489	1.3
69.03435	2.3
69.07074	1.3
70.06567	0.4
71.60313	0.6
72.08150	0.6
74.02430	0.9
79.05489	1.8
81.03408	0.5
81.07064	1.2
83.04991	0.5
84.04491	0.7
84.08148	1.5
85.02901	2.0
86.09708	5.4
87.04458	0.7
91.05479	26.8
93.07033	1.7
95.04962	0.8
95.08601	1.1
97.02901	1.4
97.06522	1.3
98.97588	0.6
103.05435	0.5
103.06428	0.4
105.07032	5.0
107.04961	2.2
107.08599	2.0
109.06509	1.4
109.10105	0.6
115.05459	1.1
116.98631	0.6
117.07020	2.5
118.06541	1.3
119.04946	17.5
119.08587	2.1
120.08076	0.5
121.06517	4.2
127.03937	1.0
128.06221	2.1
129.07007	1.7
129.10202	0.9
131.08562	2.4
132.10205	1.9
133.06500	2.4
133.10149	0.8
134.99677	0.6
135.08076	1.1
136.06219	9.4
136.07576	100.0
137.05811	0.6
141.07004	0.9
142.07802	1.4
143.01648	0.7
143.08595	2.9
144.05748	0.6
145.06499	2.0
145.10150	3.9
147.04427	0.8
147.08052	2.6
147.11755	0.5
148.06165	0.4
149.09602	0.7
152.06168	0.5
154.07729	0.5
155.08554	1.2
157.06537	0.8
157.10127	1.6
158.07271	0.5
159.08044	2.7
161.05956	2.1
161.09587	2.5
161.10753	0.7
163.03955	0.6
163.07533	1.1
167.07146	0.6
167.08492	0.9
169.10063	0.6
170.07236	0.6
171.08028	2.7
172.08760	0.5
173.09628	2.5
175.07552	0.9
175.11201	0.8
178.07341	0.7
183.08009	0.7
185.09671	2.8
188.08334	1.5
189.09082	3.2
191.10686	1.3
193.08597	0.8
201.09076	0.7
203.10680	1.3
213.07419	0.5
213.09117	2.2
231.10207	3.2
241.08543	0.5
249.11304	2.5
249.15950	1.1
250.14182	0.8
259.09781	0.8
277.11041	2.3
278.13974	1.0
295.11893	3.6
295.16602	4.3
296.08148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
53.69641	2.0
55.01866	3.4
55.05508	4.6
56.96558	6.0
57.03433	5.5
59.04985	1.9
65.03929	2.9
67.05498	6.7
69.03432	16.8
69.04568	2.2
69.07056	4.8
69.46596	10.6
69.47026	6.9
70.06582	4.6
71.04980	4.2
72.08139	8.4
73.02915	4.0
74.35347	2.1
79.05485	8.2
81.03410	6.3
81.07048	7.4
82.02885	2.3
83.04992	3.7
83.73524	2.3
84.04501	35.8
84.08141	6.1
85.02898	28.1
85.67381	2.0
86.09690	5.3
87.04461	6.1
87.08062	3.1
89.84553	2.1
91.05479	20.8
93.07045	10.9
95.04961	5.9
95.08605	5.0
97.02898	7.2
98.97576	2.4
99.08110	2.4
101.02390	2.4
103.03986	2.5
103.05466	11.6
105.07039	31.2
105.51005	2.1
107.04943	10.0
107.08589	4.4
109.02908	4.9
109.06509	10.0
109.10141	5.9
113.02385	3.1
114.10313	6.1
115.05416	5.0
115.10619	3.0
116.98608	3.8
117.07030	10.9
119.04925	6.2
119.08582	13.7
120.08100	100.0
121.06509	7.8
123.04415	7.8
123.08074	5.2
125.06022	2.9
127.03921	7.0
128.06209	15.2
129.07034	11.7
129.10226	3.4
130.04967	4.7
130.07819	3.4
131.04916	7.7
131.08569	15.2
132.69073	2.2
133.06467	6.7
133.10121	9.0
135.08057	7.8
136.07576	8.8
137.05997	3.8
137.09615	14.5
141.06985	5.3
141.96967	2.4
142.07823	12.2
143.08557	24.5
144.05637	3.9
145.04951	4.5
145.06523	13.6
145.10178	11.1
146.03136	2.5
147.08037	18.1
149.05983	5.0
150.07768	14.2
155.08527	4.6
157.06458	6.2
157.10095	12.6
158.07265	5.0
159.08060	26.8
161.05977	6.6
161.09612	28.4
163.03917	7.7
163.07559	6.2
164.04214	9.7
165.04315	11.7
165.09111	4.6
166.07375	2.9
166.08667	36.4
167.08563	6.5
169.06415	2.5
170.07266	5.3
171.08018	23.4
172.08809	7.3
173.05946	3.8
173.09622	16.3
175.07509	5.4
175.11194	4.4
182.07266	3.9
185.09636	24.6
186.09151	4.4
187.07536	6.4
188.08273	2.6
189.09114	62.9
191.07045	3.4
195.08040	3.6
201.09142	2.8
203.10680	13.1
205.08592	5.5
207.10149	3.1
213.09087	18.2
231.10077	16.0
236.12898	2.9
241.08487	4.5
249.11159	13.4
259.09805	10.4
277.10754	43.8
278.10464	6.2
278.14154	3.9
295.11758	71.6
295.16602	24.0
295.22894	2.4
297.98114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
52.87919	0.9
55.01862	1.5
55.05504	1.6
57.03431	2.4
67.05509	4.8
69.03438	14.2
70.94761	1.8
73.02914	2.4
79.05491	3.0
79.05934	0.9
80.80514	0.7
81.03413	1.3
81.07039	4.9
81.35641	0.8
83.01323	1.2
83.04965	2.1
85.02903	3.9
88.03979	2.5
91.05489	9.0
93.07031	7.1
94.06557	3.4
95.04955	3.3
95.08588	3.1
97.02884	2.1
97.06516	1.2
101.02359	6.5
103.05451	1.5
105.07043	8.6
106.08230	0.9
107.04957	1.8
107.08587	4.2
109.06498	2.6
109.10138	7.0
113.02374	5.7
115.05460	1.9
116.06066	0.8
116.98631	0.9
117.07001	3.0
119.04930	1.0
119.08592	8.6
120.08017	0.9
121.06488	4.3
121.10138	3.7
122.07271	3.2
123.04441	1.7
123.08066	3.1
125.05984	7.1
128.06195	3.0
129.07024	6.8
130.07745	1.5
131.04927	2.5
131.08527	3.4
133.06506	5.5
133.10124	3.2
134.59430	0.9
134.99660	0.8
135.08051	4.5
136.08804	2.5
137.05948	1.9
137.09622	24.4
141.06964	3.3
142.07805	6.7
143.08549	4.8
145.06445	5.2
145.10115	11.2
146.06049	8.1
146.07166	1.2
147.08054	15.8
147.11725	2.1
149.05966	1.7
149.09634	2.7
151.07515	3.1
153.06891	1.2
154.07744	1.2
155.08502	3.7
157.06444	1.7
157.10114	6.8
158.07228	4.8
159.08066	6.9
159.11691	0.9
160.08818	1.7
161.05971	1.4
161.09616	4.2
163.07556	4.9
163.11192	1.9
165.09134	8.0
167.08586	1.9
169.10112	1.4
170.07269	2.3
171.08018	9.0
172.08835	4.0
173.09634	14.7
174.04021	1.7
174.05528	2.5
175.07512	4.5
175.11118	2.7
183.08060	1.5
185.05843	0.9
185.09593	13.1
187.07437	1.3
187.11124	0.9
189.09154	2.3
190.09848	1.0
191.06874	1.0
191.10635	4.0
195.08063	1.8
197.09555	1.6
201.09157	2.3
203.10625	4.3
213.05614	1.8
213.09084	9.3
231.10138	8.6
241.08588	2.5
249.11214	7.8
259.09702	2.4
277.10709	2.5
295.11761	100.0
296.12167	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1177
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
53.03921	0.6
55.01855	2.1
55.05502	1.5
56.96545	1.3
57.03424	1.7
62.40588	0.6
67.05502	4.6
67.08069	0.6
69.03431	12.4
69.07070	1.6
70.08009	3.2
70.22683	0.6
70.45177	0.6
71.04999	1.5
72.04501	0.7
73.02916	2.1
78.03773	0.9
79.05486	3.9
80.03353	1.8
81.03429	0.9
81.07055	3.0
83.01313	0.9
83.04963	2.1
85.02904	5.5
86.09703	1.3
87.04454	1.1
91.05469	8.1
93.07043	6.7
95.04971	3.5
95.08582	2.3
97.02863	2.2
97.06495	1.3
98.97575	1.1
99.04449	2.2
101.02379	5.0
103.03941	3.7
103.05475	1.0
104.03340	2.4
105.07027	9.1
107.04929	2.8
107.08598	5.0
109.02843	0.8
109.06519	1.2
109.10151	6.6
111.08082	1.2
113.02364	6.2
115.05457	1.5
116.06155	0.7
116.98623	0.7
117.07024	4.6
119.04930	1.7
119.08586	10.3
119.15115	0.8
120.08089	1.7
121.06487	5.1
121.10140	2.9
122.07309	2.2
123.04424	2.3
123.08054	3.0
125.05997	6.0
126.05489	1.8
127.03848	1.0
127.07537	0.6
128.06235	4.0
129.07019	5.4
130.07791	1.8
131.08583	3.8
133.06586	3.6
133.10097	3.4
134.04338	0.7
134.99667	1.2
135.04457	0.7
135.08052	3.1
136.07581	1.4
136.08803	1.7
137.05991	0.8
137.09618	24.9
141.06995	1.3
142.07767	6.3
143.08537	5.2
144.09319	0.8
145.06487	4.5
145.10117	11.3
147.08041	16.7
147.11668	1.5
149.05998	1.4
149.07394	0.8
149.09630	2.4
151.07147	3.1
152.06165	1.1
153.06975	1.6
155.08548	2.3
157.06514	1.8
157.10127	7.4
158.07256	4.8
159.08055	7.2
159.11664	0.9
160.08864	0.8
161.01166	0.9
161.06004	1.3
161.09628	6.3
163.07510	2.4
163.11195	1.7
165.09120	7.4
167.07088	1.1
167.08533	2.6
167.15393	0.7
169.06479	1.0
169.10130	1.8
169.34583	0.7
170.07318	1.9
171.08044	8.9
172.08818	5.3
173.06038	0.8
173.09621	16.8
175.07518	3.8
175.11218	3.2
180.06627	1.4
182.07114	0.8
183.08041	0.6
185.09616	13.0
187.07668	1.0
187.11151	1.6
189.09109	5.2
190.09865	1.6
191.10623	3.7
193.08623	1.0
195.08026	1.4
197.09729	0.9
198.06833	1.3
201.09154	1.8
203.10680	5.2
205.12115	0.8
213.05518	2.2
213.09100	8.3
215.10594	1.1
219.01613	0.8
221.11836	1.0
231.10161	10.5
241.08646	5.5
247.09665	0.7
249.11208	10.1
259.09671	2.8
277.10681	7.1
295.11752	100.0
296.12033	3.2
296.76483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1177
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
52.32301	1.6
53.03953	2.0
55.01872	7.9
55.05501	4.6
56.96553	6.1
64.36082	1.7
67.05505	7.4
69.03425	13.6
70.06606	1.9
71.27833	2.2
73.02914	2.7
79.05504	11.7
81.03431	2.5
81.07050	5.3
82.63423	1.8
83.06763	1.5
84.08124	2.2
85.02890	5.7
86.09703	2.9
87.04472	7.1
90.29617	1.7
91.05477	26.7
93.07029	8.5
94.04093	1.9
95.04964	7.3
95.08620	2.3
97.02886	10.5
97.06532	2.7
98.97584	3.9
99.04450	2.7
103.05462	6.4
105.07031	29.9
107.04964	12.3
107.08593	6.4
109.06528	5.3
111.04452	2.1
111.08073	2.0
115.05439	10.5
116.06274	3.5
116.98615	3.7
117.07024	13.9
119.04951	5.8
119.08579	14.9
121.06516	14.6
121.10187	2.2
123.04412	5.7
123.06641	2.0
125.06021	3.5
128.06227	30.2
129.07051	21.8
130.07837	2.3
131.04935	7.2
131.08580	25.9
133.06488	12.9
133.10112	13.9
135.04352	2.3
135.08066	27.4
137.05995	6.2
141.06976	13.3
142.07774	31.3
143.08559	41.4
144.05708	7.8
145.06494	33.9
145.10086	9.4
145.20976	1.9
146.07234	7.4
147.04396	2.8
147.08049	21.2
149.05980	4.8
149.09579	2.5
150.07761	100.0
152.06213	10.1
153.06992	4.0
155.06030	2.1
155.08528	4.0
157.06500	10.6
157.10123	26.5
158.07268	6.5
159.08051	47.0
159.11671	2.7
160.08824	8.5
161.06010	5.9
161.09628	32.3
163.03877	5.3
163.07532	16.9
165.05562	4.2
165.07030	6.0
165.09163	2.1
167.08575	12.4
169.06531	4.0
169.10112	4.0
170.07274	20.9
171.08051	36.8
172.08937	2.0
173.06006	4.7
173.09671	6.0
174.06769	7.2
175.07483	10.7
175.11189	9.0
177.05583	2.0
183.07982	3.0
185.09621	76.5
186.09993	2.6
187.07555	14.7
187.11148	2.6
188.08339	7.3
189.05453	4.1
189.09106	46.1
195.08078	13.1
198.06769	8.2
199.07587	2.4
201.09116	5.8
203.10680	14.9
207.10254	2.8
213.09105	68.2
215.06989	2.6
229.08714	4.3
231.10146	34.2
237.02711	1.9
241.08598	32.0
247.09689	5.1
249.11221	24.3
259.09674	48.3
277.10721	53.3
285.08954	1.9
295.08893	1.9
295.11960	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	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
53.03944	3.9
55.01865	13.0
55.05500	3.7
56.05024	2.7
57.03421	7.7
66.35437	2.8
67.05502	6.2
69.03429	13.1
69.07059	4.3
70.85069	2.5
70.85452	8.4
72.75400	2.4
73.02903	2.8
77.26558	2.7
79.05489	17.0
81.03429	6.1
81.07051	17.8
83.04950	3.1
85.02895	12.4
86.09689	5.5
87.04454	9.8
90.30797	2.7
91.05475	43.2
93.01197	2.7
93.07049	20.8
95.04966	14.3
95.08602	3.4
97.02884	7.5
98.97587	7.4
103.05484	8.6
105.07032	91.1
107.04958	27.2
107.08597	36.6
107.32957	3.1
109.06522	10.3
109.10091	2.5
113.02341	3.1
115.05441	11.0
116.07077	4.3
116.98618	4.4
117.07014	26.5
119.03555	3.3
119.04954	9.9
119.08575	35.5
120.08077	7.9
121.02890	3.9
121.06512	15.5
121.10110	4.9
123.04455	6.2
123.08061	5.3
128.06207	19.9
129.06996	29.3
130.07745	7.4
131.04886	6.7
131.08563	47.2
132.05652	5.0
133.06490	37.9
133.10120	15.0
134.08115	17.0
134.99669	4.0
135.08038	15.2
135.11658	5.3
136.06180	68.2
136.07541	10.2
141.06973	9.2
142.07780	37.8
143.00111	3.0
143.08572	55.8
144.05701	10.4
145.06479	34.3
145.10115	58.1
146.07228	7.5
146.99666	3.7
147.08052	45.5
147.11679	5.1
149.05942	2.7
149.09575	4.7
152.06180	6.3
153.06995	3.8
155.08594	13.1
157.06522	14.0
157.10106	29.1
158.07283	6.4
159.08051	50.0
161.05978	15.0
161.09622	69.0
162.04102	33.0
163.07539	15.5
163.11179	9.7
165.06946	7.3
165.09142	20.7
167.08592	20.6
169.06444	4.6
170.07297	14.1
171.08025	30.3
172.08812	4.4
173.06020	5.3
173.09619	46.8
175.07553	10.0
175.11191	20.4
183.08066	10.1
185.09621	61.3
187.07532	9.9
189.05518	10.0
189.09109	58.8
191.10657	34.7
193.05058	3.1
195.07999	14.7
198.06740	7.4
201.09077	19.3
203.10666	35.4
213.09064	46.3
219.10164	4.6
221.11679	6.7
229.08667	4.5
231.10144	76.4
235.05931	4.7
241.08606	15.3
247.09575	4.4
249.11234	96.5
259.09711	9.1
265.10733	4.4
267.12375	3.2
277.10672	15.9
280.05493	2.9
295.11755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
55.01873	4.8
55.05500	3.2
56.96562	2.7
57.03432	3.9
61.02924	3.5
65.03938	1.6
67.05495	7.2
69.03411	10.4
69.07058	8.3
69.48721	4.8
69.49144	8.3
70.06583	5.3
71.04979	3.7
72.08145	2.8
73.02917	2.7
79.05489	8.2
81.03428	3.6
81.07044	6.6
83.05016	2.0
83.08625	1.5
84.04505	2.1
84.08157	3.2
85.02417	3.2
85.02905	46.2
86.09711	7.8
87.04471	6.8
87.08102	5.4
91.03951	3.7
91.05475	33.1
91.06011	2.9
93.07044	7.0
95.04963	5.0
95.08604	4.8
97.02885	12.4
99.04446	2.4
103.05455	2.7
105.07027	39.8
107.04961	6.7
107.08588	5.9
109.02903	3.4
109.06487	8.7
112.08563	1.6
115.05445	6.8
116.98607	2.0
117.07010	6.4
119.04941	12.2
119.08567	12.1
120.08102	8.0
121.06516	9.3
123.04402	2.4
123.08071	6.4
127.03916	8.2
128.06210	15.7
129.06999	11.5
129.10272	1.8
131.04944	1.8
131.08583	16.5
132.10237	2.4
133.06456	8.4
133.10132	11.9
135.04393	2.0
135.08046	8.4
136.07576	60.0
137.09662	1.7
141.07005	7.6
142.07761	10.3
143.08554	31.8
144.05725	4.9
145.04968	7.3
145.06461	18.5
145.10104	5.3
146.07274	3.7
147.04362	2.5
147.08055	14.0
147.11713	1.9
149.06006	3.0
150.07797	2.8
151.07541	1.9
155.08583	1.7
157.06532	4.0
157.10120	18.0
159.06758	1.6
159.08043	27.0
160.08754	2.8
161.05978	7.9
161.09610	36.3
161.10909	3.0
163.03880	6.1
163.06287	1.7
163.07500	7.7
165.09087	3.7
167.08548	4.3
169.10156	2.5
170.07307	6.3
171.08040	21.4
173.06000	5.4
173.09641	2.3
175.07550	5.1
175.11180	5.1
185.09625	24.3
187.07509	4.5
188.08282	4.3
189.05466	3.1
189.09102	100.0
191.07016	3.9
195.08057	4.6
198.06706	2.4
201.09122	2.7
203.10677	12.4
205.08607	6.9
207.10179	4.1
213.09093	16.3
222.90263	1.7
231.10172	22.9
233.67639	1.6
241.08650	5.2
249.11221	12.6
259.09708	6.6
277.10782	6.0
286.66211	1.8
295.11722	28.4
295.14990	1.7
295.16754	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	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
55.01854	3.7
55.19997	1.1
56.78220	1.1
58.27537	1.1
58.60241	1.0
67.05503	3.2
69.03424	3.3
69.07066	2.1
71.04994	1.7
71.59397	2.1
77.40102	1.3
79.05505	6.3
81.03404	1.2
81.07055	2.3
83.05003	1.5
85.02904	7.5
87.04475	6.1
87.11887	1.2
91.05476	13.6
93.07047	5.7
95.04988	3.9
95.08598	3.6
97.02917	1.5
100.32811	1.1
103.05469	1.3
105.07026	40.1
107.04950	6.1
107.08605	4.5
109.06537	10.0
115.05445	4.5
116.06229	1.4
117.06991	7.0
119.04961	3.2
119.07780	1.7
119.08570	13.9
121.06512	4.8
123.04476	1.8
123.08064	4.7
128.06224	19.2
129.06989	11.8
131.08557	18.5
132.05728	1.5
133.06493	11.5
133.10126	12.5
135.08044	8.4
137.06017	2.5
141.06996	9.6
142.07771	13.9
143.08554	42.7
144.05690	5.2
145.06490	21.7
145.10133	2.6
146.07251	3.1
147.08049	14.7
147.11731	1.5
149.05989	3.9
151.07564	2.9
152.06244	3.8
153.07016	1.7
155.04933	1.6
155.08545	1.8
157.06511	3.5
157.10136	17.1
158.07234	2.7
159.08054	37.2
160.08807	2.4
161.05998	4.6
161.09608	38.0
162.10063	1.4
163.07584	9.2
165.06967	1.4
165.09084	2.9
167.08589	4.3
169.06467	2.3
170.07256	6.4
171.08026	23.9
173.05936	6.3
173.09674	1.6
174.06712	1.4
175.07545	5.5
175.11198	6.1
179.07123	1.8
179.10667	1.8
181.08595	1.3
183.07999	2.2
185.09607	30.9
187.07486	6.3
188.08347	2.6
189.09106	100.0
190.09442	2.6
191.07008	4.4
195.08011	5.8
198.06750	2.1
201.09050	1.8
203.10628	11.1
205.08594	9.0
207.10193	3.8
213.09100	22.2
231.10164	19.3
241.08537	4.4
249.11240	10.6
259.09662	5.0
277.10855	2.1
295.11758	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	295.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01868	4.4
67.05490	2.0
67.56794	1.0
69.03421	2.7
69.07066	3.1
70.78294	2.0
70.78633	1.2
71.04992	2.8
79.05486	5.1
81.07053	2.0
85.02909	4.9
86.10244	1.0
87.04469	3.6
91.05486	10.9
93.07043	4.8
95.04950	4.0
95.08601	4.3
97.02860	1.6
99.04453	1.3
103.05405	1.2
105.07034	31.1
107.04956	5.8
107.08614	5.2
109.06504	9.7
115.05440	3.2
117.07041	5.8
119.04928	3.5
119.08572	11.1
121.06482	5.0
123.04452	1.6
123.08054	4.3
128.06216	13.3
129.07033	5.8
131.08556	14.3
132.05728	1.5
133.06506	8.6
133.10138	7.6
135.08080	6.0
136.07553	2.3
137.05977	1.5
137.09558	1.7
141.06956	5.4
142.07773	12.2
143.08560	35.0
144.05693	4.0
145.06471	16.2
145.10100	3.1
146.07231	2.2
147.08025	11.7
147.11609	1.1
149.05951	2.2
151.07506	2.0
152.06172	1.8
152.08112	1.0
153.09163	1.4
154.07774	1.8
155.06049	1.1
157.06465	2.2
157.10138	10.1
158.07320	2.8
159.08067	24.8
159.11636	1.5
161.05952	5.9
161.09616	28.7
163.07530	8.5
165.05478	1.7
165.09149	2.3
167.08591	3.5
169.06381	2.0
169.07695	1.9
169.10045	1.3
170.07280	3.9
171.08041	21.9
173.05949	4.5
173.09642	1.9
174.06769	1.4
175.07549	4.8
175.11209	3.6
177.09145	1.2
179.07016	1.3
179.10602	1.2
181.08545	2.4
185.09612	25.9
187.07521	4.7
187.11121	1.4
188.08327	2.4
189.09103	100.0
190.09450	2.5
191.07024	3.2
195.08002	3.0
198.06776	3.2
199.72128	1.2
201.09050	1.8
203.07034	1.1
203.10689	11.0
205.08650	9.4
207.10153	4.2
209.07997	1.2
213.09091	18.2
217.08656	1.4
229.08611	1.5
231.10141	23.3
241.08647	4.3
249.11235	12.0
256.03607	1.1
259.09668	7.2
277.10645	3.6
295.11743	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01863	0.6
55.05497	0.4
56.23890	0.2
57.07079	1.5
60.61977	0.3
65.42162	0.3
66.62875	0.2
67.05485	0.8
69.07055	0.6
69.27428	3.2
69.80465	0.3
71.08627	1.1
74.19788	0.3
79.05483	1.7
80.05785	0.3
81.07057	1.5
82.07365	0.4
82.88992	0.3
91.05467	1.1
93.07043	0.4
94.04175	2.4
94.07387	0.3
95.04958	0.5
95.08592	0.4
97.06531	0.3
105.07042	0.5
107.04958	0.4
107.08574	0.9
108.08907	0.6
109.06515	0.9
119.08588	0.5
121.10181	0.3
122.03643	7.4
123.11720	0.3
134.10461	0.4
137.05969	100.0
138.06305	1.2
141.12741	2.6
158.15381	1.4
170.15396	0.3
189.29483	0.3
202.02658	0.3
276.20325	1.4
294.21469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76766	0.4
55.05508	0.6
56.05035	4.5
56.96561	0.8
57.03429	0.6
59.04998	0.3
60.04518	0.9
63.52349	0.4
67.05492	0.5
69.03426	1.4
70.06585	1.3
71.26496	0.8
72.08152	1.0
73.02914	0.6
74.06081	4.6
76.22567	0.4
79.05505	0.6
81.03386	0.4
81.07055	1.1
83.04966	0.3
84.04506	1.0
84.08147	2.2
85.02893	1.6
86.09711	3.3
87.04462	0.7
88.03982	0.4
89.93587	0.4
91.05475	4.5
93.07038	0.9
94.04069	0.5
95.04961	0.8
95.08617	0.6
97.02900	1.0
98.97586	0.9
102.05559	2.0
103.05466	0.9
104.10742	0.5
105.07038	2.1
107.04953	1.0
107.08591	1.6
109.06557	0.5
110.07153	0.6
111.53905	0.3
115.03945	0.4
116.03352	0.4
116.07095	5.8
116.98621	0.9
117.07043	0.6
119.03556	4.8
119.04906	2.8
119.08590	1.1
120.08115	6.9
121.06535	0.5
121.10130	0.4
122.06046	0.4
123.04422	0.6
128.06224	0.8
129.07024	0.5
129.10240	1.1
131.03725	0.4
131.04919	0.6
131.08583	0.7
133.06540	0.8
134.08130	22.0
134.99654	0.8
136.06189	100.0
136.07558	13.5
137.04599	3.5
137.06584	0.6
141.06990	0.5
142.07790	0.4
143.08565	1.1
145.06474	0.7
145.10150	1.0
146.99675	0.4
147.04425	0.6
147.08058	0.8
148.06033	0.4
150.07784	0.8
153.07019	0.4
155.08539	0.6
157.10190	0.8
158.99698	0.6
159.08060	0.9
161.06032	0.8
161.09642	1.5
162.04117	44.9
163.03969	0.7
163.07564	0.7
165.06995	4.4
167.08574	0.5
173.09636	1.0
175.11307	0.4
177.00784	1.0
177.09079	0.4
185.09634	1.0
188.08327	0.4
189.09134	1.6
191.06967	0.5
191.10707	0.7
193.06441	2.8
205.06432	0.4
205.08183	0.4
211.07571	0.8
213.09230	0.9
214.06734	1.0
214.08627	1.0
219.01784	0.5
221.05997	11.5
221.11812	0.4
231.04500	0.4
231.11389	0.7
239.07047	1.2
241.08667	0.4
249.05490	9.8
249.11221	1.3
250.06076	0.5
267.06525	1.0
277.04999	2.0
277.10779	0.9
295.06036	19.8
295.11353	6.6
295.16602	1.0
296.06311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91401	0.8
51.45614	0.8
54.13975	0.8
55.01890	1.5
55.05513	1.6
55.93534	1.0
56.05038	6.3
56.96566	5.3
57.03428	2.6
58.28968	0.8
61.02912	1.5
62.64037	0.8
67.05505	2.7
69.03436	6.7
69.07059	2.4
70.02933	1.5
70.06591	4.4
71.04994	2.2
71.59093	1.0
72.08165	2.6
72.93780	1.8
73.02921	0.9
78.52649	1.0
79.34781	1.0
81.03416	3.0
81.07054	1.9
83.04934	1.0
83.06100	1.7
84.04501	6.2
84.08144	100.0
85.02917	7.0
86.06065	1.0
86.09708	19.9
87.03221	5.4
88.03988	9.0
90.94817	2.0
91.05478	1.1
95.67316	0.9
96.04527	1.3
97.02893	8.4
98.09703	3.8
98.97592	2.5
101.02359	1.0
101.10770	3.3
102.05570	1.3
110.07156	2.1
112.03980	4.8
113.98661	1.4
116.10767	1.1
116.98653	2.1
119.01847	1.0
120.01483	0.8
120.08104	9.7
127.03925	5.0
128.10703	2.6
129.10245	16.2
130.08646	3.8
131.96143	1.0
131.99673	2.8
132.10199	8.1
132.95865	1.8
134.99690	1.4
143.05785	3.4
144.10197	2.2
144.95857	1.8
146.06001	1.4
146.99638	1.6
147.11267	6.3
149.96094	1.9
149.97215	1.4
150.00742	7.1
150.96896	2.2
156.06612	1.4
161.06917	2.8
162.96915	2.3
164.10735	2.6
166.08688	1.3
168.01796	1.4
174.00644	1.9
174.96948	1.5
177.00653	1.0
186.96912	2.5
190.98671	1.1
191.03905	1.5
192.01791	3.4
210.11351	1.5
212.12894	5.2
215.00523	1.0
230.13881	20.4
234.99010	1.9
248.14973	3.9
257.98126	1.2
258.13364	21.2
275.99265	1.1
276.14420	37.1
277.12079	1.0
277.15427	5.4
294.04523	2.0
294.18176	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05503	0.4
55.32707	0.2
56.96566	0.4
57.07061	0.6
59.86979	0.2
66.04713	0.3
67.05507	1.6
69.07066	0.5
69.51945	1.8
79.05492	1.6
81.07049	2.4
91.05476	0.5
93.07021	0.6
94.04189	2.4
95.08613	0.5
97.06528	0.6
97.10177	0.4
105.07010	0.3
107.08608	0.6
108.08939	0.3
109.06520	0.5
109.10188	0.3
121.10146	0.3
122.03645	6.8
123.11726	1.4
130.90800	0.2
136.42661	0.2
137.05974	100.0
138.06306	1.1
149.09654	0.3
158.15399	1.2
170.04541	0.2
170.15370	1.7
200.07063	0.6
271.12143	0.4
276.20383	0.9
286.00146	0.3
286.70807	0.3
294.14813	0.9
294.21042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14685	0.6
56.96567	42.8
61.41880	0.5
69.40513	2.9
69.40939	2.6
71.95260	5.2
72.96041	2.2
74.97634	1.1
75.82940	0.7
84.96057	0.6
97.96821	0.7
110.97606	0.8
123.01218	1.1
128.98593	1.4
137.02725	1.9
141.02237	1.0
145.01666	0.7
146.99657	1.7
151.04335	0.7
155.03784	2.0
162.87703	0.6
169.05344	1.2
179.07469	0.6
195.06963	1.1
197.08553	1.2
197.38420	0.6
223.10069	2.8
235.09912	2.8
241.11116	24.7
253.11113	50.1
259.12180	51.6
264.12729	2.5
271.12167	100.0
272.12506	1.9
276.12741	3.4
282.13791	4.6
289.13220	5.8
294.13748	17.1
294.16870	1.2
295.14252	0.6
303.25558	0.7
312.14523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	35.9
67.05497	1.3
69.07053	1.3
69.77956	0.5
71.59659	0.8
71.95260	4.2
72.74454	0.5
72.96027	2.1
74.97593	0.8
81.07037	2.1
81.70536	0.5
82.07394	0.7
84.96030	1.1
91.05473	0.6
92.98625	0.6
93.07026	0.8
95.08604	1.2
96.08917	0.9
109.10116	1.2
110.97565	1.3
121.10133	0.6
123.01175	1.0
128.98618	1.3
137.02742	1.8
146.99644	1.3
151.04327	0.7
155.03763	1.9
155.04977	0.5
169.05338	1.5
193.84616	0.6
195.06915	0.6
197.08522	1.1
223.09981	2.8
235.10020	2.6
241.11099	23.3
242.50478	0.5
253.11102	47.4
254.11612	1.0
259.12164	45.7
260.12537	0.8
264.12653	0.8
271.12155	100.0
272.12524	1.4
276.12762	1.0
282.13766	1.8
289.13217	7.7
294.13727	6.6
299.77576	0.5
303.14865	0.6
312.14908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	2.2
56.96563	40.1
58.35857	1.1
69.70715	7.3
71.95255	3.9
72.96052	2.2
73.02251	1.0
74.97614	1.1
79.05478	1.2
80.05799	1.4
81.07078	1.5
88.66715	1.0
91.05472	1.5
92.98657	1.2
97.96841	0.9
105.07054	1.1
108.09000	1.1
109.08472	1.1
128.98569	1.2
137.02734	1.8
151.13924	1.0
155.03793	1.6
169.05371	1.1
197.08403	1.3
223.10097	3.3
235.10104	2.2
241.11101	26.2
253.11093	47.7
259.12173	46.7
264.12747	4.2
271.12155	100.0
272.12503	2.1
276.12802	2.6
282.13684	3.6
289.13126	8.3
294.13730	18.3
294.21341	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	293.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01867	3.1
55.05514	24.9
56.96559	4.4
57.03429	2.6
57.07072	11.1
59.04988	1.8
59.29983	1.0
63.23023	0.9
67.05502	43.2
68.98555	0.9
69.03413	2.9
69.07066	44.5
70.73329	2.1
70.73697	2.0
71.04983	4.2
71.08620	5.2
74.53139	1.0
74.65040	0.9
77.42955	1.0
79.05056	1.7
79.05486	21.1
79.07647	1.1
81.03405	4.1
81.07056	100.0
83.04971	3.8
83.08614	24.7
84.95972	1.1
85.06540	13.7
85.10181	1.9
87.04449	1.1
91.05476	13.4
93.07049	24.0
95.01334	1.4
95.04948	7.3
95.08603	85.4
96.08953	1.2
97.06525	8.4
97.10159	14.2
98.97593	1.4
99.08082	8.6
101.06007	2.8
105.07021	10.1
107.04924	2.4
107.08587	20.9
109.06484	6.3
109.10147	53.7
110.10548	1.3
111.08078	6.7
111.11681	7.4
113.09656	2.7
115.05451	1.5
116.98647	1.2
117.07012	3.1
119.08566	9.1
121.06490	3.0
121.10141	17.2
123.04411	3.7
123.08058	3.2
123.10817	1.3
123.11707	24.9
125.09634	5.1
125.13258	3.1
129.06999	1.8
131.08536	5.2
133.10115	6.3
134.99611	1.6
135.08080	3.1
135.11693	10.3
137.09587	3.8
137.13261	9.9
139.11150	3.7
143.08580	2.2
145.10126	7.0
147.11729	5.2
149.09607	6.0
149.13232	10.0
151.11185	1.8
151.14838	7.1
152.17729	1.0
153.09084	1.7
157.10101	2.0
159.11665	2.8
161.09662	2.6
161.13258	2.1
163.11166	3.1
163.14833	6.3
165.16388	4.0
171.11656	2.9
173.09593	1.4
173.13264	2.3
175.11107	1.3
175.43475	1.3
177.12787	1.7
177.16364	3.9
179.03424	1.8
179.10681	1.6
179.17955	1.4
187.14713	1.2
189.12677	1.3
191.14339	1.1
191.18002	2.6
205.19618	1.6
209.81889	1.1
219.21045	1.7
223.20457	1.2
229.19443	1.7
239.18024	1.9
241.11079	1.0
253.11182	2.7
257.19208	2.6
271.11917	1.7
275.09039	1.5
275.16736	2.1
275.20001	17.2
275.27310	5.9
293.10422	2.0
293.17505	4.0
293.21100	17.6
293.28339	23.1
294.17087	1.5
294.21536	1.3
296.49057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03934	2.9
54.23092	1.6
55.01857	6.6
55.05513	45.8
56.96571	10.2
57.03437	4.0
57.07073	20.8
59.05011	2.9
62.36211	1.6
67.05501	44.8
68.77417	1.9
69.03423	4.1
69.07066	75.5
69.49018	6.8
69.49452	8.3
71.04995	16.9
71.08621	10.9
74.97189	1.7
74.99353	1.8
79.05490	17.7
81.03432	2.2
81.07056	94.6
81.13613	1.8
83.04974	4.2
83.08618	52.2
83.09113	3.1
83.13362	2.0
85.02911	3.7
85.06536	20.5
85.10187	2.9
91.05466	12.5
93.07043	27.1
95.04980	4.4
95.08603	100.0
96.08944	2.1
97.06525	5.7
97.10165	24.1
98.21554	3.6
98.97578	5.2
99.08080	14.0
105.07047	10.2
107.04967	3.3
107.08594	29.0
109.06498	4.5
109.10151	63.6
111.08080	29.9
111.11700	12.8
113.09616	2.9
116.98618	4.0
117.07033	2.9
119.08604	5.5
121.10139	19.9
123.08047	2.4
123.11701	34.4
125.09617	8.0
125.13253	3.9
127.11218	5.5
131.08568	6.3
133.10107	5.5
134.99652	5.2
135.08047	3.0
135.11685	18.7
137.13252	17.6
139.11183	3.8
141.12770	4.9
145.10138	3.9
147.11662	3.1
149.01279	2.6
149.09686	2.5
149.13234	15.7
150.13506	1.8
151.14803	8.7
153.12758	4.7
154.45634	1.6
156.03593	1.9
157.10161	2.5
163.11182	2.2
163.14841	8.0
165.16376	3.8
167.02190	2.3
167.14301	6.4
173.13240	2.2
177.16425	3.4
179.03432	3.2
179.17909	3.2
189.12941	1.8
191.17940	5.2
205.19502	5.1
207.21100	8.9
211.20547	1.7
212.25685	1.7
219.21054	3.7
229.57088	1.7
257.19119	2.9
275.09302	2.6
275.20114	14.1
275.27435	12.9
284.12671	2.5
293.21347	5.1
293.28351	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	1.8
55.05508	22.3
56.96560	9.5
57.03414	1.0
57.07072	8.9
65.03919	0.9
67.05499	31.0
69.03416	2.0
69.07063	37.8
70.73336	2.5
71.04984	2.3
71.08630	4.4
71.95260	1.3
79.05484	11.6
81.07051	100.0
82.07407	1.1
83.04982	1.3
83.08609	19.5
85.06533	11.0
87.04461	1.0
91.05472	5.5
93.07035	15.7
95.04983	2.7
95.08601	77.3
96.08951	0.9
97.06528	2.7
97.10157	12.3
97.62455	0.8
99.08092	7.5
105.07021	5.4
107.04946	1.0
107.08585	13.8
109.06515	2.3
109.10148	45.5
111.08075	2.2
111.11726	5.7
113.09655	3.2
116.98612	1.1
117.07040	1.8
119.08556	4.5
121.06515	0.8
121.10138	10.6
123.08091	1.3
123.11697	21.4
125.09563	1.6
125.13268	2.2
127.11225	0.9
131.08571	2.6
133.10130	3.0
134.99689	0.9
135.08083	1.1
135.11673	8.0
137.09592	1.5
137.13258	9.1
143.14406	0.8
145.10159	2.9
147.11665	2.0
149.09592	0.8
149.13210	6.5
151.14807	6.4
159.11726	2.0
161.13255	1.4
163.14790	5.3
165.16397	3.2
169.93884	0.8
171.11740	0.9
173.13318	1.1
177.09189	0.8
177.16391	2.5
179.03387	0.8
191.17966	1.2
205.19460	1.5
209.19043	1.0
219.17422	0.9
219.21101	1.3
241.11052	5.3
253.11092	9.6
259.12195	10.0
270.12692	1.0
271.12143	19.1
275.09122	2.1
275.16650	1.1
275.20032	5.4
275.27274	3.5
289.13083	1.9
293.10349	1.9
293.13474	1.7
293.21188	2.5
293.28339	20.0
294.13843	1.9
313.37192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03928	1.5
55.01863	4.5
55.05259	1.9
55.05509	27.8
56.94332	1.3
56.96571	7.0
57.03431	1.8
57.07076	15.4
58.50253	1.0
60.67835	1.1
65.03942	1.3
67.05505	45.1
68.91121	1.1
69.03425	3.6
69.07068	51.8
71.04985	3.4
71.08637	6.7
71.60031	2.0
72.08145	1.3
74.97624	1.2
79.05495	23.5
79.05952	1.6
81.03424	2.2
81.07058	100.0
82.07381	2.0
83.04980	3.4
83.08623	26.7
85.02937	1.7
85.06544	15.4
85.10178	2.5
86.09717	1.5
91.05485	13.3
93.07046	28.3
95.04982	5.8
95.08610	92.1
97.06541	5.9
97.10176	17.2
98.97598	1.5
99.08083	10.0
101.06010	1.8
105.07034	10.7
107.04942	2.3
107.08602	25.1
109.06503	4.6
109.10159	65.1
111.04474	1.5
111.08083	4.8
111.11708	9.3
113.09648	4.3
117.06995	3.2
119.08592	8.1
121.06534	2.5
121.10148	16.2
123.04384	1.3
123.08072	3.5
123.11713	29.7
125.09632	4.2
125.13283	3.1
125.83759	1.2
127.11160	1.4
129.06956	1.7
130.88205	1.0
131.08568	4.7
133.06491	1.3
133.10132	6.6
134.99625	1.4
135.08067	1.9
135.11707	19.4
135.17041	1.1
137.09602	2.2
137.13261	14.5
139.11192	3.9
143.07082	2.0
145.10115	5.2
147.11682	4.2
149.09627	2.6
149.13269	12.3
151.11214	1.5
151.14783	6.6
153.12750	1.5
157.10126	2.3
159.11682	2.7
161.08208	1.1
161.09563	1.6
161.13257	2.1
163.03941	2.2
163.11151	2.0
163.14825	7.2
165.16373	3.0
167.14442	1.5
169.10178	1.4
171.11668	1.5
173.13307	2.5
177.16418	3.9
179.03432	5.5
179.17973	2.5
191.02347	1.1
191.17934	2.1
193.12279	1.9
193.19514	1.4
197.13245	1.2
205.19478	1.8
219.21115	3.0
219.23361	1.1
220.95218	1.1
231.06516	1.4
237.02789	1.2
239.17830	1.5
241.11212	1.6
247.24037	1.3
249.25887	1.9
253.11118	4.8
257.19086	3.3
259.12231	3.8
271.12180	10.6
275.09131	3.3
275.20126	10.7
275.27304	6.7
276.09186	1.1
293.10196	5.5
293.17850	2.1
293.21082	8.4
293.28366	26.9
299.51340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.54504	1.3
55.01845	1.6
55.05515	12.4
57.07061	4.9
58.32187	1.4
65.03928	3.2
65.19496	1.3
67.05505	95.4
69.07059	12.8
69.42917	13.9
71.04990	1.7
79.05492	17.8
81.07056	100.0
83.04963	1.9
83.08598	10.1
85.06524	4.0
91.05486	9.5
92.76290	1.4
93.07047	18.7
95.04954	4.1
95.08609	83.7
97.06502	3.7
97.10150	5.9
98.21566	2.4
99.08086	3.2
105.07047	8.1
107.08604	11.8
107.97395	1.2
109.06531	2.6
109.09457	2.3
109.10155	38.2
111.08079	2.7
117.07063	2.0
119.08593	8.1
121.10155	14.5
123.08061	14.3
123.11711	19.8
125.09605	2.0
131.08588	9.2
133.10127	4.3
135.08067	2.3
135.11702	8.6
137.09587	3.9
137.13242	12.7
145.10135	7.1
147.11700	7.7
149.09576	3.4
149.13254	4.6
151.11208	4.0
151.14841	3.5
157.17638	1.3
159.11729	6.8
161.13251	4.8
163.11179	2.9
163.14857	2.8
165.12733	4.5
168.67485	1.4
173.13266	7.2
177.12817	2.1
177.16475	1.6
179.14333	2.7
187.14810	3.4
191.14281	3.5
195.13741	2.1
205.15836	2.0
209.11859	1.5
209.15479	1.5
219.20963	1.7
235.19240	1.7
237.11206	2.2
243.21103	8.0
261.22049	8.3
275.19983	5.4
275.22937	1.2
293.21054	17.8
293.24710	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.9
55.05510	11.2
57.07073	2.6
63.56354	1.0
65.03943	1.9
67.05502	94.5
69.07068	8.6
69.49485	1.0
69.49819	9.2
79.05482	13.9
80.00349	1.0
81.07054	100.0
83.08625	3.8
85.06551	1.1
91.05473	6.0
93.07049	14.1
95.04985	1.4
95.08606	70.0
97.06532	3.0
97.10173	2.8
99.08110	1.2
105.07005	4.7
106.07455	1.2
107.08582	6.9
108.95624	1.0
109.06519	1.4
109.10150	38.7
117.07001	1.8
119.08580	3.3
121.10139	6.5
123.08062	1.3
123.11702	21.8
125.09702	1.3
131.08577	4.1
133.10132	4.2
135.08087	1.4
135.11688	5.1
137.09567	2.1
137.13272	9.1
145.10138	4.0
147.11671	3.2
149.09604	1.7
149.13239	2.9
151.11234	1.5
151.14787	2.0
159.11687	2.3
161.13284	3.0
163.11218	1.8
163.14848	1.7
165.12790	1.4
173.13292	4.5
177.12746	2.4
177.16417	1.7
187.14810	3.6
198.22937	1.1
201.16423	1.4
205.16031	1.3
219.21022	1.9
223.16887	1.2
237.18602	1.1
243.21133	5.9
261.22150	6.3
293.21210	2.7
293.24683	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	1.4
55.05507	10.3
57.07070	1.9
61.28283	1.2
65.03942	3.3
67.05502	100.0
69.07063	11.5
71.05228	2.8
79.05491	20.4
81.07053	98.7
81.37843	1.3
83.05005	1.3
83.08618	7.6
85.06530	3.4
91.04974	1.4
91.05468	7.7
93.07031	15.2
95.04978	1.4
95.08601	86.4
97.06514	2.8
97.10165	3.4
99.08092	2.2
105.07030	5.7
107.08604	11.7
109.06519	1.2
109.10154	32.0
111.08024	1.6
117.07011	2.5
119.08604	3.6
119.65839	1.1
119.89700	1.3
121.10141	10.0
121.24243	1.2
123.08033	1.8
123.11685	14.3
131.08568	7.5
133.10141	3.8
135.11667	7.5
137.09601	2.4
137.13251	8.9
145.10118	5.8
147.11681	3.6
149.09666	2.2
149.13271	3.7
151.11185	2.0
151.14821	4.4
159.11642	7.4
161.13278	3.8
163.11168	3.4
163.14842	2.2
163.94179	1.5
173.13231	6.6
177.12793	2.7
177.16403	2.3
179.14301	1.1
187.14763	3.0
191.14417	1.9
223.16985	2.0
243.21040	8.3
261.22220	6.9
293.24734	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	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.3
55.22884	2.2
57.07063	5.0
58.25092	1.8
61.68992	1.9
65.03918	4.0
67.05505	87.5
68.92681	2.1
69.07069	14.4
74.16042	2.1
79.05483	18.6
81.07055	100.0
82.32323	2.1
83.08620	8.6
85.06518	3.1
91.05461	9.2
93.07050	19.6
95.04969	16.4
95.08607	84.5
96.29454	2.1
97.06517	4.5
97.10226	2.4
99.08093	3.3
105.07009	6.5
107.04934	4.0
107.08572	11.7
109.06548	3.6
109.10159	34.0
111.08085	3.4
112.56823	2.0
117.07019	4.3
119.08556	5.9
121.06474	2.5
121.10120	10.0
123.08020	4.1
123.11684	17.9
131.08568	8.6
133.10104	9.2
135.08084	3.6
135.11679	7.4
137.13246	12.6
145.10109	6.6
147.11697	3.9
149.09615	5.6
149.13258	4.9
151.11168	11.8
151.14781	3.0
159.11676	7.9
161.13283	5.4
163.11171	7.9
163.14861	3.7
165.12605	2.5
173.13202	6.4
177.12708	4.1
187.14827	4.6
243.21065	7.1
261.22125	8.3
275.20126	7.3
293.20990	13.2
293.24704	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	4.1
55.01859	5.3
55.05299	1.5
55.05513	17.3
56.15662	1.4
56.96555	4.6
57.03428	4.3
57.07076	3.2
60.20325	1.2
60.20658	1.4
67.05169	2.2
67.05504	32.0
69.03419	2.7
69.07071	26.2
70.32832	4.4
71.04967	4.6
72.87618	1.7
79.05493	25.2
80.05840	1.5
81.03418	3.1
81.07055	45.1
82.07359	1.4
83.04977	7.4
83.08634	8.8
85.06537	2.8
90.53174	1.2
91.05477	22.5
93.07047	29.9
95.04961	10.7
95.08612	25.9
97.06509	5.5
97.10165	5.4
97.22041	1.4
98.97559	1.7
99.08096	1.3
103.05459	1.3
105.07033	31.4
107.04951	7.8
107.08595	19.1
109.06513	14.3
109.10146	12.5
111.08105	3.2
115.05505	1.2
116.98692	1.5
117.07008	7.8
119.08589	13.1
121.06507	8.4
121.10133	12.4
123.08047	6.4
123.11702	4.2
125.09665	2.3
129.07004	1.9
131.08582	15.0
133.06456	1.7
133.10138	18.5
134.99658	2.0
135.08067	7.1
135.11705	7.7
137.09615	3.4
137.13336	1.4
139.11110	1.4
143.08546	3.4
145.06441	1.5
145.10144	12.9
147.08061	4.6
147.10837	1.1
147.11725	12.2
149.09628	7.0
149.13263	2.8
151.11188	10.0
157.10085	4.9
159.08043	2.7
159.11719	8.8
161.09683	3.1
161.13229	3.1
163.11203	7.7
165.12737	1.7
171.11725	3.4
173.09604	4.2
173.13243	3.9
175.11226	2.3
175.14830	2.2
177.12677	2.9
185.13216	1.6
187.11194	2.3
187.14864	1.4
189.11174	1.6
189.12709	1.8
191.14313	3.0
201.12743	3.3
205.15883	1.7
207.13806	3.1
215.17960	1.8
219.13820	4.5
225.14757	1.7
229.19469	3.2
233.15315	1.6
237.14824	1.7
239.17938	4.7
247.20598	3.5
257.18967	15.1
269.08313	1.4
275.20071	100.0
276.20456	3.5
293.15854	1.3
293.21106	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03959	2.1
55.01628	1.5
55.01874	6.6
55.05512	13.4
56.96563	1.6
57.03436	15.9
57.07069	5.0
65.03981	1.4
67.05163	2.6
67.05508	32.3
69.03421	2.3
69.07069	10.1
70.64857	3.2
70.65230	3.4
71.04995	3.8
71.08632	3.5
79.05499	23.4
81.03430	4.1
81.07060	30.0
83.04987	5.2
83.08620	6.2
85.02849	1.3
85.06562	5.1
91.05482	22.0
93.07052	24.5
94.00211	1.2
95.04976	24.3
95.08607	26.4
97.06535	2.8
97.10180	2.4
99.04523	2.3
99.08093	2.5
105.07032	16.4
107.04947	5.9
107.08600	16.3
109.06525	8.2
109.10167	10.1
111.04465	2.7
111.08105	3.7
117.07020	9.9
119.08597	17.2
121.06435	2.7
121.10185	9.4
123.08092	3.6
123.11669	1.9
125.09628	2.7
129.06992	2.2
131.08577	14.5
133.10144	10.2
134.99651	1.4
135.08069	2.9
135.11707	5.8
137.09619	7.1
139.11261	1.8
143.08577	3.3
145.10120	8.3
147.11681	2.8
148.73654	1.4
149.09628	4.9
151.11200	12.6
153.05502	1.4
155.10693	6.8
159.11719	6.5
161.13269	2.2
163.11166	4.8
165.12833	3.4
173.13307	3.0
177.12738	2.7
181.05061	1.8
185.13251	3.5
201.16376	3.7
203.14374	4.9
219.17445	100.0
220.17760	1.9
221.15385	2.9
223.13333	6.7
228.97864	1.6
229.19539	1.5
237.11197	3.6
239.17928	1.7
247.20576	2.1
257.19061	6.5
275.20096	28.3
275.22824	1.0
287.95895	1.6
293.21152	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01867	12.6
55.05297	4.5
55.05517	52.0
59.09673	3.9
59.98722	4.1
65.81374	4.4
67.05502	35.6
69.07079	9.7
69.55879	36.1
70.96278	4.6
79.05494	77.1
81.07049	23.0
83.04972	11.6
83.08614	17.3
91.05510	23.2
91.05998	4.4
92.87327	4.2
93.07058	29.9
93.07533	4.8
95.04974	10.0
97.06509	9.4
97.10168	29.3
105.07041	23.4
107.04937	35.6
107.08588	53.6
109.10168	12.7
117.07011	10.4
119.08596	17.8
121.10139	20.0
123.11742	5.1
125.09624	36.9
130.01497	4.3
131.08600	9.4
133.10141	14.9
135.08064	10.1
135.11659	4.9
137.09666	4.6
145.10159	7.1
147.11700	9.7
149.09624	86.7
159.11644	10.6
161.13284	6.5
171.10010	3.7
173.11681	4.1
173.13234	5.3
189.11159	23.3
215.17598	4.6
257.18970	17.3
275.20047	100.0
293.21204	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.85928	2.2
53.03941	5.5
55.01866	9.5
55.05510	24.4
57.03428	8.3
57.07056	2.9
59.51299	2.4
63.64817	2.3
65.03925	4.3
67.05173	3.5
67.05505	51.8
69.03437	3.3
69.07064	28.7
71.04587	7.0
71.04971	5.5
79.05495	55.3
81.03407	7.8
81.07058	100.0
83.04978	7.1
83.08617	16.3
84.98225	2.6
85.06524	3.9
91.05477	34.7
93.07047	39.5
95.04967	24.8
95.08598	33.8
97.06525	5.6
97.10151	6.8
105.07027	42.1
107.04948	10.5
107.08591	29.5
109.06506	27.0
109.10146	17.9
111.08099	7.7
112.15105	2.4
116.65771	2.8
117.07007	11.5
118.68179	2.3
119.08570	36.5
121.06526	6.2
121.10123	18.5
123.08096	16.3
123.11696	6.4
124.92251	2.5
125.09618	6.1
131.08533	16.6
133.10139	27.0
135.08022	9.1
135.11658	7.7
137.09615	8.5
139.11172	3.4
143.08545	5.0
145.10165	13.8
146.34622	2.5
147.11664	21.2
149.09636	11.3
149.13249	3.3
151.11201	6.2
155.08612	2.7
157.10074	4.7
159.11691	7.8
161.13274	4.8
163.11198	10.7
163.14758	3.3
165.12775	3.0
171.11647	5.6
173.13251	7.9
175.11089	4.9
177.12808	4.6
187.11172	3.0
197.13115	2.8
201.16309	2.9
219.17548	5.1
229.19336	3.4
239.17929	4.7
247.20567	3.3
257.19034	6.9
275.20059	69.3
293.21146	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.2
55.01872	29.8
55.05266	1.8
55.05513	32.4
57.07076	13.3
58.09223	1.9
67.05505	36.3
68.99762	1.9
69.03413	2.8
69.07073	18.5
69.93020	10.0
71.04990	3.2
71.14355	1.7
74.00255	1.7
77.03911	1.9
79.05490	51.3
81.03416	6.7
81.07057	36.9
83.04980	11.6
83.08619	17.7
85.06537	3.2
91.05470	33.4
93.07046	33.9
95.04967	18.0
95.08608	25.6
97.06531	25.2
97.10167	15.9
105.07023	33.5
107.04958	14.0
107.07858	3.4
107.08588	70.4
109.02876	2.2
109.06524	9.9
109.10139	10.9
111.04433	5.9
117.07024	10.6
119.08571	18.6
120.80377	1.8
121.06522	5.1
121.10148	17.5
123.08067	3.8
123.11707	3.3
125.05977	2.9
125.09627	18.2
129.07001	2.1
131.08554	11.2
133.10124	20.1
135.04478	2.0
135.08072	5.6
135.11699	8.1
137.09612	7.4
143.08522	2.9
145.10098	17.0
147.08162	2.3
147.11668	12.8
149.09612	22.0
151.11200	6.2
153.05464	4.4
159.11707	12.5
161.13274	5.9
163.11137	11.4
163.26175	1.7
165.09116	7.1
165.12694	2.2
169.10103	4.4
171.11697	4.5
173.13269	5.6
177.09181	2.0
177.12738	6.6
178.28833	1.8
181.04985	7.3
181.12184	5.4
183.11728	2.6
187.11168	2.6
189.11183	11.7
191.10675	7.8
195.10146	3.4
209.11737	15.1
211.39078	2.4
223.13354	2.9
229.19511	5.0
237.11208	26.8
239.17986	7.2
247.20586	6.1
257.19040	12.5
275.20056	100.0
293.21097	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.25754	2.4
53.03935	5.1
55.01861	12.1
55.05262	4.0
55.05513	63.4
56.96559	11.1
57.03443	3.2
57.07068	3.2
65.03919	3.4
67.05503	49.0
67.68116	2.7
69.03444	7.0
69.07061	27.9
71.04998	8.6
71.20723	3.9
71.21059	5.1
78.09614	2.5
79.05495	67.6
81.03405	7.8
81.07055	54.9
83.04970	11.5
83.08617	37.3
85.06533	3.8
91.05476	39.4
93.07038	44.3
95.01353	2.7
95.04964	33.0
95.08610	45.4
97.06530	14.1
97.10167	27.9
105.07037	41.9
107.04967	8.0
107.08595	100.0
109.06522	12.3
109.10142	23.9
111.08080	6.6
117.07008	15.1
119.08576	38.6
121.06530	4.5
121.10120	25.1
123.08057	10.1
123.11670	4.8
125.09621	17.4
129.07021	3.3
131.08572	15.4
133.10139	23.9
135.08089	6.4
135.11713	3.6
137.05991	3.9
137.09579	19.4
139.11185	7.8
141.07082	3.1
145.10144	19.8
147.11694	16.9
149.09612	28.4
149.13214	3.0
153.33315	3.3
159.11679	12.9
161.13216	4.2
163.11197	11.0
171.11685	2.6
173.11861	2.7
173.13266	9.1
175.11006	2.6
177.12775	4.0
181.12187	3.0
183.11804	4.3
187.14792	3.9
189.11208	16.7
200.07140	4.7
223.13264	5.7
229.19554	5.7
239.17885	7.0
247.20514	5.2
253.11111	3.9
257.19046	13.9
259.12265	3.5
271.12183	12.6
275.20059	87.2
293.17865	5.9
293.21057	35.2
294.14844	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	7.4
55.01873	15.4
55.05257	2.2
55.05509	28.2
57.03434	4.1
57.07067	3.7
61.97488	1.5
64.09821	1.7
67.05505	43.1
69.06761	2.1
69.07070	21.3
69.31818	20.5
71.04993	3.5
78.50141	1.6
79.05486	44.9
81.03407	8.2
81.07054	71.4
83.04974	7.1
83.08614	16.8
83.72491	1.6
85.06550	2.6
86.36367	1.7
91.05471	31.3
93.07040	35.3
95.04975	15.2
95.08599	26.9
97.06538	16.5
97.10166	5.8
99.08118	2.2
105.07018	35.7
107.04952	10.9
107.08586	33.6
109.06516	19.1
109.10139	13.2
111.08076	6.2
117.07011	9.4
119.08577	26.0
121.06541	8.7
121.10120	14.8
123.08070	7.8
123.11691	3.4
125.09625	6.3
129.07033	2.5
131.08537	15.7
133.10123	24.6
135.08046	6.6
135.11702	11.4
137.09621	6.2
143.08514	2.6
145.10104	16.7
147.08093	1.8
147.11713	18.8
149.09615	18.7
149.13260	3.5
151.11165	8.8
157.10164	3.2
159.11703	10.8
161.13290	3.5
163.11192	10.8
165.09132	3.9
165.12801	3.9
170.43288	2.0
171.11679	2.9
173.13315	4.9
175.11363	2.1
177.12759	3.8
183.11687	3.0
187.11086	2.1
189.11200	3.7
189.12778	2.2
193.12268	2.2
229.19493	4.1
239.17844	8.9
247.20558	8.1
257.18982	14.4
275.20050	100.0
276.20505	2.1
293.21115	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	4.3
55.01873	13.4
55.05509	20.0
57.03445	12.9
59.06074	2.3
59.65966	2.2
63.51663	2.3
67.05226	2.3
67.05511	28.2
67.70158	2.6
69.03419	3.3
69.07063	20.4
69.86334	15.8
70.16416	2.2
79.05063	3.6
79.05492	45.9
81.03411	4.1
81.07054	37.7
83.04948	4.1
83.08617	11.3
85.06532	4.4
91.05483	36.6
93.07047	44.1
95.04978	16.6
95.08617	23.8
95.80138	2.6
97.06547	15.1
97.10165	10.1
98.21451	5.4
99.08049	2.5
105.07033	43.3
107.04935	6.8
107.08590	55.6
109.06526	14.9
109.10146	8.0
111.08089	5.6
113.08854	2.6
117.07017	11.6
119.08589	27.3
121.06501	3.7
121.10132	13.3
123.08053	8.6
125.09629	8.2
129.06979	3.1
131.08562	17.9
133.06483	2.7
133.10138	22.0
135.08054	6.9
135.11699	9.9
137.09598	5.6
143.08586	6.1
145.10173	12.3
147.11658	13.5
149.09608	15.1
157.10104	4.5
159.11740	17.2
161.09586	4.1
161.13272	7.9
163.11205	5.4
165.09131	4.1
169.10101	3.8
173.13245	5.9
177.12726	3.9
183.11649	2.7
185.13232	14.5
189.11221	7.5
201.16373	6.7
203.14305	8.0
219.17404	30.1
221.15366	11.2
227.89832	2.9
229.19376	4.7
233.11694	3.0
239.17982	8.2
247.20630	3.2
257.19022	17.1
275.20065	100.0
293.21014	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	5.2
55.01874	11.4
55.05512	33.6
56.96562	7.6
57.03422	7.2
57.07051	3.6
65.03935	4.1
67.05166	4.0
67.05505	56.8
67.05869	2.8
67.62117	2.1
69.03419	8.3
69.07064	27.3
70.79046	5.9
71.04989	7.4
79.05494	48.1
80.35527	2.2
81.03437	12.5
81.07053	73.6
83.04982	10.2
83.08616	22.5
85.02901	3.6
85.06556	5.2
90.70985	2.5
91.05484	40.1
91.75974	2.5
93.07037	43.7
95.04963	23.6
95.06541	2.0
95.08038	4.6
95.08609	46.1
97.02899	2.4
97.06531	15.3
97.10172	9.5
103.05482	2.8
104.62068	2.1
105.07037	34.8
107.04961	11.3
107.08590	40.0
109.06509	24.5
109.10172	15.3
109.10810	2.3
111.08072	6.5
115.07565	2.3
116.98665	3.3
117.07016	13.8
119.08581	32.0
119.09359	3.1
120.08118	5.9
121.06506	8.8
121.10145	23.9
122.03667	2.8
123.08073	12.5
123.11719	8.5
125.09623	9.5
129.07030	4.1
129.42114	2.7
130.56442	2.2
131.04945	4.8
131.08551	14.1
133.06491	4.1
133.10144	22.1
135.08061	13.6
135.11673	11.5
137.05968	30.4
137.09636	9.0
139.11176	5.1
141.06996	4.5
143.08524	3.1
145.06494	2.7
145.10165	17.0
147.04414	3.2
147.07993	3.2
147.11690	18.6
149.09590	21.7
149.13277	6.8
151.11166	8.1
155.08546	3.7
157.10143	7.1
159.11662	14.9
161.06010	10.4
161.13255	9.6
161.17033	2.5
162.06790	5.5
163.11163	11.5
165.09171	2.5
165.12755	5.7
169.06506	19.2
169.10150	3.5
171.11613	3.7
173.13258	6.6
175.11188	6.4
175.14824	4.7
177.05389	2.3
177.12784	4.4
179.03531	2.4
179.14325	2.7
181.12245	2.4
183.11646	2.8
187.11128	3.6
187.14819	3.4
189.07039	3.3
189.11186	2.9
189.12761	3.3
190.07774	5.8
201.16364	2.7
205.10176	4.7
205.16003	2.8
215.08583	8.8
215.17944	4.2
218.07320	6.6
219.17459	4.8
229.07523	8.5
229.19513	6.4
232.08838	2.4
233.09644	11.2
239.18044	6.7
247.08482	7.6
247.20688	5.8
257.19009	16.1
261.09158	16.1
262.09558	2.8
265.08713	2.3
270.12817	2.7
275.09171	3.6
275.20056	100.0
276.20236	2.9
293.06760	4.6
293.11954	11.9
293.21054	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	293.2117
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.23733	1.4
53.03942	2.2
55.05511	12.9
58.68157	1.2
65.03952	1.8
67.05502	100.0
69.07061	8.1
71.59974	2.0
71.60394	1.9
71.60743	1.4
79.05493	18.3
81.07053	97.3
83.08612	5.1
85.06528	2.3
91.05450	6.5
93.07033	16.0
95.08607	79.8
97.10167	3.4
105.07033	4.2
107.08590	8.7
109.06492	2.4
109.09451	2.5
109.10154	32.5
111.08001	1.3
117.07047	1.6
119.08547	4.8
121.10148	8.3
123.11703	16.4
131.08586	6.7
133.10141	5.3
135.11700	6.1
137.09616	1.7
137.13269	7.0
145.10118	3.7
147.11710	2.8
149.09576	2.4
149.13242	3.4
151.11131	2.1
151.14861	3.6
159.11681	4.3
161.13278	4.5
163.11206	2.0
163.14818	3.5
165.12857	1.7
169.58215	1.2
173.13264	7.1
177.12799	2.2
177.16438	1.6
179.14279	1.3
187.14757	3.2
205.15971	1.3
209.15419	1.3
219.20972	1.6
243.21082	4.4
261.22229	7.0
293.24670	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.88106	1.8
52.26423	2.0
55.05513	13.8
57.07064	3.6
58.50251	1.8
67.05504	29.0
69.06771	2.1
69.07073	23.8
69.90404	10.8
71.04973	2.8
74.20937	2.5
79.05495	15.4
81.07055	26.6
83.04961	5.3
83.08614	5.7
91.05479	18.5
93.07046	20.0
95.04954	7.1
95.08614	19.2
97.06532	4.0
102.66681	2.0
105.07042	26.5
107.04935	7.9
107.08601	14.5
109.06516	10.8
109.10143	7.9
111.08070	2.4
117.07012	5.1
119.08580	15.2
121.06509	9.6
121.10130	10.0
123.08051	4.0
131.08527	13.1
133.10158	14.5
135.08035	6.9
135.11703	7.1
143.08543	2.5
145.06503	2.2
145.10153	10.3
147.08049	3.7
147.11661	10.4
149.09604	6.1
149.13234	2.8
151.11183	6.5
155.08571	2.3
157.10146	4.0
159.11653	6.0
161.09583	3.4
161.13272	2.1
163.11200	4.7
173.09586	3.2
173.13266	4.7
187.11287	2.6
191.14400	3.6
201.12859	2.9
207.13680	3.0
219.13799	5.0
239.17943	3.6
247.20531	3.8
248.98505	1.8
257.19016	16.0
275.20053	100.0
276.20490	3.3
293.21207	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03945	11.9
55.01872	9.0
55.05511	31.7
56.96558	6.4
57.03429	7.3
57.07074	4.6
60.13522	2.5
65.15353	2.4
67.05510	41.7
69.03436	2.9
69.07066	42.3
69.76747	5.8
69.77155	12.5
70.97591	2.7
79.05499	64.5
81.03426	26.7
81.07063	55.0
83.04985	9.8
83.08619	17.4
85.06542	5.1
87.01501	2.8
88.29008	3.4
89.45689	2.4
90.35224	2.5
91.05482	49.7
93.07053	50.3
95.01341	3.3
95.04980	16.4
95.08605	33.2
97.06525	13.5
97.10165	14.0
98.97578	4.3
105.07039	52.7
107.04990	12.8
107.08598	88.3
109.06557	15.2
109.10172	12.5
111.08100	5.1
116.98628	3.6
117.07038	14.6
117.73652	3.0
119.08582	26.5
121.06486	4.1
121.10155	13.2
123.08096	5.7
123.11704	2.6
125.08828	2.6
125.09596	13.3
128.94478	2.6
129.07019	4.9
131.08591	20.8
133.10120	29.0
134.99625	5.2
135.08057	7.0
135.11697	20.9
143.07056	4.8
143.08569	3.9
145.10133	22.1
147.11719	16.9
149.09641	16.5
151.11200	4.2
157.10104	4.8
159.11710	12.6
161.13295	7.6
163.11212	8.2
169.10126	3.3
171.11678	5.8
173.13324	7.7
177.12704	3.5
179.14336	5.8
183.11650	4.7
185.13263	7.7
189.11205	8.1
219.17470	12.0
229.19603	5.0
239.17972	8.4
247.20715	4.6
257.19107	13.7
275.20078	100.0
293.21082	46.7
293.27786	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03948	3.3
55.01870	11.5
55.05510	29.8
56.96560	18.3
57.03431	14.1
57.07074	10.1
67.05503	49.2
69.03439	4.5
69.07063	25.6
69.55351	11.5
69.55777	13.3
71.04987	12.1
75.71668	2.9
79.05490	59.0
81.03432	4.5
81.07051	62.6
83.04996	5.8
83.08630	18.6
85.06541	11.3
87.94554	2.9
91.05483	48.4
93.07040	51.1
95.04957	18.3
95.08609	49.3
97.06528	12.8
97.10162	16.9
98.97594	7.6
99.08092	3.7
105.07025	47.7
107.04958	6.5
107.08597	59.4
109.06525	13.4
109.10152	22.1
111.08058	17.0
116.98621	6.8
117.07030	12.9
119.08561	29.4
121.06513	7.9
121.10126	20.1
123.08066	8.2
123.11717	8.3
125.09647	13.2
129.06966	8.1
131.00160	4.3
131.08563	21.7
133.10143	23.2
133.85524	3.3
134.99690	7.7
135.08049	8.1
135.11710	14.3
137.09650	4.9
143.08589	6.2
145.10117	17.6
147.08078	3.1
147.10638	3.0
147.11639	18.5
148.12033	3.5
149.01192	16.9
149.02299	3.2
149.09653	11.7
149.13277	5.4
151.11157	4.5
153.00824	4.0
153.09207	4.4
157.10143	5.9
159.11691	15.4
161.09627	4.4
161.13274	9.2
163.11185	5.3
167.02304	5.6
170.99756	3.7
171.11710	4.4
173.13251	12.9
175.11223	3.4
177.12756	4.5
183.11707	4.8
185.13246	12.1
187.14853	3.5
189.11272	5.4
201.16479	4.9
203.14359	9.3
205.15904	9.4
219.17462	25.2
221.15318	10.0
239.17955	9.2
257.19046	15.4
268.36594	3.1
271.12119	5.9
275.20050	100.0
293.21255	47.1
293.28336	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	1.5
55.01872	10.8
55.05508	29.1
57.03436	2.0
57.07059	2.1
65.03949	1.2
66.28246	1.0
67.05171	1.6
67.05502	22.2
69.03403	3.0
69.07061	9.2
70.65466	2.0
70.65810	2.5
71.04974	2.4
71.08624	5.8
72.68598	1.2
79.05489	20.6
81.03415	8.1
81.07059	24.3
83.04968	4.7
83.08620	15.6
85.06525	2.7
91.05479	12.8
93.07044	17.7
95.04967	73.9
95.08611	11.5
97.06516	3.4
97.10164	6.8
99.04443	1.5
99.08088	4.3
105.07024	11.5
107.04951	8.8
107.08600	16.8
108.05731	1.4
109.06526	7.8
109.10147	4.6
109.10847	1.1
111.04420	1.6
111.08064	4.2
113.09632	2.0
117.06998	5.3
119.08575	8.0
121.06506	8.2
121.10122	6.7
123.08067	4.0
123.11569	1.0
125.09612	6.4
129.06995	1.5
131.08585	7.2
133.10146	5.1
135.08034	3.9
135.11694	6.4
137.09648	2.2
142.07979	1.0
143.08560	1.5
145.10114	11.8
147.08017	3.0
147.11699	4.7
149.09608	10.7
149.13237	1.2
151.11147	6.2
153.09068	4.9
159.11650	5.6
163.11182	18.4
165.09189	1.5
165.12781	5.9
167.10718	1.3
169.10048	1.3
171.10201	1.2
171.11703	1.3
173.13275	1.5
177.12756	3.7
187.11122	2.3
187.14766	1.2
189.11206	2.7
191.10895	1.0
191.14380	1.1
193.12059	1.2
195.13823	4.1
197.13350	1.2
201.67630	1.2
205.12207	2.6
211.13152	1.4
223.13280	19.0
229.19553	2.2
237.14857	3.1
247.20619	3.3
257.18954	2.0
270.12637	1.2
275.20071	33.0
283.24637	1.2
293.21109	100.0
294.21167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1166
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03942	1.0
55.01871	4.4
55.05491	1.2
56.96538	0.9
60.04506	1.4
61.01148	14.4
61.02902	0.6
67.05486	1.9
69.03432	1.5
69.07078	0.6
69.62035	5.0
70.02940	0.7
70.06584	1.7
70.39114	0.6
71.04969	1.5
71.06110	1.2
72.04140	1.1
72.04515	15.7
72.08141	1.0
73.02916	3.1
77.00612	1.0
78.03789	32.1
78.41405	0.6
79.05519	0.9
81.03419	3.9
81.07043	1.5
81.08893	0.6
83.04975	3.1
84.08125	1.4
85.02901	18.4
86.06049	4.2
86.09682	1.0
90.05531	0.8
90.17261	0.7
91.05475	1.7
93.07027	0.7
95.04966	0.8
95.08595	1.3
97.02866	0.7
97.30342	0.6
98.02389	1.0
98.06003	0.9
98.97610	0.7
99.04450	13.5
101.96410	0.6
102.03765	48.1
103.02153	4.1
103.03939	37.0
104.01676	1.7
105.07051	1.3
107.08598	0.8
109.02874	7.0
112.07582	0.9
114.03755	4.5
114.05503	3.5
115.02164	1.5
115.05051	1.0
115.08694	1.1
116.03482	0.8
116.98558	0.7
118.03199	1.5
120.04790	8.0
120.08064	1.0
123.04452	0.6
126.05514	38.4
127.03912	15.8
131.06387	22.5
132.04779	18.9
134.99596	0.7
141.06616	1.8
145.04919	0.9
147.05891	2.8
149.07436	100.0
152.07042	4.0
154.08641	4.8
156.06541	1.9
158.02704	1.2
159.08052	0.9
163.03937	2.0
174.07614	0.9
175.05365	5.5
180.06558	27.1
186.05827	1.4
187.07556	0.8
191.08516	1.2
198.07655	8.1
216.08702	5.0
222.07945	1.2
231.11676	6.1
233.09537	1.5
257.09634	3.6
275.10645	5.7
293.11658	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	293.1164
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03935	1.0
55.01862	3.4
55.05497	1.2
57.26524	0.6
60.04510	1.2
61.01149	13.5
61.57430	0.6
70.02936	0.8
70.72553	1.4
70.72909	1.3
71.06100	0.7
72.04149	1.0
72.04516	13.2
73.02905	2.4
78.03345	1.3
78.03792	26.4
81.03420	3.2
83.04973	2.3
85.02417	1.2
85.02901	17.0
86.06055	3.4
91.45605	0.6
98.02402	1.5
98.06066	1.2
99.04457	13.0
101.40343	0.6
102.03763	39.8
103.02165	4.4
103.03940	32.5
104.01680	1.8
105.27105	0.7
109.02873	5.6
112.07605	1.2
114.03745	2.6
114.05526	2.2
115.05051	0.9
115.08690	1.0
118.03214	1.3
120.04797	9.6
126.05514	34.7
127.03915	9.7
131.06386	19.5
132.04796	16.0
141.06596	1.3
147.05841	1.6
149.07436	100.0
152.07088	4.3
153.21346	0.6
154.08606	4.6
156.06540	2.1
158.02731	1.2
158.30797	0.7
163.03818	1.4
164.05759	0.8
174.07594	0.8
175.05356	4.9
180.06558	26.2
186.05815	0.9
198.07610	9.4
216.08662	3.9
222.07944	1.7
231.11615	8.4
233.09483	1.4
257.09546	4.6
275.10568	5.8
278.04541	0.7
293.11652	72.7
294.12051	1.1
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
52.81849	2.2
53.03940	4.7
55.01871	15.4
55.05507	29.5
56.96565	35.8
57.03442	10.8
57.07072	4.4
58.12334	1.9
58.74849	2.3
60.66671	2.0
65.03930	4.0
67.05173	3.0
67.05511	54.2
69.03430	4.8
69.07069	27.0
70.07401	2.3
70.33118	7.5
71.04977	5.6
73.02931	3.3
79.05494	52.7
80.05879	2.3
81.03416	10.4
81.07059	100.0
83.04977	9.4
83.08630	19.2
85.06542	6.7
91.05482	40.2
93.07049	40.5
95.04957	21.3
95.08611	40.2
97.02893	6.6
97.06525	11.9
97.10160	10.1
98.21419	2.1
98.97577	8.6
99.08086	2.6
100.99178	2.6
105.07040	40.8
107.04966	8.2
107.08591	38.3
109.06518	27.1
109.10154	25.3
111.08072	6.2
111.11702	3.2
116.98618	11.8
117.07024	11.7
119.08579	28.8
121.06487	6.3
121.10155	17.5
123.08083	13.1
123.11717	6.2
125.09620	7.5
128.98575	2.2
129.07008	4.4
131.00168	7.1
131.08586	19.4
133.10130	26.9
134.99649	6.2
135.08078	7.4
135.11700	10.2
137.09615	8.1
143.08563	4.3
145.10129	16.5
146.99644	3.5
147.03111	4.8
147.08035	3.3
147.11662	13.6
149.01227	20.7
149.09589	13.8
149.13240	8.4
151.11154	8.6
155.08492	3.3
156.03618	8.4
157.10138	4.7
158.99661	2.7
159.11691	9.7
161.13249	5.1
163.03937	2.8
163.09952	2.5
163.11127	11.6
165.09279	2.2
165.12808	4.4
167.02275	10.6
171.11736	3.3
173.13249	4.7
175.11179	3.1
177.00703	5.1
177.12659	4.2
179.03502	3.5
180.07330	2.3
185.13124	2.5
189.11205	4.1
191.14319	2.3
193.12164	3.0
194.20721	2.3
201.16188	2.3
203.02277	3.1
212.10658	6.1
219.17430	8.5
221.11227	3.5
223.13278	5.5
226.37712	2.5
229.19569	3.7
231.09036	2.7
237.08759	6.9
239.17924	7.3
244.09708	5.4
247.20578	5.9
252.09418	9.9
253.11139	32.0
257.19110	11.4
258.64661	2.4
270.08572	2.7
271.12192	55.7
272.44315	2.3
275.09183	3.6
275.20081	79.2
284.12650	2.9
289.13181	6.7
293.10413	5.0
293.13385	8.4
293.21155	36.8
293.28015	4.9
294.13803	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42007	3.3
68.39963	3.5
69.36482	3.9
69.37085	28.6
71.86539	3.2
76.68163	3.2
81.50879	4.1
98.21437	7.5
106.63644	4.5
126.11938	3.8
139.00497	4.1
161.02946	12.6
165.64061	3.9
200.91521	3.5
203.04042	4.6
293.06345	100.0
293.16040	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81586	2.0
69.36845	22.1
69.37182	5.0
71.60226	2.1
72.37685	2.4
85.68822	1.9
87.24104	2.0
98.59741	2.2
128.58841	1.9
293.06335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.97750	1.6
53.03952	2.2
55.01855	3.9
55.05254	2.1
55.05507	27.3
56.96565	3.5
57.03432	3.0
57.07077	11.5
65.03927	2.1
67.05169	2.5
67.05502	38.8
69.03397	4.2
69.07066	54.1
70.44987	6.1
71.04969	4.2
71.08599	2.6
79.05494	28.2
81.03430	3.2
81.07054	98.4
83.04965	2.7
83.08616	22.4
84.04489	3.3
85.02882	2.5
85.04844	2.9
85.06538	21.9
86.03217	1.3
91.05476	20.0
93.06468	3.1
93.07039	52.6
95.04948	6.3
95.08602	100.0
97.02879	2.0
97.06509	5.8
97.10162	16.7
98.97571	3.9
99.08095	12.9
101.06020	1.3
105.07027	24.4
106.76484	1.4
107.04906	1.8
107.08595	59.3
109.06509	4.9
109.10151	70.6
110.10536	1.9
111.04405	2.9
111.08070	16.3
111.11736	11.5
113.09626	4.4
116.98595	3.0
117.07013	3.5
119.08578	17.2
120.08114	1.6
121.06435	2.0
121.09309	2.9
121.10134	44.7
123.08047	4.3
123.11712	49.0
124.11950	1.7
125.09619	9.6
127.11166	1.6
129.05437	2.1
129.07002	3.1
131.08560	6.3
133.10121	15.1
134.99646	2.4
135.08026	2.1
135.11684	34.1
137.13258	17.9
138.09059	1.6
139.11172	4.1
143.08546	3.4
145.10103	6.3
147.08002	2.8
147.11673	13.0
149.09573	1.7
149.13251	45.7
151.14807	5.4
153.12749	6.4
154.05016	1.8
159.11650	3.7
161.13315	9.2
163.14827	26.4
165.16402	3.1
167.14340	4.1
169.10168	2.0
171.11607	2.9
173.13306	2.0
175.14804	5.0
177.16383	16.7
181.15855	3.6
189.16354	6.1
191.14345	1.9
191.17917	10.1
195.17426	3.1
203.17918	5.2
205.19493	5.5
207.17552	1.7
209.19008	3.2
211.05984	2.0
217.19424	7.5
219.21223	1.6
221.18967	5.0
227.08131	1.5
228.10223	3.5
233.15228	1.9
235.20544	5.3
237.02873	2.3
245.12541	2.2
246.11244	4.5
247.24261	8.5
271.10165	4.2
273.12198	3.3
273.18484	7.4
273.25839	12.2
291.13351	11.5
291.16281	3.1
291.19690	14.5
291.26801	77.5
292.27115	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03935	3.3
55.01868	3.9
55.05508	25.8
56.96552	3.8
57.03430	1.7
57.07074	8.6
57.07308	1.5
67.05173	2.5
67.05506	35.3
69.03414	4.1
69.07066	51.4
69.49573	2.9
69.49980	10.9
71.04982	6.0
71.08633	2.6
79.05066	1.8
79.05496	25.2
81.03409	2.6
81.07053	100.0
83.08623	18.5
85.02914	2.0
85.06538	17.8
91.05471	15.7
91.33269	1.4
93.06472	3.4
93.07040	48.1
95.05019	3.2
95.08604	89.0
97.06537	9.2
97.10152	13.3
98.20741	2.8
98.97585	3.6
99.08087	11.1
105.07011	18.8
107.04910	2.0
107.07860	3.1
107.08587	55.4
109.06506	6.2
109.10155	67.7
111.08092	13.5
111.11703	8.9
113.09658	3.6
116.98616	5.7
117.07000	3.9
119.01923	1.9
119.08566	14.5
121.06478	2.0
121.10135	40.8
123.08044	5.8
123.11704	36.4
125.09634	8.8
125.13212	1.6
131.08549	5.8
133.10133	14.2
134.99664	3.6
135.08125	1.9
135.11696	28.3
137.09505	1.9
137.13248	17.2
139.11172	4.4
143.08531	2.7
145.10107	5.5
147.11681	9.7
149.09615	4.6
149.13258	40.1
151.11195	2.1
151.14803	4.3
153.12718	5.3
157.10043	2.6
159.11729	3.7
161.09702	2.3
161.13274	9.8
163.03935	3.3
163.11162	2.6
163.14832	25.4
165.16360	2.4
167.14276	5.1
171.11697	1.6
173.02333	3.8
175.14803	4.5
177.16382	16.6
179.14230	2.0
179.18115	1.6
181.15848	3.6
189.16368	4.7
191.17934	8.6
195.17468	2.0
203.17957	3.7
205.19588	3.7
209.18974	3.0
215.07045	6.8
217.19403	3.8
221.18965	4.2
233.08177	2.0
235.20586	4.2
247.24202	6.9
259.09167	1.6
273.18576	6.5
273.25781	7.5
291.19598	13.4
291.26813	71.0
292.27188	2.3
305.97760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03928	2.9
55.05513	15.7
65.03928	1.7
67.05505	41.0
69.07069	16.2
70.68468	3.2
70.68816	2.5
79.05495	66.9
81.07057	48.8
83.04979	2.0
83.08630	9.7
83.54581	1.7
85.06554	3.2
90.79794	1.4
91.05489	25.2
93.07043	100.0
95.04967	8.5
95.08607	34.1
97.10170	5.7
105.04543	1.7
105.07030	17.9
106.08694	1.3
107.05010	1.7
107.08592	59.3
109.06512	3.5
109.10146	12.8
111.25875	1.6
115.85127	1.5
117.07001	3.6
119.08565	15.5
121.10137	52.1
123.08040	2.5
123.11655	3.3
125.09615	2.0
129.07004	2.3
131.08563	6.3
133.10138	11.5
135.08109	3.4
135.11691	55.2
137.09601	2.2
139.76215	1.8
143.08582	2.9
145.10106	5.2
147.11707	12.8
149.09618	5.1
149.13260	34.5
155.50339	1.7
157.10158	3.1
159.11702	5.7
161.13258	8.3
163.11162	4.3
163.14822	11.6
171.11655	4.8
173.13286	2.6
175.11290	2.2
175.14828	7.1
177.12811	3.6
185.13248	4.7
189.12764	2.1
199.14825	2.8
213.16444	2.5
217.19382	2.1
235.16924	2.3
241.19458	5.7
249.18462	2.4
259.20633	10.9
291.19879	3.1
291.23181	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02373	2.4
53.03930	3.7
54.40121	2.2
55.05510	24.5
57.07063	2.4
67.05505	39.2
67.14784	2.5
69.07066	24.2
71.59721	1.7
79.05059	4.5
79.05495	62.1
81.07056	52.7
83.08606	11.3
85.06542	2.6
90.19215	2.3
91.05479	31.5
93.07040	98.7
95.04970	10.6
95.08601	41.2
97.06532	4.8
97.10172	4.6
105.07018	20.2
107.08590	60.7
109.06496	7.5
109.10151	18.4
111.08080	2.7
111.32158	2.2
117.07066	2.7
119.08586	20.9
121.06451	2.8
121.09310	3.6
121.10146	57.0
123.08035	2.4
123.11691	5.4
125.09660	2.7
131.08545	6.0
133.10114	16.5
135.08081	3.7
135.11697	61.3
137.09631	2.9
143.08499	2.9
145.10077	6.5
147.11674	15.7
149.09566	4.3
149.13252	38.5
151.07545	3.7
157.10101	2.9
159.11697	4.4
161.09618	3.2
161.13268	10.9
163.11159	9.2
163.14836	13.0
165.12775	4.3
171.11697	6.5
173.13303	3.1
175.11066	2.8
175.14801	4.2
177.12784	3.6
177.16548	2.8
185.13264	6.7
189.12717	3.1
199.14981	2.4
203.14308	4.4
207.13741	2.6
209.15266	3.3
213.16226	2.9
221.15479	2.2
235.16977	5.3
240.72578	2.5
241.19489	6.3
249.18529	10.2
259.20560	12.5
291.19946	6.2
291.23181	100.0
292.23618	2.3
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	Unknow
Peak:m/z	Relative Intensity
50.94876	3.6
53.03939	4.0
55.01852	4.1
55.05502	15.7
56.96553	5.2
57.07070	19.7
58.95345	4.1
67.05503	46.6
69.07056	12.9
69.31989	3.0
69.90077	3.1
70.94521	3.7
70.94839	6.5
73.63290	3.2
79.05493	71.4
81.07062	47.6
83.08617	4.2
85.06524	7.6
91.05475	27.2
93.07044	100.0
95.04980	7.5
95.08607	42.7
97.10181	8.3
105.03400	7.9
105.07008	18.2
107.04984	5.4
107.08596	56.2
109.06525	4.0
109.10149	14.0
111.08096	3.4
113.99760	3.6
117.06982	7.3
119.08552	15.8
121.10146	46.4
123.08069	4.9
123.11705	6.0
125.09665	3.2
131.08572	8.9
133.10136	13.9
135.11697	49.6
137.09610	5.0
143.08542	4.5
145.10103	7.1
147.11679	11.5
149.09547	5.9
149.13264	34.1
159.11681	6.7
161.13237	8.6
163.11244	3.7
163.14825	9.2
171.11687	3.3
175.11153	4.1
175.14874	6.7
177.12706	3.4
181.03381	4.0
187.52504	8.0
199.04591	6.3
199.14861	5.0
200.04706	4.6
241.19519	5.9
249.18564	8.7
259.20544	8.2
274.53302	3.5
290.38306	3.8
291.19501	14.9
291.23163	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	4.9
55.05510	24.1
56.09893	1.4
57.07078	2.0
65.03967	2.1
67.05502	48.5
69.07068	19.9
69.71490	11.5
71.05013	1.8
79.05489	70.5
81.07055	55.3
83.08617	17.4
85.06524	3.6
91.05473	30.7
91.56055	1.9
93.07040	100.0
95.04956	9.3
95.08609	34.9
97.02867	2.7
97.06511	4.3
97.10168	7.0
105.07024	17.7
107.08592	59.1
109.06510	4.1
109.10171	14.3
110.99689	1.7
111.08092	5.7
117.06984	4.3
119.08581	21.3
121.06536	1.9
121.10139	52.2
122.10503	2.2
123.08072	3.7
123.11683	5.0
125.09643	2.7
129.06999	2.7
131.08580	7.4
133.03537	2.3
133.06546	1.9
133.10107	14.8
135.08095	3.0
135.11691	64.3
137.09605	2.6
139.11179	2.0
143.02260	1.5
143.08545	3.7
145.10129	5.7
147.11696	10.6
149.09648	6.3
149.13251	36.2
151.04544	3.0
151.07571	5.3
157.10109	3.2
159.11736	8.3
161.09689	2.2
161.13274	9.0
163.11121	4.0
163.14804	12.2
171.11708	4.0
173.13248	3.5
175.04594	2.0
175.11104	2.6
175.14839	5.2
177.12732	3.6
179.41611	1.7
185.13208	4.9
185.14806	1.5
189.12752	3.5
191.10672	4.7
197.11708	2.1
199.14796	2.5
207.13824	5.3
213.16298	2.6
217.19510	2.6
233.15302	2.9
235.17072	2.2
241.19499	3.9
249.18579	3.6
259.20532	10.2
273.18430	3.1
291.19589	29.2
291.23163	59.7
291.26410	2.2
292.20068	2.3
292.23456	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.39413	1.8
53.03930	5.9
55.05509	15.0
56.70047	1.7
57.07042	2.2
65.03917	2.3
67.05499	38.9
69.07063	17.3
71.52871	3.8
79.05489	76.8
81.07050	52.2
83.04968	1.9
83.08626	10.1
83.17044	1.8
85.06532	3.0
88.60609	1.7
91.05473	22.7
93.07040	100.0
95.04948	7.5
95.08037	3.1
95.08598	32.6
97.10147	4.6
105.07024	18.3
107.08585	59.7
109.06474	2.2
109.10160	12.4
115.21394	2.0
117.06999	4.3
119.08581	16.7
121.10133	39.5
123.08022	2.7
123.11697	4.1
131.08527	5.2
133.10109	14.8
135.08037	2.3
135.11691	51.8
137.09546	2.0
145.10098	6.1
147.11670	10.7
149.09671	3.3
149.13255	36.4
159.11679	4.9
161.09637	2.6
161.13264	6.5
163.11156	3.9
163.14799	10.5
171.11694	4.9
173.13181	3.4
175.14838	3.2
177.12726	4.5
177.16049	1.6
185.13159	3.1
195.13876	2.4
203.14233	2.5
213.16301	2.2
217.19519	2.1
221.15398	1.9
235.16743	2.6
241.19534	6.4
249.18388	2.7
259.20605	9.2
291.19830	3.3
291.23160	66.7
314.63779	2.0
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	Unknow
Peak:m/z	Relative Intensity
50.40252	1.2
51.02374	1.2
53.03935	4.1
55.01866	1.8
55.05507	17.2
57.07074	2.2
67.05503	37.6
69.06776	1.2
69.07072	15.9
71.06402	3.3
73.06530	1.7
79.05489	74.2
81.06575	2.3
81.07055	47.7
83.08627	8.7
85.06516	4.2
91.05481	28.9
93.07041	100.0
95.04947	7.5
95.08601	34.4
97.06521	3.2
97.10155	4.1
105.04610	1.4
105.07030	19.2
107.08588	55.3
109.06500	3.7
109.10147	13.1
109.38210	1.4
117.07011	2.3
119.08589	14.0
121.10137	43.0
123.08041	2.4
123.11681	3.4
125.09641	1.3
129.06970	2.1
131.08563	4.4
133.10120	12.6
135.08057	2.1
135.11679	56.3
143.08569	1.6
143.67204	1.3
145.10100	5.9
147.11694	9.2
149.09583	3.8
149.13254	33.9
157.10146	2.4
159.11700	5.8
161.13226	8.3
163.11159	3.1
163.14836	10.0
165.12778	1.6
171.11710	4.0
173.13272	3.4
175.11150	1.9
175.14828	4.8
177.12753	2.7
177.16335	1.6
185.13272	3.8
199.14725	3.4
209.15379	2.7
213.16379	2.3
217.19498	3.0
231.17471	1.9
235.17026	1.9
241.19569	6.7
245.13135	1.4
249.18616	3.1
254.22685	1.4
259.20633	9.4
291.19852	2.9
291.23151	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	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03941	3.7
55.01652	1.0
55.01871	10.6
55.05510	17.1
56.96555	1.1
57.03181	1.1
57.03437	14.6
57.07054	1.5
59.04995	1.3
60.84569	1.0
65.03945	1.7
65.05390	0.8
67.05509	25.9
69.03426	9.8
69.07064	10.5
69.79919	1.9
69.80330	4.7
71.04984	8.2
76.93867	1.0
77.03943	1.2
79.05493	36.9
81.03419	10.7
81.07059	35.9
83.04971	6.0
83.08631	5.8
85.06538	6.1
86.86241	1.0
87.01679	1.1
91.05484	32.5
93.07047	28.1
95.04958	9.8
95.08609	16.0
97.02872	2.3
97.06529	3.5
97.10167	4.1
98.20662	0.9
99.08043	1.9
103.05483	1.7
105.07034	27.7
107.04958	12.5
107.08596	17.4
109.06520	39.6
109.10171	5.5
111.08096	2.0
115.05441	1.7
116.06257	1.4
116.98591	1.5
117.07014	14.2
119.04956	2.2
119.08581	21.1
121.06511	19.0
121.10145	12.7
123.08069	12.7
123.11685	4.3
125.09606	2.1
128.06209	2.5
129.07002	7.5
130.07773	1.3
131.08568	19.9
133.06482	5.2
133.10152	10.1
135.08057	26.7
135.11658	2.9
137.09610	3.6
142.07741	1.9
143.08572	7.5
145.06543	1.8
145.10121	13.0
147.08067	12.0
147.11694	7.4
148.08887	1.3
149.09627	30.6
149.13295	2.6
155.08585	1.5
157.10153	8.7
159.08163	2.0
159.11688	6.2
161.09573	9.2
161.13306	2.6
163.11166	4.8
165.06967	1.0
165.12737	0.9
167.08566	1.1
169.10109	1.5
171.11700	4.8
173.09624	2.3
173.13261	3.1
175.11165	4.7
175.14868	1.3
177.12721	1.0
181.10147	1.2
183.11684	3.0
185.09398	1.0
185.13278	4.4
187.11116	1.2
189.12749	3.0
195.11800	1.0
199.14870	3.2
201.12749	2.5
203.14325	2.9
205.12326	1.4
207.13821	2.1
209.13318	1.0
211.14786	1.0
217.15868	12.3
219.13783	3.8
221.15379	1.5
227.17894	2.0
235.16843	1.8
237.16365	1.9
245.18962	4.3
255.17505	4.9
255.19730	1.0
263.20029	2.0
273.15396	1.6
273.18488	33.4
291.19547	100.0
292.19980	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	4.1
55.01869	18.7
55.05509	18.4
56.08798	1.3
57.03436	13.6
57.07083	2.9
64.49361	1.6
65.03951	2.2
67.05505	21.9
69.03432	3.9
69.07066	8.4
71.04992	2.9
77.96870	1.3
79.05492	40.5
81.03416	3.3
81.07058	36.4
83.04983	5.5
83.08632	7.8
83.87931	1.4
85.06557	3.9
91.05482	30.6
93.07041	30.5
95.04959	11.0
95.08607	19.7
97.02061	1.3
97.06524	2.7
97.10165	5.1
101.38771	1.3
103.05444	2.7
105.07028	21.4
107.04952	25.1
107.07870	1.9
107.08589	33.4
107.90577	1.4
109.06516	56.5
109.10150	11.5
111.08079	4.7
113.06011	1.8
115.05385	3.0
116.06229	1.9
117.07016	17.5
119.04942	2.0
119.08582	18.3
121.06515	11.2
121.10136	11.2
123.08061	8.8
123.11721	3.2
125.09663	5.2
128.06233	2.4
129.07034	9.0
131.08575	19.0
133.06519	4.3
133.10114	12.6
135.08051	100.0
135.11665	6.9
137.09642	5.2
143.08582	6.4
145.10107	15.3
147.08029	8.2
147.11697	5.7
149.09633	13.1
149.13249	3.7
151.07578	5.4
151.11177	8.3
157.10133	9.7
159.08072	3.6
159.11723	5.2
161.09688	8.7
161.13295	2.4
163.11176	3.9
163.14871	1.6
169.10127	1.8
170.95119	1.4
171.11729	4.8
173.09615	1.9
173.13271	3.0
175.11223	4.8
175.14876	2.8
177.12756	2.6
183.11658	2.2
185.13297	2.0
189.11243	1.5
189.12776	2.0
189.16403	1.5
191.14351	2.3
199.11154	2.4
199.14870	2.7
201.12848	1.7
207.13829	3.9
217.15878	18.3
223.13364	2.2
227.17987	2.1
237.16455	1.6
245.19003	3.8
249.14934	2.4
255.17438	3.9
262.75601	1.4
273.18506	26.2
273.21802	2.9
281.45142	1.4
291.19580	64.9
291.23166	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	291.1951
Annotation	ML-236C
Peak:m/z	Relative Intensity
53.01897	1.9
53.03939	5.2
55.01852	6.3
55.05503	29.5
56.96545	2.4
57.03429	5.4
57.07058	5.4
65.03907	4.6
67.05501	50.3
68.99779	2.3
69.03418	6.4
69.07068	40.4
71.04977	9.8
71.08624	3.6
71.59504	2.6
71.59879	3.5
79.05486	59.1
81.03417	7.6
81.07056	100.0
81.82045	2.1
83.04959	5.7
83.08621	15.6
84.04489	7.5
85.04838	6.2
85.06535	12.2
91.05478	74.7
93.07040	57.8
95.04960	13.5
95.08600	76.1
97.06528	19.4
97.10144	10.0
98.97559	2.4
99.08082	7.7
103.05458	3.2
104.04306	2.3
105.07024	75.0
107.04934	10.8
107.08588	47.9
109.06511	26.0
109.10148	38.4
111.08059	9.9
111.11715	3.8
113.06023	2.4
113.09679	4.1
115.05421	6.0
116.06249	4.1
117.07013	35.3
119.08574	47.2
121.06486	9.9
121.10139	35.2
121.71017	2.3
123.08072	15.5
123.11710	20.2
125.09647	5.6
128.06201	4.3
129.07031	11.2
130.07776	5.8
131.08559	50.1
133.02919	2.9
133.06474	3.9
133.10126	41.7
135.08047	11.0
135.11694	30.3
137.05965	4.3
137.09587	7.2
137.13251	6.5
139.11203	5.2
142.07774	2.9
143.08607	14.5
144.05699	5.0
145.06479	5.2
145.10127	59.4
147.08009	7.8
147.11691	31.1
149.09607	15.7
149.13271	22.1
151.07480	2.3
155.08574	5.3
157.10130	15.7
159.11674	28.3
161.09589	6.7
161.13174	10.7
163.11180	5.7
163.14885	10.6
169.10098	6.2
171.11696	14.2
173.02348	3.2
173.05978	5.8
173.13278	16.5
175.11180	6.2
175.14806	7.1
175.31908	2.2
177.09161	3.4
177.16362	5.7
181.10138	6.3
183.11728	2.7
185.13246	7.5
187.11331	2.8
187.14803	6.7
189.05490	4.1
189.12732	2.4
189.16389	7.9
195.11684	5.1
199.11206	4.2
199.14760	2.3
201.16034	2.3
203.18002	5.4
207.13748	3.1
211.14850	2.9
213.16386	14.2
215.06993	2.6
217.15900	4.1
217.19478	3.4
227.17943	3.9
229.19450	10.8
231.06477	7.8
231.17413	4.8
233.15581	2.5
235.20480	2.2
237.16348	6.9
247.20564	6.2
255.17487	6.7
273.15707	3.7
273.18521	33.5
273.25702	7.3
291.08719	6.4
291.19540	91.1
291.22958	4.9
291.26688	26.8
292.19998	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	5.6
53.38081	3.1
55.01872	15.9
55.05507	25.0
56.96566	5.8
57.03419	11.0
57.07075	5.5
67.05505	40.7
69.03418	7.7
69.07067	28.3
70.50732	4.1
71.04984	8.2
73.95076	2.6
79.05492	40.7
81.03416	15.9
81.07059	45.0
83.01388	2.8
83.04971	9.5
83.08607	13.0
85.06535	5.6
91.05479	40.8
93.07046	39.9
95.04974	23.8
95.08050	3.6
95.08607	44.1
97.06528	10.0
97.10162	5.0
98.97589	3.2
99.04454	6.8
105.07034	36.2
107.04958	51.0
107.08604	28.5
109.06516	22.1
109.10147	15.2
111.04449	8.4
111.08072	13.9
111.87589	3.0
115.05451	3.6
116.98580	4.5
117.06983	16.0
119.08578	34.0
121.06525	11.8
121.10186	13.6
123.08057	10.9
123.11707	6.4
125.09589	4.9
128.06337	2.7
129.06998	12.2
131.08543	23.5
133.06448	6.8
133.10156	18.4
134.99648	5.7
135.08044	36.7
135.11665	7.8
135.65750	2.7
137.09633	8.1
142.07756	3.3
143.08563	9.0
145.10138	16.6
147.08061	9.5
147.11659	10.4
149.09610	26.1
149.13216	3.9
151.07561	22.7
151.11179	6.4
153.00841	2.8
153.09109	4.0
157.10118	11.9
159.08038	4.2
159.11716	9.1
161.09630	18.1
163.11188	7.0
165.12761	4.1
169.10141	4.5
171.11673	12.1
173.09622	4.5
173.13303	4.4
175.11179	7.6
177.12733	3.2
187.11177	3.4
189.12715	4.3
191.14394	3.8
193.12271	10.5
197.11812	5.0
199.14828	4.0
207.13835	16.2
217.12154	3.6
217.15924	5.6
221.11713	9.3
233.15318	4.6
235.13329	4.0
237.16238	3.1
245.19009	9.5
255.17438	7.4
273.18494	35.0
290.89157	3.2
291.19550	100.0
291.26862	5.0
292.15823	3.3
313.50613	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.57734	2.7
53.03933	8.2
55.01868	16.0
55.05512	63.2
57.03432	6.8
57.07085	3.9
67.05502	44.8
69.03424	12.2
69.07082	15.3
70.96736	9.9
71.04990	7.1
79.05489	76.4
81.03412	3.6
81.07051	64.1
83.04964	14.6
83.08605	22.3
85.06548	4.7
91.05479	77.7
93.07044	43.5
95.04947	23.1
95.08603	27.4
97.10153	23.0
105.03405	5.3
105.07024	37.4
107.04974	23.7
107.08595	33.6
109.06518	13.1
109.10137	15.7
111.08076	13.2
115.05405	3.8
117.07011	39.9
119.08576	72.5
121.06490	19.7
121.10145	10.0
123.08072	22.7
125.09623	22.7
125.31734	2.9
128.06253	3.8
129.07021	14.4
131.08563	31.5
132.05655	3.6
133.06497	9.1
133.10132	11.7
135.08060	30.0
135.11761	7.8
137.09610	4.2
141.06989	3.7
142.07765	4.1
143.08488	17.2
145.06453	5.5
145.10118	31.7
147.08040	55.7
147.11728	7.7
149.09607	14.0
151.07533	62.0
151.48517	2.9
155.08524	3.7
157.10149	12.1
159.11711	13.8
161.09604	8.2
163.11177	5.1
169.10095	4.0
171.10310	3.5
171.11703	9.3
173.09656	4.1
175.11205	4.7
176.05634	3.3
179.10732	5.2
185.13219	3.1
189.11197	9.7
189.12794	16.8
192.11444	3.9
195.11700	4.1
197.11644	5.0
199.11061	3.7
207.13840	33.9
213.12489	2.8
217.12280	2.9
227.18002	5.0
237.16316	5.2
245.19009	6.7
249.14932	12.4
255.17476	10.0
273.18475	100.0
291.19534	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05505	4.0
57.07067	2.0
59.04997	2.3
67.05491	4.0
69.03423	2.0
69.07060	1.8
70.06848	4.0
71.04988	2.8
79.05480	3.7
81.07065	6.0
83.04973	1.3
83.08612	2.8
85.06542	1.1
91.05473	3.7
93.07050	8.9
95.04964	3.6
95.08613	11.8
97.06501	2.6
105.07034	7.8
107.04956	3.7
107.08597	5.3
108.05750	1.4
109.06514	5.3
109.10155	2.8
111.04431	1.2
111.07358	1.9
111.08083	28.6
117.07074	1.1
119.08566	7.7
121.10147	4.2
122.07268	1.2
123.08069	32.6
123.11663	1.1
123.33196	1.1
125.09640	1.4
131.08578	2.3
133.06520	2.7
133.10136	5.7
135.08087	5.0
135.11726	2.7
137.09644	2.9
143.08612	1.6
145.10147	9.0
147.08041	3.5
147.11690	5.8
149.09605	4.8
151.07541	100.0
153.21701	1.0
155.10626	1.3
156.09270	1.4
157.10138	2.8
159.08118	1.2
159.11719	2.8
161.09612	3.6
161.13185	1.3
163.11191	3.8
171.11649	3.3
173.09714	1.8
173.13275	3.5
174.10451	3.0
175.11133	2.7
177.09123	2.4
179.10670	7.4
187.11151	2.4
189.12738	28.3
191.14314	3.7
192.11409	4.9
196.59790	1.0
197.11699	13.7
197.13258	2.0
207.13803	67.3
213.16391	1.7
215.14325	3.1
217.12225	3.5
231.17374	1.9
233.15359	10.7
235.13321	1.4
254.57249	1.0
255.17407	3.2
257.11154	1.1
273.18362	6.6
291.19550	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	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
54.15806	1.3
55.05513	8.9
57.07051	2.4
59.04985	2.0
67.05492	6.1
69.03402	2.3
69.07040	1.8
70.66766	3.8
71.04985	3.4
72.25738	1.4
74.12173	1.1
79.05499	10.2
81.07051	9.2
81.12011	1.6
83.04986	2.8
83.08616	9.2
85.06527	3.2
91.05474	5.9
93.07042	11.9
95.04969	6.1
95.08611	17.9
97.06521	4.6
99.30231	1.5
104.29352	1.2
105.07021	9.7
107.04955	12.3
107.08595	8.6
109.06545	6.6
109.10178	3.1
111.08078	43.7
119.08600	9.3
121.06474	2.9
121.10134	6.0
123.08067	36.9
123.11711	1.8
125.09637	1.9
129.06923	1.4
131.08594	7.0
133.06427	3.4
133.10138	7.8
135.08012	5.0
135.11655	2.9
137.09641	3.6
143.08580	2.8
145.10123	3.9
147.08073	3.2
147.11671	6.4
149.09604	6.6
149.13216	1.8
151.07533	100.0
155.10602	2.1
157.10130	4.3
158.10970	1.4
159.08000	2.3
161.09619	3.2
163.11177	4.0
171.11621	2.6
173.09624	1.9
173.13289	6.8
174.10368	1.7
175.11229	3.4
177.09117	3.5
177.30617	1.3
179.10651	6.0
181.12219	1.9
186.57925	1.5
189.12726	28.0
191.14317	12.4
192.11414	5.5
197.11708	13.0
197.13287	2.4
203.13986	1.6
207.13803	63.2
211.13281	1.4
213.16405	1.6
215.14363	2.3
217.12308	4.7
231.17374	2.2
233.15361	38.6
273.18518	5.5
291.19531	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	1.5
55.05511	7.8
57.03427	0.7
57.05341	0.5
57.07053	0.8
65.03947	0.9
67.05509	5.0
69.03404	0.8
69.07079	3.6
69.38527	2.2
69.38957	3.5
71.04988	0.9
75.76221	0.6
79.05497	7.7
81.03412	0.9
81.07058	8.2
83.04956	1.0
83.08607	4.3
91.05476	7.7
93.07056	6.6
95.04988	3.2
95.08617	4.7
97.06504	0.7
97.10159	3.5
98.21508	1.2
98.98428	0.7
105.03423	0.6
105.07021	7.7
107.04964	3.4
107.08596	3.8
108.05763	0.8
109.06520	1.4
109.10165	1.1
111.08076	1.0
112.79041	0.6
115.05426	0.7
117.07011	2.3
119.04902	1.8
119.08583	5.7
121.06503	2.3
121.10130	2.1
123.08070	1.2
125.09600	1.2
130.07825	0.8
131.08554	2.5
133.06488	2.6
133.10132	2.0
135.08035	1.3
135.11664	1.8
142.07736	0.8
143.08553	1.5
145.10081	2.9
147.08017	3.0
149.09616	2.4
149.13210	0.9
151.07552	1.8
157.10147	0.7
159.11838	1.2
161.09723	0.8
161.13248	0.6
162.10405	1.4
163.11192	1.0
165.09105	0.8
198.75142	0.6
207.13785	1.2
223.13339	0.9
233.15451	0.8
236.16409	0.7
244.22923	0.6
249.14862	1.2
249.18507	2.2
262.15814	0.8
273.18475	2.6
291.19547	100.0
292.19824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	2.5
54.59295	2.0
55.01886	4.0
55.05511	13.8
56.96560	3.2
57.07051	2.8
61.70358	2.0
63.07767	2.2
67.05508	10.0
69.03418	6.8
69.07067	20.1
71.04980	7.1
71.27268	4.6
73.36093	2.0
79.05492	26.5
81.07060	31.7
83.04982	7.4
83.08614	7.6
85.02922	2.9
85.06536	2.8
91.05477	22.1
93.07043	40.9
95.04953	7.3
95.08612	21.2
97.06541	11.5
97.10181	3.6
98.97545	3.4
105.07022	33.7
107.04987	10.8
107.08583	26.2
109.06522	31.5
109.10171	12.0
111.08083	12.5
111.11731	2.7
117.07018	9.5
119.08579	15.1
121.06540	3.0
121.10136	50.0
123.08067	18.2
123.11728	6.0
125.09637	7.5
129.07021	4.9
131.08562	14.7
133.06514	5.7
133.10176	8.6
135.08037	18.3
135.11682	5.1
137.09639	5.8
137.13326	2.3
139.11183	3.7
143.08603	6.0
145.10109	10.1
147.08054	5.1
147.11690	8.6
149.09616	21.8
149.13275	3.4
151.07536	29.5
153.05553	4.3
157.10135	7.9
159.11664	4.7
161.09612	3.9
161.13354	2.6
163.11208	2.6
167.10672	100.0
169.10110	2.4
171.11705	7.6
173.09610	3.9
173.13260	10.7
175.11214	11.8
185.13264	4.0
189.12782	11.4
191.10677	9.7
191.14336	7.8
197.11720	2.6
197.13344	4.5
207.13762	16.6
215.14293	7.3
217.12296	4.7
227.17909	2.7
233.15376	20.4
242.64836	2.1
245.18929	2.7
255.17564	4.2
273.18506	21.4
291.19550	49.8
291.26862	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	1.0
55.01873	3.5
55.05260	0.9
55.05509	11.7
59.04995	0.9
65.03922	1.0
66.31376	0.5
67.05503	7.7
69.03407	1.7
69.07072	5.8
69.53736	1.3
69.54158	2.9
71.04966	1.6
79.05055	0.8
79.05491	11.5
81.03409	2.0
81.07053	10.5
83.04966	2.0
83.08624	4.7
85.06529	0.8
91.05480	11.0
93.07035	9.3
95.04963	5.8
95.08600	5.5
97.06535	1.2
97.10157	5.4
98.97477	0.7
103.05471	0.5
105.03341	0.6
105.07032	9.2
107.04964	6.5
107.08591	4.5
107.35546	0.5
109.06506	1.7
109.10146	2.0
111.08065	1.8
115.05405	0.8
116.06213	0.8
117.07005	4.2
119.04937	2.2
119.08576	9.2
121.06507	3.0
121.10141	3.0
123.08053	2.2
125.09615	3.3
128.06244	1.1
129.07028	3.0
129.07852	0.7
130.07762	0.7
131.08553	5.0
133.06500	4.0
133.10118	2.6
134.07286	1.3
134.99640	0.7
135.08037	2.6
135.11662	1.8
137.09586	0.8
142.07762	0.6
143.08551	2.3
145.10127	5.2
147.08060	5.8
147.11674	1.4
149.09584	2.9
149.13278	1.3
151.07524	2.7
151.11270	0.5
151.26677	0.5
157.10121	1.6
159.11703	2.2
161.09641	2.5
161.13252	1.0
162.10394	1.0
163.11171	1.7
171.11644	0.7
173.09647	0.6
175.11214	2.6
177.12721	0.6
189.11189	0.8
189.12714	1.6
207.13818	1.2
223.13316	2.1
244.14615	0.6
249.14862	3.6
255.17450	0.7
273.18530	8.0
279.88489	0.6
291.19531	100.0
292.19855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.96559	3.6
60.02642	0.5
61.01151	14.0
65.98007	0.4
67.05508	1.2
68.89600	0.5
69.03442	1.1
69.07072	0.8
69.77589	3.3
70.06593	3.4
72.08166	0.8
73.02936	0.7
79.05487	1.1
81.03407	1.7
81.07064	1.1
84.04502	2.3
84.08144	79.2
85.02895	1.2
86.09705	1.9
87.04464	0.5
88.04026	0.6
88.26665	0.5
91.05434	0.9
93.07026	1.1
95.08606	0.8
97.02879	1.1
98.20775	0.6
98.97597	2.5
105.07000	0.7
107.04973	0.7
107.08605	0.5
111.04391	0.9
116.98631	3.6
120.08115	1.0
123.93400	0.6
124.07550	0.6
128.98672	0.6
129.10202	0.6
129.29089	0.6
130.06551	0.6
132.08427	100.0
133.08778	0.5
134.99651	4.3
136.03908	1.0
138.09196	0.9
143.00168	0.7
146.99651	0.6
147.04414	2.9
149.19763	0.5
151.07573	1.2
153.00757	0.6
154.04901	0.6
157.06586	0.6
159.11707	0.9
161.01169	2.4
170.99655	0.7
175.07562	1.2
177.00729	1.3
179.02222	0.7
189.00618	1.3
198.11301	1.2
200.10858	0.8
201.00713	1.8
215.13950	1.4
219.01784	1.8
227.11693	0.8
228.10213	1.2
231.03946	0.9
237.02878	0.6
241.09729	0.5
242.10422	0.9
243.11322	1.1
244.12056	0.9
245.12762	1.0
246.11420	1.0
249.02831	0.9
267.03796	0.7
273.12262	2.2
274.10785	1.0
291.13214	7.1
291.17316	15.9
312.82965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	8.5
55.01871	9.6
55.05516	5.0
57.03421	2.4
57.07074	1.3
63.92270	1.1
65.03911	1.4
66.04724	2.2
67.05499	13.6
67.82712	1.0
69.07068	14.4
70.86466	2.7
70.86817	1.2
71.04987	1.7
79.05489	37.4
81.03419	19.2
81.06573	2.0
81.07055	40.0
83.04969	3.8
88.22981	1.0
91.05476	12.8
93.07040	27.6
95.04964	10.3
95.08606	6.3
97.06520	1.4
103.05486	1.5
105.07028	8.1
107.04932	8.8
107.08588	13.1
108.05740	1.5
109.06513	100.0
109.10141	1.7
111.04414	2.5
111.08054	1.8
115.05503	1.6
117.06998	8.9
119.08589	8.0
121.06480	3.4
121.10104	5.8
123.08076	1.5
123.56345	1.2
127.07485	2.2
128.06195	1.1
129.07013	2.1
131.08543	4.1
133.10117	3.0
135.08038	5.6
135.11664	10.6
137.05974	72.5
143.08546	1.9
145.06421	1.1
145.10114	7.0
147.08028	1.4
147.11705	1.8
149.09579	2.3
151.07535	2.4
155.07086	1.7
159.11702	2.9
161.09592	1.3
161.13268	1.6
163.11174	30.2
165.09108	3.8
173.08121	1.5
173.09538	1.4
191.10693	1.5
193.12247	1.4
204.11336	1.1
207.13773	1.2
222.12582	1.2
256.29840	1.1
273.18475	11.5
279.80896	1.2
291.19550	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
53.33124	0.6
55.02987	0.8
55.05514	4.0
60.05636	2.2
67.05415	0.6
70.06594	5.1
70.11462	1.9
72.08155	20.2
73.04050	1.3
77.03920	4.6
79.05460	1.3
83.10756	0.6
84.08146	0.7
85.02890	0.8
86.07189	0.8
95.04935	1.1
97.02861	0.8
97.07629	4.2
97.82568	0.6
98.06071	3.0
98.97565	1.1
105.03382	11.1
106.04158	0.7
106.06564	1.8
107.04951	3.1
110.66691	0.6
114.10287	10.7
115.08694	8.5
122.06023	2.1
123.04430	2.9
131.12898	2.2
133.02852	71.3
134.03716	3.5
134.06015	24.4
135.04361	1.0
135.06299	0.7
150.05502	6.7
151.03928	0.7
157.10826	0.9
161.02306	1.0
162.03162	1.1
162.05501	6.0
163.03911	1.3
175.12196	0.8
176.10614	2.3
177.58156	0.7
178.05003	1.6
186.09113	0.9
201.10236	1.7
203.11795	14.4
204.10204	60.0
205.10590	1.4
218.12923	1.6
221.12904	2.3
232.09624	2.0
233.10585	1.2
246.12404	19.8
247.12834	0.7
263.15030	100.0
264.15460	3.1
274.11917	2.1
275.12808	1.2
291.14496	42.7
292.15182	4.6
297.78143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
58.98528	0.6
60.05635	1.8
63.75799	0.7
70.06590	5.2
70.74113	1.6
72.08157	17.5
73.04041	1.3
77.03923	3.6
83.26187	0.6
95.04984	1.4
97.07651	2.8
98.06055	2.1
101.03870	0.8
105.03389	11.0
106.06549	2.1
107.04933	2.8
114.10308	9.5
115.08720	7.7
122.06031	1.2
123.04415	1.1
131.12926	1.8
132.04463	1.0
133.02855	71.6
134.03745	1.4
134.06017	23.1
135.04364	0.7
150.05510	7.0
153.02509	0.6
157.10863	1.5
161.02347	0.9
162.03154	0.9
162.05478	4.8
163.03915	0.9
175.12384	0.8
176.10738	1.2
178.04916	1.3
190.04855	0.8
198.25641	0.8
201.10287	1.6
203.11807	12.0
204.10213	51.2
205.10451	1.7
218.12895	1.9
221.12805	1.5
232.09628	1.9
239.57021	0.7
246.12392	16.1
263.15045	100.0
264.15320	3.1
274.12134	0.9
291.14520	45.8
292.15210	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	291.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
56.05027	4.6
56.96563	24.3
57.03429	5.8
57.84369	1.4
58.06601	13.3
58.48646	1.4
59.06924	3.1
60.04530	7.7
60.05642	4.2
61.02906	1.5
65.24736	1.6
68.05019	4.2
69.03419	4.8
69.43506	4.3
69.43932	7.9
70.06592	100.0
71.04994	13.4
71.06908	1.6
72.08152	10.1
73.02914	4.1
73.08472	2.0
74.02426	3.9
74.06076	2.2
81.03474	1.6
83.04956	2.4
83.06087	2.1
84.04513	13.8
84.08141	28.9
84.96020	5.4
85.02900	10.7
85.08486	1.7
86.06065	2.3
86.09690	2.0
87.05564	1.9
88.03976	12.5
88.07637	2.0
90.05550	3.7
91.05499	1.9
93.06989	1.7
95.06078	3.8
96.04493	2.0
97.02875	5.8
97.05132	4.2
97.07640	2.4
98.06033	2.5
98.97595	9.9
99.04435	3.4
99.05569	1.8
110.02480	1.8
110.07172	2.7
110.97562	3.6
112.05104	3.5
112.08718	5.6
113.07125	3.7
114.05543	7.1
115.08698	8.6
116.03473	2.8
116.07092	24.8
116.98608	10.4
119.01927	8.2
120.02016	2.0
121.01662	7.3
126.05509	4.2
127.06187	1.6
128.07066	4.0
128.98590	5.5
129.06709	2.8
129.07726	11.8
129.10263	4.8
130.04974	4.5
130.08723	2.7
130.09676	2.9
130.12335	2.1
131.01868	2.3
131.04533	2.1
133.01677	2.7
133.03481	2.8
133.09712	5.8
134.04472	2.2
134.99628	7.2
135.03180	2.5
136.05226	1.4
136.06160	19.1
136.07619	2.2
137.02913	2.6
139.02628	2.0
140.07019	1.8
141.06638	2.6
142.08673	2.5
143.00128	4.8
143.01915	1.5
143.11774	1.9
144.12173	1.9
145.03381	1.6
146.99641	10.7
147.03215	1.8
147.11279	1.8
149.01169	2.4
153.00735	2.3
154.94231	2.4
158.01353	1.7
158.05592	2.4
158.09274	5.3
158.99609	1.9
159.07660	8.6
160.07230	2.8
161.01228	14.4
161.02950	5.6
162.99136	2.0
163.02736	4.6
165.00694	5.1
167.02310	2.0
170.99646	2.7
172.95276	8.8
173.01233	1.8
173.02939	3.7
175.02750	3.3
175.11937	14.8
176.06723	8.1
177.00691	7.0
178.04945	7.0
179.02290	3.6
189.00708	5.2
190.96242	4.9
191.02283	3.2
191.03859	2.1
195.01775	1.6
200.54640	2.8
201.00769	2.0
205.00095	2.1
207.01682	2.3
210.09006	1.7
216.10533	2.0
219.01711	4.4
223.01279	4.3
223.87785	1.6
228.09872	2.5
231.01668	1.6
232.08162	1.6
237.02849	2.9
241.09396	1.9
246.10901	3.6
249.02888	2.5
255.10832	4.2
259.10379	3.6
261.06323	2.6
273.12003	9.7
273.14536	2.3
279.07373	2.2
291.06879	2.1
291.10370	34.8
291.13028	56.4
291.15775	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02971	6.8
56.96567	31.3
70.06600	8.9
70.96194	13.1
72.08144	22.7
81.07047	8.2
84.04478	7.4
84.08149	10.4
85.02888	8.9
86.17181	8.1
87.10011	7.2
98.97587	25.5
105.03383	10.7
109.06498	7.4
114.10293	7.4
116.01692	5.6
116.98616	28.3
133.02853	63.9
134.06020	31.8
134.99649	22.7
146.99628	16.2
150.05515	9.6
161.01242	8.8
165.00702	7.6
177.00711	11.1
177.80573	6.8
189.00667	9.2
191.02216	10.6
203.11801	18.8
204.10175	66.9
219.01886	9.5
237.02745	17.7
246.12444	17.4
249.18613	6.8
263.15018	100.0
291.09589	8.1
291.14648	37.3
294.88736	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03546	3.1
55.05515	5.9
56.96561	26.9
64.28358	3.1
69.03407	3.5
70.06586	14.9
70.27296	13.5
72.05698	3.0
72.08152	25.5
75.50735	3.4
81.07057	5.0
83.05014	3.7
84.04505	3.8
84.08139	4.8
85.02906	8.0
86.09731	3.3
93.06983	3.4
97.02871	3.7
97.07661	4.4
98.06030	6.0
98.97593	16.6
105.03384	11.1
107.04980	3.2
110.97552	3.4
112.07548	3.4
114.10323	11.6
115.08676	8.0
116.98624	21.4
122.05988	5.4
128.98643	6.9
133.02846	87.4
134.05988	21.7
134.99646	15.4
146.99655	12.5
147.04469	4.2
150.05505	7.6
162.05548	7.3
165.00703	3.5
165.04390	3.7
177.00714	9.2
195.01741	4.2
202.01608	3.1
203.11809	17.8
204.10197	63.4
219.01796	7.7
229.09648	3.6
231.02876	5.1
237.02821	22.0
246.12442	16.8
263.15051	100.0
291.08084	17.9
291.14444	40.1
309.08582	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	291.0973
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
50.93812	1.4
70.58373	4.3
73.60722	1.2
78.22513	1.2
88.04012	1.7
104.67389	1.2
108.25325	1.3
110.53733	1.5
115.05431	5.6
116.70992	1.5
118.06535	13.8
124.05370	1.3
124.53710	1.3
129.07011	2.3
130.06525	100.0
131.06879	1.7
132.08086	40.1
142.06534	14.4
144.08095	6.9
146.05995	18.6
153.20119	1.4
156.02991	1.3
156.08119	3.4
157.07611	7.3
158.05960	2.1
158.08389	4.6
159.09175	84.9
160.07574	8.3
167.06059	2.3
169.07648	3.2
170.06010	35.5
172.07516	2.0
181.07513	1.7
182.06027	1.6
183.09186	5.0
184.07556	15.9
185.07091	42.7
186.07480	1.6
187.08691	4.2
188.07060	40.4
199.08722	3.1
200.07108	9.3
201.10258	11.5
209.07133	1.8
219.97842	1.3
227.08150	48.7
229.09734	2.3
231.07684	4.7
245.09210	81.2
246.09528	1.8
255.07520	2.6
273.08731	8.7
284.76987	1.3
291.09729	2.0
291.19553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05506	1.9
56.05027	3.3
56.96554	0.6
57.03444	3.0
60.04515	1.8
61.02930	4.9
67.05507	0.8
68.99787	4.0
69.03428	1.4
69.07068	1.1
69.91563	0.6
70.06584	0.7
70.66299	1.3
72.04536	0.7
72.93037	0.6
73.02915	3.2
79.05502	0.5
80.52579	0.6
81.03431	4.1
81.07055	1.0
84.04502	100.0
85.02906	16.9
85.04830	0.7
87.00833	7.2
91.05511	0.8
93.07061	0.6
94.57254	0.5
95.04947	0.7
95.08624	1.6
96.04482	1.9
97.02885	4.1
97.06551	0.6
98.06049	5.4
99.04476	2.0
100.03978	0.8
103.03937	15.3
103.67625	0.6
104.50212	0.5
105.01875	3.1
107.08582	0.9
108.04472	2.4
109.02891	3.6
110.06039	1.7
111.08141	0.5
114.17036	0.5
115.33582	0.6
120.08955	1.0
121.10163	1.0
126.05512	29.6
127.03925	3.4
129.01834	7.0
144.06590	1.3
147.02881	4.3
150.05550	0.8
156.06566	1.6
160.11977	0.6
168.06558	10.4
171.02869	1.5
186.07613	2.7
188.15001	0.6
189.03923	5.3
196.96120	0.6
204.08710	3.1
212.05527	1.2
228.08708	0.9
272.07626	3.6
272.24509	1.1
290.08688	18.1
290.25558	1.3
291.09341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08158	1.0
55.01875	1.5
55.93520	1.0
56.05034	6.8
56.96563	21.9
58.06594	3.6
60.04516	1.2
60.05645	2.2
61.02916	1.2
69.03437	2.7
69.07068	1.2
70.06585	4.3
70.31034	4.3
71.04981	1.1
72.08150	6.4
72.93792	1.9
73.02915	2.2
74.06081	34.2
74.97626	1.4
78.08058	1.3
79.87990	1.1
81.03437	1.8
84.04498	9.4
84.08135	2.7
84.96037	1.6
85.02890	5.5
86.06069	1.9
86.09706	100.0
86.96728	1.0
87.04420	1.2
90.94857	2.3
91.33109	1.1
97.02905	2.7
98.97584	4.5
102.05548	1.5
110.97550	1.6
113.07132	1.1
116.98635	5.5
119.00247	1.3
119.01904	2.3
125.10751	3.5
127.03915	2.0
128.07111	1.2
128.98643	3.3
130.07231	1.2
131.01820	1.2
132.95775	1.3
132.99066	1.1
133.02827	2.4
134.05992	1.6
134.99672	2.9
136.78186	1.1
142.12280	12.2
146.99644	8.6
150.00711	1.5
152.10683	6.7
157.13412	4.9
158.06683	2.1
159.02829	4.3
159.07658	6.4
161.01212	2.5
162.99106	1.6
163.02745	1.8
163.97691	1.4
165.00732	5.1
169.13354	3.1
173.12921	3.3
174.99103	13.9
175.00500	1.5
177.00720	1.6
177.08707	24.4
179.02286	1.6
181.98747	1.5
183.01796	2.0
185.12953	2.1
187.07312	1.8
187.14418	20.5
187.15959	1.8
189.00673	2.1
190.98611	2.5
191.02289	1.8
191.03876	2.4
191.10246	1.5
192.01733	1.4
192.98439	2.2
193.00211	37.1
200.04451	4.7
201.12317	1.4
204.10196	1.3
206.95888	1.2
208.17686	1.1
208.99710	4.0
211.01201	4.0
211.02991	1.6
215.13908	18.0
219.01550	1.6
223.01344	1.6
230.95895	1.4
237.02875	2.3
244.03365	1.1
247.01308	4.8
263.15024	2.9
265.02316	4.0
272.16034	4.9
290.14282	1.3
291.00287	1.5
291.03845	2.3
291.14603	1.8
309.05167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05510	1.0
56.05034	2.8
57.03445	3.2
57.22171	0.5
60.04515	1.4
61.02925	3.7
64.75687	0.6
68.99790	3.5
69.03436	2.0
69.07038	0.6
72.04512	0.7
73.02907	2.5
80.05033	0.7
81.03400	2.8
84.04504	100.0
85.02905	14.4
85.04859	0.7
87.00831	5.6
96.04492	1.5
97.02903	2.0
98.06060	2.4
98.97614	0.6
99.04443	0.8
100.11260	1.3
103.03941	15.5
105.01871	2.7
105.07069	0.6
108.04485	1.8
109.02883	2.2
110.06064	1.1
111.83350	0.6
123.25935	0.5
126.05512	21.7
127.03930	2.2
129.01836	6.2
141.11371	0.7
144.06589	0.9
147.02916	3.8
150.05428	0.9
156.06512	1.1
168.06560	4.6
171.02913	1.9
173.02452	0.9
186.07652	2.2
189.03963	6.0
200.72653	0.6
204.08734	2.6
212.05487	0.5
215.07016	0.8
228.08731	1.3
229.30632	0.7
272.07593	3.3
290.08704	14.0
290.12180	1.1
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
53.03934	1.6
55.05506	1.9
56.05027	3.3
56.96554	0.6
57.03444	3.0
60.04515	1.8
61.02930	4.9
67.05507	0.8
68.99787	4.0
69.03428	1.4
69.07068	1.1
69.91563	0.6
70.06584	0.7
70.66299	1.3
72.04536	0.7
72.93037	0.6
73.02915	3.2
79.05502	0.5
80.52579	0.6
81.03431	4.1
81.07055	1.0
84.04502	100.0
85.02906	16.9
85.04830	0.7
87.00833	7.2
91.05511	0.8
93.07061	0.6
94.57254	0.5
95.04947	0.7
95.08624	1.6
96.04482	1.9
97.02885	4.1
97.06551	0.6
98.06049	5.4
99.04476	2.0
100.03978	0.8
103.03937	15.3
103.67625	0.6
104.50212	0.5
105.01875	3.1
107.08582	0.9
108.04472	2.4
109.02891	3.6
110.06039	1.7
111.08141	0.5
114.17036	0.5
115.33582	0.6
120.08955	1.0
121.10163	1.0
126.05512	29.6
127.03925	3.4
129.01834	7.0
144.06590	1.3
147.02881	4.3
150.05550	0.8
156.06566	1.6
160.11977	0.6
168.06558	10.4
171.02869	1.5
186.07613	2.7
188.15001	0.6
189.03923	5.3
196.96120	0.6
204.08710	3.1
212.05527	1.2
228.08708	0.9
272.07626	3.6
272.24509	1.1
290.08688	18.1
290.25558	1.3
291.09341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05507	14.0
57.07056	1.2
59.05002	2.3
65.03951	1.2
67.05502	17.6
69.06773	1.2
69.07069	13.5
69.53147	9.3
71.05011	1.3
73.06515	1.3
79.05493	15.6
81.07055	19.7
83.04948	1.6
83.08615	6.8
85.06530	3.8
91.05477	41.0
93.07037	17.2
95.04963	2.5
95.08055	1.4
95.08604	16.0
97.06532	1.4
97.10140	3.0
103.05447	1.3
105.07026	59.7
106.07386	1.1
107.08587	13.2
109.06526	2.8
109.10165	8.7
111.08058	1.3
115.05479	2.0
117.07008	11.5
119.08576	49.1
121.10136	9.9
123.08057	1.5
123.11705	2.4
125.09584	1.8
128.06161	1.0
129.06972	3.5
131.08559	15.1
133.10123	34.5
135.08031	1.7
135.11673	5.5
141.06898	1.1
143.08545	2.9
145.10107	18.7
147.07936	1.6
147.11685	26.4
148.64163	1.2
149.09613	1.7
149.13290	2.0
157.10092	6.6
159.11693	16.0
161.09584	1.8
161.13269	8.4
163.07602	1.2
169.10138	2.8
171.11668	5.7
173.13280	10.3
175.14838	2.5
180.56169	1.2
183.11691	3.8
185.13329	2.0
187.11116	2.2
187.14893	1.3
189.12735	1.3
197.13232	4.2
201.12735	2.0
211.14783	3.3
213.16373	1.8
215.14304	1.8
215.17950	1.8
229.19522	1.9
239.18002	6.3
240.76295	1.1
257.19016	12.1
271.20541	2.1
289.18369	3.9
289.21603	100.0
290.21957	4.6
297.21579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.57325	4.1
54.13390	4.6
55.05513	25.7
56.44768	4.4
57.07072	11.4
59.05000	21.3
59.77792	5.0
64.71035	5.4
67.05510	26.4
69.07072	49.2
70.22836	22.6
71.04996	5.6
79.05506	13.0
81.07059	37.7
83.04988	26.2
83.08617	13.4
85.06562	27.7
91.05483	41.4
93.07036	34.6
95.04972	8.4
95.08614	41.6
97.06544	12.1
99.08125	6.6
101.06057	6.6
105.07010	32.7
107.08591	27.8
108.37208	4.8
109.06495	5.3
109.10170	21.1
117.07050	9.8
119.08577	54.2
119.09344	6.0
121.10139	16.8
123.08057	4.5
123.11684	26.1
125.09647	5.3
129.07016	6.2
129.11409	4.3
131.08577	27.3
133.10153	30.2
135.11644	6.3
143.08575	15.9
145.10104	45.9
147.08047	5.2
147.11710	23.6
149.09613	7.4
149.13345	4.5
156.09344	6.0
157.10164	19.4
158.10979	4.9
159.11690	32.3
161.09598	5.2
161.13269	27.5
165.09088	7.3
169.10086	6.6
171.11671	19.8
173.13272	27.6
175.11176	6.1
175.14847	51.9
183.11674	6.7
187.14827	16.6
189.12717	6.2
189.16463	8.0
195.19881	4.6
197.13304	5.3
199.14856	7.0
201.12735	7.1
201.16447	13.8
213.16338	8.3
215.17995	13.3
227.17984	8.2
239.17976	7.2
243.21089	15.9
245.18991	8.3
257.19022	7.8
271.20538	21.0
289.18484	7.8
289.21649	100.0
290.24850	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	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01864	5.4
55.05508	28.1
56.96572	11.0
57.03446	11.6
57.07068	3.5
61.02914	4.8
67.05500	44.6
69.03419	9.0
69.07067	30.9
69.46442	21.2
69.76306	2.2
71.04995	19.4
76.65371	2.0
79.05487	25.2
81.03432	4.9
81.07056	92.0
83.04960	6.8
83.08623	20.8
84.04498	4.8
85.02889	19.2
85.06534	13.4
91.05487	23.5
93.07037	35.4
94.05455	2.4
95.04971	13.5
95.08604	100.0
96.08126	2.9
97.02888	5.7
97.06519	20.3
97.10165	9.1
98.97545	3.7
99.08070	5.9
103.51856	2.5
105.07037	33.8
107.08591	23.5
109.06494	7.1
109.10152	20.5
111.08102	5.6
113.09623	3.1
116.98666	2.5
117.07016	5.7
119.08575	42.2
121.06526	5.9
121.10132	18.9
123.08040	9.0
123.11710	4.6
125.09658	3.7
125.68944	2.5
127.03920	6.3
131.08569	5.3
133.10133	29.3
135.08022	4.9
135.11717	21.2
137.09592	3.7
137.13249	13.1
145.04982	5.1
145.10112	6.6
147.11687	7.8
148.60646	2.4
149.13228	9.5
159.11649	6.2
161.13249	62.4
163.14769	3.4
173.13255	4.1
179.14299	36.5
187.49992	2.3
197.15288	6.3
201.16478	3.9
208.08615	4.0
237.02861	3.2
241.11197	4.2
253.11180	16.2
253.17978	8.9
259.12238	7.2
271.12161	24.2
271.16531	4.1
271.19061	53.0
271.24237	7.3
272.12646	3.1
289.17914	9.8
289.25189	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03921	1.9
55.01864	1.9
55.05266	1.2
55.05514	19.8
59.04988	1.9
65.03930	1.1
67.05503	24.0
69.07067	17.8
71.60366	1.4
72.07394	1.0
73.06544	2.0
79.05492	20.7
81.07053	25.6
83.04981	1.3
83.08617	12.5
85.06535	3.8
91.05481	56.7
93.07047	19.5
95.04965	2.5
95.08605	23.3
97.06536	1.7
97.10166	2.5
99.08092	1.5
102.78801	1.1
103.05469	2.1
105.07031	76.4
106.08710	0.9
107.08598	12.8
109.06490	1.6
109.10159	6.5
111.08105	1.3
113.83454	1.1
117.07021	19.0
119.08580	70.0
121.06551	1.4
121.10189	6.3
123.11719	1.9
128.06242	1.3
129.06984	5.0
131.08572	22.3
133.10124	40.7
135.08058	1.9
135.11682	4.4
141.06941	1.6
143.08568	3.3
145.10121	32.5
146.10701	1.1
147.08006	1.4
147.11685	36.9
149.09673	2.0
155.08557	3.6
157.10088	10.5
159.11699	32.6
161.09569	2.2
161.13239	14.9
163.11212	2.0
169.10080	3.9
171.11726	6.5
171.12936	1.0
173.09761	1.4
173.13257	17.1
175.11134	1.8
175.14828	2.2
179.10614	0.9
183.11670	5.8
185.13242	2.9
187.11186	2.2
187.14828	1.1
189.12759	1.0
193.12224	1.5
197.13272	4.4
201.12798	2.9
207.13922	1.6
211.14777	3.0
213.16296	2.2
215.17984	5.7
218.48787	1.1
229.15910	2.3
229.19502	2.5
235.46843	1.0
239.17931	14.6
257.19016	23.8
258.19348	1.1
289.21613	100.0
290.22052	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01877	5.6
55.05500	11.4
57.03426	6.4
67.05498	27.4
69.03428	8.2
69.07061	23.6
69.61099	38.9
69.73254	4.8
71.04979	11.7
73.02867	5.4
79.05487	35.1
81.03446	7.4
81.07055	52.5
82.97455	4.7
83.04977	17.9
83.08632	9.3
84.04499	48.2
85.02912	7.8
85.06536	10.2
85.82739	4.6
91.05464	35.9
93.07053	68.7
95.04940	23.3
95.08607	58.6
97.06515	30.6
98.21466	11.0
99.04466	24.1
103.03925	8.5
105.07000	40.2
107.04953	7.5
107.08590	31.5
107.09221	5.7
109.06518	37.5
109.10189	9.3
109.65826	4.5
111.08076	22.8
113.06013	5.3
117.07024	6.1
119.01900	6.9
119.08549	30.3
121.06493	85.2
121.10141	7.7
123.08053	10.0
123.11705	14.4
125.05995	16.3
126.05513	6.3
127.07570	13.6
129.06972	10.9
130.06523	16.7
131.08549	12.8
132.04439	22.1
133.10104	26.1
135.08040	15.1
139.07542	21.9
142.07843	5.6
143.07005	10.9
143.08592	15.7
145.10124	15.4
147.08102	7.0
147.11682	39.3
151.07573	5.5
157.07544	9.2
157.08687	13.3
157.10176	21.3
158.06009	18.4
159.06516	12.2
159.11691	5.3
161.13324	14.6
163.14871	6.2
165.12784	20.4
169.10135	5.0
169.12231	21.8
171.11710	13.8
175.08755	7.0
175.11179	31.1
183.11600	5.2
186.02335	5.7
189.12775	26.5
193.12227	38.4
199.08992	5.2
199.11139	30.0
207.13809	13.8
211.13217	34.6
217.12244	100.0
229.14368	19.2
235.13232	83.8
237.02722	5.4
253.14276	42.6
271.16922	5.8
289.11899	7.1
289.18002	13.3
290.08768	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.0
53.18007	4.1
55.01856	9.2
55.05499	15.3
56.21795	4.6
56.96564	4.6
67.05502	18.6
69.03405	8.0
69.07057	20.0
71.04992	14.3
71.44288	12.9
79.05511	27.2
81.07063	52.9
83.04983	25.1
83.08610	7.8
84.04488	18.5
85.02921	6.8
85.06529	9.0
86.09708	4.5
89.06071	4.4
91.05466	23.2
93.07037	64.3
95.04964	16.1
95.08598	52.7
97.02884	5.1
97.06526	39.7
99.04436	29.6
105.07011	42.5
107.08617	31.7
109.06501	37.3
109.10164	6.6
111.08088	33.0
113.06043	9.0
119.08595	20.3
121.02833	5.4
121.06503	96.7
121.10130	9.8
123.11708	12.0
125.06000	12.6
126.05545	5.6
126.06569	5.1
127.07563	13.3
129.06967	5.9
130.05009	15.8
133.10162	23.7
135.08061	15.4
135.11911	5.4
139.07527	22.1
141.05449	5.3
142.07765	9.3
143.06981	11.3
143.08554	5.6
145.10126	10.8
147.08017	6.7
147.11670	50.1
149.05995	8.6
151.11215	11.2
157.08611	13.4
157.10130	13.6
159.06534	14.1
161.13298	13.8
165.12759	16.8
169.12260	21.0
169.38033	5.9
171.11723	14.5
175.11203	38.0
175.93510	4.8
177.05482	10.2
189.12701	22.3
193.12271	46.3
199.11168	32.6
207.13792	15.9
211.13249	33.9
217.12239	100.0
229.14331	12.3
229.31017	5.7
235.13306	85.0
253.14275	40.1
262.59149	5.1
289.06058	39.4
289.18109	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	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03951	5.0
55.01862	10.5
55.05264	3.5
55.05513	42.0
56.96560	5.1
57.03440	28.7
57.07079	4.0
57.74006	3.3
59.04974	3.8
59.68317	3.0
67.05508	30.0
69.03416	8.1
69.07062	14.4
70.16138	3.1
70.46069	4.7
70.46424	14.2
71.05000	5.0
79.05498	38.8
81.03404	5.5
81.07059	34.6
83.04976	9.0
83.08603	12.9
84.04501	3.9
85.06550	5.3
87.20473	3.3
91.05485	49.3
93.07050	26.1
95.04957	13.4
95.08612	21.5
97.06545	6.1
97.10164	18.1
105.07034	39.5
107.04926	20.5
107.08601	27.9
109.06503	13.8
109.10153	12.2
115.05442	11.2
117.07016	48.4
119.04874	4.0
119.08586	59.5
121.06507	21.0
121.10119	11.8
123.08105	8.3
125.09628	14.2
128.06224	4.3
129.07004	9.4
131.04916	4.9
131.08575	21.6
133.06447	8.4
133.10144	31.4
135.08022	22.9
135.11671	7.7
137.05890	3.2
137.09683	3.5
143.08534	11.5
145.06493	43.6
145.10097	21.5
147.08105	16.9
147.11659	14.4
149.05928	3.7
149.09622	6.9
151.46455	3.4
155.08545	6.2
157.10127	11.3
157.36740	3.8
159.08061	67.3
159.11685	14.3
161.09653	9.2
161.13266	6.1
163.07544	9.7
163.11174	4.1
169.10158	8.4
173.09619	12.5
173.13252	5.9
175.11183	5.5
175.72565	3.6
177.09126	6.7
187.11098	3.4
187.14774	4.8
189.11290	6.9
189.12810	5.8
193.69281	3.4
197.13335	4.3
203.10330	3.7
215.14211	5.9
233.15332	17.4
243.17461	8.9
253.15863	10.5
257.19040	8.9
261.18518	6.7
266.12720	5.0
271.16953	72.0
284.14157	5.4
289.14606	5.7
289.17978	100.0
289.21558	22.9
289.24768	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	289.1646
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.00432	3.2
53.03941	6.5
55.01865	11.2
55.05512	18.1
56.05035	5.8
56.96562	29.7
57.03421	6.9
60.04504	4.3
61.02933	4.7
65.03925	4.1
67.05505	33.1
68.99763	5.4
69.03412	16.3
69.07070	26.4
69.42441	23.1
69.42868	11.9
71.04990	20.7
79.05495	40.5
81.03410	11.7
81.07053	65.9
83.04972	21.9
83.08626	8.5
84.04506	100.0
85.02914	19.1
85.06537	12.8
86.09727	4.8
87.00828	6.7
91.05484	29.7
92.75448	3.6
93.07043	74.6
94.07381	4.4
95.04974	20.7
95.08607	63.2
96.08966	5.7
97.02873	10.2
97.06541	36.6
98.06030	5.4
98.20679	6.6
98.97574	11.2
99.04459	26.8
99.08115	3.6
103.03928	11.7
105.07037	42.9
107.04959	17.4
107.08598	37.8
109.02887	10.3
109.06511	37.9
109.10145	16.4
111.08067	27.6
112.02186	10.2
113.06003	5.5
115.05398	5.1
116.98607	13.4
117.07015	6.6
119.01953	4.6
119.08607	34.4
121.06515	88.7
121.10140	12.8
123.04430	4.0
123.08063	8.8
123.11704	11.7
125.05976	16.8
126.05530	25.1
127.03896	6.6
127.07526	13.7
128.06203	4.7
128.98668	5.0
129.01839	5.5
129.06970	11.5
131.08549	12.2
133.06494	9.9
133.10144	30.2
134.99677	9.9
135.04456	6.2
135.08052	19.7
137.05969	17.6
137.09567	5.4
137.13268	4.0
139.07568	21.9
140.01633	6.9
141.05394	4.1
141.07034	4.0
142.07762	7.7
143.07014	12.6
143.08575	14.9
145.10133	12.1
146.18021	3.7
146.99643	7.0
147.08002	14.3
147.11685	62.9
149.05804	3.7
149.09572	4.9
149.13232	5.1
151.11169	6.9
157.06430	5.0
157.08609	11.3
157.10141	13.6
159.06618	18.4
159.07797	5.8
161.01239	6.8
161.02916	4.5
161.13211	13.4
163.11148	4.0
164.05913	4.9
164.56125	4.4
165.12738	17.9
166.07703	4.0
168.06607	7.9
169.12286	19.6
170.99638	5.0
171.11710	16.7
173.06483	4.0
173.09601	5.8
173.13275	7.5
173.56644	5.2
175.11200	38.9
177.00720	10.2
181.10165	5.7
186.02144	6.4
187.11127	7.5
189.03992	7.7
189.12723	25.6
191.10645	4.1
193.12227	35.0
199.11150	29.9
201.00667	8.1
207.13795	16.5
211.13264	38.8
217.12263	100.0
219.01714	6.0
225.07925	16.0
226.08260	6.3
229.14333	11.3
235.13284	71.0
237.02838	9.8
243.09050	4.7
253.14299	46.7
271.17023	6.8
289.11630	12.7
289.14706	5.1
289.18314	18.1
289.21167	4.7
290.08759	15.6
307.10483	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01868	9.5
55.05497	12.5
55.41022	3.7
56.96552	5.3
61.02910	3.6
67.05499	22.2
69.03433	5.6
69.07069	20.2
71.04983	11.6
79.05486	25.3
81.03419	4.3
81.07056	48.1
83.04990	18.4
83.08615	8.1
84.04511	10.5
85.02937	3.3
85.06546	8.1
91.05476	23.4
93.07037	64.8
95.04971	20.6
95.08601	46.9
97.06528	29.4
98.97551	3.7
99.04443	25.0
105.07034	39.4
107.04966	10.1
107.08595	24.7
109.06509	29.8
109.10146	9.5
111.08085	25.5
113.06034	3.6
116.98600	4.4
117.06982	5.0
119.08579	21.9
121.06507	83.2
121.10144	10.3
123.04465	4.9
123.08043	6.9
123.11697	12.3
125.05978	11.2
127.07564	14.1
128.40903	3.3
129.07037	5.1
131.08571	8.4
133.06548	6.9
133.10130	27.8
135.04439	6.2
135.08063	15.5
137.06015	5.4
139.07545	23.4
142.07779	5.4
143.07037	13.1
143.08556	9.8
145.10126	11.6
147.04424	9.5
147.08034	5.0
147.11688	57.7
149.09637	5.1
151.11272	6.6
153.01830	9.3
157.08609	12.3
157.10141	12.4
159.06541	18.6
159.07727	3.2
161.06023	4.8
161.13278	10.2
163.03955	4.3
165.12723	23.3
169.01288	24.6
169.12201	20.7
171.11710	15.0
173.13292	4.4
175.11186	35.3
181.10068	3.4
189.12726	26.5
193.12236	38.1
199.11171	24.8
207.13753	16.4
211.13274	38.9
217.12244	100.0
229.14366	11.7
235.10979	4.5
235.13290	79.0
253.14352	49.8
289.06647	28.2
289.17865	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	289.0708
Annotation	Swertinin
Peak:m/z	Relative Intensity
53.03944	1.5
55.01871	1.9
55.05516	6.3
55.60310	1.1
56.96568	5.7
57.03427	2.1
57.07067	1.5
57.73936	1.2
59.84045	1.2
65.03957	1.2
67.05517	6.8
69.03436	2.8
69.07081	8.8
70.72213	1.6
70.72549	2.8
71.04996	1.7
79.05492	8.9
81.07053	14.6
83.05004	2.2
83.08617	3.4
84.04495	1.7
85.02863	2.8
85.06531	2.2
91.05496	6.5
93.07037	9.8
95.04965	4.9
95.08608	13.9
97.02872	1.7
97.06509	3.1
97.10169	2.0
98.97575	3.3
105.07030	11.9
107.04951	16.3
107.08596	9.3
109.06509	4.6
109.10171	8.5
112.02167	1.3
116.98618	3.4
117.07005	3.1
119.01957	2.7
119.08585	7.9
121.06489	3.3
121.10121	8.8
123.08071	2.4
123.11694	2.8
125.09663	1.2
128.06233	2.1
129.06995	2.7
131.08562	4.9
133.10101	5.7
134.99641	2.7
135.08060	4.1
135.11678	3.9
137.09630	3.2
141.06969	2.9
143.08594	1.6
145.06404	1.7
145.10121	4.4
147.08022	2.1
147.11659	4.0
149.01210	1.6
149.09605	3.9
149.13297	3.3
151.11151	1.6
152.06187	2.1
153.06949	3.4
154.04144	1.8
155.04944	1.6
155.08560	1.6
157.10127	2.4
159.08043	5.5
159.11673	2.9
161.01184	1.9
161.02922	1.6
161.09581	1.7
161.13278	5.3
162.63234	1.3
163.11153	1.2
169.06488	11.2
172.05165	3.3
173.13271	2.2
175.14897	1.7
177.00713	2.4
179.14290	1.4
184.05196	9.2
185.05965	2.1
187.03987	3.7
187.07542	1.5
187.14801	1.7
195.01691	1.5
197.05984	10.8
199.07582	2.0
200.04695	17.5
201.16385	1.8
203.07039	2.4
203.17953	1.6
210.05420	1.7
211.03928	3.8
212.04674	22.0
213.05446	3.4
215.07025	36.5
215.14166	1.4
215.17879	2.5
219.01649	2.4
219.10382	1.5
225.05470	4.3
227.07007	16.7
228.04243	3.9
231.14069	1.5
237.02612	1.9
239.03394	1.9
243.06541	28.0
243.21135	1.6
245.08098	12.0
247.13011	1.4
253.04991	2.2
257.04349	1.6
271.06009	100.0
271.16867	3.2
271.24142	4.3
289.07071	82.4
289.17905	11.8
289.21561	2.6
289.25043	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
51.94500	3.1
53.03939	5.8
55.01859	8.1
55.05503	11.2
56.96543	6.9
57.03416	6.6
64.25774	3.7
67.05497	26.5
69.03412	10.9
69.07065	16.6
70.06578	5.5
70.19887	16.6
71.04992	17.8
79.05493	31.3
81.03392	5.3
81.07059	59.3
83.04964	21.6
83.08568	4.5
84.04507	55.9
85.02914	12.1
85.06522	6.8
91.05477	33.7
93.07047	59.0
95.04978	22.8
95.08599	41.7
97.02900	8.4
97.06538	36.4
98.97553	5.9
99.04458	22.7
103.03919	5.1
103.05474	3.7
105.07022	54.0
107.04924	5.7
107.08588	35.6
109.02901	5.8
109.06515	37.8
109.10155	11.0
111.08036	19.6
112.02224	4.7
113.06007	6.5
116.98597	6.8
117.07011	9.0
119.01919	21.0
119.08569	34.2
121.06497	100.0
121.10120	10.8
123.08073	13.0
123.11673	11.0
125.05977	14.8
125.09634	4.1
126.05501	14.4
127.03895	5.3
127.07545	8.6
128.06203	4.3
129.01813	4.7
129.06975	11.6
130.06506	13.9
130.07625	3.3
131.08575	10.0
133.06465	4.7
133.10152	23.1
135.04399	4.7
135.08041	17.7
135.11732	5.8
137.05949	7.2
137.09628	4.6
137.13199	3.8
139.07536	20.7
142.07767	8.1
143.01892	5.4
143.07021	13.5
143.08522	13.2
145.06453	4.3
145.10129	17.2
147.08044	8.2
147.11668	52.5
149.05934	14.1
149.09584	8.5
149.13268	4.9
157.07536	6.5
157.08643	10.7
157.10127	14.6
159.06511	14.9
161.02922	7.4
161.09576	7.6
161.13226	5.9
164.80769	4.2
165.12752	14.9
169.10121	5.7
169.12199	17.9
171.11694	20.8
175.11159	30.5
177.00703	3.7
181.10049	6.8
181.55206	4.3
185.13123	4.4
187.00856	10.6
187.11183	5.0
189.12740	23.8
191.10725	6.0
193.12259	30.5
199.11172	28.1
199.15039	3.7
207.13818	13.0
211.13237	26.9
217.12238	85.5
229.14178	4.6
235.13251	73.7
243.04320	5.8
253.14253	41.6
271.16956	9.4
289.11902	6.4
289.15250	6.0
289.18036	39.0
290.08673	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01867	2.8
56.96556	14.8
57.03431	11.3
61.02921	7.5
67.05488	3.1
69.03436	15.6
69.95158	10.1
69.95569	5.5
71.01366	3.1
71.04993	3.5
73.02906	10.1
77.00883	3.7
81.03403	11.1
84.96026	3.2
85.02905	30.1
86.03231	3.8
97.02891	17.8
98.03190	2.3
98.97555	15.0
99.04448	10.2
101.00874	11.1
103.31377	2.6
109.02882	9.4
110.97549	2.9
113.01729	3.4
115.02434	10.3
116.98616	12.3
119.01914	100.0
127.03931	43.4
128.02292	5.1
128.98596	4.6
131.01874	7.7
132.95801	2.6
133.03467	32.3
134.99675	9.0
137.02957	47.5
139.03331	3.3
140.52425	2.8
143.01875	15.4
144.10219	5.5
144.99818	5.4
145.03444	5.3
146.99651	10.8
147.04988	6.3
149.02921	6.1
151.04541	6.5
153.00725	2.9
157.03488	3.3
158.99655	4.3
160.97636	3.4
161.02959	60.9
162.01688	2.8
165.00662	4.7
168.99817	9.5
170.84772	3.3
171.01334	5.4
173.03008	10.3
175.02722	4.6
177.00732	6.8
177.02696	2.4
177.04214	8.2
186.04659	19.2
187.00861	21.9
188.96986	4.5
189.00838	5.2
189.02440	17.0
191.04024	9.1
191.54019	4.3
193.00169	4.2
196.99396	3.3
198.53049	4.3
199.00842	6.4
199.03528	3.8
205.01930	7.9
207.01746	3.9
207.03548	8.6
207.55370	4.8
208.99673	3.2
215.00381	22.5
217.01907	17.9
219.01727	6.5
219.03659	5.4
233.01532	4.9
247.03099	20.9
265.03998	4.3
289.05585	16.5
307.05157	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	288.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61127	0.0
56.96560	0.1
63.96780	0.1
67.01528	0.1
67.01862	1.4
67.05508	0.0
68.02194	0.5
68.99424	0.1
68.99783	1.1
69.03415	0.1
70.00110	0.3
70.73266	0.0
70.73601	0.1
79.05472	0.3
80.05810	0.1
81.03418	0.1
81.07045	0.1
85.02877	0.1
89.03912	0.4
90.04243	0.3
95.08589	0.1
97.02873	0.1
103.05478	0.1
107.04926	0.2
107.08546	0.1
108.05276	0.1
109.02894	0.1
111.00777	0.1
111.04439	0.1
112.04780	0.1
115.05488	0.1
116.05785	0.1
117.03362	0.4
118.03724	0.5
126.02647	0.1
127.03889	0.1
129.01791	0.2
129.06360	0.1
130.02150	0.2
130.07339	0.1
134.99574	0.0
135.04407	2.3
136.04736	2.6
137.02338	0.7
137.03300	0.1
138.02672	0.6
140.05730	0.1
144.03789	0.1
153.01816	5.9
154.02153	5.4
154.03232	0.1
155.02283	0.1
157.06448	0.1
158.06833	0.1
161.01122	0.1
161.02327	0.8
162.02670	0.9
162.57642	0.1
168.05267	0.1
171.02890	1.2
171.04294	0.1
172.03258	0.9
172.04744	0.2
179.03328	0.3
180.03703	0.3
185.05928	0.1
186.06302	0.2
190.05753	0.1
196.04778	0.1
196.08243	0.1
199.03775	0.1
200.04219	0.1
202.05818	0.1
203.03331	0.1
204.03712	0.2
213.05432	0.1
214.05785	0.6
219.06055	0.1
220.06842	0.1
223.32666	0.1
228.03598	0.1
232.06821	0.2
241.04854	0.1
242.05276	1.4
245.04022	0.1
246.04819	0.2
259.05435	0.1
260.06247	0.3
264.05786	0.1
270.04764	0.9
287.05008	0.1
288.05807	100.0
289.06006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.01863	1.1
55.05510	11.4
56.05030	1.2
56.96557	2.2
57.05815	1.4
58.57947	0.7
68.87845	0.8
69.03415	1.1
69.07059	1.3
70.06589	6.7
70.94515	2.2
71.04978	1.0
72.08151	100.0
79.05505	0.9
81.07084	1.3
81.46152	0.8
83.04961	1.9
84.04484	1.3
84.08132	3.7
85.02890	2.3
86.09700	77.7
88.00834	0.9
88.04021	0.9
91.05468	1.1
95.08644	0.9
97.02893	1.9
98.06046	1.0
98.97557	2.1
104.07122	1.5
105.07006	1.2
107.04977	2.9
116.98576	0.9
118.08651	4.0
120.08112	1.2
126.09077	0.9
127.03883	1.3
129.10237	22.5
130.06506	0.9
132.10190	13.9
134.99686	1.2
136.07581	1.2
137.05988	1.0
143.11786	38.0
145.02866	0.9
146.99591	1.1
147.04424	1.5
149.02330	2.3
153.01834	2.4
157.09731	12.7
157.13364	7.0
170.09673	0.8
171.02901	0.9
171.11263	9.4
175.11862	0.9
177.00681	0.9
177.05420	1.8
185.12856	1.8
189.12344	13.9
208.88710	0.9
215.06927	2.3
219.01651	0.8
223.06548	0.9
224.13017	0.9
228.10872	1.0
229.07228	1.0
237.02803	0.9
243.06609	1.1
243.17058	1.1
269.03256	1.9
271.10843	0.9
271.14511	1.1
288.05908	4.0
288.10086	1.0
288.17252	1.7
288.20154	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Retinol
Peak:m/z	Relative Intensity
51.02364	1.1
53.03942	1.1
55.05511	5.5
56.96553	3.4
57.07074	1.4
59.04955	0.9
65.03925	0.9
67.01866	7.8
67.05500	9.5
67.08334	0.7
68.99776	2.7
69.03409	3.2
69.07065	9.9
70.33071	3.5
71.04990	7.1
71.08604	0.8
74.21655	0.9
78.45380	0.8
79.05492	11.7
81.03368	1.3
81.07053	25.7
83.08632	4.4
85.06532	1.8
87.61255	0.9
91.05477	12.2
92.51101	0.8
93.07040	22.4
95.04962	2.7
95.08604	25.1
97.02873	1.7
97.06557	4.8
99.08099	2.1
103.05453	2.4
104.74534	0.9
105.07027	32.0
107.08588	26.1
109.06485	2.9
109.09463	1.0
109.10153	15.3
113.09663	2.0
115.05450	2.0
116.07124	0.9
116.98608	3.0
117.07001	8.7
118.04150	2.2
119.08584	32.8
121.06522	4.2
121.10131	12.5
123.08023	1.4
123.11663	4.5
125.09579	1.5
127.11179	2.4
128.06154	1.9
129.06978	3.9
130.07726	2.5
131.08560	19.2
133.06479	18.7
133.10101	15.9
135.04402	1.0
135.08055	5.0
135.11700	5.4
137.05936	1.1
137.09595	1.2
141.07062	0.9
142.07732	1.7
143.08574	9.7
144.09308	3.0
145.10115	36.6
146.10837	1.0
147.11674	13.7
149.13248	3.5
153.01820	100.0
154.02127	2.4
156.09280	1.6
157.10118	13.0
158.10881	1.8
159.11690	28.7
160.12376	0.9
161.05969	39.5
161.13268	9.2
162.06325	1.8
163.14845	1.9
165.12706	0.8
170.10831	1.3
171.02882	31.2
171.11690	10.0
171.41850	0.9
172.03188	1.2
173.13242	16.6
175.14824	3.9
179.03397	1.5
179.14297	2.2
180.38881	0.9
183.11668	1.1
185.13242	9.3
187.14810	5.3
189.16364	6.5
191.07001	5.3
191.14328	1.3
193.15875	2.1
196.97893	2.1
199.14836	14.3
201.16377	86.2
202.16710	2.2
203.17946	1.3
208.96375	1.1
213.16385	11.3
215.17998	4.1
217.15868	1.9
217.19525	0.9
227.17891	5.4
229.19469	2.0
231.17438	2.4
237.02734	1.1
241.19482	2.8
243.21332	1.0
259.24109	1.0
269.15326	1.1
269.22635	28.2
269.25562	1.6
270.23001	1.2
287.05566	4.9
287.09113	57.0
287.12662	4.2
287.16528	2.2
287.20215	2.2
287.23663	57.0
288.09451	4.3
288.24033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01841	0.7
55.05512	4.9
56.96556	1.7
57.03438	0.7
57.07075	15.5
60.05642	4.1
63.00037	0.7
67.01853	1.7
67.05492	1.7
68.99792	0.8
69.03424	2.6
69.07052	1.2
70.06593	59.8
71.04996	3.6
72.08157	7.0
73.06530	1.1
74.02432	1.3
76.45102	0.7
79.05485	2.5
81.03430	1.1
81.07046	2.3
83.04993	1.1
83.08632	3.5
84.04524	0.9
84.08123	2.6
85.02898	1.1
85.06546	12.5
86.09712	3.1
87.04430	0.7
88.07616	0.9
89.03909	0.9
91.05468	2.5
93.07063	1.2
95.04951	1.0
95.06066	1.4
95.08602	1.0
97.02896	1.1
97.06519	0.7
97.07664	0.9
98.97581	2.3
98.98474	0.7
99.04440	0.9
102.09153	1.6
103.05468	2.6
105.07012	2.2
106.02979	0.6
107.04935	2.1
107.08556	0.9
109.06493	0.7
111.04415	0.8
112.08739	15.6
113.07160	0.9
114.09180	7.1
114.10293	1.5
115.03909	0.9
115.08707	4.3
116.07092	15.4
116.98610	1.3
117.03395	1.2
119.04940	0.7
119.08581	1.7
121.06522	2.4
121.10181	1.4
124.03960	4.5
125.04305	3.4
125.07082	1.0
127.03906	0.7
128.10725	0.9
129.09250	0.8
129.10187	0.7
129.11322	0.7
130.06528	0.7
130.09735	2.4
131.04939	1.4
131.08604	1.0
133.06525	0.8
133.12572	0.7
134.99620	1.6
135.04404	5.5
135.08037	2.8
137.02353	1.0
137.05975	4.2
137.83012	0.7
145.10138	0.7
146.99603	0.6
147.04424	0.6
147.07932	0.6
149.06006	3.6
151.07523	2.7
152.06180	2.3
153.00691	1.1
153.01819	10.8
153.06938	0.6
158.09293	4.8
158.99667	0.9
161.02281	0.9
163.07515	5.7
165.06981	1.9
165.09120	0.8
166.07785	1.7
167.07195	1.0
167.08554	7.6
169.06384	1.0
171.02916	2.2
175.11896	4.8
177.00667	1.1
177.06937	0.7
182.11778	0.8
183.14906	0.8
184.13388	3.2
187.04362	0.7
187.06055	1.7
194.07239	0.9
195.08069	10.5
197.05972	1.6
200.12827	1.0
201.00581	0.8
209.09625	1.0
211.07532	0.8
212.08350	1.8
213.05345	0.7
214.06815	1.1
223.07491	2.5
227.10661	11.6
227.13930	2.7
228.12363	7.0
229.25537	0.7
237.02695	0.9
240.07799	0.7
241.05023	1.7
241.07224	0.9
241.16602	0.9
243.18155	1.2
252.13391	0.8
255.10158	9.4
256.10687	1.0
269.04483	0.9
270.14578	1.2
287.05511	100.0
287.12701	5.9
287.17145	75.6
288.05804	7.2
288.17572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
53.03948	2.9
54.59864	2.1
55.05505	11.7
56.96561	11.7
57.07063	4.4
59.04981	3.6
63.00048	2.4
65.03925	2.5
67.05501	18.1
69.03427	5.0
69.07060	13.0
69.45531	15.9
69.45953	5.8
71.04990	3.7
79.05495	17.5
81.07056	24.4
83.04999	3.8
83.08601	5.1
85.06528	3.7
91.05466	21.4
93.07056	27.0
95.04968	24.1
95.08608	24.0
97.06537	12.1
98.20778	5.6
98.97629	2.9
105.07033	28.3
107.08584	38.2
109.06490	11.2
109.10161	12.0
111.08067	4.3
115.05435	3.1
116.98610	4.8
117.07005	8.7
119.08577	34.2
121.06500	4.8
121.10148	26.3
123.08051	6.4
123.11687	4.2
129.07010	12.1
130.07828	2.8
130.28659	2.2
130.32742	2.5
130.50781	2.5
131.08580	31.0
133.10135	25.2
134.99666	5.2
135.08080	9.6
135.11678	8.4
137.05956	3.1
137.09637	5.3
141.06934	3.0
142.07820	9.8
143.08565	23.7
144.09364	6.0
145.10112	27.8
146.10846	2.7
147.08043	6.3
147.11674	11.9
149.09653	11.1
149.13278	3.7
154.07837	2.6
155.08534	7.0
156.09354	14.0
157.10133	30.0
158.10909	10.3
159.08075	3.3
159.11688	27.3
161.09625	9.4
161.13239	8.9
165.07112	2.7
167.08600	2.8
168.09476	4.0
169.10164	9.7
170.10925	12.5
171.08096	2.6
171.11699	23.8
173.09682	6.1
173.13283	27.8
174.97299	3.6
175.11220	7.3
175.14888	4.1
180.09236	3.1
183.11702	7.2
184.12328	3.2
185.09673	3.0
185.13251	24.6
186.14079	5.4
187.11224	8.0
187.14781	15.8
189.12843	7.4
190.95398	9.8
191.07027	7.8
191.14340	5.9
195.11690	10.2
197.13275	3.5
198.10448	4.2
199.11160	6.0
199.14726	6.6
201.16415	6.6
203.14320	8.6
208.96460	5.6
209.13274	6.0
211.14772	9.1
213.12724	19.5
213.16245	4.1
217.15871	2.6
225.16205	4.3
227.14308	8.2
227.17964	5.2
229.15916	8.7
231.13838	11.6
232.96359	4.4
241.19603	6.3
250.97557	6.3
251.17894	5.3
269.19037	44.6
287.05588	16.0
287.13083	6.0
287.16681	4.9
287.20081	100.0
287.23557	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	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00781	1.6
53.03955	2.6
55.01868	3.0
55.05508	3.0
56.96563	5.2
57.03437	4.2
57.07071	3.8
57.35203	1.3
65.03953	1.3
67.05501	5.9
69.03427	14.5
69.07066	5.2
70.06588	10.3
71.04996	5.5
71.59111	2.0
72.08155	2.8
73.37141	1.4
79.05491	16.7
81.03414	5.7
81.07054	8.5
83.04990	4.4
84.08150	3.9
85.02899	5.3
85.06548	3.0
86.09671	3.0
86.27864	1.4
89.03883	1.6
91.05478	14.3
93.07027	8.4
95.04980	12.9
95.08609	3.9
96.58627	1.4
97.02885	2.8
97.06532	5.6
98.97572	4.9
98.98436	1.5
99.04441	3.5
103.05460	9.6
105.07021	13.2
107.04952	62.0
107.08595	5.7
109.02864	2.0
109.06530	6.2
111.04416	2.0
111.08076	1.6
112.08789	2.1
114.09179	5.7
115.05436	3.2
116.07084	1.9
116.98604	4.1
117.07054	3.6
119.08614	3.5
120.05691	2.9
120.55630	1.4
121.06529	6.5
121.10120	5.2
122.03619	2.2
123.04417	4.1
123.08056	3.6
124.03949	5.7
124.05220	4.4
125.04297	4.8
125.06002	4.9
129.10187	2.2
131.04933	4.0
131.08583	3.3
133.06509	3.3
133.10106	2.5
134.99678	4.2
135.04417	2.2
135.08040	22.6
135.11737	2.0
136.07507	1.7
137.05975	12.7
143.06978	2.5
143.08531	2.8
145.06490	3.0
145.10112	8.4
149.05968	4.4
151.04002	2.5
151.07564	5.5
152.06218	3.6
153.01797	3.9
154.06255	3.1
159.11751	3.0
161.01254	2.6
161.05943	1.7
161.09589	1.6
162.05470	2.2
163.07539	39.9
165.05524	1.6
165.07039	3.7
165.09117	2.0
166.07822	1.9
167.07056	100.0
167.08543	12.4
171.02948	1.7
174.08693	2.7
177.00719	3.2
177.06926	2.4
177.09183	1.6
180.07800	3.8
187.11195	4.1
191.10619	3.1
193.08662	2.5
194.07404	1.4
195.08095	14.6
195.10184	29.6
197.05940	2.1
204.80402	1.6
205.12257	3.0
209.09787	1.9
209.11725	3.5
211.07565	2.0
211.09668	3.0
212.08191	2.0
213.11220	30.8
215.10625	2.1
219.01787	2.0
223.07600	5.3
227.10600	14.7
248.78680	1.7
255.10143	15.5
269.12891	6.4
269.15567	1.5
287.05518	48.1
287.09534	4.9
287.13190	8.7
287.17072	8.7
287.20126	2.9
288.05994	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
68.57834	0.5
69.03442	0.5
69.07044	0.6
70.06584	0.9
70.78317	1.1
72.08141	1.4
84.08122	1.5
85.02886	1.1
85.06525	1.7
86.09727	0.9
86.83279	0.5
89.07514	0.4
96.05563	0.5
97.02901	0.6
107.06729	0.5
110.05971	0.7
114.70100	0.5
119.01881	0.6
124.03909	0.9
126.07771	1.7
127.06118	0.9
128.64104	0.5
129.10344	0.5
131.01901	0.6
136.06224	0.5
137.04576	2.1
138.04962	0.9
139.06087	0.6
145.03439	0.9
145.20461	0.5
154.07208	4.9
155.05688	1.0
155.07616	4.1
156.08737	1.1
173.02979	1.2
183.93152	0.5
185.06628	0.6
188.03258	0.5
193.51909	0.5
215.07660	0.5
219.05333	0.6
221.05026	5.1
231.12195	0.5
287.11017	100.0
288.11224	1.1
304.91428	0.5
305.10944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36657	0.7
54.08476	0.6
56.96550	1.8
57.26560	0.7
62.46560	0.8
70.06574	3.0
70.85607	1.2
70.85945	1.8
84.08131	1.8
86.09685	1.7
90.23923	0.8
97.02891	0.9
101.00907	0.8
112.07577	1.1
113.07925	1.4
119.01938	4.7
123.00018	0.9
123.39203	0.8
137.02951	1.5
141.07381	1.0
143.01904	6.2
143.21689	0.8
154.07272	1.0
155.07628	1.2
161.02959	10.9
163.78943	0.7
203.03967	1.2
221.05069	1.5
266.14066	0.8
287.11008	100.0
288.11322	2.1
288.14380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01870	2.1
55.05494	2.3
56.96552	3.9
57.03421	1.9
57.07067	6.0
60.05626	2.2
65.03919	1.1
67.05500	2.9
69.03412	3.8
69.07056	3.4
69.51398	7.4
70.06588	24.9
71.04978	1.8
72.08158	5.2
78.04697	1.6
79.05492	12.0
81.03400	1.9
81.07039	5.4
83.04964	1.3
84.04502	9.3
84.08126	3.7
85.02892	1.9
85.06532	4.6
86.06071	4.8
86.09695	5.1
88.04019	1.4
91.05469	8.3
93.07052	2.3
95.04978	5.3
95.08609	5.3
97.02875	3.4
97.21522	0.9
98.97568	3.4
98.98481	1.0
101.07151	1.3
103.05472	14.5
105.03348	1.3
105.07038	8.7
105.41700	0.9
107.04954	51.5
107.08549	1.1
109.06505	2.5
110.03638	1.5
110.07150	1.5
111.04423	1.2
111.05550	1.2
112.08713	4.8
114.05498	2.0
114.09138	3.0
115.05450	3.4
115.08721	2.1
116.07094	4.1
116.98603	2.8
117.06999	3.1
119.08553	1.4
120.05749	2.4
121.02888	1.5
121.06497	4.1
121.10140	1.2
123.04431	3.6
123.08050	3.3
124.03931	3.1
124.05225	3.1
125.04290	3.4
125.05990	13.1
126.05479	1.2
128.08205	4.1
128.10681	1.2
129.06586	1.2
129.10239	2.8
130.04990	9.5
130.06516	2.2
131.00125	1.1
131.04906	5.1
133.06514	1.3
134.99643	2.5
135.04448	1.7
135.08046	18.5
137.02324	1.1
137.05963	8.2
139.02383	1.1
140.10674	1.4
145.06525	1.7
145.07605	1.6
145.10138	1.3
147.04378	1.1
148.05185	1.1
149.05981	6.4
149.91541	1.0
150.06754	1.7
151.07550	3.1
152.04692	1.7
152.06192	3.7
153.01819	3.7
153.05525	0.9
153.13805	2.3
154.06255	1.8
158.09297	2.5
158.99608	1.3
163.07547	41.3
165.05573	1.0
165.06989	2.7
165.09084	2.1
166.07738	2.5
167.07056	100.0
167.08549	10.4
169.06378	1.3
171.08109	1.0
174.07266	1.5
174.08722	11.1
175.11903	1.5
177.00731	1.8
177.06902	2.3
180.07790	2.9
181.06445	1.8
181.10004	1.3
181.13358	3.5
182.11792	2.1
183.08138	1.1
185.09666	1.1
190.95447	1.1
191.10712	1.5
193.08603	2.8
194.07201	1.2
195.08072	13.9
195.10156	32.8
196.08893	0.9
197.05972	3.8
198.06618	1.4
201.00694	1.0
209.05927	0.9
209.09587	1.5
211.07716	1.3
211.09607	4.2
212.08353	3.4
213.11194	29.5
219.01813	1.3
223.07446	4.2
227.10689	15.5
227.13922	6.0
228.12308	3.0
237.02838	1.7
241.05003	1.0
241.07224	2.9
253.35927	1.0
255.10136	12.6
259.13116	1.0
262.69556	1.0
267.03748	1.1
287.05487	39.4
287.09491	3.6
287.12347	8.0
287.17130	35.3
287.20364	2.2
288.05786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.60742	0.1
55.05501	0.4
55.76655	0.1
56.96551	0.4
57.12936	0.1
60.85442	0.1
63.00040	0.2
67.01860	1.4
67.05486	0.6
68.99781	1.0
69.03396	0.3
69.07048	0.5
69.96766	0.5
71.04979	0.2
79.05485	0.8
81.07044	1.1
83.04966	0.2
83.08598	0.3
85.02891	0.1
89.03925	0.8
91.05486	0.4
93.07047	0.7
95.04957	0.3
95.08602	0.9
97.06526	0.6
98.20798	0.2
98.97597	0.2
102.83385	0.1
105.07034	0.9
105.65343	0.1
107.04922	0.2
107.08577	0.7
109.06551	0.1
109.10149	0.6
111.00766	0.3
111.04369	0.2
115.05386	0.1
116.98617	0.3
117.03375	0.7
117.07014	0.3
119.08570	1.1
121.06550	0.2
121.10138	0.4
123.08096	0.2
123.11679	0.3
125.09605	0.1
127.11170	0.1
129.01839	0.4
129.06998	0.2
131.08563	0.4
133.10118	0.7
135.04414	4.2
135.11661	0.4
137.02338	1.2
143.03410	0.2
143.08536	0.3
145.06442	0.2
145.10086	0.6
147.04440	0.2
147.11681	0.4
153.01826	9.6
157.06435	0.3
157.10100	0.4
159.11713	0.7
161.02322	1.3
161.13248	0.3
168.94238	0.1
171.02893	1.6
171.04337	0.2
171.11717	0.3
173.13309	0.3
175.11130	0.2
179.03407	0.5
185.05995	0.3
185.09550	0.2
185.13226	0.2
190.95395	0.2
191.06978	0.4
191.10603	0.1
199.14818	0.3
201.16437	0.8
203.03394	0.3
213.05461	0.5
213.16386	0.3
221.91072	0.1
231.06505	0.2
241.04980	1.3
241.16066	0.2
245.04399	0.2
259.05927	0.3
269.04517	0.9
269.22574	0.5
287.05487	100.0
287.23651	1.3
288.05817	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.70566	0.2
55.01863	0.3
55.05508	0.3
55.35672	0.2
65.03938	0.3
67.01854	0.8
67.05490	0.8
68.99789	2.1
69.03423	0.5
69.07056	0.6
70.77089	0.4
70.77448	0.5
79.05478	1.2
81.03400	0.3
81.07040	1.1
83.08601	0.3
85.02882	0.2
91.05472	1.0
93.07037	0.6
95.04956	0.7
95.08601	0.9
97.60896	0.3
103.05450	0.2
105.03378	0.8
105.07027	1.5
107.04963	1.4
107.08591	0.6
109.02869	1.0
109.10143	0.5
111.00807	1.4
111.04411	0.6
111.08072	0.2
113.00064	0.2
117.07009	0.3
119.04958	0.3
119.08595	0.6
121.02868	6.8
121.10105	0.5
123.11658	0.2
127.03874	0.4
128.06247	0.5
129.06995	0.7
131.08565	0.4
133.02840	1.0
133.10109	0.4
135.04419	0.5
137.02368	2.2
141.07008	0.5
143.08571	0.7
145.06476	0.9
145.10094	0.5
147.04393	1.5
147.11659	0.2
153.01828	11.5
157.06480	1.5
157.10210	0.3
159.11667	0.3
161.05997	0.6
165.01846	3.2
169.10126	0.3
171.02969	0.2
171.04419	0.8
171.11702	0.7
173.13278	0.3
183.02878	1.8
183.11713	0.3
185.06000	0.8
197.05995	0.3
199.11154	0.9
200.10727	0.3
203.03314	0.3
203.07021	0.3
213.05479	3.3
216.04318	0.2
229.04869	0.6
231.06522	0.9
241.05023	1.5
245.12753	0.6
258.05194	3.0
259.05954	0.8
269.04428	0.4
269.13132	0.3
286.04532	0.3
287.05499	100.0
287.23734	1.1
288.05838	2.8
305.14923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91132	0.1
53.03929	0.2
55.01870	0.9
55.05492	0.4
56.02915	0.1
56.96548	0.3
57.03471	0.1
65.03921	0.3
67.01853	0.4
67.05513	0.9
68.99434	0.2
68.99790	2.3
69.03408	0.4
69.07047	0.2
70.66251	0.2
70.66592	0.2
71.04999	0.6
79.05110	0.1
79.05495	0.9
81.02971	0.1
81.03410	0.5
81.07053	0.6
83.04963	0.2
83.08602	0.2
85.02890	0.2
85.06540	0.2
87.04463	0.2
91.05470	0.6
93.07024	0.4
95.04955	0.5
95.08595	0.4
97.02900	0.2
97.06534	3.5
97.10151	0.2
98.97575	0.3
100.61276	0.1
103.05436	0.2
105.03370	0.9
105.07012	0.4
107.04967	1.3
107.08619	0.2
109.02878	0.9
109.10158	0.5
111.00817	1.6
111.04449	0.8
115.05445	0.2
116.98637	0.3
117.07026	0.4
119.04953	0.2
119.08550	0.3
121.02869	6.5
121.06458	0.2
121.10143	0.2
121.42097	0.1
123.04388	0.1
127.03906	0.3
128.06218	0.2
128.10724	0.7
128.83649	0.1
129.07028	0.6
131.02008	0.1
131.04941	0.2
131.08548	0.2
133.02841	1.0
133.06589	0.1
133.10132	0.2
135.04433	0.7
135.08054	0.2
135.11659	0.1
137.02339	2.2
137.09583	0.1
139.05437	0.2
141.06995	0.2
145.06512	0.6
145.10062	0.2
147.04416	1.2
149.13292	0.1
151.03931	0.1
153.01828	11.1
154.02097	0.2
157.06502	1.5
159.11646	0.2
161.05986	0.4
165.01837	3.8
167.08560	0.2
171.02974	0.2
171.04373	0.8
175.03920	0.2
177.00705	0.2
179.03342	0.2
183.02902	1.9
184.05145	0.2
184.06653	0.1
185.05994	1.1
189.05490	0.3
195.08095	0.1
195.13797	1.3
197.05974	0.3
199.03899	0.2
201.05414	0.1
203.03349	0.2
203.07062	0.3
211.07643	0.1
212.04630	0.2
213.05472	3.2
213.14824	0.2
216.04163	0.3
217.04927	0.2
219.70865	0.1
229.04932	0.6
231.06519	1.5
241.04950	1.5
243.06514	0.1
255.10075	0.1
258.05206	2.1
259.05960	0.9
269.04440	0.3
269.08231	0.1
269.17447	0.2
286.04507	0.2
286.27362	0.3
287.05496	100.0
288.02896	0.2
288.05847	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.1
54.90437	0.1
55.01860	0.1
67.01524	0.1
67.01863	1.8
67.05490	0.2
68.99429	0.1
68.99786	1.6
69.00163	0.1
69.03419	0.1
69.28825	0.2
69.29247	0.4
79.05493	0.4
81.03413	0.2
81.07040	0.1
82.62790	0.1
85.02875	0.1
89.03916	0.8
91.01854	0.1
91.05475	0.1
93.07044	0.1
95.04956	0.2
95.08599	0.1
97.02863	0.1
97.06524	0.1
98.97602	0.1
105.06903	0.1
107.04948	0.4
107.51569	0.1
109.02864	0.1
111.00822	0.3
111.04433	0.2
115.05473	0.2
117.03371	0.8
117.07040	0.1
119.04913	0.1
121.02868	0.4
121.10081	0.1
125.02346	0.2
127.03906	0.1
128.06174	0.1
129.01828	0.4
129.06984	0.2
131.04878	0.1
133.02821	0.1
135.04408	4.8
137.02333	1.5
137.03369	0.1
139.05429	0.2
139.25134	0.1
141.06976	0.1
145.06499	0.1
147.04420	0.2
151.03973	0.1
153.01820	11.4
154.02213	0.1
157.06493	0.3
161.02335	1.2
161.05927	0.1
165.01810	0.2
167.04886	0.1
167.08571	0.1
171.02905	1.5
171.04401	0.2
175.07414	0.1
179.03346	0.5
185.05934	0.5
189.05522	0.1
195.04362	0.1
195.08104	0.1
199.03877	0.2
203.03442	0.3
213.05440	0.6
217.04918	0.1
218.05731	0.1
219.06406	0.1
227.03462	0.1
227.10760	0.1
231.06538	0.3
241.04930	1.5
243.06534	0.1
245.04472	0.2
255.10158	0.1
258.05225	0.2
259.06064	0.3
263.05563	0.2
269.04416	1.0
270.04980	0.1
286.04776	0.1
287.05475	100.0
288.05798	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01867	0.3
56.96561	0.4
65.03933	0.4
67.01859	0.6
67.05479	0.3
67.58308	0.2
68.99789	1.8
69.03434	0.2
69.42664	1.8
70.38142	0.2
71.01336	0.2
79.05492	0.2
81.07056	0.5
91.05466	1.5
93.07043	0.4
95.01335	0.9
95.04953	0.2
95.08562	0.3
105.07029	0.6
107.03844	0.2
107.04939	0.7
107.08572	0.4
108.19009	0.2
109.10162	0.3
111.04432	0.4
116.35508	0.2
116.98645	0.2
117.06977	0.2
119.04938	4.0
119.08577	0.5
121.02866	6.9
121.10146	0.2
123.00789	4.4
128.06213	0.2
129.06992	0.3
131.04860	0.3
133.02824	0.2
133.10107	0.2
135.04428	1.7
137.02328	0.7
140.69919	0.2
141.01814	1.1
145.02832	0.8
145.06468	0.3
145.10152	0.3
147.04414	0.4
147.11644	0.2
151.00314	0.3
153.01823	6.0
157.06482	1.8
157.10075	0.4
159.11743	0.3
161.02339	0.2
165.01773	0.3
169.01338	3.5
169.02786	0.4
171.02913	0.6
171.04393	0.7
171.11624	0.3
185.05966	0.9
187.02318	0.6
189.05498	0.5
213.05487	2.4
217.04918	0.6
219.06470	0.2
231.06458	0.8
241.04959	10.1
242.05606	1.0
243.06439	0.3
245.04443	2.7
258.05380	0.3
259.06030	1.8
269.04422	3.9
270.05124	0.7
271.05859	0.3
272.06436	0.2
287.05484	100.0
287.23682	0.6
288.05875	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
57.03416	0.1
60.50887	0.1
67.01862	1.7
67.05489	0.3
68.99786	1.5
69.03415	0.2
69.07062	0.2
69.28490	1.3
71.04988	0.1
72.21502	0.1
79.05477	0.6
81.03396	0.2
81.07039	0.5
83.08593	0.1
83.85248	0.1
85.02892	0.2
87.22337	0.1
89.03928	0.7
91.05470	0.3
93.07058	0.3
95.04929	0.2
95.08605	0.4
97.02907	0.2
97.06509	0.2
98.97543	0.1
105.07043	0.3
107.04937	0.8
107.08552	0.1
109.02886	0.2
109.10146	0.2
109.40927	0.1
111.00739	0.2
111.04459	0.2
115.05399	0.1
117.03339	0.9
117.07018	0.1
119.08505	0.1
121.10116	0.1
123.08092	0.1
125.02343	0.1
125.09665	0.1
127.03950	0.1
128.06213	0.2
129.01846	0.3
129.07002	0.2
131.08557	0.1
133.10100	0.2
135.04411	4.4
135.11705	0.1
136.07542	0.2
137.02332	1.4
139.05434	0.2
143.08556	0.1
145.10013	0.2
147.04317	0.1
153.01822	11.0
157.06480	0.1
157.10141	0.2
158.85722	0.1
159.11636	0.2
161.02324	1.5
164.07043	0.2
169.31680	0.1
171.02885	2.2
171.04312	0.2
175.07712	0.1
179.03394	0.6
181.09999	0.1
184.05220	0.1
185.05908	0.5
198.14787	0.1
203.03392	0.2
213.05440	0.8
219.06474	0.3
223.04984	0.1
231.06383	0.2
241.04922	1.6
245.04482	0.3
249.24297	0.1
255.06296	0.2
258.05167	0.1
259.05862	0.3
268.25342	0.3
269.04388	0.7
269.25516	0.1
270.11148	0.2
287.05478	100.0
288.05771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.05490	0.1
56.96550	0.3
58.33668	0.1
66.10061	0.1
67.01531	0.1
67.01862	1.6
67.05515	0.2
68.99439	0.1
68.99787	1.7
69.03444	0.2
69.07063	0.1
70.19762	0.2
70.20165	0.2
71.04977	0.1
72.08141	0.3
79.05484	0.5
81.03404	0.2
81.07021	0.2
84.08132	0.2
85.02882	0.2
86.09698	0.2
87.04477	0.1
89.03909	0.7
91.05456	0.3
93.07058	0.2
95.04999	0.1
95.08602	0.2
97.02882	0.2
97.06508	0.1
98.20779	0.1
98.97570	0.3
105.07024	0.1
105.40147	0.1
107.04975	0.4
107.08583	0.1
109.02885	0.2
109.10110	0.1
111.00778	0.3
111.04454	0.1
111.08093	0.1
115.05507	0.1
116.98582	0.2
117.03388	0.6
117.06865	0.1
119.08469	0.1
121.02888	0.1
121.10138	0.2
123.08034	0.1
125.02386	0.2
127.03910	0.2
128.06209	0.1
129.01848	0.5
129.07011	0.2
131.08524	0.1
134.99609	0.2
135.04413	4.2
137.02338	1.3
137.03384	0.1
137.06004	0.1
139.05423	0.2
143.03377	0.1
145.10068	0.1
147.04411	0.1
149.02315	0.1
149.05922	0.1
151.03874	0.1
153.01819	10.1
157.06448	0.1
161.01154	0.1
161.02325	1.7
161.05966	0.1
163.07539	0.1
166.34956	0.1
167.04930	0.1
167.08511	0.2
169.06575	0.1
171.02901	2.4
171.04385	0.2
177.00737	0.2
179.03374	0.6
185.05980	0.4
195.08072	0.2
197.06052	0.1
199.03891	0.2
201.05264	0.1
203.03326	0.3
211.39227	0.1
213.05550	0.4
218.05782	0.1
219.01747	0.1
219.06438	0.3
227.10629	0.3
231.06551	0.2
237.02815	0.2
241.04961	1.4
245.04395	0.3
255.10242	0.1
259.05807	0.5
263.05457	0.1
269.04434	0.7
287.05475	100.0
288.05832	2.2
288.08777	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01888	0.1
56.96565	0.1
60.34390	0.1
61.37003	0.1
67.01521	0.1
67.01868	1.7
68.99429	0.1
68.99796	1.5
69.00166	0.1
69.03422	0.2
70.89450	0.2
79.05486	0.3
81.03407	0.1
85.02913	0.1
89.03923	0.8
91.01871	0.1
95.04967	0.2
97.02892	0.1
107.01358	0.1
107.04954	0.4
109.02894	0.1
111.00797	0.2
111.04433	0.1
115.05421	0.1
117.03387	0.9
125.02381	0.1
127.03914	0.1
128.06221	0.1
129.01828	0.4
129.07028	0.1
131.04939	0.1
135.04424	5.0
137.02347	1.3
137.06006	0.1
139.05443	0.3
145.06473	0.1
147.04436	0.1
149.91916	0.1
153.01834	12.3
154.02234	0.1
155.04884	0.1
157.06508	0.3
161.02351	1.4
167.04926	0.1
167.08633	0.1
168.51947	0.1
171.02908	1.4
171.04395	0.2
173.06029	0.1
179.03406	0.6
184.05222	0.1
185.05916	0.4
186.75954	0.1
189.05496	0.1
195.04396	0.1
195.08124	0.1
199.03957	0.2
203.03441	0.3
203.07060	0.1
212.08264	0.1
213.05472	0.6
217.04999	0.1
219.06516	0.1
223.03899	0.1
223.07558	0.1
227.03358	0.1
227.10684	0.2
230.05289	0.1
231.06503	0.2
237.09390	0.1
241.04953	1.7
245.04471	0.2
255.10196	0.1
258.05316	0.1
259.05878	0.3
263.05603	0.2
269.04446	0.9
286.04657	0.1
287.05502	100.0
288.05841	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2739
Annotation	D-erythro-Sphingosine C-17
Peak:m/z	Relative Intensity
52.89186	0.4
53.03944	0.9
55.05513	6.7
56.05017	0.5
56.96561	0.7
57.03424	0.6
57.07065	1.3
58.06348	0.7
58.06602	9.1
60.61251	0.5
67.05503	16.0
69.07066	5.1
71.08630	0.6
71.51728	0.7
71.52069	0.6
72.08154	1.4
79.05490	4.9
81.03403	1.9
81.07055	15.7
82.03738	1.1
82.33002	0.5
83.04984	0.6
83.08612	2.9
84.08914	0.5
85.02887	0.7
85.06533	2.5
91.05489	1.1
93.07038	5.7
95.04981	1.0
95.08604	14.4
97.02899	0.5
97.10157	1.3
98.09694	8.3
98.97585	0.6
105.07036	1.1
106.07355	0.6
107.04966	0.5
107.08601	4.1
109.06451	0.7
109.10152	5.3
119.08597	0.8
121.10155	3.3
123.11720	1.2
135.11685	1.8
139.39178	0.4
143.08482	0.5
149.13217	0.8
163.14796	0.8
180.17500	0.8
193.12199	0.7
194.12555	1.9
198.18471	0.8
212.13512	0.9
212.20081	1.3
224.23750	0.9
250.25313	10.5
268.26361	31.1
269.26755	0.9
286.27393	100.0
287.05496	5.4
287.27554	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.1
57.03416	8.9
61.02938	11.2
69.03415	13.7
70.06576	19.0
71.59264	9.3
72.08121	6.1
73.02909	11.3
81.03422	7.3
83.86368	4.7
84.08126	22.8
85.02894	23.4
86.09695	6.6
94.92984	12.2
97.02879	10.4
103.36000	5.7
104.10751	60.4
110.07182	15.8
110.55274	5.8
114.05499	7.0
119.01892	21.8
120.01991	5.0
124.03949	8.5
125.04261	6.6
127.03912	5.6
131.01869	12.9
136.93987	12.8
145.03427	11.5
145.04947	7.3
149.02869	6.7
150.95564	47.3
155.01843	5.9
161.02992	12.0
162.03275	4.5
164.18118	5.1
166.95099	6.9
173.02931	12.0
175.04485	6.7
176.93492	100.0
178.95078	14.6
179.03716	6.1
183.05048	5.8
184.06401	27.9
186.07603	31.9
186.09467	11.1
188.93550	24.2
193.05725	5.2
200.04524	8.8
203.03973	8.5
227.03888	5.7
268.98120	15.2
270.01273	23.4
286.99240	15.0
287.05579	16.1
287.12430	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	286.2376
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.05513	4.1
56.96561	7.4
57.07075	33.1
67.05499	9.7
69.07062	6.6
69.46744	16.8
71.08628	26.1
76.04004	100.0
81.07047	11.3
83.08609	3.4
85.10187	10.7
92.20792	1.7
95.08601	17.5
97.10176	3.2
97.75570	2.0
109.10164	6.7
111.11773	3.4
123.11754	3.3
129.15585	1.8
137.02284	2.1
140.07797	1.9
151.36131	2.1
153.01781	4.5
154.64598	1.9
181.03447	5.2
199.04475	9.1
211.20584	6.1
211.68839	2.3
218.76384	1.8
241.00217	4.6
278.12589	2.1
286.30988	19.1
287.05505	46.9
287.19992	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
56.05026	1.9
56.96564	0.8
57.03429	1.8
59.04993	2.4
61.02925	5.1
68.05029	1.0
70.06586	13.8
70.71904	2.2
71.04987	4.3
72.08161	1.5
74.87590	0.6
79.05477	1.7
80.05019	0.6
81.04539	1.6
81.07052	11.7
82.05331	2.5
82.06528	0.6
83.06103	10.5
84.04527	0.7
84.08128	1.1
86.09692	0.9
87.08095	1.1
91.49291	0.8
92.07728	0.7
93.04519	6.0
95.05495	1.1
95.06093	15.5
97.02907	1.1
99.08047	0.8
106.02875	1.1
107.06095	2.4
109.05130	2.1
110.07163	100.0
111.05569	1.5
111.07489	0.9
112.07599	13.5
112.08751	1.6
116.07079	1.3
119.06078	1.1
121.03976	0.6
121.07647	1.9
124.03952	15.7
124.07570	0.6
126.07752	4.0
127.06110	1.0
136.06177	2.5
137.04585	6.1
138.06656	0.7
138.07686	1.1
139.05045	0.7
139.35600	0.6
140.07054	4.7
146.09642	0.8
153.04033	1.2
154.04448	0.9
154.07227	15.9
155.05533	0.7
156.07683	14.8
156.08899	1.3
163.03862	0.7
163.12299	55.3
166.06097	2.2
185.09215	2.7
190.13402	8.4
193.13315	0.9
196.08434	0.8
208.14433	12.6
209.12813	0.9
212.15118	1.0
219.11287	1.8
234.81476	0.7
236.13933	9.6
240.17070	8.6
241.15382	0.8
254.15004	22.3
268.10184	1.0
268.16577	0.6
286.08868	3.5
286.11682	2.5
286.17599	76.0
287.11063	3.9
287.17834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07188	0.7
57.03413	3.1
60.21788	0.7
61.02912	1.1
69.03412	1.3
70.06566	2.5
71.01350	0.8
71.56402	1.4
72.08130	1.6
73.02902	1.6
81.07072	0.9
82.04041	1.9
83.06077	0.8
84.05595	1.0
85.02861	1.7
93.04522	0.8
94.04070	1.1
95.06052	1.3
96.04496	1.1
97.02885	1.6
106.96488	0.8
109.05126	11.7
110.03541	1.9
110.07156	10.5
110.42722	0.8
112.05077	3.2
116.07069	1.7
119.03565	1.1
121.05122	2.0
124.03960	24.6
125.04584	1.2
125.07012	0.7
126.05406	0.7
126.06822	1.4
126.07764	24.1
127.06147	5.0
133.05002	2.0
136.06192	9.7
137.04588	32.6
137.06911	0.9
138.07715	6.4
140.07129	0.8
150.07729	1.3
154.07237	100.0
155.05688	1.3
155.07625	0.9
156.07651	1.4
163.12294	5.0
166.07268	1.3
168.08742	1.0
169.38318	0.7
178.07315	1.8
185.09203	1.4
185.48930	0.8
186.07736	0.9
190.13440	1.0
196.08334	1.9
204.08817	1.9
208.14528	1.2
220.08397	0.8
226.09369	1.5
236.14000	1.0
242.65701	0.8
250.09378	2.1
254.15047	1.8
258.11978	1.7
268.10437	4.3
286.06168	1.1
286.11560	24.5
286.17612	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	286.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
56.05051	0.2
56.96552	0.2
57.03422	0.3
69.03425	0.8
70.06597	1.9
70.98727	0.3
70.99055	0.3
78.03466	1.2
80.05019	3.2
81.03416	0.6
85.02898	2.1
86.09689	0.6
96.04499	2.1
97.02897	0.8
98.17205	0.2
99.04465	0.4
106.02914	6.5
109.02883	0.9
109.94471	0.2
115.43102	0.2
123.74877	0.2
124.03951	100.0
125.04309	0.4
127.03934	0.9
141.10274	0.3
149.97430	0.2
185.09247	0.7
208.05986	0.3
215.13919	0.6
250.07124	2.1
251.65199	0.2
268.08047	1.4
286.09207	30.3
287.09320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0921
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
50.62192	0.2
53.03938	0.3
56.96571	0.3
69.03422	1.3
70.06588	1.3
70.77097	0.4
70.77472	0.4
71.04981	0.2
72.08150	0.6
73.02920	0.4
73.96573	0.2
74.96651	0.3
78.03457	1.7
80.05018	3.6
81.03431	1.8
85.02905	3.9
86.09698	0.3
96.04493	2.9
97.02888	0.9
99.04453	0.5
106.02911	11.6
109.02908	1.2
116.07121	0.7
124.03954	100.0
125.04317	0.5
127.03912	1.6
134.97382	0.2
172.03990	0.2
222.33742	0.3
250.07120	3.8
268.08157	2.1
286.09216	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	285.2423
Annotation	Tanikolide
Peak:m/z	Relative Intensity
55.05511	12.3
55.05761	2.6
55.06027	1.5
56.96548	1.9
57.03437	24.9
57.07077	64.2
59.16454	1.5
67.05505	18.7
69.07070	21.9
71.08631	44.0
71.08999	3.4
71.59396	2.2
71.78073	1.9
72.08141	2.5
79.05485	3.0
81.07064	25.0
83.04965	2.2
83.08617	9.0
85.06556	1.9
85.10180	24.9
89.06015	2.8
91.05491	3.7
93.07024	3.4
95.08610	33.2
97.06498	1.8
97.10189	8.2
105.07046	3.2
107.08623	2.3
109.10169	12.4
111.11740	3.4
119.08588	4.9
121.06483	1.7
123.11691	3.8
131.08548	3.0
133.10168	2.7
171.11699	2.7
172.95282	2.5
181.04971	19.3
190.96277	2.1
211.20575	7.8
227.66391	1.8
229.21643	7.5
270.24210	2.9
282.11728	1.9
285.07779	3.5
285.11243	4.0
285.24286	100.0
285.29797	7.0
286.31082	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	285.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	34.8
56.96557	15.9
57.03442	14.5
57.06839	9.4
57.07078	70.6
67.05502	51.5
69.03424	12.3
69.07062	62.4
69.93005	39.5
71.04989	46.3
71.08630	10.0
79.05502	24.2
81.03410	26.8
81.07053	100.0
83.05026	8.6
83.08624	59.0
85.02937	12.4
85.06551	28.7
87.10896	7.1
87.57966	6.2
88.24632	6.7
89.17017	7.8
89.32940	7.2
91.05469	23.2
92.06647	7.3
93.07040	24.9
95.04984	11.7
95.08619	84.9
96.94677	7.9
96.95361	7.4
97.02916	10.2
97.06552	8.1
97.10178	22.3
98.21466	14.4
99.08141	7.8
101.16405	8.1
105.07029	26.5
107.08614	22.2
109.10165	36.0
111.08145	9.4
111.11684	18.8
119.08559	31.7
121.10156	22.1
123.11739	16.0
133.10106	22.3
135.11708	18.3
145.10185	15.7
147.11685	23.1
149.01196	10.3
149.13202	18.3
157.10057	10.4
160.97630	8.0
161.13246	13.5
165.16444	8.1
167.02211	9.6
171.11723	7.2
175.14804	17.1
179.14311	7.7
193.12267	16.2
195.11482	8.4
204.10999	9.4
209.54211	7.2
211.13350	14.1
239.23828	10.6
249.22276	16.3
257.04404	17.9
274.10571	8.0
285.07623	29.0
285.13712	12.6
285.21921	13.0
285.25922	15.1
285.30045	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.33784	8.5
55.05503	18.7
62.50826	8.7
65.99321	8.8
67.05497	29.6
69.07066	67.4
71.04977	13.3
71.09895	9.9
71.10236	22.4
79.05492	16.9
81.07036	47.6
91.05457	33.5
93.07039	37.5
95.04971	18.0
95.08613	58.2
97.06529	16.8
105.07011	66.8
107.08591	46.0
109.06513	32.4
109.10126	31.6
118.67799	9.9
119.08566	100.0
121.06519	9.5
121.10120	29.3
123.08038	10.0
123.11707	18.7
131.08569	10.0
133.10150	50.8
135.08025	14.4
135.11664	12.3
137.09651	10.1
143.08548	12.1
145.10126	28.4
147.11670	21.6
157.10094	11.4
159.11662	18.0
161.09613	94.1
165.28671	8.9
169.10120	9.0
171.11729	16.5
175.14825	69.3
177.16418	14.8
183.11671	10.5
185.13211	11.8
197.13223	20.1
204.91757	10.7
211.14905	18.2
267.21130	20.5
285.22055	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
53.89330	1.2
55.01863	2.8
55.05510	10.8
57.03439	7.2
65.03940	1.2
67.05504	15.7
69.03426	2.8
69.07066	4.7
69.83999	1.2
70.30185	4.3
71.04983	3.0
79.05485	14.8
80.05828	1.0
81.03416	100.0
81.07057	18.4
83.04961	5.1
83.08617	23.6
85.02901	8.5
91.05480	19.9
93.07037	8.6
95.04970	27.8
95.08588	6.6
97.02876	1.7
97.06528	2.1
98.21526	1.2
98.97546	1.8
105.07030	16.4
107.04953	7.6
107.08580	7.0
109.06516	3.9
109.10162	3.0
111.04424	2.3
111.08078	12.8
113.06008	1.5
116.98583	1.9
117.07005	1.9
119.01917	1.9
119.08578	13.2
121.06548	1.1
121.10154	7.2
123.08045	1.8
129.06996	7.1
131.01845	1.2
131.08559	8.7
133.06494	2.9
133.10130	5.0
135.11710	1.5
137.09612	2.3
142.07744	2.3
143.08568	2.1
145.10112	4.1
147.08025	3.2
147.11693	9.1
149.09599	4.4
157.10136	14.2
159.11728	1.1
163.11125	1.3
165.12781	3.2
169.55017	1.2
171.11700	1.4
175.11186	16.1
193.06505	1.2
193.12231	52.1
197.13110	1.3
199.14845	2.7
211.13254	12.0
211.14964	1.2
221.04994	2.2
225.09189	1.3
226.11119	1.0
267.15909	12.2
267.21085	1.2
267.25009	2.2
285.11554	3.3
285.16992	4.9
285.22092	3.1
285.26221	3.7
303.03934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.4
55.05513	26.3
57.03437	60.7
57.07071	5.4
67.05500	37.1
69.03428	4.9
69.07061	14.8
69.62219	3.2
71.04987	9.3
71.13258	7.3
71.13596	3.7
79.05493	33.2
81.03413	97.7
81.07055	52.7
83.04985	22.0
83.08616	36.4
83.97981	3.1
85.02899	93.1
85.06506	6.3
91.05479	57.3
93.07041	33.6
95.04975	47.0
95.08601	27.4
97.02898	4.6
97.06547	6.1
97.10128	3.7
99.08052	5.0
105.07025	41.2
107.04955	6.7
107.08564	16.8
108.18033	3.3
109.06485	9.1
109.10149	10.6
111.04415	5.6
111.08065	22.8
113.06013	6.8
119.08578	32.8
121.10142	19.5
123.08038	7.7
123.11681	7.1
129.06999	15.5
131.08539	16.8
133.06473	5.9
133.10132	17.7
137.09651	5.1
142.07828	6.3
145.10107	6.7
147.08034	4.7
147.11674	24.5
149.09598	10.9
156.09386	4.0
157.10132	29.2
159.11559	3.3
165.12784	10.3
171.01439	4.7
171.11707	7.3
173.13293	4.1
175.11157	29.0
183.11693	5.6
185.13248	5.1
193.12239	100.0
211.13242	65.7
239.17996	4.2
267.16232	3.1
284.33231	4.2
284.50470	3.5
285.07639	4.1
285.16803	61.0
285.21964	8.0
285.30203	5.8
285.33490	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01842	3.2
55.05302	1.8
55.05511	21.8
56.96558	12.0
57.03437	24.3
57.07048	4.2
57.70448	1.7
59.41730	1.6
61.45896	1.6
64.48410	1.8
65.03929	3.5
67.05505	38.7
69.03423	3.1
69.07066	23.9
71.00372	4.6
71.04993	6.4
73.52213	1.5
74.47189	1.9
79.05492	26.1
81.03397	8.5
81.07055	100.0
83.04956	5.7
83.08626	13.6
85.06533	7.5
91.05478	34.4
93.07045	16.8
95.04954	7.6
95.08607	26.6
97.06520	20.6
98.97564	4.8
99.08085	4.3
105.07028	48.9
107.08585	17.2
109.06501	7.2
109.10139	6.6
111.08089	2.7
113.05982	2.5
116.98634	3.4
119.08581	35.5
121.10136	23.4
121.39404	1.8
123.08057	7.4
123.11714	27.6
127.07516	4.2
128.06296	1.8
129.06996	5.5
131.08551	8.3
133.10127	10.1
134.99606	5.0
135.08037	2.7
135.11699	2.5
137.13193	2.7
141.06981	2.9
142.07758	4.0
143.08578	3.3
145.10106	6.3
147.08061	1.9
147.11678	77.1
155.08601	2.3
157.10141	11.1
158.99515	2.2
159.07961	2.2
159.11664	6.5
161.13290	2.3
165.06929	2.5
165.12738	36.8
169.10083	6.4
171.11700	4.9
173.13184	2.0
175.11174	8.5
177.00664	3.9
178.71315	2.1
183.11641	6.7
183.13744	4.7
185.09486	2.8
185.13261	3.9
187.07578	2.2
187.11148	2.5
187.14789	2.9
189.09085	2.6
193.12244	9.0
197.13303	5.8
201.12898	1.9
211.15044	2.1
225.16447	3.0
229.14299	4.6
239.18019	2.1
241.12056	2.1
241.19508	2.3
243.06445	2.4
253.08574	2.2
257.06937	4.6
259.81738	2.0
260.57266	2.6
267.15900	4.5
267.21167	4.7
285.07489	3.2
285.11386	5.5
285.16861	34.8
285.21771	14.4
285.29578	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.75445	1.3
53.03945	4.8
55.01865	4.0
55.05508	18.9
57.03434	29.4
65.03929	2.4
66.92198	1.2
67.05501	27.1
69.03427	4.7
69.07055	8.0
69.68877	9.1
71.04989	7.2
79.05490	24.8
81.03413	100.0
81.07053	33.4
83.04971	14.6
83.08611	28.3
85.02898	49.0
85.06541	1.6
90.64205	1.4
91.05470	32.7
93.07037	19.3
95.04961	39.9
95.08607	10.7
97.02878	3.1
97.06526	5.0
97.10172	3.0
105.07030	24.1
106.57158	1.4
107.04936	8.4
107.08588	8.4
109.06522	5.4
109.10159	3.0
111.04434	3.3
111.08070	15.3
113.05978	3.6
115.05453	2.4
117.07020	3.0
119.08572	21.1
121.10149	13.8
123.08035	1.9
123.11719	3.4
125.09615	2.2
129.07011	12.6
131.08545	13.4
133.06483	3.8
133.10112	12.4
137.09628	2.7
137.62511	1.3
142.07762	3.2
147.08025	2.3
147.11661	21.8
149.09630	5.7
157.10117	14.4
158.77129	1.3
165.12764	7.9
173.29211	1.3
175.11189	23.8
175.40991	1.4
193.12233	72.3
211.13286	36.4
211.15260	2.3
229.14320	3.6
267.15869	8.5
267.25146	4.8
285.16980	31.8
285.26208	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01868	6.9
55.05514	24.7
56.96574	5.3
57.03436	34.1
57.07079	1.9
65.03934	3.9
67.05505	38.4
69.03422	5.6
69.07064	10.9
70.06612	1.7
71.04998	10.3
71.33342	1.4
71.60024	3.0
75.00768	1.4
77.03942	1.5
79.05492	38.1
79.05956	1.9
81.03418	100.0
81.07054	49.6
81.07517	3.4
82.61565	1.4
83.04974	17.4
83.08618	30.8
85.02904	55.2
85.06540	3.8
87.04501	1.5
91.05477	43.5
93.07044	29.9
95.04974	40.8
95.08607	21.8
95.27672	1.3
97.02892	6.4
97.06525	8.3
97.10180	2.7
98.97575	7.4
98.98438	1.5
99.08099	1.6
105.07028	39.6
107.04951	8.9
107.08601	15.1
109.06513	7.1
109.10178	7.7
111.04441	2.5
111.08077	17.3
113.06011	6.7
115.05459	3.6
116.06313	1.8
116.98620	6.9
117.07010	4.2
119.08585	25.9
121.06532	2.9
121.10140	15.4
123.08096	6.1
123.11699	4.5
128.06229	2.3
129.07008	15.0
130.40677	1.6
131.08591	15.7
133.06500	5.5
133.10126	15.4
134.99696	5.0
135.11693	2.5
135.56361	1.7
137.05998	4.5
137.09630	2.4
140.00177	1.9
142.07826	3.1
143.08548	3.8
145.10107	5.8
146.03627	2.4
147.08069	2.5
147.11679	17.2
149.09627	6.3
151.07552	2.0
157.10117	19.5
159.11732	2.7
161.01196	2.1
161.05981	7.3
165.06978	10.6
165.12762	4.2
167.14935	1.7
175.11189	24.0
177.00764	2.6
182.07317	5.2
189.00641	2.7
193.06522	7.0
193.12247	69.7
196.08716	1.7
199.14864	2.0
201.00661	1.8
203.03398	1.9
210.06749	4.9
211.13266	29.6
219.01790	1.7
221.05960	6.6
225.09152	13.7
229.04865	1.9
238.06250	3.1
249.02901	4.2
249.18469	1.9
253.08571	23.4
254.09151	2.3
257.04556	7.6
267.03986	2.7
267.10153	3.1
267.15894	9.0
267.25128	5.8
270.08737	1.8
285.04251	3.3
285.11298	15.5
285.16901	43.9
285.22186	3.6
286.04614	1.7
291.03976	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47617	1.4
51.57885	1.2
53.03938	3.9
55.01873	3.8
55.05515	14.0
56.96563	3.0
57.03437	28.0
57.07061	1.4
58.06599	1.9
59.05016	1.5
65.38503	1.2
66.87005	1.3
67.05504	24.6
69.03429	5.0
69.07063	6.9
70.38073	3.4
71.04991	6.6
79.05492	26.6
80.05809	1.4
81.03420	100.0
81.07057	30.9
82.07376	2.1
83.04988	10.5
83.08623	28.4
85.02425	2.5
85.02911	39.9
85.06536	3.0
91.05485	27.5
93.07038	16.3
95.04977	33.7
95.08606	11.5
96.08956	2.0
97.02877	3.8
97.06548	5.0
97.10162	2.5
98.97593	1.5
105.07034	23.7
107.04966	7.5
107.08614	9.5
108.58283	1.2
109.06532	6.5
109.10156	5.1
111.04431	3.8
111.08082	14.5
113.06026	3.7
115.05486	1.2
117.06995	2.1
119.04945	1.5
119.08576	19.9
120.96777	1.1
121.06511	1.9
121.10151	12.6
123.08093	2.8
123.11699	3.1
129.07022	11.6
131.08583	10.8
132.66792	1.5
133.06509	3.3
133.10150	8.7
135.11665	2.0
137.09625	2.2
142.07809	3.7
145.10124	1.8
147.08047	4.8
147.11687	19.6
148.12041	1.4
149.09621	6.5
149.13048	1.3
151.11211	1.6
157.10120	17.9
161.05965	1.6
165.06912	1.2
165.12747	4.0
175.11197	21.3
193.12254	72.2
211.13271	34.7
211.15231	1.7
221.05884	1.4
221.48567	1.3
229.05016	1.5
229.14334	5.3
249.24141	4.6
253.08710	3.3
257.04428	7.5
259.08368	1.9
267.15967	7.4
267.25140	37.4
285.07880	1.3
285.11407	2.4
285.16977	30.3
285.26172	5.6
309.60776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01860	5.1
55.05259	1.9
55.05509	26.9
56.96571	1.6
57.03436	48.1
57.69875	1.6
59.04997	2.4
65.03928	3.4
67.05507	45.5
69.03414	6.3
69.07072	13.3
69.41348	14.8
71.04997	14.3
76.72775	1.9
79.05056	3.1
79.05492	45.8
81.03418	100.0
81.06574	2.8
81.07058	53.9
83.04986	20.0
83.08620	32.4
85.02907	81.1
85.06535	5.2
90.79988	1.7
91.05482	51.5
93.07043	40.8
95.04968	45.6
95.08606	24.7
97.02876	4.7
97.06529	10.5
99.04459	2.0
99.08102	2.8
105.07028	37.8
107.04958	9.8
107.08594	18.0
109.06513	8.4
109.10148	10.0
111.04427	3.3
111.08077	21.9
113.05998	6.6
115.05463	2.1
116.98549	2.1
117.07024	4.6
119.08584	31.9
121.06493	3.1
121.10133	19.6
123.08030	4.4
123.11694	5.9
125.05889	1.9
128.06192	1.4
129.06993	17.7
131.08563	19.4
133.06503	5.2
133.10121	20.4
134.99617	1.8
135.08044	3.3
135.11678	4.2
137.09584	3.0
142.07790	3.3
143.08527	1.9
145.10089	3.0
147.08011	4.0
147.11699	32.5
149.09627	10.2
149.13266	1.8
155.08545	2.3
157.10123	21.3
163.11168	1.5
165.06952	2.6
165.12737	7.0
175.11189	27.6
189.16310	2.3
193.06474	1.8
193.12244	94.0
203.10751	1.7
211.13271	54.3
213.16275	3.3
225.09303	1.7
229.14391	3.5
231.17407	2.8
249.18486	3.6
253.08647	2.7
267.15930	6.7
267.19482	4.3
270.88190	1.7
285.11792	4.5
285.16953	58.4
300.17197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68157	2.2
53.03926	4.9
55.01861	5.5
55.05507	29.9
56.32284	2.2
57.03148	2.9
57.03433	58.5
57.07052	3.2
67.05174	3.2
67.05500	50.0
68.05806	2.6
69.03419	8.3
69.07055	13.5
69.55638	13.5
69.56054	5.5
71.04977	13.7
79.05058	3.6
79.05485	47.4
79.98318	2.5
81.03414	100.0
81.03905	4.7
81.07053	60.8
83.04990	23.1
83.08619	39.4
84.79192	2.3
85.02898	90.6
85.06506	4.3
87.67532	2.3
91.05470	54.7
93.07036	31.9
95.04956	45.9
95.08595	31.1
97.02872	3.9
97.06530	10.4
97.10156	5.5
98.97559	3.2
105.07024	44.6
107.04942	9.5
107.08572	16.6
109.06487	7.9
109.10136	8.8
111.04430	3.7
111.08083	17.7
113.05973	5.1
115.05441	2.8
117.07008	5.2
119.08579	36.1
121.06495	4.6
121.10138	18.8
121.52760	2.4
123.08047	8.3
123.11696	5.7
125.09637	2.8
129.07013	21.3
130.54918	2.2
131.08554	21.2
133.06473	4.1
133.10117	21.3
136.43391	2.5
137.09563	2.3
142.07741	6.1
145.10147	5.5
147.08008	5.6
147.11681	36.5
149.09579	7.9
152.06299	2.5
154.94925	3.1
157.10115	22.1
159.11687	4.1
163.11240	2.9
165.12764	10.0
173.13210	2.5
175.11171	26.7
176.96800	2.3
185.13220	2.6
193.10420	4.8
193.12228	92.3
199.14844	3.7
211.11310	5.2
211.13249	46.7
225.09099	3.7
253.08701	3.8
266.33575	2.5
267.15958	5.1
285.07693	4.0
285.11517	5.7
285.16922	63.9
285.22052	7.6
285.26096	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	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
56.96547	0.2
65.03939	0.2
66.38293	0.1
67.01842	0.4
69.55159	1.2
81.03403	0.3
81.07039	0.2
84.64692	0.1
91.05466	0.6
105.06966	0.1
111.04439	0.2
119.04964	1.7
120.05711	0.4
121.02856	0.8
121.10077	0.2
124.01568	2.7
139.09579	0.1
145.02861	0.8
160.05144	0.2
167.03407	4.2
168.05600	0.2
169.06448	0.2
185.04448	0.7
185.05916	0.2
186.06804	0.4
187.03935	0.8
196.05048	0.3
197.05977	1.6
213.05473	1.3
214.06131	0.3
224.04692	0.3
225.05490	0.6
241.05020	0.3
242.05731	21.7
243.06102	0.6
253.08333	0.2
270.05225	8.2
271.05466	0.2
285.07565	100.0
286.07922	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01863	3.8
55.05505	12.5
56.96563	3.8
57.03432	15.0
65.03946	2.0
67.05508	20.5
67.93118	1.4
68.82213	1.6
69.03418	3.6
69.07058	7.3
71.04997	7.9
79.05483	22.3
81.03415	100.0
81.07055	31.5
83.04525	1.9
83.04973	9.5
83.08610	25.3
85.02904	22.2
85.06550	2.5
91.05465	27.0
93.07046	17.3
95.04962	34.6
95.08597	11.1
97.02876	3.4
97.06510	3.6
97.10154	2.3
98.21507	5.4
105.07030	23.0
107.04943	6.0
107.08614	9.0
109.06487	5.2
109.10153	5.4
111.04429	3.0
111.08060	13.3
113.05975	3.9
115.05489	2.6
117.07018	1.9
119.08556	21.6
121.06448	2.1
121.10135	12.1
122.21338	1.9
123.08042	3.9
123.11675	4.3
128.06244	2.2
129.07010	13.1
131.08562	13.1
133.06480	5.1
133.10107	8.5
137.09547	1.6
142.07785	4.5
143.08556	3.1
145.10106	6.6
147.08057	4.1
147.11688	18.6
149.09589	5.5
155.08556	2.4
157.10112	15.5
159.11668	2.3
165.12741	3.6
169.10190	1.9
171.11649	2.2
173.13298	3.0
175.11217	16.9
183.11676	3.3
193.10411	2.8
193.12230	57.7
199.14853	3.6
211.13264	21.9
229.14268	3.1
229.80592	2.3
253.08525	2.7
267.15775	10.0
267.24734	1.9
285.11835	3.4
285.16815	15.5
285.22119	7.7
285.26248	2.2
285.29794	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	22.7
57.07067	10.1
60.21625	7.8
64.70441	7.2
67.05502	8.5
70.06579	13.2
71.58576	10.1
72.08150	14.7
74.14360	7.2
81.07095	6.6
84.08130	11.0
84.59004	6.4
85.02905	15.0
89.06023	86.9
100.66727	6.5
105.06999	11.3
116.98614	12.5
133.08571	58.4
147.04425	12.1
177.00778	10.1
177.11063	8.8
181.48848	7.9
181.60880	7.7
197.88524	7.2
205.03749	7.4
224.32524	7.7
239.14873	100.0
284.29416	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	0.9
53.04087	0.5
55.05408	5.0
55.05713	1.7
56.04967	0.4
56.96476	0.9
56.96729	0.5
57.03354	0.7
57.03617	0.4
57.07017	0.5
58.06495	5.8
58.06823	1.9
61.71296	0.4
62.23656	0.4
65.68715	0.4
66.59429	0.4
67.05393	9.1
67.05794	1.9
69.03333	0.4
69.06955	3.0
69.07359	0.9
69.49517	3.5
70.06504	1.0
70.06847	0.4
71.04900	0.7
71.19494	0.4
72.08053	0.7
79.05373	7.9
79.05886	1.2
81.03294	2.9
81.06938	8.8
81.07449	1.1
82.06457	1.3
83.08488	1.8
84.08017	1.4
85.02800	1.0
85.03316	0.5
85.06410	1.3
86.09571	1.2
91.05355	5.1
93.06919	9.3
93.07543	0.8
95.04842	1.9
95.08479	9.9
96.08048	0.7
97.06407	0.5
97.10033	0.4
98.09564	3.5
98.97465	1.2
105.06899	3.6
107.08466	3.6
108.08063	0.4
109.10145	2.1
111.08006	0.5
112.11112	1.1
116.98576	0.7
119.01835	0.5
119.08589	4.9
121.10130	3.0
123.11620	0.7
124.11225	3.2
129.06854	0.5
131.08476	0.6
133.10133	2.5
134.99567	0.5
135.11560	1.4
135.12511	0.5
138.12714	0.5
147.11594	1.6
149.13145	0.9
150.12662	0.5
152.14230	1.1
157.10045	0.9
161.13159	1.2
175.11157	0.6
175.14690	0.7
175.99907	0.4
189.16408	0.5
192.17361	0.6
193.12119	1.1
206.19022	2.0
210.06479	0.5
211.13191	0.6
229.04930	0.5
248.23737	15.9
249.24190	0.5
253.08577	0.9
257.04471	1.5
266.24789	100.0
267.25104	4.0
284.25870	16.3
284.29404	1.2
285.11340	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	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03291	0.9
53.03938	2.4
56.96579	1.5
57.03428	2.0
60.08152	1.3
61.02911	2.2
66.79602	0.9
69.03430	5.1
69.07082	1.2
70.06599	1.2
70.26135	4.6
71.08630	1.3
73.02919	2.9
81.03410	2.5
85.02898	9.4
87.04490	1.3
88.07581	1.2
91.05483	2.8
93.05782	2.1
94.06565	31.2
95.04976	2.8
97.02899	4.5
99.04496	1.3
103.03946	2.7
103.94529	0.9
118.06550	14.1
122.06027	100.0
124.37263	0.9
127.03901	1.8
130.06599	1.2
132.04424	1.1
132.08011	1.8
134.06026	8.6
134.99707	1.6
135.06796	2.3
136.06230	1.7
136.07556	4.4
146.06009	12.6
152.05699	2.1
158.06023	3.5
160.07590	3.1
164.07063	22.4
174.61885	1.1
179.07053	1.2
188.07066	6.1
192.06557	2.5
238.07120	2.1
248.09222	2.8
266.10117	2.3
284.07764	3.9
284.11298	20.8
284.29449	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.75599	0.5
57.03437	0.7
69.03415	0.7
69.75534	3.0
70.06583	0.7
94.59248	0.5
98.20771	0.8
106.74123	0.5
110.03529	1.9
114.61374	0.6
116.07021	0.4
122.06017	0.5
128.04579	1.5
135.03055	2.5
136.06178	3.8
152.05676	100.0
153.04086	8.4
181.37779	0.5
284.29535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.71656	0.3
56.96550	1.0
57.03421	1.1
61.02917	0.7
69.03411	1.1
70.06583	2.8
71.58405	0.6
73.02912	1.7
74.06083	0.6
84.08111	0.3
85.02911	2.4
86.09743	0.4
91.16049	0.3
93.04523	0.4
97.02892	1.3
98.97592	0.8
99.04440	0.4
102.57248	0.4
102.96904	0.6
104.10722	0.9
107.77076	0.3
109.05118	0.6
110.03539	2.4
110.07150	2.5
112.51082	0.4
115.69212	0.4
119.01887	0.5
120.08073	0.3
127.03902	1.0
128.04550	1.3
128.98561	0.6
131.01859	0.6
134.99675	0.6
135.03024	2.3
136.06187	4.0
136.07472	0.6
137.07889	0.7
138.05492	0.4
141.10172	0.7
146.99605	0.4
152.05672	100.0
153.04080	10.1
153.06046	0.7
169.09779	0.5
172.95258	1.2
173.02934	0.6
175.02763	0.6
181.00121	0.3
184.55032	0.6
187.02863	0.4
190.96268	0.6
193.55560	0.8
203.03957	0.5
266.06735	0.4
277.12967	0.4
284.10245	0.7
284.29480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0987
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.39777	0.5
55.01868	1.2
55.02987	1.1
55.05484	0.9
56.95303	0.5
56.96546	1.6
57.03420	1.8
57.07067	1.6
60.26192	0.5
61.02929	0.9
64.74036	0.5
67.05493	1.3
68.05033	0.8
68.87144	0.5
69.03407	1.6
69.07057	1.0
70.06577	1.9
71.01344	3.1
71.04984	0.7
71.12025	1.3
72.08154	0.7
73.02914	1.8
81.03397	0.6
81.07060	1.2
82.04071	2.8
84.04466	0.6
85.02901	2.3
85.06523	1.3
89.02429	0.5
94.04075	0.7
95.06087	7.0
97.02885	1.7
97.05120	1.3
97.07659	0.8
98.03561	1.4
98.97592	2.2
109.05126	4.8
110.03529	4.1
116.98602	1.4
119.03560	1.3
121.05094	1.2
122.09662	1.3
124.06222	1.3
125.04581	4.2
125.06966	1.5
126.05392	1.0
126.07756	5.9
127.06158	10.5
128.04559	3.3
134.04639	1.0
134.99666	1.6
135.03029	3.6
135.05386	1.5
135.06635	0.9
136.06183	99.7
137.04579	8.5
138.07764	1.1
139.06143	1.0
148.06213	0.8
150.07678	1.0
151.06169	0.8
151.12251	1.0
152.05667	100.0
153.04044	1.1
153.06487	0.7
154.06007	0.5
154.07224	12.4
158.99599	0.8
161.04636	4.4
164.05705	1.8
165.04118	0.7
166.07263	0.9
170.05209	1.5
174.00748	0.7
174.04414	1.5
177.00720	1.4
177.04326	1.1
178.07263	2.2
182.06706	0.9
186.04446	0.8
193.13411	1.6
194.06752	1.2
196.08252	1.4
204.05423	2.0
219.01791	0.9
220.08273	0.9
224.07790	1.0
225.16002	6.4
233.06813	1.2
239.07817	0.9
241.09215	0.7
241.39581	0.5
248.07822	1.8
256.10538	1.5
266.08948	3.3
267.07196	1.2
284.09915	21.3
284.13000	0.9
284.23303	8.2
284.29407	5.0
303.07608	1.3
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
53.03933	3.1
55.01861	3.0
55.05510	13.0
56.96547	3.8
57.03430	3.1
57.07055	7.3
57.10773	2.1
57.25837	2.0
64.99110	1.8
67.05502	15.5
69.03420	12.6
69.07062	20.4
69.29493	20.5
69.29906	3.0
71.04971	4.4
71.33792	2.1
79.05495	14.9
81.03391	7.2
81.07059	20.5
83.04971	3.2
83.08595	9.1
85.06514	2.1
90.16047	2.0
91.05467	14.1
93.07040	21.7
95.04984	13.6
95.05460	2.0
95.08044	2.9
95.08601	32.0
96.00594	1.9
97.06513	4.4
97.10152	5.5
98.97576	3.5
103.05414	3.1
105.07020	30.4
107.04910	4.2
107.08588	18.0
109.06444	5.8
109.10165	11.8
111.11686	2.5
112.28187	2.2
115.05418	2.6
116.98586	6.3
117.06968	8.1
119.08580	34.1
121.06470	3.9
121.10148	37.8
123.08055	5.5
123.11673	3.9
128.06248	3.6
129.06989	7.6
130.23679	2.1
131.04926	4.5
131.08571	16.1
133.10127	50.7
134.99602	8.8
135.07999	3.1
135.11676	5.7
139.19836	2.3
140.67715	2.1
141.06924	3.1
142.07726	4.2
143.08575	22.0
144.09216	2.5
145.06470	2.4
145.10135	21.5
147.11646	7.8
149.13210	2.7
153.06833	3.4
155.08499	8.6
156.09294	3.5
157.10115	22.8
158.10907	4.0
159.07985	2.6
159.11711	14.1
161.09558	7.0
161.13213	7.3
163.11220	2.8
163.14793	2.8
169.10085	12.6
171.08025	2.7
171.11678	32.5
173.09569	4.6
173.13222	17.6
175.11137	3.1
179.08478	3.3
181.10086	10.5
182.10875	4.0
183.11649	10.6
185.09682	3.5
185.13211	9.0
186.13980	7.8
187.11148	4.8
189.12750	3.2
189.16298	5.3
193.10150	3.0
194.10852	5.2
195.11694	12.0
197.13315	11.0
199.11209	3.5
199.14774	9.2
201.16331	4.6
208.12439	2.9
209.13287	14.7
211.14824	3.1
213.12718	7.1
213.16357	5.0
223.14807	13.4
225.16298	2.6
227.14221	6.8
227.17946	3.2
236.15929	2.5
239.17917	6.5
241.15891	3.0
250.17162	3.9
255.21111	12.9
265.19556	19.4
277.01205	2.2
278.01120	4.0
283.20474	100.0
283.23376	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	283.2057
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
50.46258	1.6
51.35819	1.5
55.05519	7.8
56.96550	4.8
57.03426	2.2
57.07074	4.0
58.31926	1.7
62.58173	1.6
65.03927	1.7
67.05508	12.9
69.03411	4.3
69.07066	9.2
69.31897	16.5
79.05475	9.8
80.78680	1.4
81.03420	9.1
81.07054	16.7
83.04979	2.5
83.08609	5.2
85.06533	2.5
89.06041	2.4
91.05474	10.4
93.07049	12.8
95.04959	11.0
95.08599	18.9
97.06534	2.8
98.21578	3.1
98.97569	4.5
105.07034	20.9
107.08581	12.9
109.06528	3.5
109.10141	7.8
116.98592	8.3
117.07022	5.1
119.07767	2.7
119.08570	22.9
121.06487	4.2
121.10145	12.8
123.08081	2.2
123.11711	2.0
129.06987	3.7
131.08562	13.0
133.06532	3.2
133.10127	20.4
134.99681	8.1
135.11707	4.1
141.06992	2.8
142.07768	4.0
143.08534	12.0
144.09303	2.8
145.06400	2.2
145.10132	19.3
147.08037	2.8
147.11728	8.2
149.09564	1.7
149.13258	4.2
151.11142	1.6
155.08519	7.4
157.10121	16.6
159.08098	2.6
159.11697	12.5
160.12059	2.0
161.09671	2.9
161.13245	5.9
163.11197	3.3
163.14815	2.4
165.07005	2.0
167.08554	4.5
168.09320	2.2
169.10110	11.6
170.10942	2.0
171.08061	3.9
171.11674	18.4
173.09593	5.6
173.13228	7.1
175.11166	3.2
176.55418	1.6
179.08481	2.1
181.10071	6.0
183.11700	8.6
185.13242	7.4
186.14029	3.6
187.11159	4.8
187.14754	3.5
189.12717	2.7
189.16470	2.9
195.11772	9.1
197.09746	1.8
197.13199	8.2
199.11130	2.5
199.14798	7.2
201.12695	2.3
201.16400	4.0
209.13245	9.6
213.12727	4.9
213.16383	4.8
223.14818	5.2
225.16283	3.2
227.14374	5.7
239.17931	4.1
241.15819	3.8
241.19302	1.8
255.21065	23.1
265.19550	18.4
278.00955	6.8
279.00787	2.3
283.20538	100.0
284.20883	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
54.80536	1.1
55.01859	1.6
55.05507	9.3
57.07067	3.5
64.31769	1.2
67.05508	16.1
69.03432	12.3
69.07071	9.3
70.04389	5.0
70.04791	2.6
71.04989	3.0
71.36351	1.2
79.05493	14.4
81.03434	7.7
81.07058	19.2
83.04964	2.2
83.08609	4.2
91.05483	17.5
93.07047	16.8
95.04974	11.7
95.08612	30.7
97.06502	3.5
98.97591	1.7
105.06374	2.2
105.07036	30.1
107.04930	1.4
107.08598	17.9
109.06509	5.1
109.10162	11.3
112.07635	1.5
115.05425	2.4
117.07001	9.5
118.53011	1.5
119.08585	48.6
121.06496	5.7
121.10149	26.3
123.08072	7.8
123.11676	5.8
128.06194	4.9
129.07002	5.8
130.07771	3.4
131.08588	21.4
133.06485	1.7
133.10129	52.1
135.08043	3.8
135.11676	4.8
136.00137	1.2
141.06981	5.3
142.07771	6.3
143.08568	21.1
144.09337	3.5
145.06485	2.3
145.10120	25.2
147.08014	4.3
147.11714	7.5
149.09647	1.7
149.13252	2.7
151.11148	1.3
153.06955	1.9
154.07779	2.4
155.08557	8.1
156.09338	8.1
157.10136	26.8
158.10843	4.6
159.08064	3.5
159.11688	23.0
161.09610	11.0
161.13277	3.8
163.11211	2.4
163.14851	1.7
163.98790	1.9
165.07005	6.2
166.07788	3.5
167.08603	4.7
168.09334	3.0
169.10136	22.7
170.10849	2.5
171.11700	42.8
173.09622	3.1
173.13261	26.1
175.11227	3.4
175.14824	3.6
179.08557	7.6
180.09311	5.2
181.10094	10.3
182.10919	3.8
183.11655	11.5
184.12418	2.1
185.09567	3.6
185.13272	14.4
186.14049	12.8
187.11047	2.2
187.14821	5.2
189.12689	4.2
189.16333	2.5
191.14362	3.4
193.10135	4.9
194.10922	5.4
195.11671	16.3
196.12378	1.5
197.13228	12.1
199.11215	3.2
199.14780	9.6
201.12752	1.9
201.16365	4.9
203.14294	2.4
207.11659	3.3
208.12468	4.4
209.13260	23.7
210.13853	2.7
211.14815	5.8
213.12854	7.7
213.16338	7.9
215.14351	3.3
217.16269	1.4
221.13245	3.7
222.14059	2.9
223.14783	17.4
224.15378	1.6
225.16342	4.1
227.14264	10.4
235.14838	2.4
236.15544	2.3
237.16408	4.5
239.17899	7.8
241.15881	2.1
253.19511	3.9
255.21115	6.7
265.19516	34.9
283.20566	100.0
284.17184	1.8
284.20700	2.0
292.78757	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03942	2.6
55.01868	1.6
55.05508	8.8
57.03439	2.1
57.07065	3.2
57.15201	0.9
58.17712	0.9
65.03944	1.5
67.05506	20.7
67.97470	1.0
69.03426	5.5
69.07066	12.1
69.70590	1.7
69.71003	6.0
71.04992	5.7
77.03959	1.5
78.74334	1.0
79.05486	21.3
81.07057	34.5
83.04963	3.0
83.08617	6.4
83.53138	1.2
85.06525	2.2
86.11475	1.1
91.05476	22.5
93.06464	2.2
93.07043	40.1
95.04983	10.6
95.08607	27.5
95.09219	1.4
97.06516	5.3
97.10178	2.0
98.21377	2.4
99.08075	1.2
103.05470	2.7
105.07027	45.2
107.08589	32.4
109.06523	7.5
109.10154	18.0
109.35254	1.2
111.08073	2.2
111.11752	1.1
114.02829	1.1
115.05430	1.6
117.07014	9.0
119.08576	35.1
121.06524	7.8
121.10140	68.7
121.21410	1.2
123.08067	8.6
123.11701	7.7
125.09599	1.4
128.06209	4.1
129.06964	5.1
130.07773	3.0
131.07571	1.6
131.08566	31.5
131.09512	2.1
133.06544	1.2
133.10133	27.6
135.08046	7.7
135.11682	7.6
137.09633	2.0
139.11198	1.4
141.06996	1.5
142.07774	4.8
143.08565	17.4
144.09299	3.8
145.06447	1.5
145.10114	32.3
147.08061	3.4
147.11697	15.9
149.09630	2.0
149.13289	2.3
155.08583	4.7
156.09343	3.6
157.10138	18.0
158.10919	6.0
159.08058	3.2
159.11673	14.6
161.09627	20.0
161.13242	6.3
163.11159	5.0
163.14867	1.9
165.07024	2.0
166.13995	1.1
167.08604	2.6
168.09348	1.5
169.10132	6.1
170.10878	3.7
171.11671	12.2
173.09641	4.5
173.13260	57.9
174.13855	1.5
175.11198	4.7
175.14771	8.3
179.08542	5.2
180.09369	1.4
181.10130	5.9
183.11667	7.7
185.09644	1.8
185.13206	10.0
187.11090	2.4
187.14854	8.9
189.12798	3.4
189.14685	1.0
191.14288	9.5
193.10201	3.1
194.10909	4.5
195.11725	6.8
197.13283	6.8
199.11217	3.2
199.14824	7.6
201.12798	3.0
201.16414	2.0
203.14375	2.1
207.11720	2.4
208.12424	3.7
209.13235	11.5
210.13969	2.4
211.14803	3.8
213.12732	4.2
213.16328	3.2
215.14398	1.7
223.14810	7.9
225.16347	4.8
227.14340	8.3
235.14845	2.1
237.16338	1.9
239.17960	3.1
241.15858	2.3
250.17024	1.6
255.21095	9.7
265.19620	20.5
283.20554	100.0
284.20786	3.0
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	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01874	1.7
55.05516	9.8
56.96557	2.0
57.07071	3.5
63.30698	1.6
65.03923	2.0
67.05496	14.1
69.03425	6.9
69.07073	8.6
71.04980	7.4
71.30333	3.2
74.87203	1.8
79.05488	15.6
81.07057	28.2
83.04966	2.7
83.08607	3.8
91.05474	22.8
93.07047	29.7
95.04947	10.4
95.08611	16.4
97.06517	4.1
98.97601	3.1
105.07030	54.5
107.04984	1.6
107.08601	27.4
109.06509	8.3
109.10143	19.5
111.04446	1.6
115.05431	2.5
116.98568	2.8
117.07030	10.5
119.07794	2.8
119.08583	41.2
119.21959	1.5
121.06503	7.8
121.10143	100.0
123.08061	6.3
123.11701	8.0
128.06255	3.9
129.06987	5.4
130.07790	5.2
131.08565	27.2
133.10124	27.4
134.99673	5.1
135.08063	9.4
135.11693	12.0
137.09615	2.2
142.07800	5.0
143.08565	18.2
144.09326	4.4
144.44838	1.8
145.06482	1.8
145.10118	39.1
146.07246	3.0
147.08005	3.3
147.11740	9.0
149.13219	2.5
151.11105	2.5
155.08614	4.3
156.09319	4.8
157.10127	14.8
158.10866	7.0
159.08018	3.4
159.11685	18.6
161.09631	27.2
161.13248	5.4
163.11147	4.0
163.90842	2.0
165.07028	2.2
169.10110	7.8
170.10834	2.0
171.11705	11.9
173.09610	6.5
173.13274	50.0
175.11201	5.1
175.14757	8.8
179.08554	4.0
180.09370	2.7
181.10130	7.2
183.11655	7.6
185.13271	9.8
187.11171	2.9
187.14835	8.7
189.12689	3.0
193.10181	3.4
194.10895	3.2
195.11678	8.3
196.12431	2.7
197.13217	7.0
199.11244	3.2
199.14832	5.7
201.12727	2.5
201.16435	4.4
209.13304	12.1
211.14864	2.9
213.12741	3.5
213.16406	4.7
222.14038	1.9
223.14729	9.1
225.16399	3.3
227.14328	6.3
235.14679	3.1
237.16389	2.0
239.18027	2.3
241.15979	2.3
250.17310	2.5
255.21162	5.9
265.19568	18.7
278.00983	2.5
283.20563	94.1
283.28238	4.8
284.20905	4.8
284.29486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50144	0.5
59.37795	0.5
62.56791	0.5
62.86901	0.5
69.03446	0.5
69.26608	0.5
70.37941	0.5
71.06679	0.8
71.07037	1.2
84.08134	1.1
84.27331	0.6
87.04484	1.8
89.06033	100.0
90.06352	0.6
107.07076	3.9
120.08119	1.8
130.08636	1.0
131.15497	0.5
133.08609	33.0
135.98804	0.5
139.41820	0.6
151.09692	1.2
166.46474	0.6
169.93814	0.5
177.11218	6.2
187.83188	0.5
192.94855	0.5
195.12325	1.4
239.14888	0.9
283.17535	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54927	4.0
53.03941	9.5
54.79318	3.2
55.01875	11.5
55.05516	14.9
55.49128	3.9
56.96571	13.2
57.03429	4.9
57.07086	5.9
58.66551	3.5
67.05516	24.1
69.07060	24.6
69.82574	21.6
74.69133	3.2
79.05496	100.0
79.05962	7.9
81.03436	11.7
81.07059	28.5
83.04984	31.9
83.08620	9.1
84.18356	3.4
89.06022	5.3
91.05505	15.1
93.07046	18.1
95.04971	76.4
95.08630	15.5
97.02904	5.0
97.06533	51.1
97.10174	4.4
98.20805	4.9
98.97602	9.9
105.07049	9.7
107.04951	26.6
107.08617	7.6
111.04439	4.2
114.28622	3.4
116.98642	7.5
118.30067	3.3
119.04941	4.2
119.08601	8.2
121.10193	8.0
123.39758	3.7
125.06007	13.9
131.08614	8.2
133.10118	3.8
134.99689	12.9
140.02452	3.3
143.07066	16.1
145.10158	6.9
163.11203	10.5
171.11838	4.5
173.13248	3.6
181.12210	4.2
209.11662	4.4
278.01044	12.3
283.15369	6.1
283.20502	10.0
285.10114	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01872	5.6
55.05505	12.2
55.29926	1.0
57.03432	12.8
57.07073	4.9
63.89095	0.9
65.03952	1.7
67.05167	1.5
67.05506	23.7
69.03415	1.4
69.07062	8.6
69.39310	5.1
69.39741	4.9
71.04984	3.4
71.08633	1.6
73.02915	2.0
74.30235	0.9
79.05495	29.9
81.03420	4.2
81.07053	23.3
82.83752	0.9
83.04970	4.2
83.08620	10.0
85.06540	1.2
87.33381	0.9
91.05475	12.9
93.07040	44.6
93.07629	2.3
95.04970	10.6
95.08604	43.2
97.02892	3.3
97.06563	5.0
97.10200	1.8
99.04416	4.9
103.05478	1.5
105.07009	8.3
107.04942	10.7
107.08590	31.8
109.06540	3.5
109.10157	4.2
111.04445	1.8
111.08048	1.7
114.96168	1.9
117.07006	9.8
119.08595	10.9
121.06493	7.4
121.10139	15.1
125.05983	3.2
130.07793	2.5
131.08620	1.9
133.10139	4.0
134.99686	1.4
135.08025	2.8
135.11684	54.1
135.59030	1.0
139.07524	1.9
145.06441	1.3
145.10121	29.8
153.12770	1.9
154.94122	1.9
163.11182	63.1
164.11557	1.8
171.11673	1.1
172.95248	3.4
173.09644	2.0
173.67345	1.0
181.12228	15.8
190.96255	3.1
191.10744	1.7
194.27893	1.0
209.11734	4.0
227.12776	100.0
228.13074	2.0
228.97891	1.8
246.98985	3.9
256.21417	1.2
283.15427	22.5
283.20557	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	7.3
55.05504	18.5
57.03440	13.5
57.07070	11.7
67.05162	3.4
67.05502	38.8
69.03413	2.5
69.07066	13.7
71.04987	3.3
71.08627	5.4
79.05494	38.9
81.03423	4.7
81.07053	37.1
83.04988	6.8
83.08605	15.0
91.04946	2.8
91.05471	20.0
93.07038	51.8
94.19583	1.9
95.04980	6.8
95.08601	49.9
97.02882	3.3
97.06526	9.2
97.10094	2.6
98.20603	4.0
99.04453	3.6
101.78196	2.2
105.07018	13.2
107.04961	13.8
107.08588	36.5
109.06503	2.4
109.10149	6.6
111.04465	4.6
117.07011	18.3
119.08591	17.1
119.90832	2.2
121.06496	9.2
121.10126	21.1
123.11733	4.3
125.06004	4.8
125.96709	2.0
126.03074	2.2
129.06949	2.3
130.07837	3.1
131.08583	8.0
133.10109	9.7
134.99695	3.2
135.08060	2.7
135.11682	56.2
143.08545	3.8
145.06416	2.5
145.10121	42.4
147.08046	2.3
149.09602	2.2
154.94110	3.3
163.11172	77.1
172.95206	15.6
173.09616	4.4
181.12239	14.3
190.96251	13.3
191.10670	6.1
203.58565	1.8
209.11758	5.7
227.12773	100.0
228.13182	2.8
228.97835	7.4
229.62817	3.3
246.98959	5.1
265.21744	1.8
278.00751	1.8
279.36615	1.7
283.15289	33.8
283.20508	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
53.50377	1.1
55.01868	5.7
55.05508	15.5
57.03436	11.9
57.07066	2.3
59.03218	0.9
65.03954	1.1
67.05161	1.7
67.05504	20.1
69.03429	1.3
69.07065	10.3
71.04994	3.4
71.59979	1.0
71.60352	1.3
73.02937	1.0
79.05489	34.7
81.03400	3.9
81.07054	24.1
83.04989	6.9
83.08614	13.1
85.02935	0.9
85.06549	1.7
89.06020	6.4
89.34436	0.9
91.05465	12.4
93.07040	49.9
95.04964	10.8
95.08604	44.5
95.09221	1.1
97.02872	6.3
97.06525	6.7
97.10134	1.4
99.04444	6.2
103.05484	1.3
105.04510	0.9
105.07017	10.5
107.04951	12.3
107.08594	33.2
107.99833	0.9
109.06521	2.9
109.10165	4.4
111.04459	3.5
111.08104	2.0
117.07024	12.4
119.08569	11.8
121.06501	8.4
121.10145	19.4
125.06006	4.0
126.68612	1.1
129.07045	1.1
130.07777	1.4
131.08566	2.0
133.08585	1.6
133.10133	3.3
135.08054	3.4
135.11687	57.5
139.07561	1.7
139.11169	0.9
143.08543	1.7
145.06512	1.2
145.10117	36.1
153.12706	1.0
155.08562	1.8
163.11169	76.0
164.11502	1.6
173.09654	2.7
181.12204	16.9
191.10579	1.5
209.11824	1.9
227.12778	100.0
228.13135	2.8
246.52110	1.1
255.15923	1.0
283.15332	23.8
283.20270	2.0
284.15878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01865	3.8
55.05511	18.2
56.00198	2.4
56.08677	2.5
57.03427	11.1
57.07071	6.6
58.03098	2.5
67.05504	20.9
69.07064	13.2
69.93520	15.3
79.05493	31.9
79.27292	2.4
81.03411	5.3
81.07051	23.6
83.04961	9.0
83.08615	9.5
87.14781	3.0
89.06009	5.1
91.05475	11.0
93.07040	49.4
95.04956	12.9
95.08603	41.9
97.02893	4.1
97.06537	5.5
105.07016	17.1
107.04945	8.2
107.08601	29.9
109.10143	3.5
117.07032	11.0
119.08589	8.2
121.06519	4.6
121.10139	16.7
125.05964	3.0
133.08623	5.4
133.10184	3.1
135.07996	3.5
135.11684	47.1
143.08545	5.0
145.10126	27.3
148.05659	2.7
163.11168	82.3
181.12196	16.9
227.12776	100.0
254.59537	2.5
283.15372	25.1
293.61057	2.6
293.64780	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01871	5.1
55.05512	14.2
56.96564	1.9
57.03439	13.2
57.07069	2.5
65.03928	1.6
65.11417	0.9
67.05504	22.6
69.03429	2.8
69.07063	10.2
69.32484	2.1
69.32894	7.7
71.04991	3.6
71.08633	1.1
73.02932	1.9
79.05495	29.7
81.03423	4.0
81.07055	23.0
83.04985	5.7
83.08614	8.5
85.06527	1.6
91.05471	9.3
93.07043	43.6
95.04961	8.6
95.08603	41.0
95.09231	1.1
97.02882	5.2
97.06541	5.1
97.10162	1.1
98.97581	1.3
99.04444	5.2
105.07021	11.0
107.04957	12.2
107.07854	2.0
107.08589	30.1
109.06528	3.4
109.10172	4.4
111.04411	2.0
111.08068	1.1
113.06037	1.2
115.05498	1.0
117.07021	9.6
119.08585	10.9
119.25745	1.1
121.02867	1.5
121.06488	6.2
121.10130	14.6
123.08096	1.9
125.06007	2.8
130.07782	2.3
131.08577	2.7
133.10129	4.0
135.08083	2.3
135.11690	49.5
139.07549	1.8
141.06984	1.2
143.08562	2.3
145.06470	1.2
145.10118	28.5
147.08057	1.2
153.12776	1.2
157.10136	1.3
159.11786	1.2
163.11180	69.8
173.09668	1.7
181.12227	13.9
191.10617	1.1
209.11725	2.0
227.12773	100.0
228.13109	3.1
241.05312	1.7
283.15387	22.6
283.20389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01859	0.4
56.05007	0.1
56.96550	0.4
57.03431	0.4
59.04998	0.4
61.02911	0.3
61.71548	0.2
69.03434	1.8
69.07060	0.2
70.06577	0.2
70.99106	0.4
70.99446	0.2
71.01335	0.2
73.02898	0.3
73.06554	0.2
75.04459	0.5
84.08143	0.4
85.02886	0.6
87.04482	0.7
94.04028	0.6
97.02895	0.8
98.97572	0.4
101.06010	1.0
115.03974	0.3
116.98601	0.4
119.03560	1.2
120.08134	0.2
128.98630	0.2
129.05464	0.2
134.99637	0.2
136.06180	100.0
137.04587	1.2
137.06540	0.4
146.99644	0.3
147.06505	0.3
175.81078	0.2
177.00656	0.2
237.02853	0.2
260.38678	0.2
280.50351	0.2
282.11975	2.7
282.22104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01862	3.7
56.13177	1.4
56.96553	2.8
57.03429	5.1
57.07075	2.3
61.02927	8.4
69.03427	15.7
69.07041	1.4
70.06579	1.5
70.83750	4.9
71.04951	1.7
73.02909	3.7
81.03424	10.7
84.08149	1.8
85.02906	100.0
85.06545	19.9
87.04464	2.1
91.03956	7.1
97.02906	19.8
98.97603	2.9
99.04438	4.2
109.02869	5.2
109.06538	1.5
120.08128	1.8
127.03925	23.2
127.04813	2.9
128.11844	1.4
136.06198	14.7
145.04965	43.7
163.06078	12.3
189.49878	1.8
193.03197	4.4
229.10753	5.3
282.08511	4.4
282.13638	1.9
300.06201	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01873	1.6
55.05513	4.6
56.96556	1.2
57.03440	4.0
60.78826	0.8
67.05503	7.4
69.03419	3.5
69.03753	0.8
69.07065	4.3
70.66428	1.7
70.66789	1.7
71.04968	0.9
79.05490	9.2
81.03407	2.2
81.07058	8.4
83.04954	2.5
83.08607	2.8
85.02924	0.9
86.28385	0.8
91.05486	3.8
93.07040	13.2
95.04970	2.5
95.08597	12.1
97.02890	1.5
97.06519	2.1
97.10183	1.2
98.97581	2.7
99.04462	1.7
103.79577	0.8
105.07005	3.5
107.04956	3.1
107.08588	7.9
109.06522	1.8
109.10159	2.2
111.04414	1.6
116.98641	1.6
117.07036	3.2
119.08533	3.9
121.06516	2.5
121.10134	4.8
125.05951	1.0
131.08571	1.2
133.10161	1.7
134.99657	1.1
135.08023	1.7
135.11696	13.3
145.10120	9.4
163.11176	18.8
173.09726	0.8
179.90976	1.0
181.12212	4.7
187.08165	1.7
192.12871	0.9
194.84004	0.8
227.12775	28.0
233.11688	4.0
233.13455	0.9
251.11118	4.0
265.14209	1.7
269.12381	15.4
282.66028	1.3
283.15173	100.0
284.15518	1.4
292.13779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	30.6
55.05505	78.9
57.03438	73.5
57.07071	14.6
64.32797	6.9
65.03946	6.4
67.05500	51.6
69.07040	15.2
71.04974	13.6
71.60761	9.2
75.48631	7.6
79.05493	76.5
81.03395	28.6
81.07055	79.1
83.01326	40.9
83.04983	52.7
83.08627	48.1
89.06013	28.6
91.05484	48.5
93.07044	96.7
95.04945	32.1
95.08596	40.4
97.02874	9.0
97.06525	17.8
99.04448	10.6
105.07026	32.9
107.04928	30.2
107.08591	58.9
109.06496	24.4
109.10148	12.2
111.04426	7.6
111.08064	9.6
117.06989	27.0
118.56448	7.0
119.08582	40.1
121.06494	13.9
121.10130	31.0
122.58878	6.4
123.08050	26.4
123.31164	7.0
125.05953	6.8
129.06911	9.2
131.04999	7.2
131.08571	11.7
135.08075	12.0
135.11707	40.6
143.08627	8.1
145.10141	63.2
147.08026	11.6
153.12708	11.9
158.88403	7.3
163.11183	100.0
167.47899	6.9
173.09625	8.7
173.60301	8.2
181.12195	19.4
191.10733	14.1
209.11725	27.9
227.12695	22.0
283.15393	90.5
283.20428	12.9
288.30063	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58319	1.4
53.03943	3.7
55.01856	6.3
55.05511	16.6
56.96552	5.8
57.03438	12.7
57.07060	2.6
62.66024	1.8
67.05501	25.8
69.03417	3.9
69.07066	14.4
71.04993	3.3
71.59959	2.1
72.23712	1.4
73.02923	1.9
74.22103	1.3
79.05486	30.5
81.03410	3.6
81.07059	29.1
83.04977	8.7
83.08612	12.8
85.02897	3.0
85.06538	2.6
91.05472	11.5
93.07041	47.9
95.04967	11.0
95.08600	45.1
97.02900	5.8
97.06517	7.9
98.97580	2.3
99.04456	6.6
99.08029	1.6
103.05539	1.9
105.07018	13.7
107.04945	11.1
107.08592	27.7
109.06520	4.3
109.10154	8.0
111.04426	3.3
111.08079	2.4
116.98620	2.7
117.06995	14.9
119.08591	13.7
121.06496	8.8
121.10140	16.8
123.08067	1.5
123.11765	2.1
125.06010	4.7
130.07800	2.3
131.08572	3.1
133.10135	4.2
134.99586	1.9
135.08049	3.4
135.11685	54.7
139.07515	2.2
143.08542	4.6
145.10109	33.8
145.11089	1.5
153.12759	2.3
155.08539	3.4
161.09538	2.0
163.11182	72.1
173.09587	3.5
177.00729	1.9
181.12230	18.8
191.10538	2.0
209.11754	3.9
222.19661	1.5
227.12775	100.0
228.13150	2.2
249.57532	1.4
273.65518	4.9
283.06363	1.9
283.09518	4.0
283.15314	25.6
283.20374	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	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.67070	4.3
54.22407	4.3
55.05508	59.3
55.89568	5.3
57.03431	5.3
57.07081	45.8
58.46412	4.7
63.14269	4.7
67.05507	59.4
69.06718	7.4
69.07069	100.0
69.07442	3.6
69.81776	31.7
71.08621	15.0
79.05480	23.2
81.07062	83.9
83.08611	64.4
85.06539	6.9
85.10159	8.2
86.09696	5.4
91.05473	22.6
91.58126	5.0
93.07047	33.2
95.08595	68.3
97.06543	14.1
97.10156	46.3
104.10737	12.8
105.07039	18.0
106.78065	4.3
107.08598	19.5
107.24011	4.6
109.10155	44.6
111.08097	8.3
111.11703	21.2
119.08592	26.5
121.10157	21.1
123.11736	15.3
125.09605	5.8
125.13309	11.8
130.54082	5.5
131.54109	4.6
133.10107	30.4
135.11687	21.0
137.09605	9.8
137.13254	7.8
147.11700	23.1
149.13245	15.5
150.04895	7.3
150.54803	6.9
151.11275	6.0
151.14693	4.9
158.55432	10.7
159.05525	10.0
159.55447	11.2
161.13272	19.3
163.14859	13.2
165.12766	8.4
167.14328	5.1
175.14801	11.8
179.14372	6.3
189.16345	7.3
193.15714	4.9
207.17502	5.2
221.22618	14.0
245.22647	56.3
245.26735	5.2
245.29733	5.7
263.23688	35.2
263.32834	5.7
281.18936	10.1
281.24631	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	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.20923	1.8
53.03555	1.9
53.03938	4.8
54.35231	1.8
55.05511	74.9
57.03431	2.9
57.07073	29.9
58.49777	1.9
64.40947	1.8
67.05502	62.5
69.07066	100.0
70.31114	9.1
71.04982	5.9
71.08626	13.6
78.94560	2.2
79.05492	23.7
81.07055	82.9
82.07394	2.7
83.04968	3.4
83.08617	73.0
83.09112	4.6
85.06537	6.9
85.10178	3.6
91.05473	19.1
93.07040	39.2
95.04972	2.8
95.08603	75.9
97.06532	14.7
97.10170	60.8
99.08082	4.5
105.07024	19.7
107.04975	2.4
107.08591	25.1
109.06557	3.4
109.10150	33.4
111.08041	11.3
111.11719	19.6
115.07523	3.2
119.08569	18.1
121.10140	26.3
123.08028	3.3
123.11699	15.7
125.09622	4.1
125.13258	5.0
129.09108	2.5
133.10143	23.8
134.99638	2.5
135.11676	20.0
137.09647	6.7
137.13237	5.9
139.11177	5.7
139.14809	2.9
147.11667	15.0
149.13292	16.5
151.11212	5.7
151.14841	4.6
153.12730	4.4
161.13252	15.7
163.01683	2.1
163.14821	13.0
165.12733	7.7
166.28447	2.0
167.14270	4.1
172.95259	2.2
175.14827	11.4
179.14404	5.7
179.17975	3.4
181.15900	5.7
185.07993	2.0
189.16399	6.0
193.15952	4.5
203.17982	3.1
207.17528	3.5
219.21347	3.2
221.22681	5.5
231.06326	2.1
245.22643	24.5
263.23727	22.4
281.24768	17.2
281.29565	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
53.03943	9.1
55.01868	5.6
55.05511	37.1
56.96563	13.7
57.03437	28.8
57.07053	5.3
65.03928	2.2
65.74162	2.4
67.05502	88.2
69.03451	3.4
69.07066	23.5
70.33322	3.1
70.33719	4.7
71.04990	7.2
71.08628	3.2
79.05487	100.0
81.03439	11.3
81.07056	67.3
83.04989	28.6
83.08618	12.5
85.02927	2.5
85.06543	5.5
91.05474	54.3
93.07040	68.0
95.04970	29.5
95.08609	49.2
97.06533	10.1
97.10160	5.9
98.97597	10.6
101.88205	2.0
105.07029	47.6
107.04911	3.6
107.08604	19.7
109.06509	10.3
109.10152	11.1
111.08064	3.5
113.09657	2.4
116.98622	14.5
117.07033	11.6
119.08582	32.4
121.06509	4.7
121.10145	7.8
123.08064	9.4
123.11703	2.3
125.09574	2.3
128.06282	2.8
129.07010	17.7
131.08577	4.5
133.06477	2.3
133.10115	17.4
134.99667	11.6
135.08070	4.7
135.11736	6.4
141.06990	2.4
143.08548	14.0
145.10124	13.0
147.08032	5.4
147.11693	33.9
149.09587	2.8
151.11121	2.4
157.10141	3.8
159.11624	3.1
161.09621	9.7
161.13269	11.4
165.06996	2.6
167.08582	2.6
171.11668	29.8
177.00731	5.6
179.51857	2.0
183.11674	3.5
189.12819	10.9
207.11969	3.4
207.13708	10.6
210.92368	2.3
234.92203	3.7
235.14812	3.6
252.93230	2.6
258.99731	2.9
263.14142	3.5
277.00845	7.3
281.17456	28.0
281.22000	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.75648	3.6
53.03928	4.5
55.05509	57.2
57.07082	29.4
57.07346	5.7
67.05175	4.2
67.05499	53.5
69.06721	6.0
69.07066	100.0
71.08614	9.3
79.05487	21.3
81.07056	80.1
83.04980	7.1
83.08619	68.3
85.06537	5.9
85.10136	5.8
91.05476	20.7
93.07050	30.7
95.04965	3.3
95.08062	4.6
95.08607	67.3
97.06510	14.5
97.10166	51.9
98.20695	6.5
99.08091	6.2
105.07015	28.9
107.08579	26.4
109.10146	42.9
111.08118	6.0
111.11723	25.2
113.09659	4.8
119.08575	24.7
121.10137	23.7
123.08010	5.3
123.11679	15.9
125.09617	6.1
125.13269	6.0
127.11196	3.8
133.10126	32.6
135.11696	19.9
137.09587	7.7
137.13229	12.1
139.11165	4.0
147.11684	24.2
149.13243	15.1
151.11160	11.6
151.14828	4.5
159.94289	3.9
161.13225	19.9
163.14836	8.7
165.12721	10.3
167.14243	7.9
175.14825	14.4
179.14287	10.9
179.17824	5.7
189.16475	8.7
193.15871	6.3
197.13304	4.2
219.21065	9.2
221.22632	12.9
245.22664	47.8
246.23058	4.9
263.23703	37.5
281.18970	12.3
282.27942	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02372	2.0
53.03253	1.2
53.03940	7.2
55.01859	5.8
55.05257	2.0
55.05510	38.4
56.96560	12.4
57.03435	32.3
57.07071	4.4
65.03938	5.3
67.05504	88.2
69.03427	4.9
69.06719	2.0
69.07067	25.4
69.48529	7.7
69.48937	2.1
71.04984	4.9
71.08625	2.9
73.02939	1.4
73.06554	2.6
74.97599	2.2
79.05492	100.0
81.03419	15.5
81.07054	73.8
82.07386	1.5
83.04485	2.7
83.04980	40.2
83.08614	13.6
85.02908	3.6
85.06544	2.5
91.05479	76.7
93.07043	75.8
95.04968	33.8
95.08607	49.9
95.09093	1.0
97.02893	4.9
97.06515	9.8
97.10172	7.2
98.97570	5.8
99.08099	2.2
103.05473	3.2
105.07030	62.1
107.04963	11.0
107.08591	29.7
109.06523	8.4
109.10140	13.6
111.08090	2.8
111.11789	1.1
111.58007	1.4
115.05444	3.0
116.98595	6.4
117.07012	11.7
118.26757	1.3
119.08578	34.5
121.06522	3.8
121.10111	7.1
123.08062	8.1
123.11729	3.1
125.05999	1.7
127.07563	1.3
128.06215	4.3
129.07004	17.8
131.08539	6.3
133.10124	16.4
134.99644	5.9
135.08063	3.9
135.11678	4.2
136.99605	1.4
141.06956	1.9
141.09039	1.8
143.08569	11.8
145.10117	13.4
147.08040	3.9
147.11684	39.0
150.99144	1.5
157.10110	2.1
161.09630	5.5
161.13239	16.8
163.11214	1.6
169.00194	1.8
169.10149	1.6
169.83969	1.4
171.11687	26.5
177.00650	1.8
179.14229	1.4
183.11749	1.7
189.12737	12.5
195.11708	1.4
201.06886	1.5
207.13762	11.9
215.06329	1.6
224.99167	2.2
238.17479	1.3
263.14023	2.5
272.14664	2.6
277.00674	3.4
281.14850	1.4
281.17416	34.3
281.22565	2.9
299.06332	2.1
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
53.03942	6.8
55.01860	7.0
55.05256	3.1
55.05511	41.2
56.96318	3.1
56.96561	26.8
57.03186	2.7
57.03438	34.0
57.07067	5.4
62.23556	2.0
65.03917	6.9
67.05505	91.9
69.03408	7.8
69.07069	29.1
71.04987	5.0
71.12147	5.3
73.06522	2.0
79.05492	100.0
81.03419	13.7
81.07057	84.0
83.04987	32.1
83.08620	12.0
85.02910	4.9
85.06540	6.0
86.94425	2.2
91.05478	64.1
93.07041	82.6
93.07625	4.1
95.04965	31.9
95.08604	45.4
97.02878	3.4
97.06539	14.1
97.10152	8.2
98.84766	1.8
98.97592	12.4
99.04465	2.1
101.05975	2.0
101.19172	2.1
102.29519	2.1
103.05447	3.3
105.07036	52.5
107.04944	5.7
107.08594	26.8
109.06507	12.4
109.10146	14.8
111.08070	3.9
114.09163	5.3
115.05451	2.2
116.98641	16.1
117.07009	10.2
119.08582	36.1
119.92753	2.1
120.80661	2.1
121.06523	3.7
121.10148	7.6
123.08045	8.7
123.11665	3.7
126.71654	2.3
127.07522	3.2
128.06200	4.0
129.06998	20.6
129.80638	2.5
131.08531	3.5
133.06468	2.4
133.10139	15.5
134.99687	14.3
135.11676	4.9
139.08763	2.1
143.08546	7.5
145.10126	16.1
146.99660	4.9
147.11690	42.2
150.99103	3.3
153.00742	2.9
158.99661	4.5
161.09550	4.2
161.13251	15.6
169.00188	3.0
171.08076	2.3
171.11687	27.6
175.82664	1.9
177.00679	3.9
182.15224	2.1
189.12750	13.3
191.11812	6.0
200.12431	6.8
207.13737	11.8
209.12979	3.9
210.92180	3.2
224.07088	2.6
224.99031	2.7
237.02716	2.1
252.93166	2.5
254.13422	2.5
258.99829	3.5
263.14044	11.5
272.14694	12.4
272.64819	4.7
277.00647	3.2
281.15030	14.0
281.17517	23.3
281.22284	3.5
281.65237	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.1
54.57465	3.4
55.01863	9.3
55.05511	39.4
56.52757	3.4
56.96562	23.4
57.03434	23.0
57.07064	10.4
67.05171	4.9
67.05505	78.7
69.03434	7.3
69.07059	27.0
71.04988	5.6
71.08624	7.1
79.05060	5.9
79.05493	100.0
81.03405	15.8
81.07059	80.3
83.04977	29.9
83.08606	13.0
85.06533	7.4
91.05483	74.6
93.07050	75.0
95.04960	37.2
95.08141	4.1
95.08617	44.5
97.02901	4.6
97.06513	7.8
97.10175	6.5
98.97576	32.0
103.05466	3.6
105.07030	54.7
107.04938	8.4
107.08592	30.8
109.06498	11.8
109.10146	14.4
116.12334	3.3
116.98621	38.9
117.07000	15.5
119.08578	60.3
121.06523	6.3
121.10148	13.5
123.08041	11.1
123.11714	5.0
128.06244	4.8
129.07005	19.0
131.00137	4.1
131.08565	14.4
133.06494	6.1
133.10130	23.2
134.99670	34.3
135.00681	4.9
135.08104	5.8
135.11705	8.4
143.08566	18.3
145.10118	20.9
147.08023	20.2
147.11691	35.3
149.01230	4.1
149.09625	4.4
151.11162	3.5
153.00723	8.0
155.08582	3.9
157.10123	13.0
158.99719	5.2
161.09634	9.2
161.13252	17.0
165.09131	8.3
167.08469	4.0
171.11697	27.6
173.13225	3.7
175.11203	4.8
177.00708	15.2
179.10410	3.3
183.11765	6.5
189.12721	11.0
191.02275	10.6
192.91182	4.9
199.14835	4.3
207.11816	4.0
207.13843	11.2
210.92181	4.7
217.15892	6.6
219.01709	4.6
234.92220	10.4
235.16870	5.2
244.99689	7.2
252.11032	3.6
252.93199	7.3
253.17953	4.2
258.99796	3.9
263.16357	8.9
270.09451	6.4
277.00793	19.3
281.17233	27.2
281.22366	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	10.2
55.01861	3.9
55.05511	38.8
56.96570	10.9
57.03437	30.0
57.07078	5.1
59.04973	1.5
65.03940	4.7
67.05505	81.3
68.05916	1.3
69.03426	3.6
69.07063	22.9
69.41080	1.1
71.04991	5.2
71.08626	2.6
71.59535	1.6
73.25626	1.3
79.05492	100.0
80.05793	1.5
81.03426	14.2
81.07056	75.3
83.04980	35.5
83.08623	12.3
85.02902	2.7
85.06549	4.5
87.04456	2.0
91.05476	73.0
93.07044	67.4
95.04963	33.5
95.08607	45.8
97.02901	3.0
97.06538	9.9
97.10164	5.9
98.97599	5.3
99.04436	1.8
99.08138	1.5
101.06010	1.4
105.04506	2.3
105.07031	55.3
107.04948	9.5
107.08588	29.9
109.06519	11.5
109.10164	13.9
111.08102	3.4
116.98637	7.8
117.07016	10.9
119.08576	39.6
121.06527	4.9
121.10178	8.4
123.08072	9.9
123.11705	4.8
125.05961	1.7
125.09671	2.1
127.07584	1.9
128.06227	2.1
129.07004	16.7
131.08563	4.9
133.06496	2.7
133.10129	15.6
134.99658	5.3
135.11716	4.1
137.09601	2.6
137.13260	2.9
141.06956	1.8
143.08545	12.1
145.10135	10.4
147.08032	3.4
147.11688	39.7
149.09680	1.4
156.09328	1.8
157.10081	1.6
158.99663	2.2
159.11667	3.0
161.02881	1.5
161.09610	7.3
161.13248	16.1
163.11139	2.2
169.10121	1.3
171.11694	27.0
175.04416	1.8
177.00708	4.1
179.10602	1.4
189.12723	9.5
207.13800	11.2
211.14853	2.0
243.53548	1.4
263.14047	2.6
263.16470	2.0
267.00055	2.0
272.14648	4.6
272.64755	2.1
277.00937	2.3
281.17422	33.4
281.22067	1.6
296.61002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03935	10.6
55.01862	6.5
55.05510	39.7
56.96558	15.9
57.03440	30.5
57.07063	8.4
59.04964	3.1
60.40044	2.4
61.82195	2.1
65.03925	4.8
67.05502	85.2
69.03421	5.2
69.07069	31.8
69.86686	4.0
69.87098	10.9
71.04975	4.5
71.08635	5.3
74.97614	2.9
75.79230	2.5
79.05492	100.0
81.03409	19.3
81.07053	80.2
83.04533	4.1
83.04984	36.0
83.08614	14.6
85.06549	6.5
91.05474	63.2
93.06467	4.2
93.07037	76.2
95.04964	32.5
95.08607	61.8
96.18874	2.6
97.06525	12.4
97.10164	9.4
98.97584	7.1
99.08046	4.0
105.06373	4.3
105.07029	50.4
107.04926	8.4
107.08604	27.8
109.06519	12.4
109.10139	16.0
111.08118	2.5
111.11688	3.2
115.05490	3.0
116.98601	9.7
117.07009	7.4
119.08575	40.0
119.88824	3.5
121.06467	6.3
121.10147	7.0
123.08050	9.7
123.11711	5.6
128.06226	6.6
129.06981	19.0
131.08545	9.3
133.10132	16.8
134.99664	9.5
135.08058	2.8
135.11665	5.9
141.06960	3.2
142.07816	2.6
143.08545	12.3
145.10083	14.7
147.08044	5.4
147.11664	40.6
151.07579	3.6
155.08592	3.2
157.10075	3.6
159.11688	3.8
161.09645	6.1
161.13249	16.4
162.99069	3.4
169.10144	3.4
171.11722	28.7
177.00650	4.0
181.10178	3.6
183.11723	5.0
189.12738	12.3
193.10066	2.6
197.13144	3.4
205.79800	2.8
207.13776	13.6
210.92184	3.2
234.92110	5.0
243.14323	4.8
253.15794	3.9
261.28809	3.1
263.14035	3.4
263.16440	3.5
272.14578	6.2
277.00851	5.4
281.17487	69.2
281.28564	3.9
299.16965	9.2
300.69159	2.7
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
53.03941	3.1
55.01869	4.3
55.05507	20.2
57.07075	11.2
61.51696	1.7
65.03926	3.4
66.47400	1.7
67.05502	100.0
69.06710	2.9
69.07059	29.3
70.79984	5.5
71.04993	4.0
71.08618	5.6
79.05488	27.5
79.64410	1.8
81.07052	93.2
83.04985	5.0
83.08625	9.9
85.06519	3.4
85.10196	1.7
85.22513	1.5
91.05460	12.9
93.07039	26.3
95.04966	4.6
95.08604	68.7
97.06531	6.7
97.10164	5.3
98.21515	1.5
99.08095	5.3
105.07034	6.6
107.08579	16.4
109.10149	31.6
111.08062	3.0
113.09633	2.4
116.75671	1.8
117.06999	3.5
119.08546	7.6
121.02901	2.9
121.10110	10.7
123.08085	2.7
123.11718	11.6
128.73808	1.6
131.08568	7.8
133.10138	4.8
135.11696	14.1
137.09628	2.1
137.13246	6.9
145.10121	5.4
147.11678	7.0
149.01134	2.9
149.02333	51.9
149.13261	4.6
151.11137	1.7
151.14749	2.5
153.12723	2.9
155.60609	1.4
159.11705	3.6
161.13307	4.4
163.14835	2.9
163.77992	1.6
165.12779	2.1
167.03412	2.5
167.10713	1.6
173.13252	4.6
187.14835	1.6
201.16499	1.7
219.05580	4.0
226.31984	1.8
233.22525	1.8
243.21088	3.9
261.22107	12.2
263.58350	1.6
277.61185	1.9
279.09372	4.8
279.23163	38.6
280.26285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02959	4.3
53.03937	7.3
55.01857	9.3
55.05512	33.8
56.96553	21.7
57.03432	23.5
57.07078	12.1
65.03932	5.1
66.76884	5.5
67.05505	82.6
69.03410	6.8
69.07071	28.6
70.13633	22.0
71.08674	5.6
79.05493	100.0
81.03423	15.0
81.07060	77.6
83.04984	34.4
83.08604	9.0
85.06529	7.8
91.05475	76.5
93.07043	73.4
95.04978	33.9
95.08608	57.2
97.02895	4.1
97.06505	7.5
97.10178	11.2
98.97601	26.6
105.07038	59.8
107.04928	10.2
107.08588	29.4
109.06516	14.4
109.10156	20.2
116.98629	33.6
117.07028	14.5
119.08584	43.8
121.06516	9.3
121.10148	13.9
123.08063	13.1
123.11707	4.9
127.46301	5.1
129.07001	20.3
131.08524	6.1
133.10138	24.4
134.99670	19.5
135.11674	10.9
137.09679	7.9
143.08546	14.3
145.10172	14.3
147.08057	7.9
147.11688	33.5
149.01199	8.0
149.02327	5.0
149.09673	5.7
151.99951	4.2
153.00673	7.2
158.99693	6.3
161.09665	6.7
161.13251	18.8
171.11678	33.0
175.14935	8.3
177.00716	11.4
189.12807	10.8
207.13750	11.7
229.07489	6.0
233.08012	4.8
234.92137	8.4
252.93321	5.3
277.00873	15.7
281.11319	6.9
281.17465	41.4
281.22412	9.4
282.05511	10.5
301.27628	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03926	1.3
55.05514	9.8
57.07080	2.1
60.71789	1.1
65.03936	3.0
67.05502	96.9
68.05827	1.8
69.07063	8.0
69.64558	2.5
69.64970	5.2
75.75365	1.0
76.25877	0.9
79.05489	13.5
81.07054	100.0
83.04978	1.8
83.08614	5.3
85.06520	1.1
85.12992	1.0
91.05476	4.7
93.07047	11.9
95.08601	73.3
97.06549	1.6
97.10167	3.2
98.21482	2.4
99.08092	1.5
105.07027	4.2
107.08578	7.2
109.06503	1.7
109.10155	24.3
110.10494	1.0
111.08090	1.3
113.09646	1.4
117.07036	1.2
119.08566	4.2
121.03004	1.0
121.10139	6.5
122.10370	1.0
123.08074	1.7
123.11689	14.0
131.08575	6.1
133.10114	3.9
135.08069	1.5
135.11700	5.9
137.13246	9.9
145.10173	2.3
147.11604	2.7
149.02332	4.4
149.09634	1.5
149.13245	5.0
151.14877	4.8
159.11681	3.2
161.13327	2.1
163.11159	2.0
163.14771	2.2
173.13280	5.8
177.12730	1.6
179.14320	1.7
181.12215	1.5
187.14830	3.4
191.14119	2.1
195.13931	2.4
205.15923	1.4
209.15346	4.2
223.16881	1.9
223.20441	1.2
237.18440	1.1
243.21156	2.6
261.22104	2.6
279.23187	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03946	1.4
55.01877	0.9
55.05507	8.6
57.03432	0.8
57.07080	4.2
65.03942	2.5
65.48375	0.4
67.05502	100.0
68.05850	0.9
69.07063	9.9
69.39612	4.0
71.04998	1.1
71.08635	0.5
71.73428	0.4
79.05491	14.9
81.07053	96.8
82.07390	1.3
83.04984	1.0
83.08615	4.9
85.06551	1.9
91.05464	4.6
93.07036	13.4
95.04960	1.3
95.08601	77.6
96.08942	0.9
97.06535	1.5
97.10155	3.3
99.08104	0.4
101.05991	0.4
105.07016	3.3
107.08591	8.8
109.06533	1.2
109.10151	44.1
110.10475	0.7
111.08091	0.7
111.11708	1.1
117.07012	1.3
119.08591	3.0
121.06502	0.4
121.10129	7.4
123.08079	1.5
123.11701	23.0
124.79347	0.4
125.09593	0.6
127.11199	1.0
128.76283	0.4
131.08577	4.0
133.10149	2.8
134.80438	0.4
135.08011	0.7
135.11710	5.3
137.09636	1.3
137.13243	8.6
141.09164	0.4
145.10115	3.1
147.11668	2.0
149.02324	4.2
149.09657	1.7
149.13249	2.7
151.11134	0.7
151.14816	2.4
153.09164	0.6
155.10789	0.4
159.11684	2.9
161.13263	1.5
163.11197	1.4
163.14848	1.6
165.12752	1.0
165.16592	0.4
167.10677	1.1
173.13271	3.4
175.14825	0.6
177.12718	1.5
177.16418	0.6
179.14359	1.1
181.12231	1.6
187.14830	2.9
191.14333	1.0
195.12251	0.5
195.13742	2.7
201.16371	0.5
205.15900	1.0
209.15344	2.6
219.21091	0.9
223.16907	2.7
237.18478	1.0
243.21132	2.7
261.22095	3.7
279.19861	1.8
279.23169	30.9
279.28659	2.2
280.23523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Crepenynate
Peak:m/z	Relative Intensity
52.22739	1.1
53.03939	2.2
55.01864	1.8
55.05513	12.3
56.96561	3.2
57.03435	1.7
57.06826	1.2
57.07078	18.2
58.06589	2.2
59.05026	1.1
65.03926	3.9
67.05505	80.4
68.05848	1.9
69.03416	2.4
69.06779	1.1
69.07070	13.2
70.10082	2.6
70.10501	3.1
71.08636	19.8
79.05488	18.9
81.03426	1.5
81.07055	100.0
82.07381	1.8
83.04987	5.4
83.08626	8.5
85.06523	3.0
85.10184	18.2
91.05478	17.1
93.07050	16.7
95.04976	2.2
95.08606	70.6
97.06520	4.4
97.10170	3.5
98.21426	1.4
98.97581	3.5
99.08095	16.4
102.05567	1.2
105.07026	9.7
107.08598	11.9
108.08927	1.2
109.06519	2.5
109.10152	24.9
111.04439	1.2
111.08077	2.2
113.09644	22.1
116.98640	4.5
117.07016	3.2
119.08590	6.4
121.02875	2.3
121.06501	1.2
121.10133	10.3
123.08033	2.0
123.11717	11.7
124.90341	1.1
125.09599	1.6
128.98563	1.6
131.08534	5.8
133.10109	11.6
134.99631	4.0
135.08067	3.0
135.11719	7.5
137.09634	1.3
137.13242	10.6
145.10138	4.1
146.99644	3.3
147.11688	12.6
149.02345	34.3
149.09624	3.5
149.13246	7.9
151.11163	2.9
151.14816	5.9
153.00652	1.2
153.12704	2.3
159.08054	1.6
159.11697	3.7
161.13300	3.8
163.11165	3.5
163.14828	4.3
165.12714	5.6
167.03406	1.2
167.10687	1.2
167.14323	3.1
173.13292	7.3
177.00696	5.1
177.12735	2.2
181.12323	1.3
181.15901	2.1
187.14836	2.0
189.00644	1.4
191.14273	2.3
195.13797	3.7
207.01846	1.7
209.15358	3.5
219.05618	1.3
223.16925	1.6
233.10580	1.4
233.22588	1.8
237.18594	1.4
243.21112	5.7
251.11818	2.6
261.22208	8.5
279.09351	2.9
279.23206	69.0
279.28543	16.0
294.43314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.53571	0.6
53.03946	1.8
55.05512	8.2
57.07079	6.5
60.99704	0.6
61.48509	0.7
65.03930	3.0
66.17456	0.5
67.01626	0.5
67.05503	100.0
68.05794	0.9
69.07066	7.3
71.04995	1.1
71.08633	3.5
71.11790	1.4
79.05495	12.4
81.07055	96.5
82.07387	0.9
83.04991	1.8
83.08624	4.4
85.06552	2.1
91.05485	3.9
93.07042	10.8
95.04984	1.0
95.08604	76.6
96.08949	1.0
97.06544	2.0
97.10165	2.7
105.07018	3.2
107.08591	8.3
109.06543	1.4
109.10152	25.5
112.62127	0.6
113.42375	0.6
116.98649	0.9
117.07034	1.9
119.08581	3.0
121.10133	6.5
123.08104	2.6
123.11700	16.0
127.07565	1.4
131.08580	5.1
133.10162	2.2
135.08051	1.0
135.11670	6.7
137.09622	1.5
137.13254	10.7
141.12755	2.5
145.10098	3.0
145.14828	0.6
147.11679	1.7
149.02327	6.0
149.09642	2.0
149.13243	3.7
151.11192	0.8
151.14818	3.3
159.11668	2.9
161.13307	2.2
163.11166	1.8
163.14827	2.3
165.16475	0.7
173.13278	4.5
177.00734	0.9
177.12820	2.3
177.16435	0.7
179.14375	0.9
181.12267	1.4
187.14883	2.2
191.14349	1.8
195.13826	1.7
201.16278	0.9
209.15323	3.3
219.21205	0.8
223.17017	2.5
232.97238	0.6
243.21092	1.8
261.22131	2.3
279.23203	20.9
300.65234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.60719	0.9
53.03944	1.3
55.01873	1.2
55.05507	10.2
57.07053	1.7
59.01965	0.9
64.03635	0.8
65.03934	2.1
67.05502	100.0
68.27229	0.8
69.07071	8.2
69.55535	2.0
69.55949	4.7
71.04982	0.8
73.04256	0.8
74.37036	0.8
79.05491	14.1
81.07056	98.4
82.60578	0.8
83.04974	1.1
83.08608	6.4
84.86752	0.8
85.06551	1.4
91.05460	5.7
93.07047	12.4
95.08603	79.2
96.08971	0.9
97.06519	1.7
97.10175	2.0
98.20829	1.5
105.07011	2.7
107.08602	8.7
109.06534	1.0
109.10149	24.6
117.06995	2.4
119.08578	3.0
121.10149	6.6
123.08075	1.4
123.11708	14.2
125.09569	1.4
127.07591	1.0
131.08534	6.3
133.10118	3.0
135.08119	0.7
135.11702	5.7
137.09608	1.2
137.13243	12.5
145.10126	3.1
147.11667	2.5
147.91852	0.7
149.02322	2.9
149.09650	2.0
149.13257	5.0
151.14813	4.0
153.09123	1.3
159.11694	3.0
161.13257	1.9
163.11177	1.8
163.14926	1.5
165.16438	1.0
167.10745	1.0
173.13298	5.1
177.12723	2.7
177.16313	1.7
181.12305	1.7
187.14803	2.5
191.14319	2.5
195.13818	3.1
196.71442	0.9
209.15398	2.8
220.24461	0.9
223.16899	3.0
243.21144	2.2
261.22092	3.6
279.23184	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.38890	1.0
55.05261	1.2
55.05510	17.8
56.96563	1.1
57.07060	4.4
62.58170	1.0
64.62854	1.0
65.03929	1.5
67.05503	86.0
68.05848	1.5
69.07068	14.9
70.04986	5.9
71.04979	2.9
71.08607	1.5
79.05492	21.9
81.07055	100.0
82.07396	1.6
83.04985	1.6
83.08624	10.6
85.06550	3.5
85.47027	1.1
87.20866	1.1
91.05482	10.0
93.07043	25.0
95.04955	2.5
95.08604	90.4
97.06525	8.6
97.10163	5.2
98.21512	1.7
98.97569	2.8
99.08067	2.4
105.07024	7.5
107.08591	11.8
109.10155	34.9
111.08056	4.1
116.98599	2.5
117.07034	1.8
119.08592	7.5
121.10142	15.2
123.08051	2.6
123.11718	13.3
125.09628	1.5
131.08591	5.2
133.10143	6.9
134.99681	1.8
135.08017	2.6
135.11691	13.6
137.09654	2.6
137.13232	6.5
139.11205	1.3
145.10153	4.5
147.11711	6.4
149.02339	12.0
149.09668	2.2
149.13246	5.5
151.11081	1.5
151.14861	1.4
159.11670	3.2
161.13211	6.6
163.11169	2.3
163.14839	2.3
165.12794	3.0
172.95216	2.3
173.13257	3.0
177.00710	1.4
177.12724	1.8
177.16367	1.5
179.14290	1.7
181.12267	1.4
187.14809	3.8
190.96254	1.5
195.13826	1.4
195.17497	1.4
209.15364	2.1
219.21016	1.6
228.97993	1.2
243.21042	4.7
261.22141	12.2
279.23209	31.7
280.23474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03933	0.7
54.61739	0.5
55.05503	8.5
57.03443	0.6
57.07064	1.7
65.03926	2.5
67.05498	100.0
68.05846	1.0
69.03419	0.8
69.07063	7.9
70.39942	2.1
71.05000	1.3
71.08556	0.5
77.26063	0.5
79.05483	12.7
81.07048	98.3
82.07381	0.8
83.04944	0.5
83.08602	4.6
85.06540	1.0
91.05475	2.9
93.07037	8.6
95.04969	0.8
95.08597	68.4
96.08933	0.7
97.06535	1.6
97.10171	2.1
105.07008	2.5
107.08584	6.1
109.06487	0.5
109.10144	40.3
111.11711	0.7
117.06974	0.9
119.08568	2.3
121.10119	4.8
123.08096	1.1
123.11695	22.7
125.09605	0.6
127.07531	0.5
131.08571	2.7
133.10130	1.9
135.07982	0.5
135.11646	3.6
137.13239	7.5
145.10139	1.5
147.11647	1.3
149.02341	0.9
149.09639	0.7
149.13286	1.4
151.11121	1.0
151.14793	1.7
159.11716	1.8
161.13235	1.8
163.11183	0.6
163.14819	0.9
165.12817	0.8
167.10632	0.6
173.13197	2.4
173.66241	0.4
177.12753	1.3
177.16360	0.6
179.14218	0.8
181.12198	0.8
187.14766	1.2
191.14404	0.6
195.13792	1.4
205.15848	0.8
209.15393	1.4
222.76628	0.5
223.16930	1.7
237.18474	0.8
240.89502	0.5
243.21025	0.8
261.22113	2.2
279.23160	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03948	1.7
55.01870	0.7
55.05253	0.8
55.05509	10.3
57.03436	1.3
57.07073	2.6
59.65244	0.4
60.95848	1.6
63.94660	0.4
65.03939	2.9
67.05502	100.0
68.05843	0.7
69.03433	0.4
69.07066	9.5
71.04998	1.3
71.08652	0.4
71.50539	0.8
79.05489	14.7
81.07053	97.8
82.07396	1.1
83.04998	1.2
83.08618	5.3
85.06550	1.1
89.77377	0.4
91.05470	5.7
93.07043	13.9
95.04979	1.4
95.08604	85.8
96.08943	1.2
97.02859	0.5
97.06529	1.6
97.10168	3.2
99.08062	0.6
101.06059	0.5
102.96911	0.6
105.07021	4.0
107.08587	9.7
109.06540	1.0
109.10152	47.0
110.10477	0.7
111.08080	1.0
111.11736	0.9
117.07011	2.0
119.08586	3.9
121.10135	7.8
123.08075	1.2
123.11704	25.4
124.12021	0.7
131.08563	4.2
133.10139	3.2
134.99455	0.7
135.08102	1.0
135.11684	5.1
137.09599	1.1
137.13258	8.2
141.09200	0.5
145.10135	3.4
147.11659	2.8
149.02327	2.9
149.09639	1.1
149.13263	2.9
151.11188	0.6
151.14804	2.1
153.00499	2.1
157.03906	0.5
158.03244	2.6
159.11705	2.1
161.13257	2.7
163.11137	1.9
163.14870	1.9
165.12762	1.2
165.16415	1.2
167.10654	0.9
169.54031	1.0
171.01501	0.8
173.13225	2.8
175.14839	0.6
177.12759	1.3
177.16441	1.2
179.14355	1.0
181.12231	1.4
187.14825	3.3
191.14333	1.6
191.16043	0.5
195.13835	2.6
201.16397	0.9
205.15936	1.5
209.15347	2.3
219.21062	1.0
223.16948	3.4
237.18509	1.6
243.21082	2.5
261.22122	3.7
279.13385	1.2
279.19839	1.9
279.23169	34.4
280.23517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03937	0.4
54.36828	0.3
55.01875	0.7
55.05516	1.7
56.96564	2.6
57.03430	0.8
57.07073	2.1
58.99567	0.3
65.03927	0.6
67.05508	3.2
68.88724	0.3
69.03425	3.7
69.07070	1.4
69.89874	1.5
70.06577	0.4
71.04986	0.8
71.56938	0.3
72.08144	0.3
77.03883	0.3
79.05499	1.7
81.03407	1.2
81.07049	1.8
83.04979	0.8
83.08602	0.5
84.08135	0.4
85.02903	1.8
85.06522	1.2
85.81242	0.3
86.09705	8.2
87.04468	0.9
91.05495	3.3
93.07036	3.7
95.04993	1.4
95.08598	4.4
96.08946	0.3
97.02896	2.0
97.06549	0.7
98.97583	6.7
103.05463	5.6
105.07020	3.3
106.59338	0.3
107.04272	0.5
107.04961	4.7
107.08591	1.2
109.02878	0.6
109.06510	1.1
109.10206	0.5
110.06085	0.4
115.03966	0.3
115.05464	0.6
116.01662	0.4
116.98615	6.5
117.07026	1.7
119.08582	2.8
120.01143	0.4
120.08102	100.0
121.02847	0.8
121.06493	1.3
121.08442	1.0
121.10114	1.7
123.08087	3.0
123.11672	0.5
127.03906	0.4
128.06207	0.6
128.98593	0.6
129.06998	1.3
131.00160	0.4
131.04962	0.5
131.08575	2.2
132.10199	2.8
133.06502	1.1
133.10147	1.3
134.99649	4.6
135.04410	0.3
135.08047	1.0
135.11707	0.3
137.09554	0.4
141.07007	0.9
141.45981	0.3
143.00169	1.1
143.08569	1.5
144.09334	0.3
145.06470	1.4
145.10098	2.7
146.07332	0.5
146.99663	0.9
147.08047	1.8
147.11681	3.5
148.03966	0.9
149.02332	14.7
149.09651	1.4
151.07568	1.3
153.00682	0.8
154.07814	0.7
155.08545	0.5
156.09384	0.4
157.06540	0.6
157.10139	0.6
158.07254	0.8
158.99670	1.3
159.04413	0.7
159.08040	4.2
159.11681	1.2
161.01216	3.2
161.05994	0.5
161.09601	1.6
161.13239	0.7
162.02187	1.1
162.10370	0.6
163.07469	0.4
163.11227	0.4
165.00824	0.3
165.07033	0.3
169.10152	1.3
170.99612	0.6
171.08099	0.6
171.11652	0.4
172.08772	1.5
173.01271	0.4
173.05891	0.4
173.07178	0.6
173.09576	2.5
174.10376	1.0
174.99223	0.5
175.07541	0.6
175.11104	0.5
177.00706	3.1
177.09007	0.4
178.23474	0.4
179.02283	0.7
179.08679	0.5
181.04990	0.6
182.99806	0.3
185.03949	1.4
187.07539	0.5
187.11165	1.4
189.00711	2.3
189.09126	0.4
189.12773	1.1
190.09920	1.2
191.08290	0.9
191.10620	2.6
194.04401	0.3
195.01733	0.6
197.09697	1.4
201.00670	2.1
205.08633	0.3
205.12180	0.6
207.01810	1.1
207.13808	1.6
213.07811	0.3
215.10680	2.0
219.01718	2.3
219.05681	0.4
221.08096	0.4
231.01732	0.5
233.08023	0.4
233.11671	2.0
233.16513	2.5
237.02832	0.8
243.10118	1.4
249.02827	4.2
250.82169	0.3
261.11279	1.8
261.15027	0.4
263.09692	0.3
267.03906	1.6
279.09579	1.8
279.12344	3.6
279.17032	3.0
281.10562	0.4
291.03860	3.9
292.04340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05512	0.8
56.96561	1.7
57.05801	0.4
57.07073	2.3
58.06593	0.6
65.03954	0.3
67.05505	0.9
69.03439	1.9
69.07066	12.4
70.06592	0.8
70.47391	0.3
71.04994	0.5
71.59793	0.3
72.08138	0.8
79.05502	1.3
81.03410	1.0
81.07051	1.1
83.04987	0.7
83.40112	0.3
84.08135	0.5
85.02909	0.5
86.09703	100.0
87.04433	0.3
87.10012	0.7
91.05472	2.7
93.07049	0.9
95.04971	0.8
95.08591	0.7
97.02908	0.7
97.06499	0.4
97.32693	0.3
98.97570	3.4
105.07041	1.7
107.04942	3.9
107.08581	0.9
109.02937	0.3
110.97590	0.4
111.04453	0.4
111.08102	0.5
115.05449	0.4
116.98621	3.2
117.07024	0.9
119.04955	0.3
119.08588	1.1
120.08101	8.8
120.08929	0.6
121.02863	0.5
121.06510	0.6
121.10108	0.7
128.06232	0.4
128.98596	0.6
129.07004	1.8
131.04988	0.3
131.08578	2.0
133.06522	0.5
133.10138	0.6
134.99637	2.9
135.07991	0.7
136.07532	0.5
141.06955	0.4
142.07797	0.4
143.08575	0.7
144.05737	0.5
145.06497	1.2
145.10115	1.9
145.47379	0.3
146.99644	1.0
147.04437	0.9
147.08029	1.4
147.11649	0.4
149.02341	13.4
149.05956	0.4
149.09607	0.7
153.00748	0.4
155.08588	0.9
157.06494	1.4
158.07263	0.9
158.99675	0.9
159.08051	9.4
159.11629	0.6
161.01305	0.6
161.05980	0.5
161.09648	1.0
162.02145	0.5
162.06805	0.7
162.10403	0.9
163.11169	0.4
166.08649	4.0
169.10139	0.9
169.73869	0.4
170.99619	0.5
171.08087	0.8
172.08852	2.4
173.09628	5.5
174.10429	2.5
175.07553	1.9
177.00719	3.1
177.09161	0.3
182.07344	0.4
187.07568	0.5
187.11211	0.6
189.00740	1.1
190.08127	0.5
190.09892	8.9
191.10573	0.9
197.09668	1.3
201.00691	0.5
201.09148	0.4
207.01711	0.5
215.10733	1.1
219.01854	0.7
219.08134	0.6
233.11678	0.7
237.02837	0.6
243.10251	1.5
251.10669	1.0
261.11276	1.6
279.04010	0.5
279.09543	0.8
279.12341	4.3
279.16937	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01854	0.3
55.05510	36.1
56.96553	0.4
57.07076	0.9
57.98800	0.3
58.09441	0.2
58.99583	18.9
61.01144	1.1
67.05499	0.5
69.03425	0.2
69.07060	0.4
71.04993	0.5
72.08189	0.2
73.01142	1.9
76.02232	4.7
76.04005	3.9
79.05485	0.5
81.03383	0.2
81.07059	1.0
83.04956	0.3
83.08617	30.1
84.08920	0.2
85.01117	0.3
86.09702	0.3
86.99052	15.3
87.66821	0.2
88.02209	4.1
88.71603	0.2
91.05480	3.4
93.07027	0.4
95.08650	0.2
97.02875	0.3
98.97581	1.0
99.02651	0.5
101.09648	1.3
105.07058	0.5
107.04961	0.8
107.08633	0.4
115.05822	0.7
116.01674	58.2
116.07100	0.5
116.98603	0.8
117.01955	0.3
119.08631	0.4
120.08057	0.3
121.02841	0.2
129.07265	0.7
130.05020	0.6
131.08574	0.5
133.10069	0.3
134.99733	0.5
135.08026	0.3
136.07585	0.4
138.54977	0.2
141.07307	0.3
144.01144	27.5
145.10141	0.5
147.09131	0.5
149.02345	7.0
158.99699	0.3
159.08363	7.3
162.02197	100.0
163.02510	0.4
172.08850	0.3
173.09596	0.4
174.10417	0.5
177.00670	0.4
179.04906	0.4
187.11250	0.3
189.00714	0.3
191.10744	0.3
197.09642	0.7
205.12213	0.3
215.10699	0.4
219.01700	0.4
233.11731	0.4
237.02824	0.8
244.09984	1.1
261.11157	0.4
262.11078	19.1
279.03888	0.4
279.09464	0.4
279.13974	1.2
293.25635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03928	0.2
55.05515	0.2
56.96543	0.5
57.07060	0.7
58.22419	0.1
67.05501	0.3
69.03425	0.4
69.93730	0.7
70.06586	0.2
71.04998	0.1
72.72570	0.1
78.88148	0.1
79.05482	0.4
81.03410	0.2
81.07045	0.3
82.36829	0.1
85.02921	0.1
86.09706	5.3
91.05479	1.3
93.07047	1.9
95.04974	0.6
95.08583	0.3
97.02903	0.3
98.97579	1.9
103.05469	5.9
104.05905	0.1
104.47989	0.1
105.03421	0.1
105.07027	0.6
107.04942	0.6
107.08558	0.2
109.06513	0.2
109.10088	0.2
110.97535	0.2
113.69883	0.1
116.98620	1.9
117.07001	0.4
118.06512	0.2
119.08589	0.3
120.08105	100.0
121.02884	0.2
121.08428	1.2
123.08116	0.2
128.98593	0.6
129.06992	0.3
131.04924	0.2
131.08583	0.5
132.10207	2.0
133.06520	0.3
133.10121	0.2
134.99675	1.6
135.07957	0.1
141.06973	0.2
143.08565	0.2
145.06520	0.2
145.10094	0.7
146.99655	0.9
147.04387	0.2
147.08102	0.3
149.02342	4.9
149.05975	0.2
153.00732	0.4
154.07701	0.2
157.06548	0.3
158.07199	0.2
158.99661	0.7
159.08046	2.5
159.11687	0.2
161.01195	0.2
161.09665	0.2
165.00798	0.3
166.08678	0.2
167.03464	0.2
169.10162	0.3
170.69933	0.1
171.08078	0.3
171.11725	0.1
172.08836	1.4
173.09612	0.9
174.10399	2.3
177.00688	2.0
181.05002	0.2
187.11180	0.4
189.00711	0.9
190.09846	0.2
191.10568	0.3
195.01869	0.2
197.09669	0.4
207.01788	0.4
213.07741	0.1
215.10703	0.7
222.08264	0.3
233.11754	0.5
233.16481	1.1
237.02794	0.3
243.10175	0.4
261.11209	0.8
279.03912	0.2
279.09225	0.4
279.12329	1.5
279.16980	3.0
297.05185	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	279.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54303	1.0
54.29301	1.1
55.05497	1.4
56.96564	6.4
57.03427	1.6
57.07071	10.5
67.05504	2.7
69.03430	2.9
70.06593	46.3
70.51997	4.0
77.00488	1.0
79.05508	1.1
81.03427	1.1
81.07040	3.2
84.96051	1.6
85.02901	3.5
87.04494	1.2
91.05479	31.3
95.08559	1.4
97.02905	2.7
98.97577	10.5
105.07018	2.0
107.04955	6.1
107.08566	2.0
109.06503	1.4
114.05520	4.5
116.07094	89.7
116.98639	12.3
119.04942	19.8
121.02859	3.6
121.06524	2.0
128.98595	3.7
131.08517	1.2
134.99666	12.5
136.07579	100.0
141.10172	1.4
146.99652	4.7
147.04390	9.3
149.02347	69.7
153.00710	2.7
158.29497	1.2
158.99663	2.4
159.08052	1.2
161.01256	1.5
167.03413	2.3
174.10373	1.3
177.00697	12.4
189.00670	5.4
195.01785	2.3
198.04675	2.9
207.01668	2.0
217.07240	3.1
219.05537	1.2
237.02875	5.5
255.03874	4.9
262.10812	3.2
279.04041	1.7
279.13391	12.1
279.23264	1.2
297.05161	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	279.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98795	0.8
53.03946	1.3
55.05510	32.7
56.96570	1.9
57.07069	3.1
58.99587	18.2
60.55885	0.7
61.01157	1.1
65.03926	1.0
67.05508	1.2
69.03415	3.3
70.06595	1.6
70.70507	2.3
72.08150	0.8
73.01134	1.7
76.02222	5.5
76.03995	3.2
79.05489	1.3
81.03413	4.1
81.07048	1.8
81.82456	0.8
83.08614	28.1
85.02940	1.0
86.99052	13.8
88.02201	4.7
91.05461	2.5
93.07043	2.0
95.04989	1.1
97.02892	1.5
98.97578	6.0
101.09657	1.7
105.07026	3.1
107.04948	11.9
107.08583	1.9
109.02869	1.8
109.10167	1.2
116.01674	54.2
116.98611	6.2
117.06998	1.5
119.08531	1.2
121.02871	1.1
127.03934	1.0
128.98575	1.6
129.07172	1.4
131.08560	2.7
133.06491	1.1
134.99675	4.5
141.07013	1.4
143.08572	1.4
144.01146	21.1
144.05688	1.0
145.06485	3.0
145.10106	1.8
146.99663	1.2
147.04373	1.2
147.08075	1.4
149.02336	26.5
154.07733	0.9
156.03053	0.8
158.07394	0.8
158.99663	2.0
159.08253	13.9
159.11633	1.2
161.05963	1.7
162.02200	100.0
167.03450	1.2
168.06000	0.8
169.10094	1.1
172.08823	0.9
173.09673	2.0
174.10402	5.4
177.00717	4.7
187.07539	1.1
187.11307	1.6
189.00731	1.1
193.04929	2.1
195.01801	0.9
197.09592	1.6
201.05377	1.2
201.09166	1.5
215.10635	1.5
219.10097	0.9
229.08624	1.0
233.08191	2.1
236.12944	1.0
237.02855	1.6
243.10231	1.2
261.11142	2.1
262.11099	18.5
279.03976	0.8
279.09317	1.8
279.12445	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	279.1226
Annotation	Pentalenolactone F
Peak:m/z	Relative Intensity
50.02167	2.7
52.33586	2.7
53.03941	3.0
55.01868	5.9
67.05509	4.7
69.03432	4.1
69.38061	7.2
69.38461	27.2
71.04988	11.0
71.57573	2.8
79.05495	8.6
81.03447	3.5
81.07060	12.7
85.02914	6.2
86.09701	83.9
91.05479	24.4
93.07045	12.3
95.08638	5.0
98.97577	5.1
103.05476	7.4
105.07039	23.4
107.04942	21.4
107.08604	10.6
117.07035	18.6
119.08555	14.8
120.08113	78.2
121.06502	13.8
123.04494	3.3
123.08048	4.7
128.06215	6.6
129.07018	15.1
130.07797	7.4
131.04912	7.5
131.08562	34.9
133.06494	10.0
133.10123	3.6
135.04446	4.1
135.08055	12.4
135.11694	4.6
141.07050	7.6
143.08562	13.4
144.05713	7.3
145.06497	28.1
145.10114	68.5
147.08038	26.2
149.02365	11.4
149.05936	7.3
149.09622	10.5
154.07750	5.2
155.08539	7.8
157.06493	9.6
158.07294	14.8
159.08052	54.3
159.11705	11.9
161.09641	24.9
163.07561	8.6
163.11154	18.6
166.08653	9.6
169.07683	3.1
169.10172	12.2
171.08034	11.2
172.08827	8.4
173.05978	5.1
173.09633	66.3
174.10417	4.0
175.07570	10.8
177.09062	4.3
179.08556	4.2
185.09634	8.2
187.07597	6.3
187.11195	36.3
187.43166	3.2
189.09221	5.4
190.09839	17.1
191.10667	100.0
197.09666	16.3
205.12270	9.3
215.10667	46.0
233.11720	60.9
237.89485	3.1
243.10199	16.8
261.11191	7.4
261.22507	2.8
279.12259	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	279.1226
Annotation	Grandilobalide C
Peak:m/z	Relative Intensity
55.01867	1.3
55.05496	1.1
56.96573	1.0
57.07058	1.5
67.05512	4.9
69.03429	16.6
69.07074	1.4
69.48400	5.2
71.04965	0.7
79.05479	3.5
81.03417	5.7
81.07047	3.7
82.56453	0.6
83.01337	0.8
83.04982	1.3
85.02892	2.1
87.04468	12.8
91.05472	5.0
93.07056	4.2
95.04974	4.2
95.08599	2.6
97.02893	4.7
97.06516	1.5
98.97575	3.1
99.04459	0.6
99.53730	0.6
101.02366	3.8
103.05472	0.7
105.07018	10.3
107.04954	33.5
107.08594	7.5
109.02882	2.1
109.06508	4.3
109.10120	2.8
111.04426	0.9
111.08073	0.9
113.02345	1.0
115.05430	1.1
116.98610	2.7
117.07013	2.9
119.04968	0.9
119.08602	5.1
120.08105	2.3
121.02847	0.6
121.06497	3.0
121.10132	3.6
123.04406	0.9
123.08064	2.6
127.03894	3.0
128.06187	0.9
129.06996	2.3
130.07791	1.1
131.08556	6.0
133.06500	2.0
133.10135	4.1
134.99611	1.9
135.08031	2.5
135.11731	0.7
137.09607	11.8
141.06964	1.7
142.07750	1.7
143.08569	2.2
144.09306	1.2
145.06474	3.1
145.10124	11.9
146.07297	0.7
147.08070	2.9
147.11656	3.7
149.02348	11.7
149.09630	3.0
150.06195	0.6
151.11186	1.1
154.07797	2.0
155.08458	1.5
157.10120	2.8
158.07231	3.4
158.99648	0.9
159.08054	8.7
159.11687	8.4
161.09669	1.8
163.07407	0.7
163.11174	3.9
169.10130	3.1
171.08080	2.5
172.08878	1.5
173.09619	12.7
174.10406	6.3
175.07610	0.9
175.11194	7.2
177.00713	2.5
177.12671	0.8
179.08543	0.8
180.09962	0.7
182.07295	1.3
185.09647	0.7
187.11169	14.6
191.10654	1.7
197.09654	3.7
203.10634	1.1
205.12222	5.0
213.07698	1.3
215.10716	5.3
216.64598	0.7
222.08302	1.4
225.09152	0.9
233.11719	4.8
279.12271	100.0
280.12631	2.4
281.10736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
53.03935	4.1
55.01855	4.9
55.05500	7.1
56.96558	3.7
57.03433	5.6
57.07073	6.2
67.05494	6.1
69.03416	12.3
69.07066	4.3
70.06570	2.4
70.85635	6.6
71.04985	5.3
72.08154	2.6
79.05496	9.1
81.03411	3.3
81.07060	7.3
83.04975	2.9
85.02905	8.5
86.09735	4.0
87.04474	3.3
91.05479	24.5
93.07044	20.5
95.04971	8.7
95.08610	4.7
97.02919	5.9
97.06509	2.7
98.97588	9.7
99.04485	4.5
103.05473	3.8
105.07014	26.2
107.04960	12.8
107.08599	14.6
108.47870	2.1
109.06526	6.9
111.04361	2.9
115.05466	8.7
116.06169	2.6
116.98617	11.0
117.07014	25.5
119.04937	3.9
119.08592	19.1
121.02885	4.0
121.06494	20.3
121.10147	9.3
123.04451	2.4
123.08076	4.1
128.06229	9.0
128.98619	2.8
129.07002	19.1
130.07773	8.3
131.04890	3.9
131.08569	64.3
131.09511	4.5
133.06503	7.9
133.10129	8.3
134.99689	6.0
135.08099	10.9
137.06038	2.7
137.09634	4.1
137.80568	2.2
141.06990	20.8
142.07774	10.1
143.08572	16.5
144.05711	15.6
144.09328	5.9
145.06505	27.4
145.10123	32.1
146.99582	3.6
147.08035	16.7
149.02328	38.8
149.05998	3.7
149.09618	13.1
153.07011	3.8
154.07727	13.8
155.06041	3.0
155.08574	9.5
156.09332	4.0
157.06499	7.1
157.10106	10.7
158.07281	15.7
158.99690	3.4
159.08054	100.0
159.11652	23.3
161.05986	5.5
161.09630	7.7
163.07545	5.6
165.06978	2.9
167.07043	2.5
167.08592	3.1
169.06429	4.7
169.10138	37.5
170.07274	6.5
171.08064	8.1
171.11696	5.3
172.08835	11.4
173.06017	10.2
173.09657	23.3
174.06796	3.8
174.10428	11.1
175.07532	7.2
175.11194	10.3
177.00723	11.2
177.09108	9.9
177.12750	4.0
179.08607	6.2
182.07320	6.9
185.06023	2.9
185.09677	12.5
186.06697	4.9
187.07553	40.0
187.11183	55.6
188.08141	2.5
189.09113	4.7
191.06973	3.4
191.10684	9.1
197.09601	31.5
198.10362	2.7
200.08305	3.0
201.09135	6.2
203.10701	4.7
205.08720	2.6
205.12228	6.9
215.10670	86.6
217.08644	3.7
219.10045	2.9
225.09070	4.7
229.08633	2.7
233.08122	5.5
233.11728	27.0
243.10158	27.9
261.11179	19.4
264.90753	2.3
279.09473	2.4
279.12277	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Hyporadiolide
Peak:m/z	Relative Intensity
53.03942	2.0
55.01867	13.6
55.05518	4.3
56.96571	2.9
57.07066	5.3
61.34061	1.5
65.03957	2.2
67.05499	2.9
69.03426	5.0
69.07059	3.4
70.06581	7.1
71.60194	2.4
72.08131	1.8
79.05487	5.5
79.76698	1.9
81.03439	1.8
81.07055	4.7
83.08603	3.3
84.08120	2.5
91.05468	12.8
95.04964	3.5
98.97565	4.2
103.05467	6.0
105.07044	11.2
107.04948	17.8
107.08597	2.2
109.02878	1.9
111.04323	1.7
115.05442	32.8
116.01712	2.9
116.06227	5.9
116.93218	1.7
116.98636	5.2
117.07026	34.0
119.04934	2.8
119.08588	6.6
121.02869	3.1
121.06493	3.9
128.06212	17.3
128.98610	2.0
129.07013	19.2
130.04137	2.7
130.07796	8.3
131.04903	14.1
131.08597	10.2
132.05692	6.3
133.06483	5.9
133.10054	1.9
134.99673	5.0
137.05911	1.8
141.06996	26.0
142.07803	4.6
143.04927	6.2
143.08545	13.3
144.05698	21.9
145.06482	65.5
145.07635	3.7
145.10120	8.4
146.99612	1.8
147.04404	3.3
147.08034	11.6
149.02338	53.4
152.06210	3.3
153.06981	8.8
154.07776	3.6
154.97951	2.0
155.04887	3.6
155.06038	7.0
155.08545	16.0
157.06540	11.9
158.03658	7.3
158.07281	34.5
159.04416	7.5
159.08044	25.1
160.05240	6.5
161.05972	6.9
162.02216	7.0
162.06682	2.0
163.07584	2.0
165.06976	11.0
167.03397	3.5
167.07069	4.6
168.05666	10.4
169.06453	23.7
169.10091	2.8
170.07234	6.2
171.04405	6.0
171.08084	12.4
172.05229	7.4
172.08853	9.4
173.05978	25.3
173.09605	33.6
174.06764	4.7
174.10414	9.3
175.03931	3.5
175.07533	18.0
176.04649	2.1
177.00697	6.4
177.05585	2.5
177.09067	2.3
182.07228	2.7
183.04468	2.0
183.08017	21.1
185.06000	9.7
186.03146	2.0
186.06750	12.5
187.07553	25.1
188.04756	2.6
189.00719	2.7
189.05453	3.8
189.09138	5.0
190.06273	7.3
190.09869	2.3
191.06938	3.7
192.07869	3.5
193.08662	4.4
196.05338	1.9
197.05995	4.8
198.06769	3.7
199.03885	2.4
199.07544	3.7
200.08330	6.5
201.05472	28.6
201.09102	68.1
203.06999	13.9
204.07953	3.1
205.04964	2.6
205.08582	22.6
206.09505	2.4
207.10193	12.6
211.07516	8.5
212.35078	1.9
213.05515	3.5
214.06381	8.3
215.07077	7.8
215.10637	5.1
217.08566	3.0
218.05771	3.0
218.09387	7.2
219.10136	19.6
220.07352	2.0
228.07840	2.8
229.08565	36.6
231.06581	2.0
233.08086	100.0
233.11575	18.6
243.10088	11.8
246.08788	11.4
247.09726	2.3
251.09099	3.2
261.11212	54.4
279.09528	2.4
279.12280	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	279.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
51.44229	0.2
53.03948	2.4
55.01861	0.4
55.05490	0.3
57.03437	0.3
57.07066	0.5
58.85622	0.2
63.60724	0.2
69.03425	18.3
71.04490	0.4
71.04974	1.9
72.81895	0.2
79.05482	1.2
81.03413	19.1
81.07034	0.5
81.19169	0.3
85.02906	1.7
86.09679	0.3
91.05475	0.7
93.07034	0.6
94.97922	0.2
95.04964	0.8
95.08601	0.4
97.02887	7.2
97.03510	0.4
98.97571	0.3
99.04443	2.7
105.07019	0.8
107.04948	100.0
108.05243	0.4
109.02870	7.0
116.98621	0.3
117.07011	0.5
119.08582	0.6
120.08098	0.3
127.03905	7.8
127.04794	0.5
129.07001	0.6
131.08589	0.4
143.08600	0.3
145.06410	0.3
145.10117	0.8
147.08008	0.5
149.02335	4.7
153.05424	0.5
154.08925	0.2
155.08452	0.2
157.06535	0.3
159.08035	1.7
161.05972	0.3
161.09666	0.3
162.06696	0.3
163.11089	0.3
173.09630	1.9
187.11192	0.5
189.49098	0.3
190.09920	1.3
191.10629	0.5
204.05745	0.3
206.35448	0.3
215.10802	0.3
233.11627	0.4
251.10609	0.3
279.08624	8.5
279.12189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1227
Annotation	Pentalenolactone F
Peak:m/z	Relative Intensity
51.65793	1.7
53.03941	4.8
55.01871	9.5
55.05512	6.1
56.63811	1.9
56.96564	10.4
57.03426	4.7
57.07077	11.5
63.88907	1.7
65.03943	1.8
67.05498	13.4
69.03445	10.3
69.07053	7.8
69.72549	10.8
71.04990	18.1
71.08628	2.2
79.05488	13.6
81.03396	7.3
81.07055	24.9
83.04976	3.0
83.08638	2.8
85.02908	10.6
86.09702	6.4
87.04465	2.7
91.05475	32.0
93.07049	23.8
95.04952	13.1
95.08599	14.3
97.02898	6.1
98.97569	8.6
99.04441	3.6
103.05441	6.2
105.07022	39.9
107.04955	29.3
107.08586	20.2
109.02872	4.6
109.06497	6.6
109.10146	7.8
111.04424	4.9
111.08027	2.4
113.46712	2.0
115.05442	5.3
116.98614	8.0
117.07021	21.5
119.04919	4.6
119.08580	22.8
120.08111	22.6
121.02866	7.6
121.06513	17.2
121.10131	7.9
123.04388	2.3
123.08050	7.2
127.03909	2.5
128.06232	11.5
128.98647	2.8
129.07011	14.0
130.07774	8.8
131.05005	3.5
131.08572	44.8
133.06479	8.6
133.10120	8.6
134.99646	6.7
135.04417	4.5
135.08049	15.0
135.11681	9.1
137.05988	3.0
139.07538	2.6
141.07021	11.1
142.07790	3.1
143.08562	21.2
144.05702	7.4
144.09367	4.4
145.06482	27.0
145.10117	77.6
146.07265	2.4
146.99603	2.3
147.08031	31.5
147.11679	5.7
149.01291	2.8
149.02330	75.4
149.05960	8.8
149.09584	12.3
151.07565	3.8
153.06975	3.5
154.07773	8.0
155.08562	10.1
157.06485	8.8
157.10092	4.2
158.07266	15.2
158.99654	2.6
159.08046	52.8
159.11690	17.4
160.08841	4.7
161.05971	3.4
161.09604	29.9
163.07549	11.9
163.11157	20.0
165.06987	2.0
169.07668	2.0
169.10109	21.4
171.08055	10.0
171.11678	3.1
172.08827	7.6
173.05943	5.3
173.09624	62.1
174.10278	2.8
175.07562	10.7
175.11189	2.3
176.99370	2.3
177.00644	9.9
177.09201	3.6
177.12735	3.1
179.08588	5.7
182.07224	3.8
185.09630	5.7
187.07533	6.0
187.11165	41.9
189.00703	2.7
189.09048	4.4
190.09880	3.3
191.02104	2.1
191.10667	100.0
193.08536	2.0
197.09618	18.1
201.09102	1.9
205.08662	5.7
205.12224	11.7
209.11749	2.3
213.09232	3.0
215.10660	48.2
219.01770	2.6
222.08327	4.0
225.09172	2.5
233.11714	75.9
237.02879	3.8
239.64369	2.0
243.10188	14.4
243.13907	2.3
251.12724	2.5
261.11212	11.5
261.14709	4.4
279.09482	4.6
279.12292	71.4
279.15784	7.2
279.23010	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	0.6
55.05511	9.5
56.96551	1.3
57.07064	1.6
58.06599	10.3
65.03953	0.8
67.05502	21.1
68.05814	0.7
69.07066	6.6
69.99168	2.2
71.04965	0.5
72.04511	0.5
72.08141	0.4
79.05495	4.4
79.88812	0.4
81.07053	20.1
83.08614	3.6
85.06539	0.5
91.05482	1.0
92.05806	0.5
93.07040	3.7
94.07358	0.9
95.04989	0.8
95.08602	17.2
96.08936	0.9
97.10141	1.2
98.09676	1.0
98.97568	1.6
105.07030	3.0
106.07359	0.4
107.08582	1.5
108.17628	0.4
109.10149	5.9
116.98615	1.9
119.08584	0.7
121.02819	0.4
121.10165	1.3
122.10466	0.6
123.11697	1.6
128.98596	0.7
132.08086	6.7
134.10468	0.5
134.99658	2.0
135.11710	0.7
140.35223	0.5
146.99677	0.6
149.02339	6.2
158.99677	0.5
169.66530	0.4
177.00720	1.6
178.08621	2.9
179.83340	0.4
207.01694	0.5
207.79025	0.5
210.08388	0.4
255.14403	0.9
278.13907	2.4
278.22244	3.0
278.28415	100.0
279.09537	0.5
279.17267	0.8
279.21063	0.7
279.28702	1.9
286.84979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41800	18.6
61.95486	22.1
62.93024	24.3
70.10963	100.0
97.87192	18.3
136.87367	24.0
183.55136	23.1
252.87173	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	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08054	1.0
56.96557	11.7
57.07056	1.7
59.06884	0.9
70.60783	3.2
71.95251	2.0
81.07000	1.1
93.74792	1.1
98.97576	64.1
99.97900	1.1
103.03904	1.4
110.97545	7.7
116.98611	71.4
128.98598	19.1
134.99648	68.9
136.93999	5.9
143.00200	2.5
146.99648	27.0
147.66689	1.2
149.01277	1.5
149.02345	12.4
152.63425	1.0
153.00700	15.3
157.03688	1.5
158.01276	2.0
158.99651	24.3
161.01208	2.5
162.11263	6.0
165.00720	5.6
170.99670	8.5
177.00703	100.0
189.00703	27.4
191.02281	1.4
195.01781	13.1
200.02315	3.8
201.00648	1.3
207.01770	17.6
212.02319	1.4
219.01787	8.2
237.02823	10.0
249.02840	1.6
255.03848	9.0
279.04678	27.0
297.04861	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	279.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73977	0.3
53.03941	2.8
53.21526	0.3
55.01860	0.5
55.05496	0.4
56.96585	0.3
57.03432	0.4
57.07057	1.0
64.60789	0.3
65.03928	0.3
67.05489	0.6
69.03426	17.5
69.07063	1.1
71.04995	1.5
79.05489	1.1
81.03413	19.6
81.07043	1.2
83.08610	0.5
85.02895	1.3
91.05460	0.7
93.07027	0.8
95.04963	1.1
95.08599	1.2
97.02886	5.6
98.20607	0.5
98.97527	0.4
99.04460	2.5
105.07013	0.6
107.04947	100.0
108.05267	1.0
109.02876	7.6
109.10162	0.7
119.08539	0.4
121.10186	0.3
127.03915	7.1
134.99712	0.6
135.11710	0.3
145.06442	0.5
149.02335	6.2
149.13263	0.4
159.08067	1.4
159.11696	0.3
174.10423	1.2
187.07561	0.3
229.28520	0.4
243.10098	0.3
279.08588	7.9
279.12350	0.5
279.26788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63057	0.2
53.03731	0.3
53.03946	2.9
55.01863	0.3
55.05503	0.3
56.96570	0.2
57.03429	0.5
57.07081	1.1
60.07510	0.2
62.86913	0.2
65.03930	0.4
67.05504	1.1
69.03427	20.3
69.07058	0.5
69.72758	0.9
69.73183	0.6
71.01334	0.3
71.04990	1.6
73.02911	0.3
74.87719	0.2
79.05487	1.2
81.03414	24.2
81.07045	1.0
81.48338	0.2
82.09566	0.2
83.04985	0.4
85.02911	3.5
86.09701	0.3
87.04471	1.0
91.05482	1.6
93.07034	1.3
95.04973	1.5
95.08601	0.6
97.02888	6.2
97.06565	0.4
98.20719	0.2
98.97568	0.7
99.04458	3.1
105.07033	1.5
107.04950	100.0
107.08582	1.2
108.05286	0.8
109.02874	7.6
109.06536	1.7
109.10159	0.9
115.05461	0.5
116.98651	0.4
117.07000	1.1
119.04961	0.4
119.08581	1.5
120.08093	0.6
121.02853	0.4
121.06503	0.7
121.10133	0.9
122.07301	0.4
123.08057	0.6
125.06020	0.3
126.62656	0.2
127.03917	7.1
128.06227	0.5
129.07002	1.0
130.07805	0.7
131.08556	1.4
133.06491	0.8
133.10173	0.3
134.99651	0.3
135.07986	0.5
135.11687	0.3
137.09595	1.7
141.06931	0.5
143.08553	0.7
145.06494	0.9
145.10120	3.3
147.04411	0.4
147.08049	3.0
147.11673	0.2
149.01149	0.4
149.02333	6.3
149.06006	0.5
149.09624	0.9
153.05490	0.3
153.06894	0.3
154.07730	0.5
155.08478	0.5
156.09317	0.2
157.06497	0.3
158.07291	0.7
158.99730	0.3
159.08047	3.5
159.11690	0.8
161.06020	0.3
161.09593	0.6
163.11189	1.5
165.05542	0.2
165.09148	0.7
167.03395	0.3
169.10124	1.2
171.08043	1.4
172.08792	1.3
173.09633	2.6
174.10402	2.8
175.07503	1.4
177.00711	0.4
177.09145	0.2
182.07323	0.3
187.07542	0.3
187.11122	1.1
189.05505	0.3
191.09135	0.2
191.10678	1.5
193.08627	0.5
197.09647	1.3
201.09187	0.5
205.12134	0.5
215.10689	1.7
233.11731	3.4
243.10138	0.3
251.10796	0.2
261.11249	1.1
261.14832	0.3
279.08707	8.7
279.12299	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	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03943	2.8
55.01860	2.3
55.05508	16.1
57.07073	18.6
65.03925	2.4
67.05505	45.2
69.07069	15.9
71.05252	1.8
79.05492	46.6
81.07054	50.9
83.04974	2.0
83.08636	8.8
85.06554	4.2
91.05482	21.7
93.07044	64.0
95.04960	5.4
95.08605	40.1
97.06533	2.7
97.10168	3.7
105.07024	19.4
107.08600	42.0
109.06519	3.8
109.10157	21.6
117.07026	1.8
119.08588	17.8
121.10135	49.0
123.08047	2.3
123.11700	5.8
129.07025	2.9
131.08565	7.5
133.10136	18.3
135.08081	4.1
135.11696	28.6
137.09645	2.3
142.09912	1.6
143.08571	2.7
145.10114	7.2
147.11690	13.1
149.09599	5.4
149.13260	22.2
157.10107	2.8
159.11758	2.6
161.09734	3.4
161.13275	8.7
163.11153	4.2
163.14844	16.1
167.10686	3.0
171.11650	2.7
173.13268	1.9
175.11206	2.9
175.14836	5.2
177.12746	2.0
177.16449	2.2
179.10648	11.1
181.12236	3.1
185.13260	3.2
191.14200	1.7
193.12286	5.0
195.13849	3.6
199.14737	1.8
203.85593	1.7
207.12036	1.7
207.13861	7.6
213.16478	2.4
217.19472	2.7
219.13771	2.1
221.15401	7.3
235.16917	34.6
241.19481	4.1
259.20572	8.0
277.18094	30.5
277.21664	100.0
291.64911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
55.93536	0.8
57.07078	0.8
58.99860	2.6
67.05490	1.8
69.07071	1.4
71.12222	1.7
77.00910	13.7
79.05487	1.5
79.55729	0.6
81.07047	2.6
82.07410	0.7
83.08631	0.7
93.07032	1.6
95.01947	11.0
95.04951	0.6
95.08592	2.2
100.77001	0.6
107.08597	1.0
108.08909	0.6
109.10125	1.4
121.10142	1.1
123.11681	1.0
131.08514	0.7
135.11656	1.1
136.12057	0.7
145.10159	0.9
149.02292	0.7
176.23196	0.6
183.12320	0.8
201.09665	0.7
210.12485	0.8
211.15413	0.7
217.10670	0.9
219.12225	3.7
225.13423	1.9
235.11858	2.1
237.13359	39.0
238.13554	0.9
243.14421	12.2
251.11282	1.4
253.12859	2.6
255.14417	100.0
256.14664	1.9
257.14850	0.8
260.14828	3.1
261.15387	3.8
273.15457	24.2
274.15811	0.9
278.15842	6.1
278.21985	1.6
296.16937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36553	1.2
52.30545	1.3
53.03926	4.8
55.01861	1.3
55.05508	20.3
57.07071	3.2
60.07867	1.1
67.05502	28.8
69.06776	1.3
69.07072	13.2
70.86510	3.8
71.04971	2.0
75.49426	1.3
77.03897	1.6
79.05493	76.7
81.07055	38.2
82.16183	1.2
83.04956	1.2
83.08606	5.3
85.06535	2.2
87.68083	1.3
91.05478	25.6
93.07043	100.0
95.04980	9.5
95.08597	29.9
97.06512	2.9
97.10171	2.8
105.07022	13.5
107.08590	55.2
109.06512	4.2
109.10165	9.9
117.07014	3.5
119.08567	11.7
119.09378	2.0
121.10142	47.7
122.65172	1.2
123.08070	2.5
123.11699	3.0
129.07024	1.8
131.08580	3.7
133.10129	12.4
135.08087	1.7
135.11693	45.5
138.99489	1.3
143.08565	2.0
145.10098	3.2
147.11703	6.5
149.13268	20.5
155.72128	1.5
157.10193	1.6
159.11716	3.0
161.13252	3.4
163.11217	1.6
163.14790	4.4
171.11606	1.6
173.13219	1.7
175.11195	2.1
177.12781	2.8
185.13225	3.1
193.12372	1.3
195.13887	1.9
199.14804	1.7
207.13885	1.4
221.15407	3.5
234.02771	1.2
235.17061	4.2
241.19501	2.5
259.20514	4.0
277.21634	59.9
298.07901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02372	1.3
53.03926	3.0
55.01860	3.2
55.05261	1.4
55.05504	20.8
56.96559	1.8
57.03415	1.1
57.07071	8.5
59.05016	1.1
65.03930	1.8
67.05501	44.4
69.03422	1.4
69.07060	25.3
69.85947	6.3
71.04990	5.4
71.08619	3.2
73.06546	1.2
79.05487	63.5
81.07051	62.7
83.04963	4.2
83.08607	8.2
83.26971	0.9
85.02885	1.9
85.06520	3.4
89.03869	1.0
91.05475	37.0
93.07037	83.9
95.04975	8.2
95.08604	41.1
97.06519	4.8
97.10168	5.3
99.08073	2.9
105.07022	37.7
107.04919	1.2
107.08588	41.0
109.06505	4.3
109.10146	16.3
111.08084	2.5
113.06039	1.5
117.07001	8.0
119.08566	26.7
121.06459	2.5
121.10134	41.5
123.08077	2.4
123.11697	6.2
125.09653	1.3
129.06985	5.0
131.08565	9.1
133.06471	1.4
133.10120	23.1
135.08105	2.6
135.11682	22.1
137.09581	3.2
137.13225	3.0
143.04681	1.1
143.08527	5.6
145.10120	8.9
147.11678	23.7
149.09624	3.0
149.13235	18.5
151.11189	1.9
153.09163	1.3
157.10107	6.0
159.11682	4.4
161.09634	4.2
161.13264	13.8
163.11165	4.5
163.14825	15.0
165.09106	2.3
165.12747	2.3
167.10628	2.7
171.11719	5.7
173.13269	3.8
175.11176	6.8
175.14819	14.0
177.12746	3.3
177.16302	1.6
179.10625	2.8
179.14384	1.7
185.13255	5.8
189.12750	5.6
193.12170	5.5
193.15913	1.3
195.13763	2.2
199.14775	2.5
203.14336	1.3
207.13742	7.7
213.16336	1.7
217.15923	1.3
217.19553	3.3
221.15369	10.0
231.17439	2.7
231.21031	8.8
232.51212	1.2
235.16942	7.6
241.19450	8.1
247.38020	1.1
255.09329	1.1
259.20520	12.3
277.18408	4.3
277.21609	100.0
278.21805	1.5
295.12155	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.26406	2.2
53.03953	3.8
55.01878	10.8
55.05508	30.2
56.45298	2.0
56.96556	6.6
57.03413	4.0
57.07073	16.3
59.04697	2.0
65.03918	3.6
67.05167	3.8
67.05506	60.0
69.03428	4.2
69.07067	32.7
69.82845	14.1
71.04980	4.8
77.00897	5.1
79.05060	3.4
79.05495	64.9
81.07058	64.4
83.04975	9.4
83.08614	9.7
85.02915	4.7
85.06541	3.6
91.05475	31.0
92.05789	2.7
93.07047	80.2
95.01959	2.6
95.04977	11.7
95.08609	52.4
97.02885	7.3
97.06497	13.0
97.10175	3.9
98.97598	7.7
99.08099	2.3
105.07031	29.1
107.04942	6.1
107.08585	49.1
107.09288	3.4
109.06515	11.4
109.10155	20.6
111.04447	4.0
111.08073	5.5
111.11784	2.1
115.05448	2.6
116.98598	3.0
117.07019	10.2
119.08575	27.1
120.07303	2.0
121.06453	10.8
121.10153	36.9
123.08095	7.0
123.11633	5.5
125.09608	5.9
129.07076	5.6
130.22565	2.4
131.08548	9.6
133.03441	4.2
133.06519	4.0
133.10120	19.6
134.99614	4.3
135.08014	5.6
135.11690	35.9
137.05980	15.5
137.09616	3.7
137.13312	2.5
141.06911	2.3
143.08548	5.5
145.10114	11.9
147.08025	4.4
147.11674	16.8
149.01184	4.3
149.02284	3.4
149.09615	6.3
149.13269	22.9
151.07516	3.7
151.11218	5.6
157.10165	5.7
159.11678	7.2
161.02971	2.8
161.09668	6.7
161.13240	6.4
161.14478	2.3
163.03915	5.6
163.07603	2.8
163.11182	2.8
163.14842	4.9
164.08784	2.1
165.12788	4.1
171.11702	5.5
175.11125	3.3
175.14818	4.1
177.00710	5.4
177.12782	3.0
179.10687	9.0
185.13234	5.1
189.12708	2.2
203.14365	2.8
207.13820	4.2
207.17166	2.4
217.12274	3.2
220.35497	2.3
221.15370	5.4
231.17393	4.6
235.13335	3.3
235.16910	28.0
237.13368	7.3
241.15851	3.7
243.14461	3.4
255.14433	18.5
259.09677	5.6
259.16946	6.0
259.20587	10.0
273.15353	2.5
277.15030	3.6
277.17993	55.8
277.21582	100.0
282.71182	2.2
285.70596	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	6.7
55.01859	2.5
55.05512	24.3
57.03434	12.7
57.03664	2.3
57.07079	15.4
67.05502	49.2
69.03419	2.7
69.07063	20.6
69.48631	21.5
71.08623	14.9
72.59950	2.3
73.88874	2.1
75.74219	2.4
75.94839	2.0
79.05492	72.3
81.03420	5.7
81.07053	56.5
83.04980	5.3
83.08611	10.4
91.05474	37.3
93.07043	100.0
93.59878	2.5
95.04958	12.2
95.08041	3.9
95.08603	42.4
97.06516	5.6
97.10144	4.8
99.08118	11.5
105.07048	23.6
107.04952	3.2
107.08600	57.6
109.06503	6.5
109.10172	16.2
111.08054	3.8
117.07018	4.1
119.08566	14.5
121.10146	43.9
123.08054	5.6
123.11698	6.0
127.11301	2.5
131.08575	9.6
133.10127	14.8
135.11690	52.9
137.09595	4.5
143.08510	2.8
145.10106	9.3
147.11696	10.3
149.09560	3.0
149.13264	19.5
151.11176	10.1
159.11697	6.3
161.09444	2.8
161.13243	10.8
163.11171	4.4
163.14778	5.4
165.12810	5.1
171.11732	2.8
173.13298	3.0
179.10640	7.5
179.14270	15.5
185.13202	3.7
187.14839	8.3
203.10777	3.2
205.15794	4.6
207.13734	3.0
221.15376	5.9
221.18903	3.0
235.16907	29.9
241.19446	6.2
259.20645	12.5
277.18054	22.4
277.21628	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02384	1.2
53.03944	19.7
55.01872	10.4
55.05508	36.2
56.96589	1.2
57.03432	3.6
57.07072	40.6
59.04977	1.3
65.03931	2.5
67.05501	79.1
69.03424	3.0
69.07064	46.9
69.07455	1.8
69.39385	7.2
69.39797	2.5
71.04980	4.4
71.08630	13.9
72.27278	1.0
76.93262	1.1
79.05492	72.1
80.91348	1.2
81.02695	1.5
81.03415	70.9
81.07055	80.9
83.04981	16.4
83.08617	12.2
85.06549	3.0
85.10172	3.4
91.05478	40.3
93.07041	78.7
95.04967	52.2
95.08602	35.9
97.06525	5.2
97.10177	6.0
99.08100	9.6
99.08707	1.6
103.05468	1.7
105.07027	36.0
105.64983	1.2
107.04961	4.1
107.07858	2.1
107.08592	40.3
109.06521	12.2
109.10156	20.3
111.08105	5.4
111.08772	1.0
111.39669	1.2
113.09633	2.0
117.06976	6.1
119.08570	23.6
120.08970	1.0
121.06486	4.7
121.10139	21.1
123.08064	4.2
123.11708	8.2
125.09647	7.9
129.06985	5.0
131.00143	1.2
131.08539	8.6
133.06508	3.6
133.09114	1.4
133.10132	27.1
135.08037	8.4
135.11691	22.4
137.09621	2.8
137.13268	2.0
139.11215	1.6
143.08569	5.8
145.10129	5.9
147.08017	4.0
147.11687	21.0
149.01230	3.5
149.09615	2.5
149.13257	12.6
151.11176	45.0
153.09123	2.3
153.12691	1.3
156.03571	6.0
157.10127	4.6
159.11708	3.2
161.09619	3.8
161.13249	16.0
163.07523	1.9
163.11220	2.9
163.14789	7.8
165.03723	1.4
165.12746	15.8
167.02296	1.8
167.14407	1.5
171.10260	2.3
171.11682	7.7
173.11816	1.5
173.13281	2.2
175.11215	4.2
175.14809	6.3
177.12737	3.8
177.16479	1.1
179.10661	19.8
179.14259	10.8
181.12236	1.5
185.13254	3.6
189.12749	3.4
191.14293	1.8
193.12270	3.3
199.14856	1.8
203.14359	1.3
207.13805	6.2
217.15916	2.8
217.19516	4.4
219.13777	3.5
221.15436	3.5
231.17476	1.9
231.21037	10.3
235.16922	69.6
236.17296	1.8
241.19577	6.2
249.22136	4.7
259.20587	12.5
277.18027	62.0
277.21631	100.0
278.14542	6.3
278.18228	1.8
278.22012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03933	3.7
55.01873	3.2
55.05508	16.5
57.07092	3.7
67.05167	2.9
67.05502	43.2
69.02744	1.5
69.07066	14.6
69.85344	2.7
69.85753	6.8
71.05002	3.0
71.08639	10.5
77.03886	2.2
79.05494	61.5
80.91833	1.4
81.03412	3.6
81.07053	47.5
83.04968	5.3
83.08623	9.1
85.06543	4.3
91.05479	26.0
93.07045	89.3
95.04964	10.6
95.08036	2.9
95.08605	30.1
97.06524	4.6
97.10136	3.2
98.20846	3.4
99.08076	8.1
105.07038	22.0
107.08588	55.5
109.06493	4.3
109.10159	16.4
117.07043	2.6
119.08587	14.4
121.06486	1.7
121.10145	42.1
123.07997	2.5
123.11700	2.6
131.08563	5.3
133.10152	12.6
135.08124	1.7
135.11691	55.2
143.08620	1.8
145.10121	4.1
147.11702	7.6
149.13255	21.6
151.11209	5.3
159.11702	4.2
161.13245	7.5
163.11230	3.7
163.14803	4.8
171.11679	4.3
173.13254	2.1
175.14824	1.8
177.12823	1.9
179.14293	13.0
185.13339	3.0
195.13742	3.1
199.14795	3.2
207.13846	2.5
221.15425	3.9
235.16798	1.8
241.19487	3.6
259.20569	9.1
277.21628	100.0
278.21997	2.9
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	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03931	5.5
55.01854	3.9
55.05504	20.4
56.96555	3.7
57.03431	2.6
57.07080	10.7
58.12508	1.3
58.92234	1.5
62.13291	1.3
65.03896	2.4
65.68382	1.3
67.05505	45.7
69.03435	1.5
69.07062	19.1
71.04990	3.9
71.08627	2.7
71.59429	1.5
73.06548	1.7
79.05493	84.1
81.03407	2.1
81.07057	44.5
83.04964	2.6
83.08632	9.9
85.02890	2.2
85.06522	3.0
85.85741	1.3
91.05475	30.9
93.07041	100.0
95.04972	12.8
95.08600	31.5
97.06507	5.3
97.10161	4.3
97.92791	1.4
102.19436	1.7
105.04554	2.1
105.07033	16.2
107.04930	1.9
107.08595	51.0
109.06504	4.3
109.10158	16.0
115.05329	1.3
117.07020	5.0
119.08587	15.8
121.09418	1.7
121.10139	43.2
123.08051	2.4
123.11735	7.3
129.06992	2.6
131.08571	7.3
133.10126	16.4
135.08080	4.0
135.11687	45.7
137.09627	2.4
139.11226	2.4
140.38823	1.4
143.08563	5.2
145.10127	6.3
147.11708	10.6
149.09671	2.3
149.13254	23.2
151.11156	2.2
156.03633	2.0
157.10133	3.4
159.11688	5.0
161.09700	2.0
161.13261	7.2
163.11244	1.6
163.14815	8.3
165.12602	1.3
167.10710	2.4
171.11650	3.1
173.13271	3.3
175.14824	4.1
177.12750	2.3
179.10666	3.3
185.13222	3.1
189.12759	1.5
201.35379	1.8
203.14351	2.0
207.13731	2.7
213.16463	2.6
221.15401	3.6
235.16928	10.7
241.19539	4.0
259.20517	7.6
277.18121	9.0
277.21622	79.8
277.38913	1.5
278.21741	1.7
278.28384	2.5
293.51932	1.4
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	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01854	3.0
55.05254	1.3
55.05507	15.6
56.96567	2.4
57.03418	1.6
57.07073	6.1
65.03925	2.5
67.05502	36.6
69.03413	1.3
69.07066	14.1
70.13222	1.7
70.13586	4.4
71.04967	3.4
71.08618	1.0
73.31561	0.8
79.05489	38.7
81.03427	2.8
81.07052	36.2
82.65434	1.0
83.04966	2.8
83.08620	8.4
84.59183	0.9
85.06540	2.5
85.10168	2.8
88.63625	0.9
89.54505	0.9
91.05474	24.2
92.05819	1.2
93.07037	47.6
95.04972	7.8
95.08603	28.6
97.06529	11.1
97.10141	1.8
97.85431	0.8
98.97575	2.6
99.08051	1.8
105.07021	15.8
107.04961	5.5
107.08589	28.3
109.06503	3.4
109.10142	7.5
111.08073	2.4
113.09636	1.6
116.98591	2.5
117.07008	2.6
119.08552	11.5
121.06491	1.8
121.10135	26.3
123.08058	3.0
123.11688	3.4
128.98633	1.0
129.06992	2.5
131.08545	5.5
133.06413	1.9
133.10121	11.4
134.99641	1.5
135.04454	1.9
135.08035	2.1
135.11676	20.1
137.09576	1.5
137.13281	1.6
139.11145	1.0
143.08528	3.1
145.02785	2.0
145.10117	4.5
147.11682	9.1
149.01233	1.8
149.02338	1.1
149.09615	2.8
149.13246	17.1
151.11116	2.3
157.10106	2.3
159.11687	4.1
161.02362	1.7
161.09621	1.8
161.13246	7.0
163.03888	7.1
163.11171	2.8
163.14821	5.1
165.12743	2.4
167.10674	1.4
171.11708	2.3
173.02364	2.0
173.13213	1.8
175.11166	2.9
175.14766	3.7
177.00667	1.7
177.12735	2.9
177.16405	1.3
179.10680	1.8
181.12184	1.9
185.13264	3.5
189.12712	2.0
195.13780	1.6
199.14784	1.8
203.14384	1.5
207.11726	1.3
207.13763	2.4
213.16309	1.0
215.07030	4.9
217.15849	1.0
217.19441	1.7
221.15413	3.2
231.21078	2.2
233.07846	1.3
235.16959	5.4
241.19455	4.2
259.09641	5.5
259.20578	9.3
277.10995	1.7
277.18250	5.2
277.21606	100.0
278.21982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03925	5.2
55.05506	16.7
57.07059	3.8
58.30822	1.6
67.05167	2.5
67.05503	34.2
69.07062	16.9
71.04963	2.1
71.20874	3.8
72.01600	1.8
77.03918	1.8
79.05488	74.4
81.07051	34.7
83.08617	8.1
91.04954	2.7
91.05480	28.0
93.07040	100.0
95.04984	9.2
95.08607	24.4
97.10162	2.9
105.07047	13.2
107.08591	44.9
109.06536	2.4
109.10148	9.3
117.06973	3.6
119.08626	11.7
119.09402	3.0
121.10139	41.6
123.11704	3.6
131.08545	3.0
133.10114	10.5
135.11684	50.1
143.08533	2.0
145.10135	2.9
147.11671	6.4
149.13271	21.4
159.11717	5.0
161.13222	3.5
163.11266	1.9
163.14822	7.7
167.10623	1.9
171.11740	2.7
173.13171	1.7
175.19574	1.7
185.13243	2.8
199.14728	2.4
203.14285	1.6
207.13896	2.6
213.16333	1.7
221.15390	2.6
235.16881	3.2
241.19409	2.0
259.20657	4.1
262.68076	1.8
276.78006	2.0
277.21619	55.9
290.65097	1.9
299.44455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	3.8
55.01871	16.2
55.05264	1.5
55.05514	25.6
56.96553	2.8
57.03415	2.6
57.07076	6.9
58.72356	1.0
63.46918	0.9
65.03943	2.3
67.05501	47.1
69.03426	1.9
69.07072	17.8
69.85289	5.6
71.04991	4.4
71.08634	17.9
75.97668	0.9
79.05492	54.0
79.14054	1.0
81.03408	5.8
81.07056	53.2
83.04980	5.4
83.08615	12.1
85.06530	2.5
85.10176	2.7
91.05478	30.6
93.07043	76.3
95.04963	14.5
95.08607	31.8
97.06530	13.6
97.10179	4.4
99.08096	11.1
105.07030	20.5
107.04963	5.3
107.08597	36.9
109.06538	6.5
109.10153	13.0
111.04430	1.2
111.08074	15.6
113.06768	1.1
113.09631	3.6
117.06998	6.6
119.08569	17.7
121.06522	2.8
121.10148	25.5
123.08058	3.1
123.11703	5.9
125.09635	2.8
129.06999	5.6
131.08574	6.8
133.06541	1.5
133.10132	16.9
135.08052	2.3
135.11693	24.7
137.09599	2.7
137.13240	3.2
139.11209	1.6
141.07074	1.2
141.12723	3.5
143.08551	3.9
145.10103	8.5
147.08063	1.4
147.11687	14.6
149.02318	3.3
149.09608	3.4
149.13249	15.6
151.11166	10.4
151.14694	1.2
153.12787	1.5
157.10106	3.4
159.11699	4.1
161.02243	0.9
161.09637	3.6
161.13261	11.8
163.03926	3.5
163.11168	11.9
163.14828	7.7
165.12762	7.5
167.14328	1.2
169.12210	2.1
171.11681	5.3
173.13263	3.4
175.07471	1.0
175.11162	2.9
175.14836	5.2
177.12732	3.5
177.16365	1.3
179.10696	2.1
179.14262	5.4
181.12222	1.4
185.13237	3.9
189.12727	2.5
193.12270	2.3
195.13768	1.1
199.14876	2.9
203.14288	1.6
207.13840	2.7
215.06908	1.9
215.17825	1.0
217.19492	2.5
221.15315	3.1
231.09001	1.7
231.21133	4.6
235.16901	2.9
241.19476	4.2
249.22171	2.7
254.11430	1.5
259.09586	1.7
259.20541	14.3
277.21619	100.0
278.21857	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.28799	1.0
53.03937	4.3
55.05513	14.2
57.07067	1.7
65.03913	1.2
67.05505	33.9
67.05865	1.7
69.07068	13.0
70.08231	4.2
71.04993	1.9
79.05491	61.6
81.07054	30.5
83.04953	1.8
83.08627	6.6
85.06544	2.2
91.04963	1.9
91.05483	26.4
93.07042	100.0
95.04964	7.3
95.08604	27.4
95.22518	1.2
96.08966	1.0
97.10125	2.5
105.04518	1.1
105.07030	12.4
107.08594	50.3
109.06487	1.9
109.10158	14.2
117.06944	2.1
119.08570	11.0
121.10141	37.6
123.11717	2.8
125.09607	1.3
129.07002	2.1
131.08569	3.3
133.10110	12.2
133.65332	1.1
135.07985	1.1
135.11693	56.6
136.12030	1.1
137.13330	1.2
143.08524	1.9
145.10138	3.6
147.11699	7.5
149.13258	23.8
157.10124	2.1
159.11687	3.1
161.13263	4.8
163.11243	1.4
163.14830	6.0
171.11665	3.7
173.13286	1.9
175.11145	1.2
175.14841	1.9
185.13248	2.1
189.12735	1.6
199.14896	1.5
203.14371	1.3
207.13734	2.6
213.16461	2.7
221.15315	3.4
231.17334	1.2
235.16827	5.0
241.19452	1.9
259.20532	5.2
277.21616	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.63940	1.7
53.03933	2.9
55.01846	3.0
55.05297	1.8
55.05510	19.8
56.96557	2.7
57.07061	6.7
58.98147	1.6
67.05502	37.3
69.07064	15.1
70.99400	4.6
71.04970	2.9
71.08604	1.7
72.47061	1.7
79.05491	74.6
81.07055	43.4
83.04979	2.6
83.08604	7.9
85.06567	1.9
91.05469	29.4
93.07039	100.0
95.04948	8.4
95.08601	30.6
97.06543	3.0
97.10150	3.5
105.07027	20.9
107.08591	57.4
109.06470	4.0
109.10143	14.3
111.08080	1.9
117.06982	3.5
119.08596	12.5
121.10138	50.8
123.08065	2.6
123.11700	3.5
125.09647	1.9
129.07019	2.0
131.08543	5.1
133.10117	16.2
135.11688	49.5
137.05957	2.0
143.08571	3.3
145.10081	4.8
147.08034	2.1
147.11691	8.9
149.01195	7.6
149.02296	3.1
149.13252	24.0
151.11362	1.9
157.10127	3.8
159.11711	3.4
161.13251	5.3
163.11162	3.2
163.14810	7.6
167.02252	2.9
171.11737	2.7
173.13225	3.1
175.11243	1.7
175.14877	2.8
179.10641	1.8
185.13301	2.2
189.12727	2.1
203.10556	2.4
207.13849	2.5
217.15752	2.3
221.15332	2.6
235.16869	11.9
259.20502	3.8
277.06812	1.7
277.18164	9.5
277.21631	77.4
278.28433	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	2.4
55.01862	2.5
55.05510	14.1
56.96552	2.7
57.07077	7.8
65.03928	2.6
66.18994	0.8
67.05505	34.3
67.14274	0.8
69.03425	1.2
69.07070	17.3
69.81904	6.1
71.05000	4.8
71.08608	2.4
72.12547	0.8
77.03929	1.3
78.69223	0.9
79.05491	45.6
81.07056	41.8
83.04963	1.7
83.08627	5.3
85.06530	3.7
85.58518	0.8
88.88576	0.8
91.05485	35.8
93.07045	65.2
95.04954	4.6
95.08604	26.4
95.09121	0.6
95.09217	1.1
97.06536	4.2
97.10163	3.1
98.20794	1.1
99.08089	1.0
105.07031	34.4
106.07338	1.1
107.08592	30.7
108.08910	1.2
109.06512	2.9
109.10153	11.6
111.08083	1.0
113.06013	1.0
113.78045	0.9
115.41862	1.0
117.07015	6.9
119.08584	33.9
119.09450	1.8
121.06493	4.0
121.10139	28.9
123.08041	3.0
123.11698	7.6
125.09621	1.5
128.06247	1.2
128.46690	0.8
129.06985	6.4
130.44452	0.9
131.08583	11.4
133.06511	1.4
133.10135	31.9
135.08067	6.2
135.11684	15.9
137.09572	1.4
137.13234	2.9
139.11206	1.0
143.08589	4.4
145.10130	5.6
147.08087	6.6
147.11685	28.9
149.09637	4.2
149.13246	12.0
153.09106	3.4
157.10130	7.4
159.11676	3.9
161.09636	6.5
161.13263	11.4
163.04062	1.2
163.11188	1.0
163.14798	8.0
165.09119	2.8
165.12744	1.0
167.10660	1.7
171.11687	9.9
173.13300	2.1
175.11197	6.2
175.14818	5.4
177.12718	1.7
177.16396	3.7
179.03389	1.5
179.10701	4.6
181.12268	1.2
185.13242	5.4
187.14835	1.1
189.12712	6.9
189.16324	1.2
193.12251	9.0
195.13763	2.0
199.14864	2.0
203.14368	2.4
207.13786	11.8
215.17938	2.2
217.19519	22.2
221.15344	6.2
231.17438	2.8
231.21147	2.8
235.16927	8.2
241.19496	10.7
259.09735	1.2
259.20541	12.2
277.10776	3.5
277.18201	6.0
277.21619	100.0
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
53.03939	4.3
55.01875	2.8
55.05513	16.4
56.96555	3.8
57.03420	3.7
57.07053	6.9
65.03922	1.9
67.05500	48.2
68.54477	1.8
69.03400	2.9
69.07066	10.4
69.50578	1.7
69.51761	9.1
69.52168	4.5
71.04990	3.2
71.08630	9.4
79.05061	3.5
79.05492	58.4
81.03394	2.0
81.07054	43.1
83.04983	4.1
83.08598	8.4
85.06541	3.9
91.05473	28.6
93.07039	73.3
95.04955	9.6
95.08606	30.1
97.06519	14.9
99.08085	6.4
105.07024	16.6
107.04956	4.4
107.08588	38.9
109.06509	6.5
109.10144	14.8
111.08086	2.9
113.09669	2.6
116.98651	1.9
117.07014	5.0
119.08580	17.3
121.10142	55.9
123.08022	3.8
123.11732	3.7
125.09595	2.5
128.06154	2.0
129.06993	4.1
131.08582	7.3
132.05707	9.4
133.06401	2.2
133.10104	13.4
134.99657	2.5
135.08035	2.2
135.10690	2.2
135.11691	38.3
137.05975	2.1
141.12801	2.7
143.08464	2.3
145.10109	8.4
147.11702	11.3
149.02281	2.3
149.09621	5.2
149.13249	12.8
151.11168	3.4
157.10115	2.7
159.11708	5.5
161.13257	7.6
163.03876	5.3
163.11172	7.9
163.14917	4.7
165.12816	3.3
171.11620	3.0
173.13266	2.9
175.14827	3.0
177.12752	2.8
178.12668	1.9
179.10741	3.9
179.14264	3.0
181.12189	3.1
185.09674	2.0
185.13252	2.1
189.12685	3.5
191.03400	2.5
195.13745	3.8
207.13728	2.9
215.07132	4.5
217.19568	2.3
221.15387	3.3
225.53360	2.0
231.21101	2.5
235.16945	6.0
241.19514	5.8
259.09631	5.9
259.20456	8.9
263.54724	1.9
277.10809	3.0
277.18054	10.9
277.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
55.01869	12.7
55.05521	34.9
56.96568	58.6
57.07074	30.6
67.05504	64.0
69.03426	12.9
69.07075	44.2
71.05006	8.8
71.08625	52.5
71.59849	10.2
75.13776	6.9
79.05492	85.9
81.03429	47.5
81.07056	88.7
83.04970	19.4
83.08614	11.3
84.08156	13.9
85.02914	12.4
85.06554	11.1
85.10197	22.3
86.09674	9.0
88.03998	55.0
88.07632	9.0
89.22372	6.9
90.06738	7.8
91.05466	48.2
93.07050	86.4
95.04988	24.1
95.08607	70.1
97.02947	10.0
97.06532	80.5
98.97582	30.4
99.04503	9.3
99.08093	66.0
103.08737	9.6
105.07039	46.1
106.07388	8.0
107.05000	17.5
107.08593	64.6
109.06526	11.2
109.10164	31.7
113.09642	23.1
116.98621	36.7
117.03379	11.4
117.07040	22.3
118.95073	7.8
119.08596	33.0
121.06538	18.4
121.10164	52.4
123.08082	13.7
123.11690	8.7
123.82053	7.5
127.97651	7.5
128.98586	12.6
129.07060	8.7
131.08563	45.3
131.17615	8.5
133.10149	15.4
134.99652	28.7
135.04468	16.7
135.08041	18.5
135.11705	24.8
138.99298	7.8
139.07521	12.1
139.11208	58.7
143.08595	17.7
145.02896	8.5
145.06587	9.3
145.10129	33.8
146.10468	16.8
147.11688	43.1
148.12067	22.6
149.01251	11.5
149.02374	23.8
149.09636	17.2
149.13274	14.2
153.09099	9.9
157.10141	12.2
159.11620	9.4
161.01196	14.2
161.02391	19.8
161.09660	8.8
161.13275	13.1
163.03902	58.9
163.07533	10.3
163.14862	21.4
173.02373	36.6
173.13319	12.9
175.14862	17.3
177.00687	17.6
177.16325	9.2
178.07784	14.7
185.09593	8.8
187.14842	24.1
189.07065	10.9
193.10136	13.4
203.08578	10.8
205.15846	37.5
206.07307	24.0
213.09099	10.9
215.07069	54.2
221.09647	11.9
223.16949	100.0
234.06783	30.4
235.07428	9.3
235.16924	36.2
241.17828	11.1
249.09128	32.0
259.09760	22.8
259.20645	10.9
262.06229	10.4
276.95120	9.3
277.08456	93.2
277.10907	20.3
277.14627	11.7
277.18036	37.3
277.21591	54.6
277.24841	17.2
278.09155	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	277.1072
Annotation	Pentalenolactone
Peak:m/z	Relative Intensity
55.01868	0.9
55.05513	1.5
56.96559	2.5
57.07067	1.1
67.05508	3.1
69.03437	6.0
69.07076	1.6
69.88974	3.6
70.06578	0.7
79.05476	1.7
80.22636	0.6
81.03426	1.3
81.07069	0.8
83.04951	1.5
84.08140	0.7
85.02894	0.9
86.09699	1.1
91.05486	6.0
93.07029	2.2
95.04949	2.0
95.08592	4.2
97.06512	0.9
98.97585	6.4
103.05455	0.6
105.07038	6.4
107.04961	1.4
107.08607	1.8
109.06516	1.4
109.10176	0.9
115.05461	2.0
116.98666	3.4
117.07028	4.2
119.04966	1.0
119.08588	4.1
121.06500	1.8
121.10139	1.3
123.04413	0.9
123.08077	2.3
128.06239	4.5
129.07018	6.0
130.07776	2.7
131.00142	1.2
131.04893	0.7
131.08568	4.2
133.06468	1.4
133.10106	1.5
134.99646	2.7
135.08046	1.1
137.05984	1.1
141.06993	2.6
142.07784	6.8
143.08582	5.8
144.05687	0.7
144.09334	0.9
145.06454	3.3
145.10118	11.4
146.07242	0.7
147.08073	4.2
147.11688	5.4
148.08868	0.6
149.01219	1.8
149.02325	0.8
149.09653	1.8
151.07509	1.7
152.06197	1.0
153.07028	2.7
154.07802	3.0
155.08565	7.0
157.06508	5.3
157.10129	5.8
158.07271	15.3
158.99632	1.2
159.04396	0.8
159.08067	8.5
159.11719	0.8
160.08792	1.0
160.97600	0.8
161.05954	0.7
161.09636	3.1
161.13249	1.1
165.07028	0.9
167.08438	1.1
169.06483	1.0
169.10130	2.1
170.07224	2.3
171.08054	13.1
172.08829	25.6
173.01163	3.1
173.05977	1.2
173.09633	13.6
174.10310	1.0
175.07555	1.4
175.11108	1.3
177.00710	2.4
179.08569	1.0
181.06499	0.7
182.07239	2.5
183.08043	1.9
185.06078	1.0
185.09628	13.6
189.09114	5.3
189.12752	1.6
191.02222	3.1
191.10654	1.7
195.06442	0.7
195.08098	2.0
197.09624	2.7
198.06781	2.5
199.07513	3.3
200.08311	0.8
201.00771	0.9
201.09117	10.1
202.98631	1.5
203.10736	1.4
207.10120	2.9
207.13795	1.6
211.07561	1.2
213.09105	8.8
215.10571	1.4
217.08559	1.6
219.01799	1.0
222.20398	0.6
223.52887	0.7
231.06615	0.7
231.10146	1.9
234.06688	1.2
235.16896	1.9
241.08533	7.4
244.99651	3.6
247.09642	2.0
259.09683	2.8
262.06180	0.9
263.00873	1.1
277.10724	100.0
278.11118	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	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	1.0
55.01867	10.0
55.05509	7.1
56.96567	0.4
57.03415	0.5
57.07079	1.9
65.03922	0.6
67.05502	11.0
69.03418	0.5
69.07064	5.3
69.87572	1.8
71.04971	0.8
71.43407	0.4
79.05490	17.7
81.07055	43.7
83.04977	1.9
83.08617	3.6
85.06540	0.7
90.05559	0.5
91.05476	6.4
93.07043	16.9
94.20473	0.4
95.04974	1.9
95.08603	9.9
97.06529	2.0
97.10175	0.8
99.08068	0.7
101.09676	0.4
105.07037	5.6
107.08589	10.6
108.26633	0.4
109.06516	14.3
109.10156	4.4
111.04436	11.4
111.08094	1.2
117.06994	0.5
119.08575	5.6
121.06543	0.5
121.10139	11.1
123.08074	1.6
123.11679	2.0
125.05988	3.6
125.09615	0.6
128.06296	0.4
131.08603	2.1
133.10121	5.8
135.08017	2.6
135.11688	11.2
137.05974	100.0
137.13232	1.1
138.06328	1.7
139.11092	0.4
142.07753	0.6
143.08563	1.4
145.10107	1.7
146.07268	0.4
147.08035	1.2
147.11693	4.5
148.21870	0.4
149.09650	3.2
149.13257	4.7
151.07561	2.3
151.11191	0.6
157.10136	1.3
159.11662	1.3
161.09625	4.8
161.13239	2.3
163.11156	2.7
163.14816	1.3
165.09102	1.9
167.10736	0.7
171.11661	1.4
173.11899	0.5
173.13300	0.9
175.11189	3.6
175.14787	0.9
177.09160	0.6
177.12793	0.7
179.10667	2.1
181.12193	1.0
185.13206	0.9
189.12782	1.2
193.12222	1.1
195.13809	0.8
199.14783	0.4
203.17949	4.4
207.13794	0.5
213.16365	2.6
221.15405	0.7
221.19048	1.1
223.14914	0.5
227.08696	0.4
231.17436	6.1
235.16939	2.0
241.15926	1.0
241.19701	0.6
249.18530	4.1
259.20496	1.2
274.62714	0.4
277.15128	0.4
277.18018	9.2
277.21628	15.6
295.18997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Pentalenolactone P
Peak:m/z	Relative Intensity
50.36324	1.2
50.36561	1.2
53.03955	1.3
55.01871	7.0
55.05505	5.7
56.96560	3.7
57.07059	5.4
67.05515	7.4
69.03415	4.7
69.07074	7.1
71.04990	3.7
71.60003	1.9
79.05492	9.3
81.03397	2.0
81.07060	11.1
83.04973	2.4
83.08611	3.3
85.02881	5.0
91.05473	15.8
91.85061	1.3
93.07050	10.0
95.04961	4.6
95.08609	10.9
97.02899	2.3
97.06535	15.4
99.08073	2.7
103.05419	2.4
104.13342	1.2
105.07027	47.8
107.04953	3.4
107.08577	6.4
109.06513	16.6
109.10152	5.6
111.04442	1.6
111.08092	2.0
115.05434	7.3
117.03389	1.8
117.07015	9.9
119.04923	3.8
119.05769	1.3
119.08587	18.3
121.06503	7.6
121.10135	7.7
123.04442	1.7
128.06223	28.6
129.07054	8.2
131.04971	1.8
131.08569	17.4
133.06482	6.0
133.10115	14.0
134.99596	1.6
135.04433	3.7
135.08057	1.6
135.11685	3.9
137.02290	1.7
137.05919	2.1
137.09630	1.6
141.07011	7.3
142.07771	15.2
143.08559	46.9
143.09692	2.7
144.05696	5.7
145.02808	3.3
145.06482	20.1
145.10027	3.1
146.07219	4.2
147.04329	2.1
147.08034	8.7
147.11694	2.3
149.02353	2.9
149.05983	3.7
149.13336	2.3
152.06190	3.4
153.06985	2.5
155.06067	1.5
157.06476	3.5
157.10112	14.6
158.07262	7.9
159.04431	1.9
159.08060	27.5
160.05132	1.9
160.08824	2.5
161.02307	3.9
161.05969	4.5
161.09624	41.4
163.03920	15.6
163.07507	4.2
165.06953	1.8
167.08533	7.9
169.06453	1.7
169.10153	1.8
170.07307	6.3
171.08044	40.3
171.11687	1.4
173.02312	5.3
173.05959	7.6
173.09644	3.2
174.06720	1.9
175.07503	1.7
179.03455	3.3
179.10675	11.5
185.09628	30.9
185.13249	1.4
186.10245	1.7
187.07518	4.3
188.08282	5.6
189.09109	100.0
190.09451	2.2
191.03485	3.2
195.08049	4.3
198.06810	6.8
199.07527	1.6
201.09042	3.3
203.10570	6.8
207.10164	12.1
213.09120	26.6
215.07019	9.4
220.29034	1.4
221.11726	1.8
231.10136	12.4
233.08144	2.4
235.16908	6.6
241.08696	3.7
249.11176	1.4
259.09683	11.9
259.20721	1.5
277.07852	2.7
277.10733	42.1
277.18069	8.6
277.21121	6.5
277.25485	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.96571	19.1
59.18962	9.3
62.43974	9.7
69.39735	100.0
95.39147	9.8
98.21503	20.6
98.97566	21.0
132.11163	9.9
161.02951	19.7
277.03204	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Pentalenolactone P
Peak:m/z	Relative Intensity
53.32608	1.8
53.83557	1.9
55.01858	3.7
55.05502	3.8
56.96553	8.7
57.07075	9.9
59.29276	2.2
67.05495	3.1
69.03419	9.2
69.03764	2.2
71.04996	3.5
71.30093	5.6
79.05489	6.8
81.03403	2.3
81.07034	5.0
83.04961	3.1
84.04498	3.1
85.02898	10.0
86.09710	4.7
91.05482	20.1
93.07037	9.0
95.04968	8.1
95.08594	4.2
97.02885	8.3
98.97582	9.1
103.05452	4.2
105.07027	32.9
107.04946	7.0
107.08591	7.5
109.06501	5.6
109.10150	2.6
115.05467	9.0
116.06278	2.2
116.17818	2.0
116.98611	9.2
117.06981	12.4
119.04921	7.2
119.08569	11.6
120.08102	8.6
121.06486	10.1
123.08074	5.9
128.06210	32.1
129.06987	18.8
131.04910	3.2
131.08543	12.9
132.05734	2.1
133.06519	15.4
133.10129	6.0
134.07262	4.7
134.99660	8.2
135.08028	12.8
136.07564	4.3
141.06982	11.9
142.07776	32.2
143.08559	49.2
144.05675	4.6
145.06468	43.6
145.10100	5.2
147.04407	9.4
147.08066	18.2
148.05132	4.0
149.05980	5.7
151.07524	2.6
152.06224	8.9
152.08228	2.9
153.06993	4.0
154.07806	4.8
155.08505	4.8
157.06499	7.5
157.10095	17.9
158.07245	9.3
158.99669	3.3
159.08049	34.7
160.05209	2.4
160.08824	9.0
161.05959	21.3
161.09599	20.8
162.06735	5.6
163.07559	10.3
165.07018	5.1
165.09091	3.3
167.08578	11.8
169.06494	4.4
169.10123	6.0
170.07297	8.4
171.08052	38.3
172.08852	9.9
173.05992	8.1
173.09619	5.9
174.06763	5.1
175.07567	9.1
175.11163	3.5
177.00656	5.3
177.05441	2.9
177.09065	2.5
178.06274	3.7
179.10713	4.8
180.07817	4.4
183.08009	3.2
185.09616	41.4
187.07576	10.6
187.11124	5.3
188.08389	11.6
189.09099	42.1
195.08076	8.8
197.09700	3.3
198.06772	8.4
199.07567	8.3
201.09042	2.6
203.07074	7.3
203.10617	5.8
211.07323	2.5
213.09085	48.1
215.10587	11.6
229.08722	3.2
231.10110	33.1
235.16907	19.0
241.08534	15.3
244.98938	2.6
259.09656	26.4
277.10709	100.0
277.18008	11.9
278.11124	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	11.0
57.07053	3.5
69.03406	1.9
69.68260	10.2
71.04958	1.6
71.95226	1.5
72.36040	1.6
81.03403	3.7
98.21471	2.7
98.97579	43.3
99.04427	2.2
101.00861	5.6
109.02852	4.2
109.68749	1.4
115.02407	1.8
116.98623	64.1
118.01120	3.3
119.01917	55.3
120.02021	2.5
121.01634	4.0
131.01854	5.2
133.03456	5.3
134.99660	71.2
137.02972	23.9
137.74612	1.6
139.02614	2.5
142.01054	1.9
142.03467	4.9
143.01851	4.4
145.03400	6.4
151.04564	2.6
153.00716	21.1
156.02605	1.8
157.03461	14.8
158.01212	1.7
160.04506	1.8
160.99860	1.7
161.02960	25.8
163.03891	5.4
173.02890	1.9
175.04529	18.7
177.00951	14.2
178.01045	4.1
179.00740	11.5
183.04999	1.4
185.02960	7.0
187.04492	4.0
189.06067	3.2
192.98732	1.8
199.04486	3.1
201.06036	3.9
203.03938	6.3
205.02260	3.6
205.05661	1.5
210.95747	2.8
216.98538	1.5
217.05580	2.5
217.09140	2.0
218.98663	2.0
219.02025	27.2
220.02132	3.3
221.01956	7.3
221.04504	1.7
227.03973	2.3
234.99646	2.0
235.16949	7.5
236.99622	3.6
240.98721	3.3
245.05026	3.2
250.99258	20.8
251.49200	7.1
251.99130	4.8
252.96965	1.8
256.96658	7.7
257.96811	3.2
258.96423	5.1
258.99704	39.4
259.06583	2.1
261.00250	1.9
261.02972	7.1
262.03183	3.4
262.50113	6.4
263.00195	2.4
263.02829	8.6
264.03049	1.8
274.97717	2.7
275.97873	2.3
276.97385	6.7
277.00751	100.0
277.07593	35.0
277.17975	7.2
279.00775	2.1
282.01254	1.9
284.00146	1.7
284.99835	2.9
294.74033	1.4
294.97864	3.4
295.08762	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	275.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	4.8
55.05507	35.0
56.96553	5.6
57.07076	18.8
67.05500	37.3
69.07068	59.6
70.44194	2.5
70.50362	9.0
70.50733	5.5
71.04983	2.5
71.08617	10.0
79.05492	33.3
81.07057	63.3
83.04968	6.2
83.08630	18.6
85.06536	4.1
91.04971	3.6
91.05485	53.9
93.07043	60.0
95.04955	5.9
95.08602	64.9
97.06513	10.7
97.10145	11.2
98.21467	3.3
98.97588	4.8
105.07023	69.0
106.07347	3.2
106.08691	3.4
107.04955	5.1
107.08587	57.7
109.06450	5.6
109.10146	44.9
110.31426	3.2
111.11737	3.8
116.98634	7.5
117.07013	12.1
119.08576	44.5
121.06488	4.5
121.10154	38.5
123.08115	4.4
123.11691	19.6
123.83315	3.7
125.09560	4.4
129.06975	6.0
131.08546	20.4
133.10130	41.6
134.99657	9.3
135.08041	7.2
135.11703	24.8
137.09622	3.5
137.13234	6.5
145.10112	16.9
147.11678	27.3
149.09636	6.3
149.13261	48.6
151.14897	4.2
157.10126	6.6
159.11681	18.8
161.13249	10.0
163.11189	4.6
163.14809	28.2
165.16432	3.7
166.54398	3.3
169.10106	2.7
173.09496	3.3
173.13220	7.1
175.03941	3.2
177.01814	3.7
177.16391	8.7
179.03416	12.4
179.17982	3.6
186.52486	3.3
189.01814	25.5
191.17947	7.1
201.12717	3.4
205.19514	17.0
219.14018	4.1
219.21069	12.0
226.54062	2.8
229.19458	3.4
231.06485	21.6
233.15555	3.1
239.17934	6.6
257.19016	11.8
275.09113	25.0
275.16705	6.1
275.20062	100.0
275.23239	5.6
275.27402	66.0
276.20370	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01870	5.2
55.05495	11.8
57.78866	2.4
61.30924	2.8
63.39088	2.5
63.83583	2.4
67.05505	20.3
69.07048	9.6
79.05499	23.6
81.07063	20.5
83.04969	3.5
83.08607	6.8
89.84464	2.5
89.90757	2.8
91.05476	35.3
93.07034	23.2
95.04948	5.1
95.08614	18.6
97.06531	5.5
97.10158	2.6
105.07034	48.4
107.04993	3.4
107.08588	18.0
109.06536	4.7
109.10171	7.9
115.05498	2.9
117.06979	12.2
119.08585	35.6
121.06500	5.1
121.10120	9.1
125.09526	2.6
131.08565	16.7
133.10129	32.0
135.08006	5.3
135.11742	5.3
137.09628	4.0
141.07111	3.4
143.08536	4.1
145.10080	13.3
147.08025	2.6
147.11665	15.2
149.09636	15.3
149.13232	4.8
151.11200	5.8
159.11676	10.9
161.13226	6.5
163.11148	8.8
171.11655	5.5
173.13310	5.2
175.11125	4.5
180.04369	2.6
180.40205	2.4
197.13171	4.0
224.13579	2.8
239.17949	12.7
247.20674	3.3
257.18933	13.0
275.20084	100.0
275.23148	6.4
275.27597	7.0
276.20227	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.00232	0.8
53.03924	2.1
55.01857	3.5
55.05508	13.9
57.03423	1.6
65.03918	1.6
67.05170	1.5
67.05499	21.9
69.03391	1.0
69.07061	9.4
70.12307	2.3
70.12703	1.7
71.04985	2.3
79.05054	1.4
79.05487	23.4
81.03407	1.0
81.07053	25.1
83.04958	3.0
83.08614	5.2
91.05472	37.4
93.07037	20.6
95.04984	5.0
95.08604	13.6
97.06503	4.6
97.10143	2.0
103.05463	1.3
104.44341	0.8
105.07023	53.9
107.04959	4.7
107.08580	14.6
109.06503	5.8
109.10157	9.0
109.17441	0.9
115.05456	1.3
117.06998	10.5
119.08573	31.8
121.06508	5.1
121.07231	0.8
121.10133	9.4
123.08048	3.1
123.11705	2.1
123.13055	0.9
125.09581	0.9
129.07001	3.8
130.07782	1.7
131.08556	14.2
133.06480	0.9
133.10124	34.5
135.08076	4.3
135.11678	4.8
137.09634	4.7
143.08508	2.1
145.10123	12.9
147.11679	17.7
149.09601	5.9
149.13239	2.4
151.11177	3.8
155.08582	1.4
157.10091	2.3
159.11667	9.5
161.09566	1.3
161.13257	6.3
163.11203	4.2
165.12712	2.3
169.10117	2.8
171.11700	2.6
173.13263	4.4
175.11201	1.5
177.12758	2.5
179.14360	2.0
183.11642	2.3
187.14851	1.7
189.12784	1.4
193.12193	1.1
197.13242	3.3
199.14813	1.1
205.12312	0.8
205.16092	1.0
210.13841	0.9
211.14914	1.7
215.14333	1.7
215.17926	1.1
219.13690	1.3
222.29239	1.0
229.19514	3.9
239.17920	8.5
247.20529	3.0
257.18994	11.6
275.20047	100.0
276.20367	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01856	1.3
55.05264	0.9
55.05510	13.1
55.69704	0.6
57.03437	6.6
65.03931	0.8
67.05169	1.1
67.05501	14.4
69.06723	0.9
69.07064	10.5
69.95399	3.6
71.04990	1.9
73.06542	1.0
77.03883	0.6
79.05058	0.8
79.05493	14.9
81.07056	15.8
83.04972	1.4
83.08618	5.8
85.06535	1.6
91.05478	38.0
93.07039	14.1
95.04971	3.1
95.07996	0.5
95.08601	11.6
97.06510	2.3
97.10175	1.5
97.56245	0.7
99.04444	0.7
99.08040	0.7
103.05486	1.1
105.07027	49.5
107.04977	1.4
107.08594	9.4
109.06522	3.8
109.10166	3.8
111.08086	1.3
115.05456	1.1
116.06197	0.6
117.07023	10.2
119.08579	38.8
121.06525	1.2
121.10160	4.8
123.08088	1.1
123.11660	0.6
125.09697	0.8
128.06203	0.6
129.06972	3.7
131.08563	13.1
132.09427	0.6
133.10127	24.7
135.08090	1.4
135.11725	3.3
137.09616	1.2
142.07715	0.7
143.08575	3.9
145.10121	12.1
146.92064	0.7
147.08087	1.0
147.11685	24.0
149.09619	4.5
149.13228	0.8
151.11218	0.9
155.08557	1.7
157.10088	4.3
159.10431	1.1
159.11693	13.7
161.09656	1.0
161.13260	9.5
163.11176	2.3
169.10057	1.0
171.11711	2.0
173.13237	4.6
175.11235	1.0
175.14870	0.8
179.03482	0.9
183.11691	2.2
185.13272	6.8
187.14784	0.7
189.12755	0.6
191.14288	1.0
197.13272	1.5
199.14790	0.6
201.12816	0.8
201.16370	1.7
203.14255	5.3
211.14622	0.7
219.17427	2.3
229.15897	1.3
229.19553	2.0
239.18002	3.8
257.19012	9.1
275.20056	100.0
276.20496	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01862	1.7
55.05505	11.5
57.03438	6.2
57.07061	3.2
67.05496	14.2
69.07059	8.0
69.42571	4.4
69.43002	4.5
70.06582	4.3
71.04988	2.4
71.06927	2.0
72.79277	0.9
76.44971	1.1
79.05492	15.4
81.07059	12.5
83.08601	4.2
85.06538	1.8
88.07632	6.9
89.07923	1.1
91.05477	35.6
93.07049	13.2
95.04977	2.7
95.08602	9.9
97.06503	2.6
97.10152	2.1
102.09145	1.5
103.05433	1.1
103.09499	1.2
105.07021	50.3
106.08653	3.3
107.04935	1.8
107.08580	10.6
109.06514	2.5
109.10154	3.9
115.05399	1.5
117.07008	10.9
119.08573	33.5
121.06480	1.7
121.10145	5.3
123.08072	1.6
128.06294	1.3
129.07018	3.1
131.08551	12.1
133.10126	25.5
135.08031	1.6
135.11667	2.4
143.08604	3.1
145.10117	14.4
147.11679	31.2
148.12073	1.3
149.09572	3.4
155.08510	1.9
157.10126	2.9
159.11661	11.5
161.09575	2.0
161.13252	9.0
163.11212	2.4
169.10124	1.9
171.11670	1.8
173.13271	4.4
175.14793	2.1
183.11667	2.1
185.13242	6.9
197.13289	2.0
201.12863	1.1
201.16377	2.5
203.14276	5.3
219.17546	1.7
239.17958	4.9
257.18942	9.3
257.26685	3.1
275.20050	100.0
275.27737	45.3
276.20474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	3.2
55.01661	1.3
55.01871	13.6
55.05507	20.6
57.03418	2.0
57.07067	2.3
58.70809	1.3
59.88254	1.5
65.34824	1.4
65.74290	1.3
67.05167	2.3
67.05503	28.7
69.07066	15.4
69.47247	6.4
69.47671	5.7
71.04942	2.5
79.05010	1.6
79.05488	27.7
81.03414	2.2
81.07055	39.1
83.04965	4.7
83.08604	8.3
85.06541	2.3
91.05476	61.7
93.07038	29.2
95.04961	4.3
95.08604	17.9
97.06533	17.7
97.10162	4.6
103.05454	3.5
105.07023	97.1
106.07317	2.1
107.04945	8.9
107.08585	19.3
109.06492	5.8
109.10166	9.2
111.08038	1.8
115.05414	2.3
117.07009	14.4
119.08575	47.7
121.06461	2.8
121.10121	9.1
123.08070	2.2
123.11657	3.4
125.09610	4.5
129.06979	2.2
131.08557	23.2
133.06477	1.3
133.10121	57.7
135.08015	2.7
135.11673	4.3
137.09616	1.8
141.06946	1.9
143.08527	3.9
145.10092	16.5
147.11682	26.0
149.09586	10.8
149.13281	2.1
155.08542	2.1
157.10107	2.7
159.11665	9.2
161.09641	2.3
161.13255	4.7
163.11151	2.3
165.09026	2.5
169.10124	1.5
173.13249	3.5
177.12688	1.5
183.11749	2.2
187.11127	1.8
191.10616	1.5
197.13214	2.2
203.14252	1.5
219.17445	3.6
221.25169	1.3
229.19421	2.9
239.17899	4.0
247.20462	3.1
257.18982	11.2
275.20038	100.0
275.27789	2.9
276.20377	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.2
55.01859	2.1
55.05513	9.5
56.96552	0.9
57.03434	1.1
57.07068	1.0
59.04976	0.8
65.03944	1.0
67.05502	14.3
69.07067	9.6
70.05607	2.5
71.04966	1.3
71.08623	0.9
78.75803	0.7
79.05489	15.4
81.07053	15.4
83.04967	2.0
83.08618	3.8
84.45822	0.6
91.05475	32.5
93.07039	15.0
95.04935	3.7
95.08601	10.8
97.06535	1.8
97.10156	1.8
98.21467	1.0
103.05455	1.1
105.07024	49.2
107.04941	3.6
107.08587	11.6
109.06499	3.0
109.10163	4.6
111.08098	1.5
116.98586	0.8
117.07011	9.0
119.08575	29.2
121.06499	3.3
121.10141	5.3
123.08090	1.9
123.11732	1.3
125.09605	1.1
129.06972	2.0
131.08574	11.9
133.06467	0.7
133.10117	26.2
135.08041	2.4
135.11670	3.5
137.09598	1.8
143.08530	2.8
145.10123	11.9
147.11682	18.2
149.09607	5.4
149.13185	1.2
151.11195	0.9
155.08592	1.2
157.10136	2.9
159.11690	9.9
161.13248	6.5
163.11148	3.4
169.10094	0.8
171.11740	1.7
173.13261	4.3
175.11153	1.3
175.14752	1.2
177.12770	2.2
179.10817	0.6
183.11653	1.9
185.13324	1.1
187.11133	1.6
187.14799	1.0
189.12761	0.7
193.12167	0.8
197.13370	1.0
201.12714	1.1
211.15048	1.1
215.17967	0.8
229.19479	2.6
239.17868	3.7
247.20512	2.1
257.19006	9.1
275.20050	100.0
275.27838	1.9
276.20425	2.1
276.25412	0.9
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	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.01054	1.9
55.01871	3.6
55.05507	16.6
57.03422	3.3
57.07058	2.7
67.05506	24.9
69.07063	10.6
70.84760	6.2
71.04976	5.5
79.05495	21.6
80.16317	2.0
80.23663	1.8
81.07061	24.7
83.04956	2.4
83.08595	7.0
85.06542	4.9
91.05480	38.0
93.06551	2.2
93.07056	21.6
95.04941	6.4
95.08604	14.9
105.07025	50.8
107.04962	5.7
107.08591	16.4
109.06531	6.7
109.10126	7.2
111.08073	6.5
115.05426	2.3
117.07014	10.5
119.08582	43.2
120.95936	2.0
121.06526	3.1
121.10134	12.9
123.08053	4.7
123.11703	2.6
129.06989	4.1
130.07837	2.4
131.08571	21.4
133.10138	36.6
135.08061	10.1
135.11655	5.7
137.09631	3.3
141.06967	2.3
142.07748	3.5
143.08568	8.0
144.57098	1.9
145.10149	18.8
147.11690	17.2
149.09622	4.6
157.10118	9.8
158.10927	2.8
159.11684	20.2
161.09660	3.0
161.13248	5.2
163.11159	7.0
167.10486	2.2
169.10147	5.3
171.11748	3.9
173.13275	19.6
175.11142	5.7
175.14880	3.1
175.88182	1.8
177.12900	4.6
185.13269	3.2
187.14792	4.7
191.14337	2.7
197.13229	4.9
199.14819	5.5
201.12740	5.1
213.16383	3.4
215.17886	2.1
239.17923	6.4
247.20445	2.5
256.01587	2.0
257.18942	13.4
275.20050	100.0
275.27631	4.5
276.20346	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01862	6.4
55.05291	2.7
55.05509	26.1
59.13005	2.4
61.46423	2.4
67.05503	37.2
68.53145	2.2
69.07053	7.7
70.86538	7.3
71.04984	4.7
79.05486	49.9
81.07058	23.9
83.08624	6.0
91.05479	43.2
93.07037	26.7
95.04945	2.8
95.08609	14.1
97.06543	5.1
105.06374	4.6
105.07020	54.4
107.04947	29.5
107.08597	33.6
109.10167	17.4
115.05495	2.7
116.29121	2.3
117.07029	16.1
117.38454	2.3
119.08574	31.8
121.06525	3.9
121.10130	15.2
123.11733	4.4
125.09666	6.3
129.07025	3.6
131.08536	17.0
133.10114	33.0
135.08022	5.0
135.11687	4.4
137.14751	2.3
143.08549	3.6
145.10092	14.9
147.11681	21.0
149.09604	51.1
157.10155	3.1
159.11678	8.1
161.13228	10.0
163.11011	2.5
169.10089	3.0
171.11697	2.3
173.11781	5.0
173.13303	6.1
187.11327	3.5
187.13193	3.1
191.87218	2.4
205.12291	2.6
212.02611	2.7
229.19508	9.5
239.18011	3.8
257.19000	19.9
275.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.8
55.01874	1.4
55.05511	14.9
56.96559	2.7
57.03415	1.0
57.98874	0.8
65.03939	2.2
67.05507	17.1
69.07075	8.2
70.06583	1.4
70.85673	1.1
70.86029	2.8
71.04978	2.3
79.05499	17.5
81.07059	18.5
83.04958	2.0
83.08604	5.0
91.05482	40.0
93.07044	15.9
93.98920	1.0
95.04950	3.4
95.08615	12.2
97.06519	1.0
97.10154	2.3
103.05436	1.4
105.03363	1.2
105.07032	63.4
107.04952	3.7
107.08593	10.8
109.06513	2.2
109.10152	6.1
111.08121	1.2
111.99992	4.2
117.07014	10.7
119.08580	36.6
121.00481	21.5
121.06498	4.0
121.10125	5.2
123.08037	1.2
123.11740	1.5
125.09643	1.8
129.06984	1.5
130.01013	4.3
131.08574	13.2
132.51230	1.3
133.06595	1.3
133.10129	39.4
134.01237	2.4
135.08073	1.5
135.11679	3.5
136.38678	1.0
137.09581	1.1
137.27684	0.8
143.01778	4.6
143.08578	3.5
145.10120	16.2
146.10869	1.1
147.08083	1.0
147.11694	24.7
149.02348	1.5
149.09619	6.3
151.11172	1.2
155.08472	2.1
157.10147	3.3
159.11696	9.1
161.09621	1.3
161.13252	4.9
163.00487	1.1
163.11194	3.2
167.99698	2.9
169.10103	1.8
171.11647	4.4
172.00952	4.4
173.13289	4.0
175.11162	1.1
177.00221	12.7
177.50291	1.5
183.11691	2.3
187.11169	1.2
187.14731	1.7
193.12297	1.6
197.13321	2.4
201.12758	1.4
208.02054	3.5
217.02583	13.5
217.52742	3.1
226.03159	1.1
228.53473	1.2
229.19560	1.4
233.15466	1.4
239.17969	3.7
247.20531	1.2
252.04649	6.1
253.11186	1.1
257.19022	10.0
261.05203	7.2
261.55460	1.5
272.56033	1.1
275.20065	100.0
275.27774	5.5
276.20541	2.3
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
55.01858	1.8
55.05510	6.2
56.96595	1.0
57.07066	1.7
67.05507	7.0
69.07066	13.1
70.12868	3.1
70.13277	2.6
71.04976	2.0
76.82513	1.0
79.05492	7.0
81.07050	6.6
83.08607	3.1
85.06554	3.7
91.05486	9.1
93.07040	13.2
95.04961	2.7
95.08615	9.7
97.06532	2.6
97.10210	1.0
98.21400	1.7
105.07021	13.4
107.04939	1.4
107.08601	9.9
107.12381	1.1
109.06499	3.7
109.10147	7.6
110.07254	1.0
111.08083	17.5
111.11783	1.0
113.09619	4.2
116.06213	1.1
117.07007	3.4
119.08572	12.4
121.06518	2.6
121.10151	8.2
122.07271	5.3
123.08070	15.0
123.11677	2.3
125.09592	1.4
127.59300	1.1
131.08563	10.5
132.02292	1.0
133.10136	7.2
135.08049	19.5
135.11699	4.5
137.09584	1.4
143.08543	3.6
144.09344	1.4
145.10100	9.1
147.11694	8.8
148.08891	1.2
148.61008	1.3
149.09621	7.1
149.13226	2.6
156.09387	1.6
157.10162	4.0
159.11688	11.0
161.09605	1.8
161.13336	1.9
163.11197	3.0
165.12828	2.2
169.10143	1.2
171.11671	14.6
173.13283	7.2
175.11208	1.5
175.14810	1.7
176.11984	8.1
177.12694	1.2
181.12251	14.3
183.11717	1.9
186.56247	1.2
187.14764	2.1
189.12764	2.5
191.14299	100.0
192.14615	1.9
197.13226	2.7
199.14822	6.5
201.12708	1.6
213.16350	1.3
215.17905	4.5
217.15814	5.4
239.17787	1.5
256.44022	1.1
257.18991	9.2
275.20050	46.3
275.27695	1.9
276.20242	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	1.3
55.05512	10.5
57.03442	4.1
57.07069	1.3
67.05177	0.8
67.05505	12.5
69.03381	0.8
69.07069	9.7
69.67312	1.1
70.06583	2.9
70.54061	3.0
71.04948	1.1
71.06904	1.0
71.08629	0.9
73.06549	0.9
79.05497	15.2
81.07059	13.1
83.04983	1.4
83.08636	5.9
85.06544	2.4
88.07616	3.0
89.07944	1.0
91.05482	34.5
93.07039	13.8
95.04957	2.2
95.08611	10.3
97.06527	1.0
97.10145	1.2
97.79115	0.7
103.05447	1.3
105.07035	53.3
106.08652	2.4
107.04941	1.6
107.08576	9.6
109.06522	2.5
109.10127	3.6
111.08005	0.8
116.06271	0.9
117.07005	10.1
119.08582	36.1
121.06491	2.0
121.10133	5.0
123.08029	1.2
123.11686	0.8
125.09618	1.1
129.07008	2.7
131.08578	13.3
133.06471	0.9
133.10133	28.4
135.08058	1.7
135.11703	2.6
143.08548	2.2
145.10115	13.7
147.11693	25.8
149.09630	3.1
157.10136	3.4
159.11691	13.4
161.09570	1.3
161.13278	9.1
163.11208	2.0
169.10051	1.3
171.11681	2.0
173.13203	4.2
175.11148	1.2
175.14824	2.3
183.11688	3.3
185.13280	5.4
187.11172	1.0
189.12659	1.2
197.13289	1.8
201.12830	1.5
201.16452	1.4
203.14346	4.3
211.14851	1.2
219.17369	2.0
229.19524	1.2
239.17950	3.5
257.18976	6.7
257.26559	1.9
275.20065	100.0
275.27747	30.8
276.20392	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01856	2.6
55.05301	1.3
55.05510	13.5
56.33839	1.2
67.05499	19.1
68.02570	1.1
69.07072	13.6
70.96870	1.3
71.04980	2.4
79.05495	18.2
81.07060	21.3
83.04971	2.4
83.08600	5.8
85.06558	1.4
91.05479	38.8
93.07041	18.9
95.04944	4.3
95.08598	12.8
97.06516	5.2
97.10185	1.8
98.97562	3.2
103.05473	2.4
105.07024	59.8
107.04965	2.1
107.08591	11.1
109.06519	2.9
109.10183	6.2
116.98668	1.4
117.06998	11.9
119.08580	45.0
121.02808	2.0
121.06511	2.8
121.10158	7.1
123.04406	3.2
129.06987	2.6
131.08577	17.6
133.02817	4.1
133.10130	30.3
135.08032	2.1
135.11687	3.2
141.07002	1.5
143.08572	3.9
145.10129	13.4
147.07982	1.8
147.11693	27.3
149.09589	3.1
149.13243	3.1
157.10110	5.5
159.11678	17.2
161.13240	13.3
163.11227	3.6
169.10121	2.1
171.11728	2.7
173.13274	6.1
175.14825	1.8
177.01880	7.1
178.02628	9.4
179.03381	17.1
183.11681	2.5
185.13258	2.5
187.11194	2.1
187.14810	1.4
189.01811	9.1
197.13194	2.2
203.14244	2.0
229.34595	1.5
231.06549	9.1
233.15350	2.3
239.17924	4.4
257.19009	8.9
257.22897	1.5
275.09161	27.4
275.20056	100.0
276.20404	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03918	1.0
55.01860	1.6
55.05514	9.3
56.96562	3.9
57.07072	1.5
65.03931	1.8
67.05499	23.8
69.07069	9.1
69.42300	4.3
69.42725	6.5
71.04980	2.4
75.04081	1.2
79.05059	1.8
79.05489	23.8
81.07056	31.7
83.08590	3.8
85.02889	1.4
85.06544	1.4
91.05476	32.7
93.07041	35.5
94.36268	1.3
95.04959	2.1
95.08601	25.3
97.06553	1.9
97.10177	1.6
98.97581	5.5
105.07027	37.0
107.08588	21.7
109.06496	1.5
109.10150	15.8
112.99135	2.0
113.05988	1.2
116.06278	1.6
116.98602	3.9
117.07033	6.4
119.08575	33.3
121.06483	2.5
121.10139	20.2
123.08073	3.2
123.11707	4.5
129.06992	3.6
131.00146	3.0
131.08563	15.9
133.10124	31.4
134.99660	2.2
135.08046	4.1
135.11685	11.5
137.09641	1.5
141.07007	3.6
143.08554	3.8
145.10112	16.8
147.08066	1.7
147.11682	33.0
149.01218	3.1
149.09605	4.7
149.13258	5.0
153.09079	2.6
155.08525	2.4
157.10092	4.5
158.99678	2.6
159.11673	13.8
161.01219	1.6
161.09602	3.4
161.13242	18.0
163.11163	2.7
167.10675	2.5
169.10118	5.5
171.11653	4.7
173.13235	11.1
175.11172	3.7
175.14835	3.9
177.00688	4.7
177.12877	1.2
179.10655	4.0
181.12233	1.9
183.11610	5.4
185.13231	2.8
187.11171	4.0
187.14856	3.7
189.12741	1.7
193.12209	6.0
197.13351	2.3
201.12767	3.9
205.12201	1.7
211.14801	4.9
213.16428	3.4
215.14384	1.7
215.17947	11.7
219.13799	3.8
229.15858	8.9
229.19490	1.5
233.15471	2.2
239.17946	8.4
257.18964	13.5
275.20041	100.0
276.20404	3.6
277.21643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37976	0.4
55.05495	0.3
56.96557	0.8
67.05502	0.6
69.03437	0.4
69.07039	0.5
71.04987	0.4
71.54931	0.4
71.55278	0.4
79.05497	0.5
81.07037	0.6
84.07698	0.4
84.08133	2.2
85.02872	0.4
91.05481	3.9
93.07020	0.5
95.08611	0.9
97.06548	0.5
102.71554	0.4
104.41531	0.4
105.07024	1.0
107.08615	0.5
109.06544	0.3
112.11227	5.3
113.95089	0.3
117.06936	0.3
119.04938	12.3
119.08628	0.5
121.10132	0.6
129.13872	3.8
130.06516	0.3
131.08560	0.5
133.10115	0.8
143.08640	0.5
145.10062	0.4
147.04402	100.0
147.11659	0.6
148.04749	0.6
149.05942	0.4
149.09544	0.3
155.11774	1.0
170.33868	0.3
194.90442	0.3
203.04070	0.5
204.10196	69.9
205.10522	0.9
228.37483	0.3
244.12051	0.5
245.11786	1.1
275.17523	53.4
276.17944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23840	1.2
53.03945	1.6
55.01856	1.7
55.05515	16.4
56.96550	5.2
65.03971	1.4
65.04299	1.2
67.05503	16.6
69.07067	9.6
71.04962	2.9
71.12689	2.9
79.05490	17.1
79.93697	1.2
81.07055	19.4
83.04952	1.2
83.08602	5.3
85.06532	2.2
91.05479	46.3
93.07034	14.5
95.04972	3.3
95.08594	13.8
97.06496	1.5
97.10188	2.1
103.05453	1.8
105.07029	63.1
107.04945	1.9
107.08580	11.0
109.06522	1.9
109.10147	5.3
117.07002	12.3
119.08582	35.1
121.06483	2.0
121.10103	6.9
121.92361	1.3
129.07034	2.7
131.08565	15.5
133.10127	45.6
135.11691	3.1
143.08568	2.7
145.10106	15.2
147.11673	23.1
149.09627	6.6
157.10139	2.7
159.11684	10.2
161.13289	6.5
163.11192	2.4
169.10176	1.3
171.11752	2.3
173.09537	1.3
173.13248	4.8
175.11179	1.4
175.14774	1.4
183.11717	2.7
197.13321	3.9
229.19414	2.1
233.15392	1.5
235.09872	1.3
239.17946	4.3
253.11057	11.2
257.19019	8.8
271.12167	5.3
275.20050	100.0
275.27740	5.1
276.20370	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07707	1.3
56.96550	4.9
67.76589	1.2
69.03426	1.9
70.29801	1.3
70.82458	4.2
71.04985	3.3
72.08173	1.5
73.89479	1.4
84.04502	1.4
84.08131	3.3
84.19304	1.2
85.02901	2.5
86.09724	2.7
91.05469	1.5
97.02882	2.4
97.06534	2.4
98.97549	2.0
111.55579	1.2
115.11558	1.3
116.98672	1.9
119.01917	2.4
134.99689	2.0
146.99690	1.7
177.00589	1.4
183.08058	1.3
257.02661	17.5
257.09488	1.5
275.03802	11.5
275.11014	100.0
275.27975	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85275	0.5
56.96547	2.0
58.97427	0.6
64.64516	0.6
69.03452	0.6
69.96004	0.6
70.06569	0.7
70.94936	1.2
70.98124	0.8
73.52520	0.6
80.01376	0.6
81.03464	0.6
84.08120	2.0
85.02871	1.0
97.02927	0.8
98.97559	1.0
105.73977	0.6
119.01895	2.2
119.40979	0.5
125.07139	1.4
129.10226	0.7
131.01840	1.1
136.06169	1.4
137.02904	0.7
143.01900	1.1
146.99655	0.6
161.02950	1.7
165.00746	0.7
173.02888	0.7
190.98627	1.4
221.05084	0.9
232.99605	1.0
275.11002	100.0
276.11203	0.9
293.10519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
52.39520	0.6
55.01868	1.2
55.05510	7.9
56.96554	2.2
57.07065	1.9
65.03949	0.7
67.05500	8.2
68.36422	0.6
68.99792	1.7
69.03413	0.9
69.06715	0.8
69.07062	9.7
71.04929	0.6
71.37485	0.9
71.37817	0.7
79.05485	7.0
81.03420	0.9
81.07054	15.4
83.04980	3.7
83.08602	4.4
89.03909	0.7
91.05473	8.5
93.07050	7.1
95.04965	1.3
95.08602	17.8
97.02856	0.9
97.06526	2.2
97.10149	2.4
98.07301	0.8
98.97604	1.7
103.05475	1.0
105.07018	9.7
107.04945	2.6
107.08588	7.9
109.10149	9.2
111.11695	1.2
114.69976	0.6
115.05431	0.7
116.98638	1.3
117.07013	2.4
119.04905	0.6
119.08572	5.3
121.02850	1.5
121.06565	0.9
121.10146	5.0
123.04395	2.2
123.11687	5.6
129.06990	1.8
131.04967	1.4
131.08553	4.5
133.02837	1.7
133.10127	5.0
134.99591	0.9
135.04366	1.7
135.08003	0.6
135.11697	4.3
137.13246	2.6
141.11488	0.6
143.08513	1.6
145.06520	0.9
145.10114	3.1
147.04420	4.8
147.08023	0.7
147.10696	0.7
147.11705	4.7
149.02338	1.2
149.05940	0.8
149.13264	4.1
150.03113	1.1
151.03914	1.2
155.08505	1.7
157.10069	0.8
159.04402	1.4
159.08051	1.3
159.11700	1.9
161.13257	1.0
163.03894	17.5
163.05217	1.0
163.14833	3.1
164.04662	2.3
165.16357	1.0
168.05750	0.6
169.10127	0.9
171.04414	1.3
171.11716	1.8
173.05984	1.2
173.09599	1.4
173.13216	1.8
175.03929	1.0
175.14790	0.6
176.04643	0.8
177.01894	3.7
177.05473	2.4
177.16359	1.7
178.02583	3.5
179.03380	12.3
183.08041	1.1
186.06714	0.6
187.03902	1.4
189.01865	1.4
191.03389	21.2
192.04169	21.8
193.04796	1.0
199.03888	0.9
200.04578	1.4
201.09102	1.5
203.03387	25.0
204.04062	1.7
205.01276	1.8
205.04987	1.3
205.19571	0.6
211.07556	1.3
213.05446	0.6
215.06929	0.7
216.04170	1.4
217.04984	6.4
218.05602	2.8
219.02982	1.0
219.21001	1.1
223.02415	2.7
229.04973	0.8
231.06549	2.6
231.08681	1.0
239.84125	0.6
245.08015	0.8
245.11763	1.1
246.12288	0.6
247.09654	37.6
257.08041	3.9
257.18933	1.1
275.09122	100.0
275.20074	15.0
275.27377	8.6
276.09451	1.4
293.10547	0.7
298.38657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0374
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
54.37188	5.4
56.96565	9.6
69.95595	23.4
70.06598	12.4
71.65315	4.4
72.93777	7.6
77.32713	4.4
84.04504	11.5
84.08149	12.6
85.02917	8.5
86.09711	10.7
87.10026	7.8
98.21471	5.7
98.44296	5.0
98.97582	7.5
112.99274	5.1
113.00040	18.1
116.98608	8.2
119.01918	9.0
124.60686	4.6
130.05113	4.6
134.99643	4.4
143.03152	8.6
144.95827	5.1
145.64076	5.3
158.97388	5.7
173.58374	5.1
174.07712	5.0
190.47939	4.9
215.01675	11.5
234.99040	13.9
257.02704	100.0
261.03033	5.5
274.27475	5.7
275.03735	68.5
275.10904	79.7
275.13611	5.5
275.16943	6.0
275.20035	5.7
281.31537	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	275.0484
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
55.01851	0.2
55.93526	0.2
56.96542	0.4
65.46318	0.2
67.05493	0.6
70.06581	0.3
70.41961	0.7
71.04986	0.7
79.05483	0.3
79.73325	0.2
80.05016	0.3
81.03368	0.3
81.07055	0.3
84.04490	0.9
84.08136	0.3
85.02880	0.3
85.06529	0.3
86.09682	0.6
89.03895	0.4
91.05511	0.5
92.04992	0.6
93.07043	0.7
95.04980	0.2
95.08590	0.4
97.02855	0.3
97.04005	0.6
98.97572	0.5
104.05008	0.3
105.07033	0.5
107.08609	0.3
108.04481	1.8
116.98624	0.5
117.03362	0.5
119.08556	0.4
121.10149	0.2
127.10476	0.3
128.06213	0.2
130.04994	0.6
133.06541	0.3
133.10126	0.5
134.99637	0.4
135.04437	0.4
137.09496	0.2
145.02846	0.3
146.06012	0.8
147.04330	0.6
147.11652	0.3
163.03914	2.2
168.58528	0.2
173.02351	0.7
175.14728	0.2
177.01929	0.3
182.08401	1.0
185.13258	0.3
193.07590	2.6
194.08394	16.2
195.09174	5.4
209.07065	0.6
210.07860	0.7
211.08670	3.4
214.04962	0.3
214.08594	0.3
226.07365	17.0
257.05716	0.3
275.04837	100.0
276.05176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	86.6
66.77607	6.0
69.03420	7.2
70.88136	13.5
70.98129	34.9
73.02917	8.0
78.45136	7.0
84.08157	12.0
88.99162	19.4
98.97607	18.5
107.00153	6.3
116.98600	15.6
125.07097	46.1
127.86021	5.4
128.98602	13.9
134.99678	10.4
146.63161	6.6
146.99655	22.2
156.02618	5.5
165.00774	16.6
172.97615	18.3
174.99091	12.9
183.01839	6.5
190.98630	100.0
191.00290	8.3
193.00307	35.4
205.00183	12.9
208.99648	33.0
212.78119	7.8
218.98155	17.3
223.01308	7.6
232.99628	41.8
236.99181	9.4
251.00745	33.2
257.11313	6.8
275.01651	11.5
275.10968	20.6
289.63898	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	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89721	14.9
55.05498	14.6
55.09597	13.1
55.93527	15.3
56.96574	65.1
59.22512	13.8
67.05511	21.4
69.03418	23.2
71.17938	16.0
71.18296	29.7
72.12502	12.5
84.04499	24.4
84.08147	33.9
85.02895	16.6
98.97586	87.9
105.18845	13.4
110.15635	13.9
113.00057	32.0
116.98647	100.0
120.08066	15.0
128.98572	14.3
130.05023	16.1
134.99648	70.4
149.96025	19.7
177.00723	62.0
195.01796	60.2
265.02219	19.6
274.27280	21.4
275.06430	27.6
275.09595	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	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01339	0.6
56.96569	6.7
57.85336	0.6
58.99861	1.3
65.03948	1.1
67.05496	3.1
69.03432	2.5
71.58260	1.2
71.95246	1.0
76.09663	0.7
77.00902	1.5
80.20794	0.7
81.03414	1.6
82.99870	1.7
83.04982	2.4
84.04501	2.7
84.08141	3.5
85.02898	1.6
86.13592	0.6
86.99293	0.7
93.03402	1.7
95.04964	3.7
97.02914	2.2
98.97587	12.7
101.00868	10.3
103.02467	2.3
105.00381	1.3
109.01339	1.5
109.02902	1.3
111.04462	2.1
113.00825	0.9
115.02459	1.2
116.98625	16.5
117.03994	1.6
119.01922	100.0
120.01988	1.6
121.01707	1.0
121.02862	7.2
121.03576	1.0
125.04558	1.3
127.02424	6.1
129.04018	1.8
129.10239	0.9
131.01917	5.3
133.03464	3.1
134.99657	15.1
135.05022	2.3
137.02957	49.3
139.02396	0.8
139.03897	2.0
141.03970	1.4
142.03505	2.2
143.01877	5.1
143.05559	2.4
145.03464	65.8
146.99593	0.9
147.01421	1.9
147.05045	2.5
149.02916	1.0
152.99608	0.8
153.00737	3.2
153.03954	1.4
155.01900	1.7
157.03471	12.5
159.01408	0.7
159.05037	9.0
160.04512	1.3
161.01437	1.0
161.02953	15.5
161.06593	2.4
163.04524	11.5
165.02556	0.9
167.01862	0.7
168.05042	1.2
168.98502	0.7
169.03467	45.3
170.06517	1.0
171.01413	2.4
171.05035	11.6
172.95309	1.3
173.02985	2.4
174.97997	0.8
175.04515	7.5
175.08200	1.9
176.49362	1.1
177.00928	3.3
177.06125	3.3
179.01912	0.9
183.05034	1.0
185.01315	1.5
185.02966	24.8
185.06581	2.9
185.22104	0.8
187.04521	75.8
189.01030	0.8
189.02472	5.2
189.06100	4.0
190.95444	1.1
191.03952	1.4
193.03613	1.0
194.03259	0.7
194.98601	0.7
195.05058	4.5
197.02954	11.2
198.97060	2.1
199.07269	0.7
200.07390	1.0
203.02496	1.3
203.04039	13.1
205.05597	15.4
207.03583	2.4
208.48859	0.9
208.96527	0.9
210.06093	3.0
211.04518	3.9
213.00529	0.9
213.02484	2.5
213.06049	2.9
214.96388	2.0
215.00397	2.0
215.03990	17.0
216.94937	0.7
216.99020	0.9
219.02092	0.8
220.02158	0.7
221.01457	1.6
221.03072	2.4
221.05133	1.5
224.04703	0.9
227.00150	1.0
228.98094	8.8
229.05582	35.9
230.48273	0.9
230.98190	1.0
231.03552	5.4
232.52353	0.9
233.01584	1.5
234.99785	1.2
238.05530	0.8
239.03972	2.3
239.06166	1.1
247.01396	1.0
247.06635	26.5
249.04642	3.4
251.48560	0.9
251.99825	4.7
256.97168	1.4
257.05133	3.7
260.98969	1.3
262.99890	1.0
270.08264	1.2
274.94574	0.8
274.97546	12.3
275.06122	81.7
292.89917	0.9
292.98508	8.2
293.07123	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88607	1.0
56.96558	2.4
60.07885	0.9
60.08164	11.6
65.12629	0.9
67.05460	0.8
69.44627	3.2
69.45055	4.5
71.04995	100.0
84.04498	1.7
84.08150	1.9
85.02905	28.4
86.09212	1.7
86.09708	27.1
97.02905	1.0
98.97581	2.3
113.06000	3.0
116.98616	2.7
124.45573	0.8
131.07051	8.2
134.99687	1.9
144.10193	3.3
145.06129	1.2
146.99590	1.1
157.13383	12.1
160.02733	0.8
177.00710	1.2
185.12839	4.5
213.40701	1.0
215.09140	11.3
274.16495	54.1
274.27649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75117	7.5
54.83701	8.2
56.96572	48.5
57.07077	11.3
70.06580	8.5
70.69550	7.5
71.51271	18.4
74.98702	8.3
75.45193	7.6
88.07629	14.7
98.97586	56.5
98.98746	8.1
109.86662	7.6
116.98638	81.9
119.67645	8.5
130.93341	9.1
134.99675	81.1
138.69205	10.0
140.00146	9.7
149.44347	8.2
153.00746	12.6
228.89938	13.0
246.91023	45.5
250.57271	9.8
256.26221	9.8
264.92093	11.5
268.94180	25.8
274.27380	100.0
274.97467	25.6
283.48944	10.5
288.92487	8.3
292.98560	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03934	4.7
55.01865	4.6
55.05501	22.6
55.68697	2.8
56.96553	8.8
57.03414	3.9
57.07076	15.0
67.05504	34.2
69.06764	3.5
69.07069	37.7
70.57987	6.1
70.58332	8.0
71.04984	4.0
71.08639	5.7
79.05503	25.8
81.07056	74.7
83.08619	16.2
91.05484	30.5
93.07040	46.7
95.04910	5.8
95.08607	71.8
97.06525	3.8
97.10171	7.8
98.97572	10.8
105.07028	54.8
107.08580	43.3
109.10149	49.9
113.36710	3.5
116.98640	4.0
117.07003	9.2
119.08573	46.0
121.06484	3.4
121.10143	36.9
122.42786	3.0
123.11674	22.2
123.32365	3.6
128.06223	4.1
129.06985	4.3
131.08549	14.2
133.10121	34.2
134.99658	5.2
135.11678	27.3
137.13242	4.6
143.08566	9.4
145.10100	9.1
147.08041	3.8
147.11693	37.3
149.13290	19.6
157.10081	8.3
159.08009	4.5
159.11665	7.6
161.09627	5.7
161.13235	33.2
163.14810	12.6
171.11601	6.7
173.13168	3.9
175.11211	4.4
175.14774	17.8
177.00661	4.5
177.16382	9.3
189.16386	15.3
191.17984	4.7
197.13290	4.0
203.17931	11.1
208.64223	3.2
213.12709	3.5
215.14478	4.4
217.19522	20.0
231.21135	3.7
242.12941	3.2
255.17485	7.2
273.14645	3.1
273.15521	3.1
273.18649	31.3
273.23053	4.9
273.25751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05508	14.4
57.07063	7.9
58.08086	3.2
67.05504	19.6
69.07063	32.5
70.78625	6.4
70.78997	5.8
79.05476	10.3
81.07056	69.4
83.08628	14.6
91.05466	10.1
93.07040	33.1
95.08050	5.5
95.08602	63.9
97.10152	8.6
99.78357	2.9
105.07047	21.2
107.08583	49.3
109.10154	57.4
111.11725	5.7
119.08596	22.4
121.10143	45.2
123.11706	36.8
133.10112	10.2
135.11679	31.4
137.13260	9.9
147.11681	21.2
149.13246	46.6
151.14781	6.7
161.13237	25.1
163.14816	23.6
175.14813	12.1
177.16379	18.4
189.16347	21.2
191.17963	9.8
203.17949	17.5
217.19562	28.2
273.23135	3.5
273.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.29498	1.1
55.01872	1.4
55.05507	3.8
55.32574	1.4
55.89566	1.4
56.49246	1.2
56.96565	1.9
57.07073	2.9
59.05006	1.6
67.05499	8.1
69.03423	2.0
69.07059	4.9
69.86071	7.3
69.86488	2.2
71.04976	4.6
79.05492	6.2
79.64151	1.2
81.07051	9.2
82.36417	1.3
83.04971	4.3
83.08608	3.4
85.06540	3.5
87.23095	1.1
91.05478	9.6
93.07036	10.3
95.04968	22.9
95.08597	7.4
97.06533	2.8
98.21610	1.3
98.97591	1.8
99.08064	2.0
105.07024	18.3
107.08582	10.5
109.06509	24.9
109.10164	8.9
111.08087	4.1
113.06040	2.0
115.05474	2.8
116.98576	1.9
117.07010	6.2
119.08575	24.1
121.06480	1.8
121.10124	7.7
123.08060	23.4
123.11683	3.4
128.06161	2.3
129.07007	6.5
130.07765	2.4
131.08565	16.2
133.06511	1.9
133.10118	12.8
135.08034	10.5
135.11636	2.1
137.09605	7.1
138.95409	1.5
141.06993	2.5
142.07791	6.6
143.08575	10.4
144.09357	3.3
145.10117	35.7
147.08028	5.6
147.11690	16.9
149.09567	2.9
151.07544	3.9
151.11194	3.9
155.08549	4.1
156.09338	12.9
157.10129	25.8
158.10866	3.7
159.08054	6.3
159.11676	12.8
161.09613	7.6
161.13266	2.8
163.11208	2.5
165.79205	1.5
167.08588	2.7
169.10130	6.2
170.10942	3.0
171.08176	1.6
171.11694	21.6
172.12497	3.3
173.09630	8.3
173.13251	28.1
174.10414	2.6
175.11195	11.2
181.10124	4.0
182.10904	3.3
183.11694	3.9
185.09586	1.7
185.13210	8.7
187.11172	15.5
187.14812	6.0
188.11868	1.6
189.12752	15.5
195.11688	4.1
196.12518	2.3
197.13263	14.5
199.11148	12.9
200.12035	2.3
203.14355	6.0
207.11639	2.4
211.11197	2.0
211.14883	3.4
212.15453	1.8
213.12746	5.6
213.16389	13.8
215.14313	39.5
217.12207	10.5
225.12715	3.4
227.17938	2.8
229.15843	3.5
231.17451	15.3
237.16341	5.2
240.15099	3.7
243.13878	2.0
245.18750	1.7
255.17429	30.8
258.91757	1.6
273.06815	4.2
273.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01874	0.2
57.71330	0.2
64.09084	0.2
65.03922	0.3
67.01528	0.4
67.01865	5.7
67.05452	0.3
68.99782	2.7
69.03423	1.6
69.32217	2.4
78.00272	0.2
81.03396	0.7
81.68018	0.2
83.01321	0.6
91.05478	6.0
95.04967	1.9
97.02879	1.0
98.21526	0.5
105.07014	0.3
107.04939	2.4
111.00797	0.7
111.04379	0.3
117.86311	0.2
119.04939	15.3
120.05260	0.3
121.02901	0.3
121.06490	1.2
123.04421	3.2
125.02357	0.6
125.04052	0.2
127.03950	0.4
129.01822	0.5
145.10106	0.3
147.04405	38.6
148.04739	0.2
151.03969	0.5
153.01822	100.0
154.02150	1.4
161.05988	0.3
171.02881	22.8
172.03151	0.3
179.03377	1.7
181.06503	0.5
184.16638	0.2
189.05411	0.9
213.09103	0.3
231.06535	0.6
255.06549	0.5
273.07571	76.8
274.07938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03924	2.3
55.01872	2.5
55.05515	10.2
56.96550	3.6
57.07074	4.7
58.40159	2.0
65.29475	2.0
67.05507	11.1
69.03407	2.4
69.07063	11.0
70.78246	4.9
79.05482	12.1
81.07052	17.7
83.04972	4.3
83.08616	6.3
85.06541	5.1
91.05476	18.4
93.07054	19.3
95.04939	7.1
95.08597	14.1
97.06515	5.3
98.97533	2.7
103.05492	2.4
105.07025	33.8
107.04980	2.5
107.08584	18.2
109.06530	22.8
109.10129	8.2
111.08044	3.0
115.05398	3.7
116.98606	3.1
117.06992	11.7
119.08571	31.1
121.10133	17.5
121.21552	1.9
123.08028	4.4
123.11663	2.9
128.06212	6.7
129.07011	12.1
130.07767	2.9
131.08569	19.8
133.06474	11.1
133.10124	8.8
135.08040	8.7
135.11694	5.1
137.09645	3.5
141.06990	6.3
142.07770	10.1
143.08556	23.3
144.09390	3.5
145.10124	18.6
147.04349	2.0
147.08031	6.4
147.11681	12.0
149.09601	9.1
149.13206	2.9
153.01811	5.6
155.08582	16.9
156.09366	14.7
157.10124	31.5
158.10938	3.6
159.08093	3.5
159.11722	15.3
161.09607	6.8
165.07040	4.3
166.07762	3.2
167.08543	7.8
169.10110	20.7
170.10875	5.9
171.11682	33.6
173.09599	15.6
173.13237	10.4
175.11165	13.0
179.08495	2.9
180.09341	4.7
181.10147	9.9
182.10904	10.6
183.11690	10.5
184.12410	2.6
185.09570	2.8
185.13284	10.0
187.11159	4.8
187.14804	4.2
189.12793	16.1
193.10037	3.4
195.11679	9.1
196.12480	6.8
197.13252	39.1
198.13997	4.2
199.11214	17.7
199.14934	2.7
207.11736	6.1
208.12486	2.9
208.91985	2.1
209.13300	4.4
211.14807	18.4
212.11923	2.3
212.15619	9.8
213.12785	6.2
213.16391	31.0
214.13461	5.4
215.14325	12.9
217.12273	4.6
221.42278	2.3
222.13968	5.6
225.12726	5.9
227.14288	12.4
227.17853	3.4
229.15933	10.2
230.16725	4.3
231.17436	6.2
237.16385	8.7
239.23032	2.6
240.15118	5.3
255.17426	62.3
273.06631	12.3
273.18497	100.0
273.25308	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	272.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.7
61.02927	4.1
69.03426	6.8
70.39394	5.6
70.39780	5.8
73.02911	10.5
74.09718	6.0
81.03439	3.2
85.02904	20.2
85.71737	2.5
94.93011	11.4
97.02911	8.4
99.21733	3.4
119.01916	8.2
127.03918	4.4
130.07805	2.6
131.01903	3.5
136.94043	8.6
138.03419	3.7
143.01892	14.3
144.01872	2.8
147.03963	3.5
155.01926	5.3
156.04216	100.0
161.03012	13.5
162.03059	2.8
173.02998	12.7
174.04527	8.6
174.54564	3.2
176.93526	88.2
176.95039	5.7
183.04977	21.5
185.02989	10.4
188.93454	5.5
192.05528	9.7
203.03943	8.1
245.05029	6.0
254.96742	10.8
263.06168	8.1
272.97778	33.8
273.62766	4.0
294.18735	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.65551	0.4
52.83497	0.4
65.03902	0.4
67.01871	2.5
68.99753	1.5
69.03394	1.5
69.55357	0.4
70.42567	1.1
83.01308	0.5
91.05483	6.8
95.04967	2.7
97.02859	1.0
98.21342	0.5
105.06986	0.5
107.04959	2.4
107.08580	0.5
111.00761	0.7
119.04096	0.9
119.04945	18.5
120.05283	0.7
121.02893	0.6
121.05544	0.5
121.06470	0.8
123.04440	3.4
129.01770	0.6
133.06502	0.6
143.08554	0.5
147.04410	46.1
151.03986	0.5
153.01830	100.0
154.02174	2.5
155.02328	2.2
157.06531	0.6
157.10168	0.7
163.03926	0.5
169.23102	0.5
171.02904	5.5
189.05473	1.1
213.09151	0.6
255.06651	0.9
273.07364	86.7
274.07935	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.9
52.88707	0.7
53.03938	1.4
55.01853	1.7
55.93514	1.7
56.96557	2.5
57.03434	7.5
61.02687	0.6
61.02926	6.2
69.03081	0.9
69.03426	17.3
69.07056	1.0
70.06590	1.9
70.20663	1.4
70.21074	3.0
71.01348	0.8
71.04983	4.5
71.50919	0.7
72.08145	1.7
73.02922	12.7
75.04454	0.9
77.03931	0.9
79.05489	1.1
81.03418	9.5
85.02901	5.3
87.04472	1.0
91.03951	1.1
91.05468	1.1
92.05009	1.6
93.90682	0.7
94.06539	3.6
95.04952	2.5
97.02899	5.1
99.04449	12.3
101.02404	1.1
104.04987	3.5
105.03385	3.4
106.06535	2.4
115.03912	2.1
115.05472	0.9
116.98610	2.3
117.05477	9.5
117.06937	1.0
118.06553	14.3
119.01777	1.0
119.03379	1.6
119.08560	0.9
120.04466	39.3
122.06026	13.6
123.04427	0.8
127.03902	1.1
130.06479	5.0
132.04448	100.0
134.05998	12.5
134.99583	0.9
138.05498	9.8
144.08052	3.1
146.06018	15.6
148.03967	1.0
148.07574	1.4
150.05502	77.8
151.05797	1.1
154.06514	3.2
157.07565	0.8
158.06018	4.7
160.07564	1.1
162.05482	1.3
164.07030	1.2
170.06012	2.9
172.07567	16.2
176.06978	1.3
179.03423	4.2
180.06462	0.9
190.08582	1.9
191.03865	0.8
200.07068	10.3
218.08121	39.3
235.94244	1.1
236.09169	10.0
237.02675	1.1
239.97240	1.9
254.10240	18.3
255.03670	1.2
263.93369	1.7
267.96609	3.0
268.05753	0.8
271.01175	0.8
272.06345	3.7
272.11285	61.5
272.97379	1.1
281.94638	1.0
290.98148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77745	0.8
51.31266	0.9
51.99070	1.0
53.03944	1.6
55.01853	1.2
55.05499	3.8
56.05014	2.2
56.96562	9.2
57.03440	12.3
61.02892	1.7
68.05032	2.5
69.03432	6.8
69.99284	3.8
70.02924	1.5
70.06591	14.0
72.08137	4.4
73.02913	6.2
73.06538	2.3
77.02233	0.9
79.05476	3.0
81.03401	2.7
81.04550	1.4
81.07061	8.6
82.05322	2.1
83.06105	10.8
84.04511	1.4
84.08121	3.9
84.96000	2.8
85.02902	8.4
86.09689	3.9
88.26835	1.1
93.04549	6.7
95.06085	17.5
95.12613	1.1
97.02886	8.5
98.06049	1.1
98.97588	10.5
102.97005	1.0
107.04913	1.0
108.88692	1.0
109.02861	2.4
110.07164	100.0
111.05579	2.9
112.08687	3.3
116.07073	2.1
116.92480	1.1
116.98602	8.9
118.97746	0.9
119.01768	3.8
121.89880	1.0
127.03911	2.6
128.02269	2.5
128.98590	3.4
129.10237	1.4
134.99672	7.0
139.04991	1.3
140.02272	3.5
140.03323	2.0
143.00197	1.5
145.04953	1.4
146.99597	3.2
147.04364	1.4
149.02847	1.3
151.12332	1.1
152.02226	1.3
155.02838	1.2
155.04630	9.1
155.54793	1.3
156.07681	10.6
157.63689	1.1
158.99663	4.4
161.01222	4.4
161.02850	2.5
163.12325	9.1
164.05153	4.6
164.48473	1.2
166.55377	1.4
170.03293	1.9
170.99643	2.5
173.01242	1.6
173.02803	2.5
175.11877	2.0
177.00697	5.5
182.03351	7.4
182.53494	1.0
189.00681	4.3
190.13385	3.2
190.96333	1.2
191.02356	1.5
191.03935	14.2
191.05635	1.5
191.54057	1.9
198.13620	1.1
200.04413	4.8
201.00670	5.9
202.54723	1.5
207.01718	1.3
208.14461	15.0
211.14384	1.3
219.01794	5.0
226.15486	20.3
227.06703	2.9
227.13831	1.6
228.17088	1.4
237.00615	2.5
237.02879	2.9
254.14987	15.0
261.02808	3.0
263.05920	1.3
272.06387	4.8
272.16025	84.9
273.09314	1.5
273.16190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03935	2.3
55.01862	2.3
55.05510	38.9
56.96552	2.2
57.03436	23.7
57.07063	2.1
59.05002	1.1
65.03939	1.3
67.01743	0.8
67.05503	56.4
67.25074	0.9
69.03426	1.8
69.07066	31.6
69.31567	5.5
69.31992	3.7
71.04986	13.4
79.05486	25.2
81.07054	83.6
81.41817	0.9
83.04974	5.3
83.08613	21.0
85.06542	9.5
91.05479	22.3
93.07047	21.8
95.04957	2.8
95.08604	100.0
96.08916	1.5
97.06523	15.8
97.10156	4.8
98.20685	1.4
98.97581	1.9
99.08112	4.8
101.05973	1.1
105.07032	16.9
107.08585	11.1
109.06505	2.9
109.10147	12.1
111.08121	4.1
113.09606	1.6
113.55192	0.8
115.07541	0.9
116.98628	1.3
117.06986	2.2
119.04956	1.4
119.08574	22.1
121.10116	5.1
123.08060	4.6
123.11709	2.4
127.07583	1.8
131.08655	1.0
133.10123	14.2
135.11673	8.7
137.09608	3.4
137.13246	6.2
139.88962	0.8
145.10051	1.6
147.11687	1.1
149.13240	1.9
150.99176	0.9
151.14798	0.9
153.01799	1.5
159.11725	2.1
161.11961	1.9
161.13257	30.9
173.13255	1.2
177.00742	1.8
179.14302	12.9
185.13225	0.9
197.15363	1.8
215.17976	1.0
223.34845	0.9
253.18008	3.5
253.28336	0.8
271.05957	13.9
271.19046	52.4
271.24173	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	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01876	4.5
55.05298	4.2
55.05511	51.2
56.96571	20.6
57.07076	9.4
67.05503	49.6
69.03420	7.1
69.07067	69.8
69.07417	8.3
71.04982	10.1
71.08613	4.6
71.60223	6.7
75.47034	4.1
79.05496	25.0
81.03403	4.8
81.07059	68.9
83.04938	5.5
83.08621	42.3
85.06534	5.9
91.05479	24.9
93.07044	34.3
95.04969	8.7
95.08602	65.7
97.06529	13.6
97.10168	39.1
98.97592	10.4
102.28114	4.5
105.07042	27.2
107.08603	26.6
109.10152	40.2
109.34845	3.9
111.08137	4.4
111.11700	11.1
112.07600	20.0
116.98634	8.7
117.07004	4.8
119.08575	29.2
121.10144	27.1
123.11705	18.5
125.09696	6.3
125.33722	4.0
129.07018	7.1
131.08572	12.8
133.10115	23.1
134.99614	5.7
135.11671	21.9
143.08566	4.8
145.06465	5.5
145.10101	12.8
147.11728	22.3
149.13248	11.7
151.11208	5.4
153.01852	9.4
153.12723	5.5
156.09322	4.6
159.08032	35.0
159.11726	14.8
161.13281	10.9
165.06956	4.5
165.12740	8.0
169.08714	4.2
170.97552	8.3
171.11720	10.6
173.13269	7.4
175.14870	5.9
177.00674	5.9
187.14781	7.5
201.16426	8.3
215.17941	7.4
217.19536	18.6
235.20607	12.1
254.15688	14.3
271.06009	100.0
271.09134	6.2
271.16980	17.1
271.20444	9.2
271.24234	31.9
272.06393	6.2
272.16956	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01854	0.2
55.05509	3.4
56.96558	0.5
57.03183	0.2
57.03435	2.2
57.07064	0.3
60.95486	0.1
65.03934	0.3
67.01860	1.8
67.05502	4.9
68.99789	1.1
69.03412	0.2
69.07064	3.2
70.42766	0.4
71.04996	1.1
79.05058	0.2
79.05489	2.3
81.03414	0.2
81.07053	8.1
83.04962	0.6
83.08613	2.0
85.02932	0.1
85.06545	0.7
86.80759	0.1
91.05474	4.2
93.07039	2.5
95.04944	0.4
95.08603	8.9
97.02868	0.1
97.06522	1.3
97.10178	0.6
98.97566	0.3
99.08075	0.4
105.07025	2.1
107.08575	1.2
109.06527	0.2
109.10159	1.4
111.00809	0.2
111.08064	0.3
113.09679	0.1
115.05444	0.2
116.06188	0.1
116.98647	0.3
117.07001	0.3
119.04937	5.7
119.08574	2.4
120.05250	0.2
121.02871	1.6
121.10120	0.7
123.08037	0.5
123.11650	0.3
125.02377	0.2
125.09621	0.1
127.03827	0.1
127.07555	0.1
129.01826	0.5
129.06981	0.4
131.08534	0.7
133.06389	0.1
133.10124	2.2
134.99663	0.2
135.08017	0.1
135.11693	1.0
137.09605	0.3
137.13245	0.7
141.06963	0.3
143.08559	0.2
144.05693	0.3
145.02831	1.5
145.06442	0.2
145.10103	0.7
147.11665	0.4
149.13243	0.5
152.84172	0.1
153.01819	10.9
153.06902	0.2
154.02136	0.3
155.05019	0.2
155.08458	0.3
157.06448	0.2
157.10156	0.3
159.06812	0.2
159.08052	3.0
159.09357	0.2
159.11642	0.6
161.13242	2.5
163.03934	1.0
163.14777	0.2
168.07976	0.1
169.06500	0.2
169.10141	0.2
170.07034	0.1
170.97546	0.1
171.02895	2.1
171.11684	0.2
173.09634	0.2
173.13280	0.5
175.14807	0.2
179.14290	1.0
183.07889	0.2
183.10370	0.2
183.11751	0.1
185.09621	0.5
185.13216	0.1
187.03882	0.4
187.14818	0.3
189.16444	0.2
192.09047	0.1
197.06026	0.3
197.09511	0.1
197.13184	0.2
198.12683	0.2
199.14746	0.2
201.16353	0.3
203.06953	0.2
211.11125	0.2
213.44078	0.1
215.07037	0.2
215.17944	0.3
225.05505	0.6
225.16463	0.2
226.12253	0.3
227.11777	0.3
228.38141	0.1
229.04965	0.4
242.05757	0.1
243.06580	0.7
243.14946	0.2
247.05980	0.2
249.10658	0.2
253.15807	0.5
253.18013	0.2
254.05629	0.1
256.12012	0.2
271.05994	100.0
271.19034	4.4
271.24164	1.7
272.06339	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	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03938	2.2
55.01860	2.9
55.05510	38.0
56.96551	1.7
57.03437	25.2
57.07076	1.9
58.24594	0.8
61.70353	0.8
63.79232	0.9
65.03925	2.0
65.68465	0.7
67.05505	55.0
69.03401	0.9
69.07068	29.6
70.86528	1.7
70.86869	1.3
71.04987	13.6
73.06517	0.8
78.71745	0.7
79.05067	1.5
79.05496	25.4
80.81093	0.7
81.07057	86.5
83.04987	5.3
83.08623	19.0
85.06544	11.1
91.05483	25.6
93.07043	19.4
93.20672	0.8
95.04967	3.3
95.08606	100.0
97.06528	17.5
97.10171	5.5
98.97566	1.5
99.08110	5.3
101.05975	1.0
105.06375	1.5
105.07030	17.7
107.08595	8.7
109.06503	2.9
109.10154	12.9
111.08067	4.1
113.05930	0.9
113.09648	1.0
116.98605	1.1
117.07009	1.6
119.08583	23.4
121.10163	4.7
123.08044	4.7
123.11771	0.9
125.09595	1.7
127.07582	1.2
131.00052	1.0
131.08492	1.1
133.09114	0.9
133.10121	16.7
135.11702	9.2
137.09590	3.0
137.13251	7.9
149.13239	1.6
153.07014	1.3
155.08534	1.5
161.13254	30.8
165.07042	3.9
174.98941	0.7
177.00714	1.0
179.14322	14.4
181.10559	1.0
183.08025	2.8
189.00493	1.1
197.15315	1.9
203.02168	0.9
203.28461	0.9
211.07622	1.3
253.17996	2.5
271.06088	5.8
271.09659	5.4
271.19034	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	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33693	0.9
53.03926	2.6
55.01841	2.7
55.02075	0.8
55.03528	0.9
55.05510	40.9
56.22411	0.8
56.96560	2.0
57.03437	27.3
57.07055	1.5
65.03923	1.9
67.05504	59.4
69.03416	1.2
69.07069	33.8
69.59758	7.7
71.04987	13.1
71.08617	0.9
73.06510	1.2
79.05492	27.6
81.07056	94.7
83.04993	4.1
83.08152	1.3
83.08624	25.8
84.96032	0.9
85.02885	1.4
85.06535	9.8
86.16180	1.2
91.05481	24.5
93.07043	24.5
95.04941	3.2
95.08606	100.0
97.06544	14.8
97.10149	6.2
98.97562	2.2
99.08098	6.1
103.03965	0.9
105.06377	1.3
105.07038	19.0
107.08596	8.1
109.06499	4.3
109.10165	13.1
111.08070	4.4
113.09605	2.1
115.07553	1.1
116.98597	1.8
117.07032	0.8
119.04922	1.7
119.08582	25.3
119.09446	1.4
121.10098	5.1
123.08048	5.8
123.11671	1.3
125.09609	1.1
127.07598	1.1
133.10138	15.1
135.11681	8.9
137.09584	3.4
137.13248	5.7
141.06949	1.4
149.13237	1.9
151.03949	0.9
153.07004	4.3
155.08557	2.4
157.10120	1.1
159.08032	1.3
159.11609	1.9
161.11961	1.6
161.13258	29.6
161.51164	0.9
165.06996	11.8
168.05696	1.6
169.06404	1.1
173.01215	1.2
177.00658	1.0
179.14331	12.8
181.06476	3.2
183.08060	5.4
193.06390	2.1
197.15282	1.1
200.08238	1.0
201.16367	0.9
211.07579	6.1
221.05904	2.1
229.07442	3.6
239.07021	1.6
247.08504	3.4
253.17964	2.9
271.06021	9.3
271.09634	14.5
271.19025	62.0
272.09485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03931	2.7
55.01871	2.6
55.05513	40.6
55.07344	0.9
56.96555	1.5
57.03439	30.9
57.07057	2.1
57.37343	1.2
65.03934	1.8
67.05505	54.2
69.03413	1.2
69.07067	36.2
69.59897	7.8
71.04992	12.7
73.06556	1.1
79.05490	21.8
80.75099	0.9
81.07057	92.4
83.04967	4.5
83.08617	21.8
85.06544	7.9
91.05482	20.5
93.07044	24.7
95.04967	2.9
95.08609	100.0
97.06534	18.2
97.10169	6.9
98.21574	1.3
99.08086	5.6
105.07029	17.4
107.08598	9.6
109.06504	3.7
109.09563	1.1
109.10172	13.9
111.08073	4.4
113.09615	1.5
119.07790	1.7
119.08591	25.3
119.09429	1.5
121.10167	4.8
123.08076	4.4
127.07565	1.3
127.45290	1.1
131.08568	1.8
133.09213	1.7
133.10130	15.0
135.11693	11.3
137.09599	4.1
137.13261	8.1
149.13235	1.5
161.13266	31.7
179.14308	13.5
188.56851	0.9
197.02098	1.1
197.15417	1.4
253.17967	2.2
271.05978	4.0
271.19043	60.2
271.23984	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01859	3.3
55.05511	38.8
56.96564	1.5
57.03186	2.1
57.03440	26.2
57.07066	1.7
59.04971	1.5
63.96748	1.3
65.03925	1.3
67.05502	56.6
69.03442	1.4
69.06718	2.3
69.07063	31.0
69.36294	13.7
71.04989	11.3
73.06554	1.4
79.05055	2.2
79.05486	24.0
81.07056	88.1
83.04976	4.9
83.08617	19.6
85.02899	1.6
85.06542	10.2
89.44720	1.4
91.04953	2.3
91.05476	23.2
93.07039	23.6
95.04969	3.3
95.08604	100.0
95.85578	1.4
97.06532	16.2
97.10165	5.9
98.97572	3.8
99.08067	6.5
105.07030	20.4
107.08590	10.3
109.06493	3.5
109.10153	15.7
109.42123	1.3
111.08071	4.3
113.09663	1.7
116.98617	2.6
119.08578	29.1
121.10146	8.4
123.08052	3.9
127.07662	1.3
131.08580	3.5
133.10126	16.4
135.11699	10.6
137.09628	5.6
137.13217	6.3
141.09074	1.5
145.10165	1.3
147.11678	2.9
149.13298	2.1
159.11700	2.9
161.13260	30.5
162.72153	1.2
179.14328	10.9
179.36923	1.5
191.14291	1.6
208.44771	1.6
215.17804	1.5
249.02682	1.7
253.18013	1.7
271.06006	7.0
271.19046	53.7
271.24158	6.6
272.18668	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01872	6.4
55.05503	20.6
56.96555	7.0
57.07067	2.1
59.45597	2.2
67.05502	21.4
69.03432	5.2
69.07063	21.0
69.98635	2.3
70.06595	3.1
71.04999	16.6
71.59404	4.2
75.19940	2.2
79.05486	29.0
81.07052	58.2
83.04987	21.1
83.08619	17.2
84.71648	2.2
85.06544	8.5
91.05474	24.1
93.07040	77.1
93.66415	2.2
95.04971	22.4
95.08609	45.0
97.06533	36.8
98.97601	2.5
99.04462	26.4
100.24940	2.4
101.06008	2.6
105.07022	46.1
107.04939	4.2
107.08590	32.2
109.06512	38.3
109.10162	9.9
111.08083	11.3
113.05991	8.4
117.07009	5.7
119.04903	4.2
119.08583	28.4
121.06503	97.1
121.10139	7.0
123.04424	8.2
123.08048	8.4
123.11690	4.8
125.05981	12.9
127.07562	11.5
128.06233	3.4
129.06984	6.6
131.08566	7.9
133.06442	3.5
133.10117	25.3
135.04427	5.4
135.08043	14.0
135.11693	2.3
137.05978	2.8
137.09583	2.8
139.07526	30.3
141.05501	3.9
142.07762	5.5
143.07018	14.1
143.08562	11.8
145.06519	3.3
145.10133	10.9
147.08061	4.7
147.11671	52.0
149.09656	3.2
149.13232	4.2
151.07487	2.7
153.01822	3.6
153.07019	3.5
155.08516	3.8
156.09349	5.0
157.08781	18.5
157.09908	18.0
158.07249	2.6
159.06529	15.4
159.07744	2.8
159.11676	3.0
161.09685	3.0
161.13315	12.8
163.14851	2.9
165.06963	4.9
165.12721	12.4
171.11678	20.0
173.09665	6.1
175.09746	4.7
175.11166	30.4
181.10132	3.6
183.08101	3.7
189.12717	30.9
193.12233	33.4
199.11206	31.2
207.13802	20.4
211.13210	17.6
211.14919	3.0
217.12236	100.0
226.12332	2.5
235.13263	68.0
241.11060	3.0
252.89359	2.1
253.11504	4.8
253.14287	41.1
259.12231	4.3
271.06082	30.1
271.09329	4.8
271.12119	6.1
271.14944	4.6
271.17273	4.0
289.13275	18.7
291.98868	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.18105	0.8
55.05506	1.4
56.05033	1.5
56.96557	1.3
67.05495	1.9
69.07055	1.4
69.85048	2.1
69.85465	2.5
79.05485	3.1
81.05792	1.3
81.07046	1.6
86.82314	0.8
91.05466	2.1
93.05800	1.7
93.07019	1.3
94.06547	1.2
95.04971	0.8
95.08632	1.2
96.08134	3.6
105.07016	2.0
106.06532	1.9
107.08633	1.2
108.08119	12.7
109.10166	0.8
117.07008	1.1
119.08560	2.4
120.07998	0.9
121.10157	0.9
122.09635	2.7
129.06982	1.5
131.07292	0.8
133.10100	1.8
134.05984	2.5
135.11682	1.0
136.07614	1.8
141.06955	0.9
142.07811	1.1
143.08557	1.2
144.08112	1.5
145.10036	1.0
146.09692	1.0
148.07561	1.2
153.01904	1.7
154.06519	1.2
156.09282	1.1
157.10075	1.1
158.09630	1.4
159.08017	2.0
159.11650	1.2
165.07028	1.2
166.07765	1.4
168.08105	5.1
169.08849	4.5
170.09668	1.1
170.97701	1.0
171.09151	1.3
171.11594	1.1
172.07507	1.8
174.09151	3.1
181.10153	2.9
182.09666	2.6
183.10445	8.3
183.11839	1.7
184.07643	1.0
185.10779	2.4
186.09151	1.8
186.11531	1.9
196.07588	7.0
197.08353	11.6
198.09149	2.1
198.12784	6.6
199.08623	10.1
199.12378	2.4
200.10919	1.0
200.13074	2.3
208.11180	1.1
210.09158	2.0
210.11523	1.3
211.09917	20.9
213.10213	19.3
214.10968	5.8
215.15526	5.0
225.13809	1.9
226.12282	45.8
227.08188	1.4
227.11774	20.9
228.12569	29.2
239.11772	2.0
241.09628	2.2
241.13422	1.2
242.10548	2.9
243.14937	29.1
253.13379	7.3
254.11781	3.4
255.11298	16.3
256.12079	22.0
271.06113	13.1
271.14417	100.0
271.24271	2.9
272.14709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38376	2.0
55.05511	2.1
56.47553	1.6
56.96548	7.8
67.05486	2.7
69.07038	2.1
75.94605	2.3
77.58604	1.7
79.05468	3.6
81.07034	5.0
91.05465	5.9
92.94907	2.1
93.07024	4.5
95.08595	6.8
102.96910	5.0
105.07022	5.4
109.10141	2.7
112.98971	2.6
114.96921	4.7
116.98482	34.1
119.04955	1.9
119.08527	3.0
128.98453	16.1
131.00027	72.2
131.08556	1.8
132.97971	1.9
134.99515	8.3
135.08055	2.6
140.98453	37.8
143.00017	41.3
144.97911	2.3
145.01604	6.1
145.10126	3.4
145.31068	1.7
146.99498	14.4
147.11665	2.1
149.01085	14.4
152.97020	2.2
152.98343	1.9
153.01990	7.2
153.99219	7.5
154.01634	2.5
154.99985	14.4
157.01578	15.2
158.99522	16.9
159.08064	7.3
160.97475	3.3
161.01088	30.8
161.98239	2.4
162.99020	2.6
165.00627	4.6
167.00035	11.8
167.03653	4.9
169.01634	8.6
170.99498	12.2
171.03212	4.6
173.01094	7.1
174.99013	73.5
175.02586	14.0
177.00671	8.7
178.99994	3.9
181.01575	6.6
181.10097	2.3
183.03145	3.7
185.01080	37.6
186.99016	5.6
187.02644	3.8
189.00571	100.0
189.04260	2.9
191.02122	3.1
197.01062	2.3
198.00594	6.5
198.04324	1.9
199.02678	16.4
201.00589	5.1
201.04199	2.9
203.02127	61.2
211.02658	3.7
212.02058	4.0
213.04196	3.5
215.02194	5.2
217.03687	17.2
225.04166	2.8
226.03766	7.4
229.03674	7.5
239.05841	3.7
241.07391	18.8
241.11148	4.1
253.11076	6.0
259.12149	6.8
267.11151	1.9
271.05905	18.6
271.08401	79.5
271.12061	11.5
271.16983	4.2
271.20297	4.3
271.24176	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	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62992	0.9
53.03959	0.9
55.01872	2.4
55.05496	2.0
56.96560	1.9
57.03438	4.3
65.03933	2.0
67.05491	1.8
69.07038	0.9
70.06582	1.9
70.90825	2.2
72.08148	2.6
73.02504	1.7
73.02917	32.1
75.04488	3.3
81.04532	1.2
84.08834	0.7
85.02851	0.8
86.09746	0.8
88.74164	0.9
89.03955	1.0
91.03983	1.0
91.05479	2.9
93.03407	1.7
93.07027	1.0
95.04961	2.5
97.70161	0.8
107.04946	1.7
108.02100	1.2
110.03676	6.3
111.04470	5.0
116.07090	1.6
119.04913	2.1
121.06565	1.0
122.03640	0.9
123.04389	2.4
125.05991	41.6
126.06269	1.0
135.08080	0.9
137.05989	3.7
141.05515	4.1
147.04398	0.8
147.06525	4.4
149.05954	2.4
151.03908	100.0
151.05000	7.1
151.07552	3.8
152.04276	1.4
161.01262	0.9
163.07545	2.9
175.28972	0.9
179.07025	21.4
197.08110	21.2
199.09653	0.9
209.07343	0.9
211.07678	1.4
225.07585	3.2
237.02870	0.9
249.05736	0.9
253.10748	3.4
271.06161	3.2
271.09341	1.3
271.11832	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	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01871	2.7
55.05502	0.8
56.96565	1.9
57.03439	3.9
65.03949	2.2
67.01832	0.4
67.05500	2.0
69.03425	1.0
69.07058	0.5
70.06587	1.8
71.04982	0.6
71.59006	0.6
71.59374	0.5
72.08162	0.7
73.02917	30.6
75.04472	2.8
79.05478	0.9
81.03412	0.6
81.07034	0.9
84.04488	0.4
85.02904	0.9
86.09698	0.9
91.03951	1.7
91.05469	3.2
93.03391	0.6
93.07057	0.5
95.04973	2.9
95.08606	0.5
97.02882	0.5
97.06535	0.5
98.97547	0.6
103.05453	0.9
105.04545	0.4
105.07019	0.8
107.04948	1.5
108.02076	1.1
109.02884	1.1
109.10160	0.5
110.03676	5.2
110.07155	0.6
111.04440	7.8
116.07108	0.8
116.98594	0.7
119.04968	2.3
121.06482	1.1
121.10147	0.4
122.03599	0.7
123.04412	1.6
123.08048	0.5
125.05990	37.1
134.99623	0.6
135.04382	0.4
135.08057	0.9
137.05971	5.9
141.05467	4.2
146.99568	0.5
147.04414	0.9
147.06491	4.0
149.05983	3.0
151.03903	100.0
151.04980	6.1
151.07460	4.7
152.04248	1.2
153.01877	0.8
155.08499	0.4
156.58072	0.4
161.01212	0.4
163.03815	0.5
163.07538	3.2
165.07002	0.6
167.07047	1.2
177.00717	0.4
179.07028	20.0
182.29906	0.3
189.00737	0.4
196.05339	0.4
197.06239	1.0
197.08087	18.3
198.08461	0.5
199.09636	0.7
211.07579	1.2
219.01743	0.5
225.07570	3.4
235.13290	0.7
253.10670	3.8
271.06024	8.9
271.11801	19.8
271.20615	0.5
271.26260	0.4
272.06198	0.5
274.86169	0.4
287.08032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05500	1.0
56.96559	3.3
57.03441	4.6
67.05489	1.9
69.03430	2.1
69.07067	1.0
69.71967	4.2
70.06591	1.9
71.04992	1.3
71.08610	0.6
72.08157	1.2
73.02911	1.4
73.95834	0.6
75.04483	1.4
79.05492	1.6
81.03402	1.7
81.04538	0.6
81.07046	2.4
83.04990	0.6
84.04498	1.1
84.08143	1.3
85.02908	2.2
85.04025	0.9
85.06553	0.7
86.09705	1.6
87.04444	0.9
87.49439	0.5
89.62239	0.6
91.05481	3.8
93.07035	0.5
94.04188	0.6
95.04949	0.9
95.08583	1.3
95.41275	0.5
97.02891	2.2
97.06509	0.6
98.97591	2.0
99.08060	1.0
102.21084	0.5
103.43752	0.5
105.07038	2.4
107.04971	3.4
107.08561	1.1
109.02865	0.8
109.06480	0.7
115.05475	0.8
116.98600	1.7
117.06973	0.8
119.01894	1.3
119.04933	2.2
119.08582	1.2
121.02864	1.7
121.06497	1.4
122.03663	1.6
123.04408	1.5
125.05964	1.0
125.09592	0.7
127.03902	1.0
128.98608	0.7
129.07010	1.1
129.10210	1.3
133.06523	1.3
134.99661	1.8
135.04350	1.0
135.08051	1.1
137.05978	100.0
138.06311	0.6
142.77754	0.6
147.04407	0.7
147.08005	0.8
147.11658	0.6
149.02313	5.7
149.05998	1.3
149.09647	0.7
151.07509	1.1
153.01805	2.1
153.07001	0.9
161.01231	1.0
161.05981	1.7
163.07597	1.4
165.06970	1.3
167.07043	2.6
169.06419	1.0
175.07553	4.2
177.00777	0.8
179.07033	13.0
179.08543	1.0
183.07986	1.0
193.08633	1.0
195.06445	0.8
196.05249	0.9
197.06026	1.2
201.00787	0.8
203.04080	1.0
211.05144	0.9
211.07552	2.4
212.10336	1.2
213.05466	0.7
213.11198	0.9
215.07047	6.3
217.12198	0.7
219.01831	0.8
227.02473	0.7
235.09709	0.8
239.07080	1.2
240.07718	1.5
241.03889	0.9
243.06377	2.9
245.03516	0.6
253.10704	1.6
254.11537	0.8
256.07242	1.5
259.06561	1.2
267.05316	0.8
271.06061	15.3
271.09683	6.2
271.16791	0.9
272.09821	0.6
287.08014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05499	0.2
56.96561	0.1
57.07063	0.1
65.03927	0.1
65.58588	0.1
67.01862	1.7
67.05502	0.3
68.99787	1.3
69.03424	0.2
69.07047	0.2
69.55877	0.6
69.56306	0.5
79.05482	0.2
81.03417	0.1
81.07037	0.5
83.04968	0.2
91.05471	2.1
93.07036	0.5
95.04967	0.3
95.08595	0.4
97.06538	0.3
98.97561	0.1
105.07022	0.4
107.04935	0.2
107.08591	0.2
109.06525	0.3
109.10121	0.2
109.15690	0.1
111.00780	0.2
111.08099	0.2
119.04938	5.8
119.08573	0.2
121.02863	1.9
121.06502	0.6
129.01820	0.4
131.04906	0.1
133.10031	0.2
139.07570	0.1
141.06947	0.4
143.07085	0.1
145.02829	2.0
147.11658	0.4
149.05963	0.5
153.01819	12.1
157.06456	0.2
161.13239	0.1
163.03899	1.1
165.07013	0.5
169.06506	0.3
171.02890	2.3
171.11728	0.1
175.11156	0.2
177.05467	0.6
183.07997	0.3
187.03897	0.4
189.12808	0.2
197.05988	0.5
199.11066	0.2
203.07053	0.4
207.13889	0.2
211.07561	0.2
217.12244	0.8
225.05440	0.7
229.04924	0.6
235.13335	0.4
239.06781	0.1
243.06532	0.7
247.06090	0.2
253.05135	0.2
253.14311	0.3
255.89444	0.2
271.05994	100.0
272.06363	1.8
289.13123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05495	0.8
56.96552	0.3
57.03421	0.5
57.07053	0.2
59.19146	0.3
63.29564	0.2
65.10729	0.2
67.01864	1.5
67.05484	1.0
68.99784	1.0
69.07055	0.7
69.79352	1.5
70.59841	0.2
79.05492	0.7
81.07046	1.7
83.08604	0.4
91.05476	2.1
93.07021	0.5
95.04979	0.3
95.08602	1.5
98.21436	0.4
103.82047	0.2
105.07019	0.4
107.08604	0.3
109.10176	0.2
111.00776	0.3
111.08044	0.3
117.07013	0.3
119.04951	5.6
119.08575	0.6
121.02854	1.5
121.10155	0.2
126.41389	0.2
129.01830	0.2
131.08563	0.4
135.11702	0.4
141.06972	0.3
145.02806	1.4
145.10036	0.3
153.01823	10.4
159.08060	0.7
159.11665	0.4
161.13243	0.4
163.03934	1.1
171.02853	1.5
187.03877	0.5
197.06010	0.4
202.06421	0.3
203.07022	0.3
225.05499	0.3
229.05002	0.6
243.06541	0.8
247.05980	0.2
253.05093	0.4
271.06000	100.0
271.24170	0.7
272.06241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0596
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.82118	0.1
59.00302	0.1
67.01864	1.7
67.19971	0.1
68.99787	1.2
70.11651	0.3
70.12063	0.2
81.03430	0.1
81.07035	0.1
91.05482	2.0
93.07059	0.1
95.08572	0.1
98.21410	0.1
111.00808	0.2
119.04947	5.3
120.05277	0.1
121.02862	1.7
125.02328	0.1
129.01822	0.3
129.07066	0.1
131.04932	0.2
135.03351	0.1
141.06970	0.3
145.02840	1.5
152.95618	0.1
153.01830	10.3
155.04942	0.1
155.08540	0.1
157.06432	0.2
163.03905	1.0
165.07005	0.2
169.06476	0.2
171.02873	1.8
173.05945	0.2
184.27893	0.1
187.03922	0.4
197.06039	0.2
202.06447	0.1
203.07054	0.3
211.03883	0.1
211.07578	0.1
225.05458	0.6
229.04933	0.5
243.06517	0.9
247.06143	0.2
253.05090	0.2
271.06006	100.0
272.06339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05491	0.9
55.59238	0.2
56.96547	0.9
57.03412	0.4
67.01871	1.4
67.05511	1.4
68.99786	1.2
69.03408	0.6
69.07042	0.9
71.04989	0.5
71.59647	0.4
79.05482	1.6
81.03387	0.3
81.07054	2.0
83.04978	0.6
83.08601	0.4
85.02885	0.5
85.06528	0.4
91.05473	3.4
93.07049	2.1
94.37048	0.2
95.04971	0.9
95.08604	2.2
97.02884	0.3
97.06541	1.2
98.97559	1.0
99.04419	0.7
105.07018	1.8
107.04914	0.4
107.08568	1.0
109.06506	0.9
109.10150	0.7
111.08097	0.6
115.05453	0.5
116.98600	1.1
119.04944	6.1
119.08594	1.2
121.02859	1.9
121.06491	2.7
121.10112	0.7
123.04330	0.2
125.06011	0.4
127.07550	0.4
129.06982	0.5
131.08540	0.5
133.10112	1.0
134.99634	0.7
135.04369	0.3
135.08044	0.4
137.05962	0.8
139.07536	0.8
141.06953	1.0
142.07800	0.3
143.08533	0.6
145.02809	1.9
145.10147	0.6
147.04364	0.3
147.08110	0.3
147.11670	1.1
149.05943	0.4
152.06218	0.3
153.01819	9.7
153.06985	2.6
154.07747	0.3
155.08554	1.6
157.06453	0.3
157.08585	0.4
157.10123	0.7
159.06578	0.6
159.07889	0.2
161.13147	0.5
163.03888	0.5
165.06996	4.6
165.12805	0.3
168.05669	0.7
169.06491	0.8
171.02887	2.3
171.08078	0.2
171.11642	0.6
173.09668	0.3
173.13286	0.3
175.11166	0.5
176.59377	0.2
177.00708	0.5
181.06415	1.3
182.07216	0.5
183.08031	2.9
185.05954	0.5
187.03879	0.5
189.12735	0.9
193.06456	0.7
193.12227	1.0
196.05211	0.6
197.05933	0.7
198.06638	0.3
199.11220	0.8
203.07089	0.4
207.13730	0.3
210.06866	0.6
211.07532	3.2
211.13202	0.6
212.08266	0.3
213.05469	0.4
214.62108	0.3
217.12230	2.3
218.99956	0.3
221.05968	0.8
225.05486	0.6
228.07884	0.4
229.04822	0.7
235.13292	1.7
239.07053	0.9
242.09521	0.4
243.06464	0.7
243.10194	0.4
245.85153	0.3
253.04910	0.3
253.14423	0.9
271.05997	100.0
271.09393	6.0
272.06348	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	CHEBI:69139
Peak:m/z	Relative Intensity
55.01870	3.6
55.05513	25.7
55.24662	1.7
56.96572	15.1
57.03441	25.7
57.07069	9.5
65.03918	2.8
67.05505	76.2
69.03443	4.2
69.06712	2.9
69.07066	34.7
71.04977	8.7
71.08615	3.1
73.02902	2.7
79.05492	47.7
81.03413	2.6
81.07056	100.0
82.07368	2.1
83.04972	11.1
83.08617	19.9
84.96043	3.3
85.06515	7.2
87.04518	2.2
91.05479	40.2
93.07041	73.4
94.07417	2.1
95.04971	9.3
95.08606	47.6
97.06554	16.1
97.10160	5.8
98.97578	21.0
99.08060	3.5
105.07030	32.6
107.08592	44.6
109.06509	6.0
109.10119	14.4
111.08068	9.0
113.05969	2.0
116.98627	16.8
117.07011	16.5
119.08585	20.8
121.06480	2.3
121.10144	24.4
123.04453	1.9
123.11676	7.6
128.06189	3.3
129.07030	4.9
130.07755	3.3
131.00046	2.1
131.08577	29.4
133.10126	21.1
134.99654	14.8
135.08029	4.3
135.11684	14.4
136.06166	3.3
139.11168	2.5
141.06992	2.9
142.07744	6.8
143.08565	22.5
144.09407	2.3
145.10133	26.6
145.47311	2.0
146.99670	3.8
147.11723	10.7
149.01202	7.4
149.13261	44.1
155.08511	5.2
156.09328	3.2
157.10123	34.3
158.10736	3.3
158.99634	6.4
159.11703	34.3
160.11974	2.7
161.13254	8.0
167.08588	2.4
170.10925	3.4
171.11673	21.5
173.01158	4.4
173.13251	13.2
175.14845	6.2
177.00708	9.2
177.12770	8.8
178.03767	2.4
178.96883	2.2
179.08632	2.0
183.11705	2.2
184.12419	2.9
185.09587	2.3
185.13255	20.5
187.14799	14.1
191.02275	8.0
191.14296	2.2
192.02678	2.3
195.13809	8.0
197.13219	3.1
199.14799	22.4
200.15517	2.2
201.00812	2.9
201.16386	2.8
202.98550	3.5
211.11169	1.9
211.14774	3.8
213.14662	2.0
213.16417	22.8
213.64299	2.5
219.01761	3.4
227.17838	8.3
237.09207	2.1
241.19440	3.8
244.99728	3.1
251.12608	2.0
269.12653	2.1
269.17453	27.7
269.22617	96.8
269.26782	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	269.1748
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
53.03926	2.6
54.34773	0.9
55.01849	2.9
55.05512	21.1
56.96574	5.5
57.03436	27.7
57.07075	4.3
65.03919	1.8
67.05503	75.8
69.03410	1.5
69.07066	27.4
69.61845	7.3
71.04986	5.4
71.08626	2.1
79.05490	43.9
81.03419	2.2
81.07054	100.0
83.04977	9.4
83.08617	19.1
85.06548	7.3
91.05477	26.3
93.07040	67.9
93.07903	1.2
95.04969	9.3
95.08602	25.9
97.06529	17.8
97.10155	3.0
98.21504	1.6
98.97576	2.0
99.04458	1.2
99.08105	4.7
105.04490	1.2
105.07029	12.5
107.04936	1.2
107.08595	33.2
109.06495	3.8
109.10148	5.5
111.08079	8.9
112.99038	0.9
113.05965	1.9
113.09639	1.5
116.98605	1.7
117.07001	10.3
119.08539	4.6
119.93771	0.8
121.06480	2.3
121.10137	18.0
123.08052	1.6
123.11702	5.2
129.06990	1.5
131.08559	13.6
133.10132	18.9
134.99667	1.6
135.08034	1.1
135.11687	12.2
141.06853	1.0
143.08562	2.0
145.10106	3.1
146.99629	1.0
147.11620	3.1
149.09621	1.1
149.13257	37.7
151.11153	2.3
157.10136	3.0
158.99695	1.0
159.11688	24.4
161.13208	2.2
167.14293	2.3
171.11638	1.9
173.09589	1.0
173.13246	2.0
175.14789	1.1
177.00621	1.5
177.12724	10.4
179.14273	2.0
181.06519	1.3
187.14864	1.9
195.13770	11.9
199.14845	1.1
213.14738	1.3
213.16499	1.4
214.28328	0.9
215.14056	1.1
223.02834	2.3
233.15276	1.5
235.02650	1.0
236.03801	1.0
238.56194	1.0
241.03796	1.8
258.07297	2.5
269.08163	2.0
269.11230	1.6
269.17438	49.4
269.22546	6.3
270.17834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	3.5
55.01859	4.1
55.05269	1.6
55.05514	22.7
57.03437	32.9
57.07073	2.0
61.58652	1.1
65.03920	2.3
67.05504	81.2
69.03458	1.3
69.06715	2.2
69.07068	28.1
69.33704	12.4
71.04991	7.1
79.05493	50.6
81.03387	2.2
81.07056	100.0
83.04978	8.8
83.08622	18.5
85.06534	5.2
91.05480	23.2
93.07042	69.7
94.73212	1.1
95.04971	7.5
95.08604	26.9
97.06528	15.3
97.10131	2.4
98.21494	2.2
99.08082	3.9
105.07033	10.3
107.08596	33.0
109.06554	2.5
109.10141	4.9
111.08077	10.1
113.97261	1.4
117.07018	10.5
119.08600	3.6
121.06467	2.2
121.10140	20.1
123.11712	4.7
127.07520	1.3
131.08583	12.9
133.10130	16.5
135.08006	2.0
135.11710	11.1
139.11217	2.4
140.72620	1.1
147.11734	1.4
149.09633	1.6
149.13255	42.5
151.11180	2.7
159.11694	23.6
161.13249	1.4
177.12744	11.9
195.13797	12.6
213.14871	2.0
242.15910	1.3
244.74200	1.4
251.46606	1.4
269.07996	2.3
269.17490	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01854	3.3
55.05266	1.4
55.05511	21.5
57.03437	30.8
57.07061	3.6
57.28288	1.1
63.52201	1.0
65.03912	1.8
67.05503	77.4
69.07069	27.8
69.79103	1.9
69.79514	3.9
71.05000	5.2
71.08619	1.2
73.02940	1.0
79.05491	47.9
81.03400	1.8
81.07056	100.0
83.04984	8.8
83.08611	17.3
83.63560	1.0
85.06565	5.4
91.05474	25.0
93.07043	64.7
95.04982	8.3
95.08054	1.7
95.08607	22.1
97.06528	14.5
97.10181	2.0
99.08072	3.3
105.07025	11.6
107.08592	31.6
109.06500	3.4
109.10181	2.6
111.08085	9.7
117.07008	9.1
119.08569	3.5
121.06470	1.7
121.10145	11.4
123.11714	3.7
131.08554	10.8
133.10127	11.4
135.08005	2.1
135.11687	11.9
139.07591	1.1
139.11201	1.8
147.11659	1.3
149.13252	36.9
159.11697	22.4
167.14320	1.5
177.12747	9.8
183.26697	1.2
195.13777	12.1
213.14828	1.6
269.08084	3.8
269.14514	2.0
269.17456	41.8
270.17935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
54.24846	1.5
55.01867	3.3
55.05510	23.9
56.96573	2.3
57.03436	35.2
57.07051	4.4
65.03924	2.3
67.05504	81.3
69.03409	2.3
69.06715	2.2
69.07065	32.3
69.66484	9.3
71.04975	5.5
71.08621	2.0
73.02870	1.7
79.05490	48.8
81.03404	2.3
81.07055	100.0
83.04984	10.6
83.08619	21.1
85.06525	6.2
91.05476	29.5
93.07042	78.5
95.04980	8.4
95.08603	32.3
95.09216	1.8
97.06525	16.9
97.10159	3.4
99.08058	4.6
104.99262	3.1
105.07018	12.6
107.08592	32.7
109.06495	3.2
109.10146	5.1
111.08083	8.4
113.09668	2.3
113.62381	1.6
115.05358	1.5
117.07019	13.0
119.08588	4.5
121.06458	2.7
121.10152	15.7
123.08009	2.7
123.11691	3.5
131.08574	13.3
131.68390	1.4
133.10138	14.3
135.08038	2.7
135.11710	13.5
136.06213	1.7
137.06549	1.7
145.10173	1.5
147.11656	2.9
149.13264	40.6
151.11089	2.9
157.10100	2.4
159.11700	23.4
177.12753	10.9
181.10091	1.6
195.13817	14.1
199.14813	1.8
213.12756	1.5
251.20081	2.5
269.15359	2.3
269.17426	46.3
269.22018	2.0
269.24875	1.5
270.96100	1.5
292.05634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.35752	1.2
53.03929	4.2
54.90444	0.9
55.01857	2.9
55.05265	1.8
55.05510	26.0
56.96550	1.7
57.03435	34.4
57.07071	5.4
59.05002	1.4
65.03922	2.2
67.05502	88.0
69.03413	1.5
69.07068	28.5
70.46175	3.4
70.46529	1.9
71.04993	8.2
71.08604	2.1
79.05492	51.6
81.03418	2.4
81.07054	100.0
83.04977	11.1
83.08624	21.4
85.06546	6.5
91.05475	29.7
91.18246	1.1
93.07041	69.3
94.27195	1.2
95.04958	8.0
95.08605	26.8
97.06528	19.2
97.10167	3.1
99.08086	5.5
101.84847	1.2
104.99245	1.1
105.04484	1.7
105.07033	14.2
107.08591	32.5
109.06500	3.3
109.10132	5.4
111.08075	9.3
113.05977	1.2
113.09627	1.3
116.98586	1.3
117.07015	10.9
119.08562	4.3
121.06485	1.9
121.09338	1.2
121.10155	20.3
123.08058	1.1
123.11682	3.5
125.09597	1.5
131.08562	12.2
133.10127	14.3
135.08000	2.8
135.11678	13.0
136.06161	1.6
139.11208	2.3
144.76508	1.1
147.11711	2.3
149.09659	2.1
149.13249	43.4
151.11165	1.7
159.11681	26.5
161.13234	3.0
167.14256	1.5
177.12755	11.0
179.14330	1.6
195.13800	14.0
213.14761	1.7
258.26404	1.0
269.17441	51.6
269.22061	2.5
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
53.03943	4.0
55.01874	4.7
55.05513	21.3
56.96549	2.4
57.03437	33.7
57.07062	6.4
65.03935	3.3
67.05505	79.6
69.07069	28.1
70.14552	9.2
71.04980	9.6
71.08625	3.6
73.02928	2.0
76.53810	1.9
79.05067	2.8
79.05492	43.0
81.07058	100.0
83.04987	11.3
83.08614	18.5
85.06542	5.4
91.05478	28.7
93.07047	78.4
93.07626	4.7
95.04955	9.8
95.08601	24.2
97.06564	14.9
97.10164	2.7
98.97605	2.9
99.08099	4.5
100.78168	1.8
104.99253	2.1
105.07011	12.4
107.08588	37.6
109.06520	5.0
109.10143	6.6
111.08079	9.8
117.07027	9.9
119.08576	3.6
121.10148	18.6
123.11687	4.6
131.08537	10.6
133.10126	13.7
135.08072	3.8
135.11699	12.1
137.05933	4.6
139.11151	2.2
149.13263	41.3
151.11180	3.4
159.11667	21.8
161.13222	3.7
166.90466	1.9
177.12796	9.8
184.56482	2.0
195.13855	15.9
236.36844	2.1
269.17441	52.7
269.20142	3.4
270.17847	2.9
274.51001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02390	1.9
52.95064	1.8
52.98050	1.6
53.03936	3.6
55.01877	3.9
55.05512	21.6
56.96558	5.0
57.03436	30.3
57.07067	7.0
65.03934	2.8
67.05502	76.1
69.03423	3.2
69.07065	32.1
69.33594	18.3
71.04984	6.6
71.08621	3.4
73.02895	1.6
73.80151	1.6
79.05057	3.7
79.05490	48.5
81.00489	1.7
81.07054	100.0
83.04975	11.4
83.08617	17.6
85.06544	5.0
91.05473	30.9
93.07040	66.0
95.04964	8.6
95.08030	3.4
95.08597	30.7
97.06524	20.2
97.10154	1.8
98.20774	3.6
99.08080	5.0
105.07032	11.5
107.08593	40.0
109.06524	5.3
109.10127	5.0
111.08079	7.2
115.05482	2.0
116.51173	1.8
117.07022	13.0
119.08588	5.4
121.06535	3.3
121.10132	22.1
122.76514	2.0
123.11728	3.9
125.09664	2.4
129.07047	2.9
131.08557	14.3
133.10132	16.1
135.11697	13.6
136.06209	3.1
139.11307	1.7
143.08551	4.5
145.10121	2.5
147.11649	2.4
149.09695	1.6
149.13263	43.8
151.11223	2.4
157.10133	2.9
159.11676	21.5
161.13216	2.3
169.10201	1.8
171.11662	2.5
177.12773	11.5
185.13318	2.7
195.13821	14.9
199.11256	1.8
199.14784	1.8
211.10907	1.8
213.14848	2.1
221.38326	1.7
227.14154	2.2
269.17349	42.1
269.22568	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	29.6
56.96564	8.6
57.03442	36.9
57.07068	10.2
67.05501	73.7
69.07061	36.7
69.72530	16.1
69.72939	5.2
71.04993	8.2
79.05489	48.5
81.06580	6.3
81.07058	100.0
83.04994	10.9
83.08631	21.2
85.06560	4.0
86.50026	3.3
91.05466	29.2
93.07045	76.9
95.04969	11.3
95.08592	40.3
97.06526	23.9
97.10158	6.2
99.08103	3.6
104.99271	9.8
105.07037	11.4
107.08578	38.5
109.06506	3.9
109.10151	9.4
111.08109	7.7
112.90415	3.6
116.65224	3.3
117.07011	14.3
119.08573	10.6
121.09341	4.1
121.10098	20.5
123.08046	3.5
123.11700	6.0
131.08588	13.3
133.10129	13.2
135.11687	12.6
136.06157	3.7
143.08556	3.8
145.10150	6.6
149.13284	39.4
152.05812	3.5
153.09236	3.9
157.10147	4.4
159.11710	22.0
166.33704	3.4
171.11746	4.0
177.12738	8.2
182.11034	3.8
185.13191	4.6
195.13814	10.7
251.20210	4.2
269.17105	29.4
269.19568	4.7
269.21729	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0879
Annotation	Allopurinol riboside
Peak:m/z	Relative Intensity
52.63382	0.7
55.05514	1.1
56.05029	0.8
56.96567	7.2
57.03416	0.7
57.07050	0.7
60.04528	7.8
61.02933	0.8
69.03439	0.9
69.07063	1.5
70.06590	1.2
71.05012	0.7
71.59286	0.8
73.02919	1.0
81.07030	1.3
81.10981	0.6
82.25294	0.8
83.06104	5.6
84.08110	1.7
86.09708	2.2
91.05479	1.6
93.04546	3.5
94.04072	1.0
95.06101	1.3
95.08585	0.8
98.97602	1.3
106.06561	0.8
107.08592	0.7
110.03516	1.6
110.07168	47.4
119.03572	1.7
119.04949	2.1
121.10204	0.7
123.04443	2.5
136.06190	11.5
136.07574	7.8
137.04590	100.0
137.06581	8.5
138.06638	1.1
147.04428	1.7
155.99695	2.7
156.07675	6.6
165.05449	4.8
172.95244	1.3
174.00757	6.0
178.08765	0.7
178.13367	0.9
182.08122	7.5
190.96257	0.9
192.01833	1.7
220.56136	0.7
223.10854	2.2
223.15544	2.3
236.24033	0.7
251.15019	3.9
269.08304	1.4
269.11224	2.2
269.16132	8.7
269.24869	0.7
287.09180	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01869	6.5
55.05256	2.9
55.05509	37.5
56.96548	2.0
57.03429	20.4
57.07047	2.3
59.04966	2.0
63.40803	1.7
65.03912	2.6
65.98273	2.0
67.05506	28.2
69.03429	64.5
69.07069	27.4
71.04989	17.2
71.60101	1.8
73.02931	2.1
79.05494	17.8
81.03414	48.0
81.07049	35.3
82.04192	21.2
83.04979	51.1
83.08619	16.2
85.02903	19.1
85.06541	6.6
91.05482	16.7
93.07037	33.2
95.04393	2.7
95.04935	12.5
95.08607	42.0
96.79763	1.7
97.02879	10.2
97.06541	14.6
97.10121	1.8
98.97588	3.8
99.04453	3.6
99.08088	6.2
103.05447	1.8
105.07011	6.3
107.04932	5.9
107.08578	8.1
109.02817	2.4
109.06493	6.5
109.10186	2.5
111.04432	12.4
111.08076	100.0
113.09628	9.3
116.98603	3.2
117.07012	7.4
119.08555	5.2
121.02879	11.0
121.06496	3.8
121.10146	4.1
121.25515	2.1
123.08056	16.2
123.11662	2.4
125.05972	2.4
127.03815	2.5
127.07552	8.9
131.08583	3.8
133.06468	2.5
133.10182	2.4
135.08043	15.0
136.06165	2.5
139.07532	69.6
140.49052	1.7
140.50325	1.7
141.09097	75.1
145.10138	2.4
145.31882	2.3
147.08061	3.9
147.11655	2.0
149.13318	2.0
151.07550	24.1
157.10155	2.2
157.58711	1.8
159.11684	1.9
163.11078	2.3
173.09641	2.3
174.05643	1.7
186.06535	1.9
191.10667	6.2
209.11707	41.4
209.13602	2.6
215.94859	2.2
235.55275	2.1
243.59027	3.9
269.13828	28.5
269.19040	1.9
269.22565	5.6
284.24686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01856	0.3
57.03432	0.4
57.59036	0.2
61.02912	0.2
62.86233	0.1
69.03431	0.2
71.58215	0.2
73.02888	0.3
85.02901	0.3
88.06815	0.2
94.04056	0.5
108.21588	0.2
117.73093	0.2
119.03526	0.9
120.31599	0.1
136.06184	100.0
137.04573	0.7
211.56316	0.1
244.78877	0.1
259.85315	0.1
268.10406	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94806	0.4
53.03926	0.7
54.33571	0.5
55.05509	7.1
56.96568	2.5
57.03430	1.6
57.07071	3.3
58.06597	5.6
67.05498	16.2
69.07062	5.6
71.08618	0.5
71.10938	0.4
72.08116	0.9
77.04255	0.6
79.05491	7.7
81.03407	1.5
81.07051	14.1
82.06575	1.2
82.90976	0.5
83.04964	0.6
83.08604	1.8
84.08150	1.0
85.02866	0.6
85.06534	0.9
85.91154	0.6
89.33253	0.5
91.05428	2.3
93.07037	7.3
95.04965	1.2
95.08604	8.9
96.08099	0.7
97.10202	0.8
98.09687	2.7
98.97585	1.3
105.07031	0.9
107.04953	1.0
107.08579	5.4
109.10140	3.7
116.98602	1.4
117.07026	0.7
121.10124	5.1
123.11704	1.3
124.11211	1.5
131.08536	0.5
133.10126	0.6
134.99628	0.8
135.11656	2.2
136.06172	10.6
137.06570	0.7
142.07506	0.5
143.08571	0.5
146.99562	0.5
149.13234	0.9
152.14320	0.5
156.13905	0.5
156.82840	0.5
159.11702	1.1
163.14816	0.6
171.11652	0.5
177.16292	0.7
184.13464	0.6
204.42532	0.6
250.25288	100.0
251.25641	2.1
268.16013	1.0
268.26349	9.6
269.08344	0.5
269.22549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.06215	0.2
53.49594	0.1
55.01868	0.3
57.03430	0.5
63.04042	0.1
69.03422	0.2
70.70884	0.4
71.01361	0.2
73.02905	0.2
85.02922	0.3
85.50141	0.1
94.04052	0.5
115.03959	0.2
118.95953	0.1
119.03554	0.7
119.89742	0.1
120.00577	0.1
133.04962	0.3
136.06184	100.0
137.04585	0.4
137.06586	0.2
153.58800	0.2
168.36502	0.1
208.99142	0.2
210.22745	0.1
268.10391	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	268.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05503	0.3
56.96553	0.9
57.03423	0.7
59.03189	0.2
61.01136	0.3
61.02904	0.3
67.05499	0.4
69.03423	0.8
70.06237	0.2
70.06585	0.9
71.59885	0.5
73.02914	0.6
75.02668	0.3
77.04261	0.6
84.04501	0.3
84.08133	0.5
85.02892	1.4
86.09700	0.3
87.04429	0.4
91.05795	0.6
93.03718	0.4
94.04024	0.4
94.06550	0.7
95.06873	0.4
95.08598	0.3
95.65975	0.2
97.02870	0.4
98.97575	0.8
106.06547	5.7
109.02886	0.4
110.07140	0.3
111.04404	0.3
116.98597	0.7
119.03557	0.5
122.06031	0.4
122.07098	0.3
127.03973	0.4
132.04515	0.3
134.99608	0.3
136.06177	100.0
137.04559	1.2
137.06508	0.3
138.05437	0.4
147.71368	0.3
148.07573	0.3
150.05478	2.7
151.05841	5.6
154.04866	0.3
162.05479	0.4
168.06479	0.3
172.95215	0.4
177.00734	0.3
222.07651	0.6
224.90977	0.3
245.22968	0.6
268.10205	4.6
268.16544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03945	6.2
55.01857	4.2
55.05510	22.7
56.96553	3.2
57.03437	40.3
57.07053	2.5
65.03934	3.3
65.50939	1.2
67.05502	51.3
69.03417	5.2
69.07071	13.2
71.04978	4.9
79.05489	50.8
81.03417	100.0
81.07059	48.2
83.04980	29.5
83.08624	17.8
85.02888	2.0
85.06563	3.2
91.05479	68.6
93.07043	31.0
95.04965	35.1
95.08608	21.8
97.02888	4.1
97.06532	7.0
97.10155	2.5
98.97569	2.2
99.04457	1.4
99.08103	3.2
101.06026	1.7
103.05444	1.9
105.07028	48.4
107.04951	14.9
107.08600	11.5
109.06524	9.1
109.10152	6.4
111.04425	3.7
111.08090	8.7
111.57166	1.4
113.05979	1.6
115.05448	3.1
116.98611	2.4
117.06992	4.8
119.04994	1.6
119.07789	2.2
119.08581	30.2
121.06479	2.1
121.10136	11.3
123.08050	5.8
123.11720	3.0
128.06209	2.0
129.05533	1.4
129.07013	16.4
131.07678	2.1
131.08569	18.6
133.06480	4.5
133.10130	22.8
135.08054	2.0
135.11711	1.7
136.06241	6.9
137.05983	1.4
137.09610	2.5
139.07631	1.8
142.07767	6.4
143.08560	3.9
145.10075	8.8
147.08043	4.6
147.11684	19.7
149.09583	6.4
151.07449	1.4
155.08539	1.6
157.10130	24.3
159.11771	2.8
161.09642	2.4
161.13239	4.4
163.11180	2.9
165.12730	2.9
171.11613	2.4
173.13185	2.8
175.11169	17.1
175.14804	2.1
185.13322	5.0
193.12224	21.2
197.13226	1.5
203.14290	3.2
211.13223	2.4
221.15318	2.7
231.13817	3.0
237.14932	3.5
245.38467	1.3
249.14825	4.9
267.15887	54.9
267.21027	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Curvularol
Peak:m/z	Relative Intensity
52.04718	1.8
53.03941	6.2
55.01864	6.4
55.05513	34.3
56.96560	5.2
57.03437	38.8
60.96299	1.4
65.03938	5.0
67.05505	81.7
69.03426	5.9
69.07069	20.0
70.93772	2.8
70.94132	3.6
71.04992	7.8
71.20824	1.9
79.05495	76.9
81.03419	34.3
81.07058	69.0
83.04980	54.6
83.08619	11.8
85.06547	4.4
91.05482	100.0
93.07043	52.2
95.04969	29.8
95.08611	29.9
97.02874	2.7
97.06527	6.6
97.10178	3.8
98.21435	1.6
98.97567	3.0
99.08082	4.4
103.05443	1.8
105.04514	2.0
105.07034	62.1
107.04943	20.0
107.08600	14.4
109.06523	11.1
109.10169	6.6
111.08081	3.7
113.06033	2.2
115.05407	3.1
116.98650	1.7
117.07027	5.8
119.08592	39.1
121.10152	7.1
123.08071	4.5
123.11709	1.9
125.09653	1.5
127.07580	2.4
128.06154	1.6
129.07005	22.8
131.08563	24.2
133.06519	4.0
133.10127	45.8
135.11694	2.2
136.06218	3.7
137.09641	2.7
142.07745	7.8
143.08575	3.1
145.10100	8.4
147.08034	5.6
147.11688	25.0
149.09627	5.8
155.08502	3.4
157.10121	38.3
159.11745	2.0
163.11183	4.1
165.12691	2.1
169.10136	2.4
171.11694	2.6
175.11177	16.7
192.21019	1.5
193.10538	1.8
193.12289	12.0
212.20959	1.6
227.49440	1.7
249.14876	2.1
267.09308	2.9
267.15900	33.6
267.20987	5.1
274.51089	1.5
285.10046	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03944	5.2
55.05508	6.7
57.03441	24.3
60.50129	1.9
66.72104	1.7
67.05509	13.5
69.03453	2.2
69.07074	2.9
71.60014	2.4
71.60426	2.8
79.05507	11.6
81.03423	100.0
81.07063	13.8
83.04971	6.1
83.08624	19.1
91.05489	18.8
93.07050	9.0
95.04962	22.0
95.08617	7.2
97.10169	2.0
99.04560	2.0
101.32069	1.9
105.07032	16.9
107.04948	5.5
107.08589	3.8
109.06554	5.3
109.10157	2.6
111.04431	1.9
111.08094	6.4
112.94753	2.3
115.05392	1.9
119.08601	15.7
121.10148	4.2
123.08100	3.7
129.07011	9.7
131.08582	8.8
133.06522	3.1
133.10178	3.5
136.06195	7.0
147.08089	2.7
147.11707	7.3
149.09703	2.5
149.27370	1.8
157.10127	9.6
175.11206	8.3
193.12288	19.8
267.15924	41.3
267.20947	3.1
276.20886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03940	4.0
55.01872	2.2
55.05511	6.6
57.03439	18.3
57.07067	0.8
65.03962	0.9
67.05503	12.4
69.03426	2.0
69.07071	3.1
71.04990	1.3
71.59502	0.6
71.59982	1.3
79.05494	11.9
81.03416	100.0
81.07059	11.9
83.04987	6.5
83.08618	12.8
91.05477	14.7
92.87051	0.7
93.07037	8.5
95.04965	20.6
95.08614	5.5
97.02873	1.2
97.06525	1.3
98.98454	1.4
99.08076	0.9
105.07024	14.4
107.04951	3.8
107.08580	3.8
109.06541	3.3
109.10164	2.9
111.04427	1.7
111.08082	5.4
115.05413	1.3
117.07047	0.9
119.08582	10.4
121.06506	1.6
121.10129	4.2
123.08050	1.5
129.06998	8.5
131.08572	5.6
133.06483	3.1
133.10110	4.6
136.06187	6.2
137.09602	1.5
142.07826	1.8
144.14957	0.8
145.10100	1.8
147.08054	2.3
147.11687	6.6
149.09610	3.2
157.10124	9.2
165.06877	0.9
165.12714	1.6
175.11198	8.4
179.78336	0.7
179.87099	0.7
186.12984	0.8
193.10605	1.4
193.12251	17.5
211.13264	2.7
216.72281	0.7
267.00354	0.8
267.15887	35.1
285.10049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03932	3.0
53.94614	0.8
55.01849	2.8
55.05511	7.4
57.03435	21.6
67.05501	11.4
69.03410	1.6
69.07040	3.3
70.84931	2.4
71.04967	1.6
79.05492	12.4
81.03416	100.0
81.07063	10.8
82.03685	0.8
83.04987	5.7
83.08614	14.3
90.34816	0.9
91.04968	1.2
91.05485	17.7
93.07050	6.9
95.04962	21.3
95.08591	3.8
97.02867	1.3
97.06528	1.5
97.10155	2.6
105.07038	10.7
107.04938	4.9
107.08591	2.8
109.06504	3.9
109.10129	2.0
111.04398	1.2
111.08096	5.6
119.04976	0.9
119.08582	11.6
121.06462	2.8
121.10093	4.3
123.08005	1.1
123.11681	1.1
129.07014	8.0
131.08569	7.5
133.06427	2.3
133.10077	3.0
136.06136	4.2
137.09593	0.9
142.07741	2.6
145.10149	1.9
147.08020	3.0
147.11696	6.3
148.17976	0.8
149.09593	3.2
157.10112	8.1
165.12720	1.6
175.11203	8.7
190.07503	0.9
193.12215	15.6
211.13313	3.3
251.82156	0.8
267.15878	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.4
60.05655	0.2
69.03416	0.3
70.06589	0.4
70.88203	0.5
79.05484	0.3
84.08144	0.3
84.76379	0.2
85.02861	0.2
86.09674	0.5
89.03899	1.5
96.95185	0.2
96.99275	0.2
101.52540	0.2
107.04250	0.2
107.04934	1.4
110.82194	0.2
116.98612	0.2
117.03384	2.3
121.01080	0.2
134.03601	0.6
135.04425	8.3
145.02846	8.1
145.03998	0.4
147.04414	0.3
149.00555	0.7
163.03896	45.4
164.04204	0.7
177.05396	0.2
178.05838	0.4
179.05923	0.4
193.04930	0.2
206.05707	0.8
207.06511	100.0
208.06874	1.5
266.01193	0.7
266.13843	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	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03925	4.1
55.01870	1.4
55.05515	6.6
57.03437	19.5
65.03918	1.0
67.05503	13.8
68.47301	1.0
69.03413	1.8
69.07079	2.1
70.67693	2.5
71.04967	1.8
79.05489	13.0
81.03416	100.0
81.07053	11.8
83.04986	4.8
83.08620	12.4
85.06530	1.0
91.05475	17.0
93.07040	7.5
95.04967	20.6
95.08614	6.3
97.02872	2.6
97.06503	1.4
97.10128	1.9
105.07021	12.9
107.04960	4.6
107.08619	4.7
109.06507	2.5
109.10134	1.8
110.87621	0.9
111.04449	1.8
111.08084	6.6
115.05441	1.2
117.06989	1.5
118.30904	0.8
119.08585	13.4
121.06548	1.0
121.10156	5.3
123.08010	1.6
125.09666	0.9
129.07005	7.6
131.08559	6.9
133.06470	3.2
133.10115	4.6
133.28265	0.9
136.06201	5.7
137.09607	1.3
142.07759	3.4
143.08342	1.0
145.10118	1.5
147.08018	3.3
147.11665	6.0
149.09590	3.4
157.10135	8.0
163.11076	1.5
165.12807	1.6
169.10104	1.3
175.11150	8.6
183.11725	1.1
185.13112	1.0
193.12239	19.6
196.38599	0.8
211.13254	2.9
249.14758	1.1
267.15863	37.7
267.20428	5.0
268.29199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.02371	1.3
55.01890	2.0
55.05510	12.1
55.93519	1.8
56.96567	7.0
57.07052	1.6
65.03947	3.6
66.26461	1.2
67.05505	100.0
67.84940	1.3
69.07064	12.0
71.04998	2.5
71.08636	1.9
71.59840	2.2
76.37469	1.5
78.71462	1.5
79.05492	17.2
81.07059	97.5
83.04955	1.3
83.08622	5.0
85.06561	1.5
91.05487	4.1
93.07050	15.2
95.04961	3.8
95.08607	73.7
97.06550	2.4
97.10184	2.4
98.97575	1.5
105.07053	7.2
107.08612	10.4
109.10159	49.2
111.04470	1.8
116.98701	1.6
117.07037	2.7
119.08577	3.8
121.06548	1.8
121.10124	8.0
121.57198	1.3
122.07195	2.2
123.08051	1.8
123.11701	23.9
131.08568	5.3
133.10139	4.0
135.08028	2.2
135.11682	6.3
137.05977	1.9
137.13229	7.6
145.10130	4.2
147.11691	2.7
149.09624	1.6
149.13277	3.6
159.11641	2.5
163.11130	1.9
163.14806	2.0
168.64160	1.4
173.13242	3.6
177.00688	2.1
181.12294	1.5
184.09319	2.3
185.04826	1.4
187.13417	1.6
191.14320	1.5
195.13817	2.1
201.12733	1.8
209.15372	2.4
219.13466	1.2
223.17010	1.5
226.94398	1.5
229.19617	1.7
243.09041	4.3
247.20586	5.0
251.09317	1.6
261.10214	2.4
265.08511	2.5
265.19019	2.1
265.21667	43.7
269.10632	2.7
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
53.42711	5.4
55.00917	4.5
55.05507	69.6
55.19075	4.7
57.03438	6.3
57.07072	34.6
57.93104	5.2
62.89925	5.6
67.05502	61.2
69.07064	91.5
69.25847	4.8
71.08646	21.2
71.61378	7.1
71.61753	7.0
79.05497	35.9
81.07058	72.6
83.08618	66.6
93.07034	48.6
95.08599	71.6
97.06553	21.8
97.10150	43.7
107.08592	30.4
109.10139	40.7
111.08018	12.7
111.11715	14.7
113.52235	5.2
121.10143	64.2
123.11729	13.1
125.09646	5.9
135.11687	48.9
137.13216	9.3
139.11304	6.3
149.13295	15.5
151.14861	5.8
152.93021	5.4
163.14867	6.0
177.16452	8.6
247.24187	50.3
265.25275	100.0
286.76666	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	265.1548
Annotation	Val Phe
Peak:m/z	Relative Intensity
51.70690	0.3
53.03948	0.3
55.05511	12.1
56.05022	0.4
56.96562	0.5
57.05818	1.5
60.65587	0.3
60.75903	0.3
67.05512	0.4
69.09432	0.4
70.06602	0.4
70.91807	0.7
71.29218	0.3
72.08155	100.0
73.08508	0.4
79.05500	0.4
81.07076	0.4
84.04478	0.8
85.02927	0.4
86.09711	0.4
91.05474	1.4
93.07070	0.6
95.04968	0.4
95.08630	0.3
98.97583	0.8
103.05496	0.6
105.07038	0.6
107.08601	0.3
109.06528	0.3
116.98613	0.6
119.04939	0.7
120.08104	13.0
122.07183	0.4
123.08138	0.4
130.05020	0.7
131.04953	0.5
131.08612	0.5
137.34981	0.3
145.06522	0.5
145.10060	0.5
147.04454	1.4
159.08029	0.4
161.06003	0.4
166.08640	10.8
192.03700	0.4
219.10355	0.4
219.15071	0.5
247.09612	0.4
249.77583	0.3
265.15497	2.4
265.18057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03933	10.8
55.01871	29.4
55.05506	37.8
56.96557	11.2
57.03441	7.4
57.07074	4.6
65.03960	5.1
67.05173	4.5
67.05503	64.1
69.03422	8.6
69.06720	4.8
69.07064	57.3
70.06554	4.3
71.04986	13.4
71.59814	4.7
79.05489	78.8
81.03408	16.2
81.07057	90.7
83.04971	17.2
83.08623	29.7
85.02894	5.1
91.05479	75.4
93.07041	80.2
95.04974	33.5
95.08599	54.8
97.02879	5.8
97.06528	36.1
97.10156	5.7
105.07020	51.8
107.04969	27.1
107.08591	61.0
109.06514	32.6
109.10157	25.4
111.08065	17.9
115.05447	7.4
116.71566	3.6
117.07011	41.5
119.08575	39.8
121.06491	15.8
121.10149	28.9
123.04303	4.0
123.08075	22.5
123.11676	8.0
125.09624	5.5
128.02213	3.6
128.06216	5.7
129.05470	4.3
129.06995	11.2
131.08575	42.8
133.10135	33.2
135.08060	51.9
135.11674	12.3
137.09641	22.6
139.07541	3.7
142.07739	6.9
143.07054	10.1
143.08545	13.7
143.90959	4.0
145.06500	13.8
145.10107	53.3
147.08060	5.3
147.11690	17.1
149.09621	67.7
151.07549	5.6
151.11189	13.7
153.09097	8.5
155.08516	7.9
157.10115	10.6
159.08054	9.0
159.11694	48.8
160.12473	12.1
161.09602	9.3
161.13237	10.3
163.07541	7.0
163.11243	20.3
163.12425	4.7
165.07100	4.6
165.09093	11.3
167.10724	4.0
168.09430	5.0
169.10152	6.6
171.11745	7.8
173.09648	6.2
173.13248	11.3
177.00711	4.0
177.09164	4.2
183.11697	16.2
183.32745	3.7
185.13219	4.1
187.11166	14.0
187.14781	10.1
201.12746	7.5
201.16393	32.1
201.20390	5.7
207.45197	3.6
211.14792	14.6
219.17465	19.3
225.31419	3.6
229.12219	7.7
229.15869	48.4
247.13156	11.7
247.16948	100.0
265.08612	10.7
265.14850	9.6
265.17917	80.9
265.24707	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	265.1434
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
55.05505	9.6
56.05142	2.2
56.96567	10.3
57.07073	4.1
64.64288	2.0
67.05519	10.0
69.07059	9.8
70.06592	4.0
70.55807	6.1
71.06927	3.7
71.08698	2.2
79.05484	14.9
81.03446	2.6
81.07053	25.2
83.04967	4.4
83.08616	3.7
83.58829	2.2
85.02898	2.5
85.06576	2.0
88.07630	4.0
89.07958	3.0
91.05478	20.9
92.16998	2.2
93.07047	18.0
95.04966	4.8
95.08615	14.4
97.06554	5.9
98.97562	4.2
99.04468	2.1
103.05426	2.5
105.07033	35.6
107.04958	4.2
107.08612	11.7
109.02854	2.1
109.06535	4.1
109.10155	7.1
111.04455	2.7
115.05445	4.0
116.98631	2.9
117.07001	21.2
119.08577	27.8
121.06490	2.3
121.10151	7.4
123.08068	2.6
123.11713	3.3
129.07034	5.7
130.07770	3.4
131.08572	73.6
133.10149	10.7
134.99672	4.1
135.08025	3.8
135.11723	3.7
141.07047	2.8
142.07756	2.7
142.50836	2.0
143.08578	21.8
145.06479	3.9
145.10121	100.0
147.07996	4.1
147.11652	12.7
149.09669	4.2
154.22859	2.4
154.43027	2.3
155.08556	5.4
157.10098	5.9
159.08069	6.9
159.11690	10.5
161.13268	4.3
163.07544	4.3
163.11160	5.3
168.09306	3.7
171.11732	2.4
173.09612	5.8
173.13269	84.1
174.13625	2.1
175.11212	2.3
175.14815	7.3
177.00784	3.6
177.09125	6.2
177.16301	2.3
183.11713	12.1
185.13173	2.1
187.07471	2.3
187.11211	2.4
191.10675	6.5
197.04518	2.8
201.12759	13.0
201.20419	7.2
202.20798	3.0
203.20985	7.9
205.08553	2.8
219.10519	3.2
219.13809	77.0
229.12227	10.2
242.09633	2.4
247.13333	22.2
247.17067	3.9
247.24011	2.4
265.14355	26.1
265.18610	2.0
265.19174	1.9
265.24646	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	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
52.61402	2.1
52.72911	2.1
55.01861	2.9
55.05507	7.3
56.05000	3.0
56.96560	6.4
57.03440	2.8
57.07072	4.3
59.55201	2.3
61.02925	2.5
65.03934	4.2
65.89197	2.0
67.05505	12.5
68.71421	2.0
69.03436	15.3
69.07069	4.7
69.32588	2.1
70.06590	7.4
70.93903	1.9
71.04996	4.9
71.58418	1.8
71.58874	3.3
72.08151	7.6
73.02936	2.9
77.03896	2.3
79.05487	9.2
81.03403	5.1
81.07056	7.1
83.04984	5.5
83.08633	3.7
84.04549	2.5
85.02915	6.2
86.09694	12.6
91.05466	18.0
93.07045	20.0
95.04962	18.5
95.08600	9.9
97.02879	5.0
97.06512	5.3
98.97616	2.2
99.04488	3.0
103.05475	8.3
105.07031	27.2
107.04926	2.2
107.08597	10.0
109.02911	3.0
109.06522	16.0
109.10175	3.6
111.04411	10.4
111.08083	3.9
113.06010	5.3
114.11155	1.9
115.05444	2.9
116.98642	3.6
117.07020	5.9
119.08579	32.5
120.07230	4.9
120.08101	100.0
121.02873	5.9
121.06483	12.9
121.10140	5.1
122.07161	9.4
123.08060	7.2
125.05994	2.8
128.06287	2.4
129.06987	5.2
131.08559	13.6
133.04930	2.6
133.06496	3.3
133.10139	7.0
134.99666	3.2
135.08051	24.4
137.05978	4.0
137.09657	2.6
139.03891	2.9
139.07532	3.4
141.07033	2.4
142.07803	4.8
143.08542	2.6
144.09392	2.9
145.06400	4.1
145.10109	13.0
147.04456	4.9
147.08073	11.5
147.11690	6.6
149.05923	2.6
149.09605	6.8
151.07477	2.3
155.08571	2.7
157.10159	6.4
158.07291	3.7
159.08081	12.2
159.11694	12.6
161.09612	12.5
163.07481	3.4
165.09111	7.6
169.10048	3.7
171.08022	4.1
172.08841	7.9
173.09621	6.2
173.13258	4.7
175.07545	24.1
175.11069	10.0
177.05432	2.4
183.11667	3.9
186.10342	2.9
187.11102	10.2
189.09056	3.4
189.12788	4.7
193.08607	5.6
199.11177	3.6
201.12788	8.4
203.10637	12.5
205.12398	3.8
206.05719	2.6
211.11118	4.0
217.12248	6.0
229.12274	7.2
247.13329	12.4
265.14172	15.0
265.25116	2.3
268.22125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
51.78471	2.4
55.05511	6.2
56.96561	2.8
58.87477	2.2
65.93633	2.1
67.05505	15.9
69.03400	2.3
69.07069	6.5
69.57984	15.0
79.05491	10.5
81.07059	30.1
83.08617	4.9
91.05476	23.2
93.07031	18.1
93.24464	2.5
95.04941	3.6
95.08613	11.7
105.07033	35.6
106.00623	2.0
107.04929	2.6
107.08604	5.5
109.06496	5.9
109.10151	4.5
117.07023	21.2
119.08582	28.6
121.06477	3.4
121.10159	3.2
123.11729	4.0
128.06160	3.4
129.06999	5.8
130.07809	3.8
131.08571	78.3
133.10129	10.8
134.56406	2.4
135.08058	3.5
139.07536	3.4
142.07764	4.0
143.08559	25.5
144.09343	4.0
145.10123	100.0
147.11639	13.6
149.06001	2.9
155.08525	5.4
157.10118	5.1
159.08073	3.6
159.11705	13.4
161.13258	6.4
162.72954	2.4
163.11263	2.8
168.09421	2.7
173.09601	7.1
173.13268	77.3
175.14796	10.0
177.09119	10.1
183.11736	11.2
191.10675	9.0
191.14325	3.5
201.12715	16.6
211.17628	2.3
219.13809	85.9
229.12170	13.1
247.13342	25.9
256.66168	2.5
265.14307	21.3
265.21619	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
55.01875	2.5
55.05502	8.2
56.96561	3.0
57.07060	2.0
67.05501	7.6
69.03416	5.4
69.07064	8.3
69.55033	5.6
69.55460	12.2
79.05502	8.7
81.07046	24.1
83.04984	6.8
83.08607	3.8
85.02914	4.4
85.06582	2.6
91.05476	23.3
93.07045	14.2
94.56628	1.9
95.04959	6.6
95.08598	13.6
97.10174	2.7
103.05492	2.7
105.07024	32.3
107.08597	10.9
109.06539	4.8
109.10166	4.7
111.11643	2.1
116.06251	3.5
117.07001	16.4
119.08578	25.4
121.06522	5.1
121.10131	7.2
122.07133	3.1
123.11669	3.9
125.06017	2.5
128.06216	2.7
129.06996	4.8
130.07788	3.9
131.08566	68.8
131.09512	4.6
133.10127	9.6
135.08020	5.3
137.13322	3.3
143.08554	27.7
145.10118	100.0
147.08028	2.8
147.11665	8.7
149.05975	3.7
149.13240	2.7
155.08574	4.1
159.08105	5.1
159.11742	2.6
163.07587	4.6
163.11169	3.8
165.12759	8.2
173.09676	10.4
173.13271	79.3
175.14830	5.9
177.09137	8.2
183.11693	6.1
191.10681	7.5
191.14346	5.0
201.12711	13.0
219.13800	73.8
229.12244	8.5
247.13342	17.4
265.06992	2.6
265.14362	19.6
265.18002	6.4
265.24942	4.2
271.86688	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01867	1.3
56.96560	4.2
69.03434	2.3
69.40614	9.6
70.06591	2.5
72.08131	1.7
77.03924	3.7
81.07043	1.1
84.96014	1.3
85.02900	2.9
86.09708	7.9
87.10043	5.4
91.05493	2.6
93.03414	1.8
93.07052	1.1
95.04923	1.1
97.02891	2.4
98.97585	2.2
103.05466	1.5
105.03401	11.7
105.06983	1.1
107.04950	2.0
116.98632	1.8
119.01924	1.3
119.04916	2.2
121.02863	7.8
121.06489	1.8
123.04434	3.2
123.92233	1.0
127.03949	1.4
133.02847	24.6
134.03590	1.8
134.99695	2.5
136.06198	7.6
139.03882	1.3
139.51044	1.1
146.10463	1.0
147.04385	7.1
149.02373	1.1
149.05952	11.0
150.05638	1.0
151.03905	2.0
161.01228	1.6
172.11975	1.5
177.05469	100.0
186.07475	1.2
192.03656	3.0
205.04950	6.0
206.05797	2.2
219.01720	1.7
219.79202	1.0
236.12830	20.9
264.07233	3.1
264.12262	20.7
264.14709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
55.01870	3.2
55.05505	9.7
56.96552	7.1
57.07064	3.8
60.92196	2.4
67.05492	8.7
69.07069	7.0
70.06577	6.5
70.55672	8.1
79.05489	11.3
81.03418	2.8
81.07056	27.1
83.04973	3.6
83.08610	3.0
91.05454	18.8
93.07038	19.3
95.04978	6.3
95.08620	14.8
95.94401	2.8
97.06560	4.3
97.43884	2.4
98.97575	3.6
105.07032	45.4
107.08586	9.5
109.06522	4.3
109.10126	4.8
114.34498	2.6
115.05415	3.0
116.98642	2.7
117.07030	17.5
119.08566	27.0
121.06456	4.3
121.10133	6.8
123.08100	3.7
128.06239	7.1
129.06982	3.7
129.53778	2.6
130.07802	3.5
131.08565	69.4
133.10121	9.3
134.99683	3.7
135.08064	6.0
135.11769	2.9
137.21545	2.5
142.07748	3.7
143.08569	24.2
144.09258	2.4
145.06462	5.7
145.10118	100.0
147.11691	14.7
149.09543	2.5
149.13116	3.2
149.20128	2.7
155.08569	6.1
157.10126	12.6
159.08057	8.6
159.11694	41.2
160.12529	7.4
161.13263	10.1
163.07567	4.3
163.11217	3.5
168.09332	8.8
171.07916	3.0
171.11679	5.6
173.05994	3.1
173.09605	10.2
173.13269	74.3
174.10471	4.9
175.10867	3.6
175.14824	6.5
176.11032	8.7
177.05446	3.4
177.09096	6.2
180.77271	2.7
183.11710	23.8
185.13176	3.5
187.07494	2.8
187.11095	3.4
189.09070	3.2
191.10686	4.1
197.69539	2.4
199.11165	3.3
201.12810	17.8
201.20447	5.2
203.20947	3.7
211.11115	4.0
219.13799	75.9
222.06763	3.1
229.12097	13.1
247.13313	27.4
247.16936	4.2
265.08560	11.7
265.14316	26.1
265.18253	3.0
265.21753	5.0
265.24530	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05513	18.1
57.07070	17.2
67.05498	66.7
69.07052	13.4
71.60139	8.1
71.60500	5.0
79.05490	20.0
81.07048	74.6
82.63433	4.9
83.08617	9.7
91.05487	22.3
93.07013	28.7
95.08612	82.0
97.06514	6.6
97.10167	6.9
105.07021	15.3
107.08602	16.1
108.22205	4.9
109.10130	36.8
114.55321	5.2
119.08578	12.0
121.10155	20.5
123.11730	13.3
133.10143	15.7
135.11716	14.1
137.13260	12.4
147.11714	16.4
149.13245	9.5
151.14722	7.4
161.13280	13.4
163.14835	8.3
165.16389	8.4
171.11673	11.4
175.14850	11.6
179.41830	4.9
189.16411	4.8
217.12259	8.6
245.22620	43.4
263.23669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32185	1.3
56.96566	100.0
64.60596	1.3
69.03436	2.1
72.08160	1.6
72.96034	3.6
74.02441	3.5
74.97601	1.7
77.86116	1.3
81.07063	2.2
82.73328	1.2
83.51385	1.4
83.97635	2.5
85.02905	1.7
85.99179	1.7
91.45630	1.3
95.67735	1.3
98.97588	6.3
116.98629	10.0
118.06567	1.7
120.08129	2.4
134.99663	11.4
148.76289	1.5
153.00797	1.5
159.09142	1.5
167.03763	3.0
172.12091	1.8
176.03841	15.7
178.05415	14.0
183.03285	4.3
192.03363	1.8
194.04964	11.7
196.06468	16.4
196.39967	1.4
197.01234	1.8
199.02864	1.9
201.04375	9.9
204.03346	3.3
208.02800	3.8
210.04367	1.9
215.02339	2.1
222.04384	73.1
226.03912	3.8
240.05435	70.3
245.05980	3.1
246.12038	2.0
264.05286	14.6
264.13367	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05509	18.2
57.03436	2.3
57.07074	21.0
67.05504	80.6
68.54968	1.9
69.07068	18.9
70.85963	5.6
71.04987	1.9
71.08638	9.7
79.05494	26.7
81.07056	100.0
82.76192	1.8
83.04976	4.4
83.08630	16.1
85.06532	6.2
85.10207	4.4
91.05484	28.1
93.07048	29.0
95.04976	2.9
95.08605	92.3
97.06521	10.7
97.10161	8.0
99.08070	5.0
105.07027	24.7
107.08599	19.3
109.06500	3.3
109.10155	40.8
111.08088	5.9
111.11712	2.3
113.09628	4.0
119.08563	20.3
121.10151	21.0
123.11723	23.2
133.10110	25.6
135.11700	12.5
137.09593	5.4
137.13240	10.0
147.11670	19.0
149.13249	13.3
151.14845	5.6
161.13228	16.5
163.14810	9.2
165.16406	8.2
171.11649	5.0
175.14882	9.4
179.17934	6.1
189.16409	4.6
203.17934	2.5
217.12141	2.5
245.11746	5.4
245.22659	51.6
263.23715	79.7
264.23856	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58664	1.1
53.03944	1.4
55.05263	1.3
55.05510	18.6
57.03426	1.5
57.07078	12.9
59.95343	1.2
65.03929	2.5
67.05505	90.6
69.07072	20.6
69.59808	5.5
69.60231	3.6
71.04994	2.4
71.08636	8.0
75.75498	1.0
79.05495	21.6
81.07056	100.0
83.04961	2.0
83.08621	14.3
85.06533	4.2
85.10162	3.1
91.05484	17.9
93.07047	23.8
95.04980	2.5
95.08605	83.2
96.08936	1.2
97.06535	7.5
97.10181	8.0
98.20695	1.2
99.08089	5.4
105.07055	9.8
107.08594	13.7
109.06495	2.2
109.10157	44.1
109.15733	1.3
111.08074	4.2
113.09621	2.5
119.08577	11.1
121.10146	15.1
123.08025	3.2
123.11705	14.7
127.11195	1.8
133.10121	14.8
135.11691	10.7
137.09645	2.3
137.13268	6.5
139.11185	1.9
141.12721	1.7
147.11676	10.4
149.13290	8.7
151.11098	1.6
151.14841	8.0
161.13264	13.4
163.14821	9.1
165.12811	1.7
165.16394	11.1
175.14815	6.6
177.16412	1.7
179.17982	5.2
189.16402	3.7
198.53847	1.2
203.17975	1.7
217.19463	1.6
245.22650	37.3
263.23706	68.2
264.23932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.61515	1.0
55.01875	1.1
55.05513	18.7
57.03431	2.2
57.07077	11.6
67.05508	89.4
69.07079	19.3
69.15868	1.2
71.04981	2.3
71.08637	6.4
71.51823	1.2
75.35177	1.1
79.05054	1.7
79.05492	25.0
81.07059	100.0
83.04968	2.8
83.08623	16.7
85.06544	3.5
85.07019	1.1
85.10168	3.1
91.05476	20.5
91.29967	1.1
93.07050	26.1
95.04961	4.1
95.08610	83.8
97.06536	6.2
97.10176	7.8
99.08088	6.0
104.99300	5.9
105.07034	13.9
107.08595	15.4
109.06522	1.4
109.10159	42.1
111.08067	4.8
111.11703	1.8
113.09664	1.3
117.07011	1.9
119.08580	14.1
121.10156	14.0
123.08031	3.9
123.11711	16.3
124.78028	1.2
125.09624	2.2
127.11214	2.0
129.06943	1.8
131.08554	1.5
133.10141	14.1
135.11723	9.4
137.00227	1.2
137.09601	4.4
137.13257	7.3
141.12772	1.7
143.08563	1.7
145.10167	1.7
147.11691	10.2
149.13252	7.8
151.11107	1.3
151.14850	6.3
156.66449	1.2
161.13249	8.8
161.74023	1.2
163.14845	7.4
165.12749	1.5
165.16367	7.3
171.11702	7.8
175.14822	7.5
179.17941	3.9
181.15933	1.8
183.93425	1.3
189.16440	2.6
199.11192	1.4
203.18056	2.3
217.12257	4.6
217.19557	1.6
245.11745	3.4
245.22656	28.4
263.14697	2.8
263.23712	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05513	15.7
57.03423	2.7
57.07068	11.1
65.03925	3.6
67.05502	85.4
69.07073	17.3
69.60237	9.2
69.60664	7.4
71.04990	2.4
71.08624	6.2
74.58064	1.7
79.05487	23.9
81.07052	100.0
83.08610	15.9
85.06550	3.3
85.10172	3.5
89.19704	2.1
91.05486	18.0
93.07037	22.9
95.08604	82.2
97.06528	7.6
97.10184	5.0
99.08100	6.8
105.07043	9.8
107.08607	12.7
109.10155	39.3
111.08050	3.3
113.09665	3.1
119.08588	11.9
121.10130	14.5
123.11694	15.8
133.10141	12.9
135.11682	8.4
137.13272	4.1
147.11687	9.5
149.13206	4.8
151.14792	5.2
161.13254	9.8
163.14844	6.7
164.02267	2.0
165.16368	10.3
175.14842	8.4
177.16408	2.5
179.17905	3.1
189.16412	5.7
245.22644	30.4
263.23694	55.1
263.49356	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01880	0.9
55.05511	16.1
57.03441	1.4
57.07075	14.0
65.03938	2.8
67.05505	86.4
69.07068	16.9
69.07447	0.8
69.70017	1.9
69.70444	3.1
71.04987	1.6
71.08630	6.6
79.05490	22.5
80.05825	0.9
81.07058	100.0
83.04993	1.3
83.08620	15.5
85.06561	4.6
85.10172	2.7
91.05482	19.7
93.07047	26.1
95.04965	2.5
95.08607	84.5
96.08966	1.4
97.06528	9.0
97.10171	6.8
99.08084	4.6
100.31095	0.7
104.99269	6.1
105.07030	11.9
107.08594	17.1
109.06503	1.8
109.10156	42.3
111.08077	6.2
111.11733	0.9
113.09647	3.4
113.16715	0.7
117.06977	1.3
119.08582	13.5
121.10152	17.3
123.08073	3.2
123.11709	18.4
123.12572	1.3
125.09684	0.9
127.11183	2.0
129.07027	1.0
131.08595	1.6
133.10129	17.2
135.11691	8.5
137.09616	3.2
137.13255	8.0
141.12727	2.7
143.08585	1.2
145.10104	0.9
147.11696	10.5
149.13268	9.9
151.11197	2.0
151.14813	8.8
155.14236	1.7
156.55974	0.7
161.13278	11.8
163.14815	7.1
165.16405	9.3
171.11671	3.5
172.55684	0.8
175.14851	6.7
177.16360	2.0
179.14508	0.8
179.17998	4.0
186.96869	1.4
189.12788	0.8
189.16331	3.9
203.18037	1.1
204.97842	0.8
205.19525	0.7
217.12282	1.3
217.19566	1.4
219.21060	1.5
245.11670	2.2
245.20015	1.0
245.22639	30.5
263.23712	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.08154	0.4
53.03950	1.8
55.05511	15.1
56.96563	1.1
57.03438	2.3
57.07076	12.0
57.99419	0.5
58.45456	0.4
65.03933	2.1
67.05504	82.9
68.05823	0.7
69.03438	0.8
69.07069	17.1
69.74712	0.5
71.04986	2.3
71.08633	6.3
79.05493	21.0
79.05959	1.0
81.07056	100.0
83.04986	1.7
83.08620	13.1
85.06551	5.0
85.10176	2.3
91.05479	18.2
93.07045	23.7
93.51809	0.5
95.04978	2.4
95.08604	84.2
96.08920	0.6
97.06528	7.7
97.10166	6.0
98.20742	1.0
99.08101	4.7
104.99265	6.2
105.07034	12.4
107.08593	14.7
109.06509	1.8
109.10154	45.6
110.10488	0.7
111.08075	5.5
111.11763	1.2
113.09644	2.8
117.07045	0.7
119.08573	11.6
119.09349	0.9
121.10144	16.2
121.91567	0.6
123.08051	2.7
123.10808	0.9
123.11707	17.1
125.09626	1.3
125.13332	0.5
127.11179	1.3
129.07019	0.8
131.08601	0.7
133.10129	14.5
135.11691	8.5
137.09622	2.4
137.13248	7.2
139.11220	0.7
141.12732	1.8
143.08580	1.0
145.10170	0.6
147.11679	8.5
149.13263	8.7
151.11191	0.8
151.14827	7.8
155.14343	1.3
161.13257	9.0
163.14835	6.3
165.12685	0.7
165.16414	8.3
167.14339	0.9
171.11647	3.3
175.14832	7.8
177.16451	2.4
179.14357	0.9
179.17944	4.2
181.15851	1.4
189.16350	3.0
191.17911	0.5
199.06387	0.9
199.11243	0.7
203.17952	1.4
207.17543	0.7
217.07449	1.2
217.12271	1.9
217.19540	1.1
219.21072	0.7
245.11731	1.1
245.22653	31.2
246.22949	0.7
263.23703	66.7
264.24063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03930	1.9
53.92443	1.1
55.05506	15.3
57.03432	2.8
57.07078	10.6
65.03928	1.9
67.05503	86.0
69.07068	17.6
69.57449	7.8
71.04995	1.7
71.08629	7.3
74.04728	1.0
79.05492	18.8
81.07056	100.0
83.04975	2.3
83.08619	13.8
85.06521	4.4
85.10179	3.0
91.05473	14.4
93.07041	23.3
95.04936	1.9
95.08604	83.7
97.06528	8.0
97.10166	5.6
98.21565	2.2
99.08094	4.9
104.99274	2.9
105.07039	11.5
105.11543	1.2
107.08606	14.1
109.06495	1.2
109.10156	48.3
111.08080	6.0
113.09637	4.7
119.08558	10.9
121.10142	16.5
123.08054	3.2
123.11716	19.1
133.10127	13.4
135.11703	9.0
137.09616	2.8
137.13263	7.2
141.12761	2.1
147.11703	11.3
149.13261	10.1
151.14787	9.1
155.14374	2.1
161.13264	11.0
163.14818	6.6
165.12830	1.3
165.16422	8.6
167.14310	1.9
175.14818	7.3
177.16388	1.7
179.17958	3.5
189.16362	2.8
217.19688	1.4
233.09961	1.4
244.72269	1.1
245.22667	34.3
246.22910	1.6
247.11662	2.4
248.12401	2.3
263.14703	15.4
263.23712	65.8
264.24039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
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
53.03946	3.0
55.01876	3.3
55.05504	16.1
56.96558	10.7
57.07059	2.9
65.03948	3.3
67.05499	12.8
69.03418	11.0
69.07059	12.3
70.43863	6.6
70.44261	5.7
79.05489	24.4
81.07055	60.9
83.04977	4.7
83.08611	25.0
91.05483	25.5
93.07040	24.5
95.04968	8.6
95.08601	17.8
96.72125	3.0
97.06519	12.1
103.40584	2.9
104.99273	100.0
105.07027	56.0
107.04962	23.7
107.08585	39.8
109.06506	27.9
109.10130	4.6
111.08068	16.0
115.05484	3.5
117.06985	13.9
119.01946	6.4
119.04932	5.0
119.08580	27.2
121.06498	6.5
123.08061	8.5
125.09644	4.5
128.06227	6.6
129.06996	15.2
130.07809	4.0
131.01895	4.2
131.08603	17.7
133.06502	13.2
133.10141	16.6
133.58081	3.0
135.08014	17.0
137.05969	9.1
139.11157	5.6
142.07735	3.6
143.08560	29.9
145.10107	27.2
147.08032	11.8
147.11662	3.7
151.07545	6.4
153.09068	4.8
156.09264	3.5
157.06447	3.6
157.10129	14.4
159.11703	10.8
161.02965	8.0
161.05986	3.8
161.09596	13.3
161.13300	8.9
163.07523	4.3
163.11140	3.7
165.09085	6.3
166.48637	2.8
167.10675	3.2
169.10095	3.2
170.10934	3.7
171.08058	3.8
171.11687	52.6
173.09621	4.2
173.13341	5.2
175.07491	4.1
175.11145	5.5
175.14812	9.5
177.00174	3.3
177.12764	23.7
181.12296	3.1
185.13251	23.5
187.11197	4.3
189.09119	5.6
189.12773	5.4
198.98860	3.9
199.11169	12.7
203.14282	22.7
205.12236	7.4
213.12733	11.1
213.45654	2.9
217.07523	4.3
217.12231	33.8
217.15656	3.4
221.15411	4.9
231.13808	32.3
245.11697	25.7
245.15393	7.7
250.64792	2.8
263.08356	4.2
263.12732	11.0
263.16446	42.2
263.20047	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	263.1426
Annotation	H-Met-Leu-OH
Peak:m/z	Relative Intensity
55.01864	0.9
55.05508	1.0
56.05036	62.5
56.96566	5.2
57.03411	1.1
61.01150	43.5
61.17083	0.7
67.05493	1.0
69.03431	1.8
69.07066	1.2
70.06594	7.2
71.05007	1.6
71.08625	1.0
71.59044	0.8
74.06081	6.0
79.05488	1.5
81.03387	0.9
81.07054	4.1
84.04480	1.1
84.08158	1.4
84.96011	0.8
85.02906	2.7
86.09711	10.3
88.66055	0.7
91.05489	3.9
93.07027	2.0
95.08601	1.1
97.02879	0.7
98.97563	1.5
104.05329	100.0
105.07035	2.9
107.04965	1.0
109.02925	1.7
111.04366	0.9
113.10786	1.2
116.07099	11.6
116.98611	2.3
117.07034	1.4
119.01937	2.0
119.04917	1.8
120.08102	16.3
120.08932	1.3
123.04404	2.6
126.35311	0.7
128.06261	1.9
129.06989	3.5
131.01949	1.2
131.08556	1.8
132.10197	4.9
133.06447	1.0
134.99632	1.8
137.05978	2.7
140.96387	0.7
141.10228	1.7
142.07799	1.1
143.08554	2.8
145.06512	0.8
145.10144	1.8
147.04457	1.9
147.11732	1.5
153.06952	1.4
157.06511	1.0
157.10100	1.2
159.08105	1.2
161.02965	6.0
161.05984	1.7
167.06949	0.8
169.01628	0.8
169.13301	1.4
170.03532	0.8
171.07996	1.3
171.11729	5.0
172.11560	1.7
173.02913	2.1
174.06755	1.3
175.07587	2.6
177.05464	1.0
189.07109	0.9
191.04015	1.1
192.03625	0.8
198.11264	1.9
199.07564	1.2
199.11215	2.2
215.13954	7.6
217.08685	1.2
217.12190	3.6
217.13841	2.4
227.06949	1.3
239.02339	1.4
245.08078	3.7
245.11743	2.8
253.04123	1.0
263.09167	2.1
263.14496	6.8
263.63330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
51.86080	1.3
56.05796	1.2
67.05502	1.8
70.25115	2.7
70.25515	3.0
79.05471	4.4
81.07042	3.9
90.21669	1.5
91.05489	5.6
93.07034	3.0
98.21434	1.2
105.07024	7.3
115.05457	3.3
116.06215	1.4
117.07008	12.2
119.08568	3.4
128.06210	3.9
129.07002	19.2
130.07800	1.7
131.08586	15.4
133.06456	1.9
141.06940	1.7
142.07761	3.9
143.08559	24.9
143.27240	1.2
145.06343	1.1
145.10129	10.3
155.08539	2.3
156.09335	3.8
157.06520	1.5
157.10103	3.7
161.05911	3.7
162.15512	1.5
165.07045	1.7
166.07764	1.7
169.10135	3.5
171.11684	100.0
172.12090	1.4
173.13287	7.9
175.07571	3.2
181.10115	6.1
189.09172	1.7
189.12717	4.9
199.11179	21.6
217.12233	64.5
227.10719	4.2
232.53894	1.1
245.11737	59.6
263.12769	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	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03937	1.6
55.01869	1.9
55.05508	2.4
56.96561	1.7
59.18439	1.2
62.65001	1.3
65.65537	1.4
67.05492	2.8
69.26517	1.2
70.06578	2.6
71.35529	3.4
73.02924	1.9
79.05477	5.5
81.07056	6.0
83.04954	1.6
91.05477	7.0
93.07045	4.3
95.04966	2.0
95.08595	2.7
105.07028	13.6
107.08613	2.6
115.05461	4.1
116.98620	2.2
117.07021	10.6
119.08587	4.6
128.06268	5.1
129.07008	25.6
130.07796	1.2
131.08582	18.2
132.08055	1.6
133.06537	1.6
135.08018	2.7
137.05949	1.9
140.24634	1.3
141.06975	2.0
141.68878	1.3
142.07799	4.2
143.08563	29.5
145.10133	11.3
147.08113	2.8
147.11694	1.5
155.08580	3.6
156.09387	6.5
157.06505	2.7
157.10124	6.6
160.07564	4.5
161.06000	5.4
161.09563	1.4
161.13274	2.5
165.07005	2.1
166.07831	2.2
169.10120	3.2
171.11693	100.0
172.12189	1.7
173.13263	9.5
175.07497	4.0
175.11110	1.5
181.10167	8.4
184.08847	2.1
189.05508	1.5
189.09077	1.7
189.12724	6.3
199.11191	28.9
203.08241	3.2
217.12241	73.7
219.78911	1.3
227.10664	5.6
239.26505	1.2
245.09541	2.0
245.11734	53.9
263.10239	2.0
263.12759	29.0
263.16388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	allo-Schkuhriolide
Peak:m/z	Relative Intensity
53.03948	0.3
55.01873	0.4
55.05508	0.9
56.05042	0.3
56.96549	0.6
57.03454	0.3
57.77746	0.3
65.03938	0.3
66.65119	0.3
67.05497	0.9
69.03445	1.4
69.07063	0.6
69.75279	1.1
69.75689	0.6
70.06604	2.0
79.05495	1.5
81.03439	0.4
81.07061	1.6
83.04967	0.5
85.02940	0.3
86.09683	1.4
91.05483	3.2
93.07030	1.2
95.04967	0.6
95.08611	1.0
97.06493	0.3
98.97585	0.6
103.05426	0.5
105.07021	2.7
107.04974	0.5
107.08601	0.9
109.06542	0.6
115.05481	1.2
116.06277	0.4
116.98599	0.8
117.07029	1.6
118.90030	0.3
119.01933	0.7
119.04942	0.4
119.08599	1.0
120.08096	1.8
121.06547	0.5
121.10152	0.5
123.22697	0.3
128.06215	1.1
128.98653	0.3
129.06990	2.9
130.06529	0.6
130.07773	0.3
131.01938	0.5
131.08565	9.4
133.06526	0.7
133.10136	0.8
134.99673	0.5
135.08031	0.4
137.03024	0.3
141.06979	2.4
142.07777	1.1
143.01770	0.3
143.08563	3.4
144.05710	1.1
145.06453	2.1
145.10129	2.9
146.07259	2.2
146.10899	1.1
147.08015	0.7
147.11699	0.9
148.04776	0.4
149.09683	0.3
155.08543	0.8
156.09366	1.4
157.06500	0.8
157.10126	2.0
158.07268	0.6
159.08054	84.1
160.08530	1.1
161.02988	1.8
161.05962	0.4
161.09549	0.6
163.07480	0.3
165.06981	0.7
166.07848	0.8
169.09964	0.4
171.08040	1.0
171.11713	3.8
172.08852	0.4
173.02942	0.4
173.09628	4.6
173.13277	0.7
174.10405	100.0
175.07497	0.6
175.11160	4.7
181.10103	1.1
184.08890	0.8
185.09612	0.9
187.07460	0.6
189.12762	0.6
191.04001	0.5
199.11191	6.4
200.06807	0.4
201.12743	0.9
203.10666	0.4
209.09528	0.6
215.10535	0.3
217.12234	5.5
227.10669	3.7
230.09016	0.3
235.13304	0.5
245.11737	9.2
245.15471	0.4
263.12778	27.3
263.16296	1.1
264.13190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
55.05506	2.4
58.88845	0.6
63.63350	0.6
67.05492	1.3
67.25076	0.6
70.84161	2.1
70.84535	0.6
73.02933	0.9
79.05500	3.1
81.07055	4.2
88.62755	0.6
91.05489	6.9
93.07055	3.1
95.08592	1.1
103.05453	0.6
105.07030	9.6
107.08556	1.0
113.15706	0.6
113.66670	0.7
114.99178	0.7
115.05431	4.3
116.06216	0.7
117.07024	12.0
119.04984	0.9
119.08598	3.7
119.43052	0.6
128.06212	4.8
129.07004	22.5
130.07784	2.0
131.07584	0.7
131.08559	14.5
133.06537	1.6
133.10091	1.0
135.04321	0.7
139.36256	0.7
141.06998	1.7
142.07770	4.3
143.08554	29.5
144.09297	0.8
145.06485	0.8
145.10117	11.3
147.08020	1.1
149.06000	1.0
153.06996	1.3
155.08601	3.7
156.09344	6.5
157.06519	1.7
157.10107	6.1
159.08092	0.8
161.05949	3.5
161.09579	1.0
165.06914	1.0
166.07784	2.4
169.10115	2.5
171.11687	100.0
172.12056	1.5
173.13264	7.6
175.07526	3.7
181.10136	6.3
183.11671	1.0
184.08751	1.6
189.05447	1.4
189.09131	0.8
189.12733	4.9
197.09630	0.7
199.11182	26.5
200.11855	0.7
201.12857	1.1
203.06918	0.8
217.12231	71.7
227.10693	3.9
245.11731	63.1
263.12784	32.1
263.15622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
52.61163	1.0
55.01856	1.1
55.05510	1.9
60.58435	1.0
66.75323	0.9
66.81270	0.8
67.05493	1.9
70.66566	3.4
73.02915	1.4
79.05481	3.3
81.07037	4.5
89.91087	1.1
91.05463	6.2
93.07043	3.3
95.08650	1.3
97.36792	1.0
105.07031	7.8
107.08588	1.1
111.08113	0.9
115.05442	3.8
117.07025	10.4
119.08591	5.2
121.06496	0.9
122.13042	0.9
128.06189	4.7
129.07008	23.2
130.07777	2.2
131.08551	17.1
133.06439	1.1
133.10098	1.2
137.05988	1.4
141.06999	2.7
142.07788	4.4
143.08556	26.2
145.10106	11.4
147.08012	1.8
147.44543	1.1
155.08569	1.9
156.09338	5.6
157.06526	2.8
157.10115	5.3
161.05978	4.1
166.07796	2.1
169.10121	1.8
171.11684	100.0
172.12088	1.0
173.13261	9.2
175.07584	2.7
181.10106	6.2
189.09111	1.2
189.12724	5.0
199.11166	23.0
217.12233	68.6
227.10721	2.6
231.80460	1.1
245.11728	64.1
263.12769	23.6
263.18088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	allo-Schkuhriolide
Peak:m/z	Relative Intensity
64.09627	0.4
69.03429	1.2
70.42795	1.6
70.83033	0.4
71.17549	0.4
79.05487	0.8
81.07031	0.5
91.05482	1.6
93.07031	0.5
103.71963	0.4
105.07034	1.3
115.05446	0.7
116.06273	0.4
117.06995	0.6
118.49811	0.4
119.04958	0.8
119.08569	0.7
129.07001	1.3
131.08566	6.9
141.06989	1.3
142.07756	1.0
143.08540	0.6
144.05696	1.6
145.06497	1.7
145.10118	1.0
146.07253	2.6
146.10870	1.0
147.11728	0.5
156.09396	0.9
157.10141	1.4
159.08052	83.8
160.08371	0.8
171.11807	0.7
173.09631	3.4
174.10402	100.0
175.11118	4.2
183.01523	0.4
184.08963	0.6
199.11157	1.3
201.12782	0.7
201.69341	0.4
217.12206	2.2
227.10641	1.1
245.11737	5.9
263.12784	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	263.1277
Annotation	Stramonin  B
Peak:m/z	Relative Intensity
53.28613	0.5
53.86687	0.6
55.01854	0.7
55.05502	1.4
56.59872	0.7
67.05496	1.9
69.03432	7.4
69.62202	4.2
71.04992	14.7
78.81902	0.6
79.05480	2.4
81.07062	3.2
83.04982	1.1
85.02910	10.5
85.06536	1.0
85.27637	0.6
87.71721	0.6
91.05473	5.0
93.07062	3.9
95.04973	2.1
95.08585	2.5
97.06522	2.2
98.97531	1.0
105.07029	9.8
107.04973	0.8
107.08591	13.0
109.06499	2.1
109.10153	2.8
111.08089	0.8
113.16746	0.6
117.07053	1.2
119.08589	6.7
121.06470	1.7
121.10163	1.6
123.04456	0.7
123.08083	1.8
126.63660	0.6
128.06245	1.8
129.06995	2.7
130.07854	0.6
131.08565	3.9
133.06519	3.0
133.10139	6.3
135.08038	3.7
137.05975	0.8
137.09613	10.1
141.06940	1.1
142.07761	3.5
143.08611	3.0
145.06512	5.0
145.10138	5.8
146.07219	0.9
147.08063	3.9
147.11682	10.7
149.09660	3.6
151.11174	4.3
155.08539	1.9
156.09319	2.3
157.06483	1.1
157.10104	5.1
158.07265	2.5
159.08051	5.2
159.11647	0.7
160.08835	1.8
161.09634	2.7
161.13211	0.9
165.09074	1.2
165.12721	1.9
169.06519	0.8
171.08060	4.8
171.11682	7.0
172.08835	2.9
173.09641	9.3
173.13286	0.7
174.10445	3.5
175.11182	25.0
177.09167	1.1
181.10147	1.1
184.08829	3.6
189.09105	2.5
189.12740	12.0
193.12253	8.7
199.11176	11.0
201.12933	0.6
207.13792	1.7
209.09662	0.8
217.12239	8.3
217.25642	0.7
227.10596	1.3
235.13306	1.7
245.11783	2.9
263.12787	100.0
264.13126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
51.50920	0.7
51.91665	0.7
52.05947	0.6
54.13903	0.6
54.25857	0.6
55.01863	1.1
55.05506	2.0
66.04105	0.6
67.05476	2.1
69.03410	0.8
71.20580	1.2
79.05476	4.6
81.07059	6.1
82.58892	0.7
87.36064	0.7
91.05472	7.5
92.15599	0.5
93.07036	6.5
95.04973	1.3
95.08591	1.7
97.06507	1.1
102.72385	0.6
103.05446	0.7
105.07028	15.2
107.04952	1.0
107.08580	1.6
109.06535	0.9
115.05447	4.4
117.07022	12.7
119.04887	0.9
119.08578	3.6
128.06218	4.8
129.06030	1.2
129.07002	20.8
130.07756	2.0
131.08562	19.6
132.09363	1.0
133.06477	1.8
133.10161	1.2
137.06001	1.2
141.06967	1.4
142.07796	2.8
143.08551	31.0
145.10124	16.2
147.08022	1.2
149.05956	1.2
155.08533	2.8
156.09343	6.6
157.06444	2.4
157.10159	5.7
161.05975	4.6
161.13271	0.9
165.07002	1.4
166.07768	1.8
169.10106	2.9
171.08044	1.9
171.11681	100.0
172.12001	1.2
173.13257	11.1
175.07509	5.7
179.08519	0.7
181.10135	7.8
183.11708	1.6
184.08838	1.5
189.09111	1.4
189.12721	6.4
199.11172	28.2
201.12711	1.3
203.06990	1.0
209.09599	0.8
217.12228	95.2
218.12590	1.0
227.10564	3.3
235.13260	1.0
245.11722	53.3
263.12784	28.5
263.17007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
52.57962	0.6
55.01867	1.1
55.05514	1.6
56.96553	3.1
57.07096	0.7
58.60452	0.7
65.03936	0.7
67.05508	1.8
69.03426	1.4
69.07051	1.1
70.42770	2.3
70.43118	0.8
77.22350	0.7
78.97674	0.6
79.05499	3.8
81.07057	13.2
83.39381	0.7
85.06538	0.8
88.73026	0.7
91.05480	5.8
93.07055	3.7
95.04933	0.7
95.08600	2.8
98.20900	0.9
98.97587	1.5
104.99253	2.7
105.07027	5.7
107.08591	2.6
109.06548	1.0
109.10175	1.3
115.05449	2.4
116.98624	1.0
117.07023	4.7
119.01894	1.4
119.04924	1.5
119.08584	3.4
121.06468	0.9
121.10132	1.2
122.44107	0.7
128.06210	2.4
129.07007	8.7
131.08563	14.9
133.06477	1.4
133.10135	2.5
135.08075	1.0
135.11717	1.0
137.05983	3.0
141.06967	2.5
142.07759	3.1
143.08556	10.2
144.05702	1.5
145.06491	2.1
145.10123	7.3
146.07301	4.0
146.10870	0.8
147.08003	1.1
147.11661	0.9
149.09567	0.7
155.08519	1.0
156.09346	3.4
157.06543	1.6
157.10181	3.3
159.08054	84.9
161.02951	2.7
161.05939	1.7
161.09613	1.5
161.13319	1.0
166.07791	0.8
169.10146	1.6
170.45860	0.7
171.11691	28.1
173.09595	4.1
173.13275	2.5
174.10405	100.0
175.07629	1.6
175.11133	4.8
176.29611	0.8
181.10075	3.1
184.08810	1.0
189.09093	1.0
189.12726	2.1
194.57472	0.7
199.11182	9.9
217.12242	23.5
227.10686	2.6
245.11723	22.2
263.06735	0.9
263.12787	29.9
263.16208	1.4
263.20172	0.7
263.23914	1.0
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
58.99851	1.1
70.61843	1.4
77.00893	2.9
81.03400	1.4
86.30576	0.7
89.00888	1.0
90.18003	0.5
95.01925	0.8
101.00863	9.0
109.02864	1.7
113.00860	1.2
115.02427	1.8
119.01920	35.0
127.02404	0.8
131.01881	2.2
133.03461	2.5
135.01387	0.6
137.02962	8.0
139.02402	1.7
143.01894	7.1
145.03465	8.2
157.03470	20.8
158.03560	0.9
159.01401	3.0
161.02956	29.3
163.04509	2.7
167.01871	1.2
169.03493	0.6
175.04512	8.5
179.04008	2.2
185.02960	6.5
187.04460	1.6
191.67610	0.6
203.04010	12.0
213.00163	0.6
221.05070	9.2
239.06097	6.8
245.05048	2.4
263.06122	100.0
264.06302	2.2
267.12970	0.5
269.03134	0.6
277.74847	0.6
281.07169	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1254
Annotation	AUSTRICINE
Peak:m/z	Relative Intensity
55.05505	0.6
56.96553	1.8
58.00796	0.6
67.05504	1.2
69.42779	0.6
69.96943	3.1
79.05485	1.0
80.14202	0.7
81.03428	0.9
81.07040	2.5
81.37165	0.6
91.05472	1.8
92.25516	0.6
93.07066	1.4
93.63223	0.6
94.55685	0.6
95.04960	0.9
95.08579	0.9
98.21448	0.8
98.97568	0.6
104.98621	1.1
104.99273	13.7
105.07007	1.3
107.08583	1.0
109.06497	0.6
117.06992	0.9
119.08604	0.6
129.06992	1.3
131.08560	1.6
133.10117	1.0
143.08521	1.3
145.10135	0.7
157.10127	1.0
161.02979	0.9
171.11659	4.7
199.11221	1.1
217.12212	3.4
245.11728	3.6
263.12546	100.0
264.13034	0.7
281.10501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82006	0.7
53.45475	0.6
65.05031	0.7
69.03426	0.8
69.83772	2.1
69.84164	1.7
82.99863	1.2
85.02886	1.1
97.02862	1.6
101.00883	11.1
110.16786	0.8
113.00871	3.0
119.01916	37.3
131.01906	26.9
137.02975	4.9
143.01898	30.3
145.03468	1.6
146.11743	1.0
147.01277	0.9
149.02953	6.0
151.98015	0.7
155.01880	13.0
157.03429	1.9
161.02953	100.0
162.03091	1.7
173.02956	41.6
174.03146	0.8
175.04500	0.8
179.04065	4.0
184.04561	2.2
185.02992	4.3
191.04012	28.2
197.02995	1.6
203.03973	9.9
215.03946	1.2
221.05092	4.7
233.05016	2.0
239.06088	1.5
245.05127	1.6
246.42807	0.8
257.42780	0.9
263.01825	1.2
263.06110	20.6
263.08795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85539	1.4
70.06585	4.3
70.40905	6.1
82.99837	2.5
85.02901	2.6
85.51892	1.7
86.03239	2.1
90.83966	1.6
91.10056	1.5
96.92844	1.5
98.06067	2.6
101.00859	14.5
113.00874	4.0
115.08711	3.3
118.08653	16.0
119.01927	37.4
131.01906	25.1
133.25096	1.4
137.02950	6.4
143.01900	33.5
146.09274	1.8
149.02972	6.1
155.01883	13.7
157.03459	1.7
161.02957	100.0
173.01572	3.3
173.02968	43.2
179.04103	2.5
185.02977	5.0
187.82463	1.4
191.04012	30.6
191.90512	1.6
192.52956	1.4
197.03026	1.8
203.04039	11.6
221.05139	3.4
231.10913	4.8
233.05089	2.3
239.06136	2.5
263.01849	9.1
263.06097	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25837	12.1
58.96952	13.5
71.13420	26.2
71.50865	14.2
76.51589	13.6
83.37072	14.5
101.00884	25.6
119.01932	44.7
131.01945	25.1
143.01897	47.4
161.02962	100.0
173.03014	34.9
185.16310	14.0
191.04059	29.4
200.14824	14.9
203.03940	20.2
219.72049	14.5
263.01663	52.0
263.06107	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	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.01863	0.7
55.05511	0.8
56.96559	0.4
57.03429	0.2
57.07078	2.3
59.05002	0.3
69.07072	2.0
70.06592	5.0
71.08628	1.5
71.59853	0.3
73.02920	2.2
73.06560	1.2
73.15154	0.2
79.05487	0.3
81.07035	0.6
84.08149	0.5
86.09701	0.4
88.07079	0.3
88.07631	4.9
91.05477	0.5
93.07010	0.3
95.08597	0.3
97.02924	0.3
98.20766	0.2
98.97596	0.3
102.09184	0.4
105.07034	0.5
106.08667	0.8
107.04969	0.2
107.08572	0.3
114.09158	2.1
115.05439	0.2
116.98618	0.4
117.07018	0.4
118.08643	0.4
119.08583	0.5
120.08096	0.4
128.06258	0.3
129.07065	0.5
131.04832	0.2
131.08560	0.7
132.08092	2.1
132.10208	7.2
133.08862	4.3
134.99678	0.2
143.08563	0.6
145.10138	0.4
146.09508	0.4
148.11208	44.6
149.11597	0.4
150.11256	5.9
159.08000	0.7
161.02908	0.3
161.05910	0.2
171.11679	2.2
173.13277	0.3
174.10394	1.0
174.12758	0.8
176.14386	0.5
186.18544	0.5
199.11171	0.5
200.20200	0.3
205.10983	0.2
216.17470	0.3
217.12291	1.3
218.21141	2.0
244.10634	0.2
245.11746	1.2
246.14720	0.3
262.18024	100.0
262.23764	34.1
263.05438	0.3
263.12820	0.8
263.18381	1.7
263.24249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	2.2
55.05503	12.1
56.96527	1.2
57.03438	1.7
57.07067	5.5
65.03938	1.9
67.05505	45.2
69.03426	1.6
69.07063	12.0
69.57446	2.8
69.57848	11.0
71.04981	2.2
71.08625	3.3
79.05492	54.9
81.07056	48.7
83.04967	3.5
83.08609	7.7
85.06534	5.2
85.10190	2.7
91.05482	34.0
91.70580	1.3
93.07042	70.7
95.04974	7.5
95.08604	36.6
97.06516	7.5
97.10181	2.2
99.08068	2.7
105.07024	29.0
107.08592	41.7
109.06509	5.4
109.10149	16.2
110.68393	1.4
111.08074	3.9
117.07035	8.7
119.08585	17.4
120.93505	1.2
121.10143	35.0
123.08065	5.0
123.11694	6.1
125.09581	1.6
130.07785	1.5
131.08569	28.7
133.10144	16.3
135.11699	28.5
137.09558	3.4
137.13283	2.1
143.08522	2.0
145.10114	24.4
147.11688	17.0
149.09601	3.9
149.13243	15.8
151.11218	1.8
159.11696	16.4
160.88863	1.3
161.13297	15.3
163.11226	1.9
163.14825	15.4
165.12791	2.0
171.11725	1.8
171.97122	1.3
173.13257	14.9
175.14822	4.6
177.12726	2.5
177.16396	4.3
179.14229	1.3
187.14848	10.1
201.16457	4.5
212.07274	1.4
215.17889	5.3
217.19472	4.4
219.17577	1.5
233.22726	2.9
239.69775	1.6
243.21088	55.7
261.22134	100.0
262.14307	2.5
284.22327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.06611	1.0
59.05001	9.5
59.07383	0.8
60.02348	0.4
60.07870	0.8
60.08163	9.2
69.36728	0.4
70.84024	0.8
84.08140	1.2
85.02905	100.0
101.38374	0.4
103.03989	0.5
112.62079	0.4
144.10191	3.5
145.04962	14.7
162.04123	0.9
165.00668	0.4
185.08011	2.2
187.81728	0.4
203.09138	0.5
204.12411	0.6
262.16501	62.9
263.16919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	3.7
55.05507	15.3
57.07064	5.6
59.64334	1.6
59.66300	1.7
65.03933	1.6
67.05503	49.3
67.96191	1.3
69.07063	14.5
69.90975	8.4
71.04996	2.3
75.76963	1.6
79.05489	58.7
81.07056	62.3
83.04979	2.1
83.08624	9.4
85.06532	4.9
91.05482	33.1
93.07040	79.3
95.04949	6.4
95.08045	2.9
95.08606	38.1
97.06506	6.0
97.10178	3.0
99.08092	4.4
105.07032	20.3
107.08587	51.0
109.06519	3.2
109.10143	15.2
111.08083	5.2
117.07000	8.5
119.08564	18.3
121.10138	44.2
123.08053	2.3
123.11694	5.1
127.11229	1.9
131.08582	19.3
133.10144	11.9
135.11684	35.6
137.09581	2.0
145.10103	15.9
147.11681	14.7
149.09650	1.9
149.13258	28.6
156.72542	1.5
159.11713	10.2
161.13239	15.3
163.14807	22.7
165.12718	1.7
173.13254	11.6
175.14848	6.4
177.16385	5.2
179.14235	2.8
187.14799	6.7
201.16347	4.4
215.17938	2.1
224.18857	1.4
233.22633	1.8
236.06937	1.4
243.21085	30.4
261.11081	2.4
261.22141	100.0
262.14423	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.43419	1.0
55.05509	14.7
57.03426	1.5
57.07069	5.4
65.03920	1.7
67.05502	47.6
69.07064	14.1
69.93937	4.6
71.04977	3.1
71.08631	1.5
77.03894	0.9
77.29347	0.8
79.05490	66.3
81.07052	53.9
83.04987	1.7
83.08625	8.9
85.06535	4.4
91.05476	32.3
93.07039	87.2
95.04958	4.9
95.08601	41.7
97.06527	3.5
97.10155	4.0
98.21325	1.5
99.08086	3.2
105.07027	21.6
107.08591	59.6
109.06513	2.7
109.10149	17.1
111.08091	2.8
117.07036	7.4
118.94463	0.9
119.08576	16.2
121.10136	49.7
123.08094	2.5
123.11694	5.2
125.09563	1.0
130.07805	1.0
131.08560	19.1
133.10126	13.8
135.11684	37.4
137.09668	2.1
137.13242	1.6
145.10112	16.8
147.11678	14.6
149.13248	30.0
153.12823	1.1
159.11687	12.8
161.13258	11.1
163.14813	21.0
165.12759	2.2
173.13252	10.8
175.14848	5.6
177.16397	5.9
179.14325	1.4
187.14737	8.1
187.53398	0.8
189.16481	1.2
191.14307	1.0
196.67458	1.0
201.16354	3.5
203.17990	1.4
205.15869	1.5
215.17975	2.3
233.22646	1.7
243.21065	32.4
261.22125	100.0
271.81726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.07211	1.5
53.03935	3.3
55.05510	17.9
57.07066	5.6
60.35605	1.4
65.03918	2.2
67.05504	49.1
69.07069	16.6
70.13973	8.5
71.04974	3.1
71.08627	1.8
79.05489	72.0
81.06577	3.5
81.07056	65.2
83.08603	8.4
85.06534	3.4
87.94843	1.7
91.05479	35.9
93.07042	93.9
95.04969	7.5
95.08606	43.4
97.06513	5.5
97.10160	2.4
98.20837	1.9
99.08087	4.5
105.07031	23.1
107.08588	60.7
109.10149	18.2
110.26812	1.7
111.08085	4.4
111.87804	1.6
117.07018	7.2
119.08585	19.0
121.10141	52.6
123.08041	1.8
123.11697	5.6
131.08583	18.9
133.10109	15.2
135.11693	37.9
137.13223	1.9
145.10100	19.3
147.11703	11.6
149.13255	33.1
154.87584	1.5
159.11679	12.6
161.13264	15.3
163.14806	22.1
173.13275	15.0
175.14806	5.5
177.16393	5.5
179.14357	2.5
187.14894	8.8
201.16360	4.2
243.21103	33.2
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91044	1.2
53.03937	3.6
55.05298	1.3
55.05513	14.2
57.03447	1.5
57.07064	4.7
65.03924	2.4
67.05168	2.4
67.05506	39.8
68.72108	1.5
69.07072	12.9
69.46095	6.3
69.46520	6.2
71.04993	2.1
71.08629	1.9
79.05494	58.6
81.06578	2.4
81.07056	48.3
83.08641	7.6
85.06550	3.4
91.05479	23.9
93.07045	76.0
95.04960	6.5
95.08601	33.3
97.06534	3.1
97.10182	2.9
99.08082	3.1
105.07032	18.1
107.08596	47.9
109.06469	2.5
109.10168	17.1
111.08072	4.1
117.07025	8.5
119.06131	1.8
119.08578	16.3
121.09307	3.1
121.10141	44.2
122.64294	1.6
123.11700	5.8
131.08563	16.1
133.10129	14.8
135.11685	33.0
137.13324	1.5
145.10110	11.9
147.11711	12.4
149.13261	24.1
159.11682	10.8
161.13237	12.7
163.14792	18.9
167.74387	1.4
173.13249	9.3
175.14827	5.3
177.16408	3.8
187.14841	6.2
201.16437	3.0
210.37146	1.6
215.17874	2.7
229.50507	1.6
233.22565	1.7
243.21097	28.4
245.14148	1.4
261.22144	100.0
262.22409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01849	0.7
55.05257	1.1
55.05510	15.0
57.03421	1.1
57.07069	3.9
65.03931	2.1
67.05503	43.0
69.03410	0.7
69.07064	13.8
70.66861	1.8
71.04979	2.0
71.08637	1.4
73.36528	0.6
74.95638	0.6
75.43608	0.6
79.05490	58.4
81.07053	51.1
83.05003	1.0
83.08624	8.3
85.06536	3.0
91.05479	30.0
93.07041	76.4
95.04975	6.4
95.08604	38.4
97.06512	3.5
97.10160	1.8
98.21497	0.8
99.08080	3.6
105.04501	0.9
105.07030	21.1
107.08589	51.8
109.06501	2.9
109.10155	15.6
111.08080	3.8
111.11690	0.8
113.09660	1.3
117.07008	8.0
119.06090	1.1
119.08578	15.1
121.10138	44.3
123.08060	1.8
123.11688	5.0
125.09608	1.5
129.07002	0.7
130.07837	0.6
131.08560	16.5
133.10130	14.0
135.08098	1.0
135.11685	37.4
137.09605	1.9
137.13248	1.6
139.11128	0.8
143.08574	1.1
145.10117	16.3
147.11673	12.7
149.13257	28.0
150.13535	0.7
151.11197	1.0
151.14841	0.8
159.11681	12.1
161.13261	12.2
163.14819	20.8
165.12711	1.0
173.09727	0.6
173.13243	11.6
175.14816	4.7
177.16386	6.0
179.14279	1.9
187.14824	8.5
189.16370	1.4
191.14256	0.8
201.16408	3.3
215.18021	2.4
217.19498	0.8
219.17520	0.6
233.22575	1.3
243.21075	32.0
244.21584	0.6
261.22131	100.0
262.22543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03930	4.7
53.30746	1.5
55.05507	18.4
57.03430	2.4
57.07060	5.3
60.86320	2.0
65.03937	2.0
67.05504	44.3
69.07067	13.6
70.00274	5.9
70.00685	3.0
71.04984	3.1
71.08623	1.7
74.26777	1.6
74.64595	1.6
78.45487	1.7
79.05489	64.4
81.07050	51.2
83.08596	8.7
85.06531	3.1
91.04958	2.7
91.05475	30.9
93.07041	79.2
95.04940	7.9
95.08598	39.5
96.73859	1.8
97.06529	2.5
97.10155	3.1
99.08075	3.4
102.08162	2.1
105.07031	21.4
107.07863	2.7
107.08587	52.0
109.06510	2.2
109.10159	15.0
111.08054	4.2
117.07007	6.7
119.08572	18.6
121.09316	3.3
121.10139	40.3
123.08123	2.0
123.11687	4.6
131.06575	1.6
131.08580	15.1
133.10126	12.5
135.11688	39.2
137.13324	2.0
145.10112	15.2
147.11658	13.7
149.09648	2.9
149.12190	2.2
149.13255	28.1
151.11148	2.0
159.11656	13.7
161.13223	13.3
163.14830	19.1
173.13248	13.1
175.14819	5.7
177.16417	7.8
179.14250	2.9
187.14804	6.6
201.16411	2.7
215.18011	2.4
229.56680	1.8
243.21109	30.4
252.92487	1.6
261.22128	100.0
275.62704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
50.06362	0.3
52.30307	0.4
55.42180	0.4
56.05025	1.3
56.96571	1.9
58.06585	0.5
69.07063	1.3
70.06588	0.6
70.82977	1.0
71.55234	0.3
72.08149	0.8
82.06644	0.4
83.08257	0.3
84.04505	11.8
84.08150	4.4
84.96040	0.5
85.02902	1.3
85.08465	2.0
86.09704	100.0
87.10031	0.7
98.97563	0.7
102.05540	4.2
116.98631	1.1
128.98601	0.4
129.10228	0.6
130.04999	4.8
132.10204	2.1
134.99634	1.0
135.11700	0.3
141.03835	0.4
148.06047	18.6
150.05803	0.6
158.99692	1.0
167.08113	0.5
177.00719	1.0
189.00682	0.5
197.12787	2.5
201.00792	0.4
215.13916	0.7
219.01758	0.8
226.61089	0.4
229.03168	1.1
237.02731	0.8
243.04758	0.4
243.13417	2.7
261.03006	0.6
261.05838	12.4
261.14481	8.0
261.20035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05515	30.7
56.96568	14.9
57.07065	10.1
59.69115	2.9
65.03929	3.4
67.05494	20.1
69.03421	11.2
69.07063	29.1
70.03687	15.7
71.04984	6.6
74.62904	2.8
79.05495	14.0
81.07063	46.7
83.08603	15.9
85.06549	29.4
91.05483	27.5
93.07046	61.3
93.73283	2.8
95.04958	4.4
95.08606	64.9
95.55546	3.4
97.10155	5.0
98.21486	3.7
99.08101	7.6
103.05430	3.6
105.07037	52.7
105.59049	3.0
107.08588	76.2
109.06482	4.1
109.10152	45.4
113.09605	17.0
116.98618	4.3
117.07021	7.3
119.08584	52.8
121.00472	26.7
121.10165	75.2
123.11709	21.2
125.09644	7.2
129.07037	3.8
131.04793	3.3
131.08578	16.6
132.51013	2.6
133.10124	57.1
134.99641	3.2
135.11691	65.8
139.11166	7.1
143.01788	7.5
145.10118	30.1
147.11679	50.1
149.02348	5.0
149.13284	21.5
159.11687	35.1
161.13257	22.2
163.14822	8.9
167.99704	8.5
171.11716	3.4
172.00975	7.9
173.09622	4.2
173.13290	32.6
175.14847	5.7
177.00211	19.2
177.16420	8.5
187.14816	39.5
191.14407	3.6
191.17955	4.0
193.05028	4.9
199.01585	12.2
201.16353	20.4
203.17938	65.9
203.19739	5.1
205.15923	7.3
208.02110	5.2
215.17844	3.3
217.02579	24.8
226.03093	4.5
230.03395	10.6
239.03859	6.6
243.13792	3.6
243.21054	58.5
261.11188	12.6
261.18512	6.6
261.22211	100.0
261.25360	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	261.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85778	2.2
54.32540	2.3
55.05509	24.6
56.96558	2.4
57.03422	10.7
57.07071	14.9
59.17844	2.4
59.46021	3.2
60.15791	2.5
67.05490	12.2
69.06727	3.1
69.07069	36.1
71.08607	8.3
71.61319	4.5
75.04488	3.4
79.05493	17.0
81.07076	13.4
83.08621	21.2
85.10166	3.6
90.28666	2.8
91.05467	9.2
93.07053	15.3
95.04976	4.5
95.08586	11.6
97.06546	2.9
97.10171	18.7
101.33279	2.9
105.07020	6.6
107.08562	14.7
107.41539	2.4
109.10148	4.5
111.11710	5.9
119.08571	5.7
121.10141	11.1
133.10081	3.2
135.11658	6.9
136.93121	9.0
145.10167	6.6
147.11661	3.4
149.13254	3.6
154.94160	21.7
159.11702	5.6
161.13148	2.9
163.14801	5.4
171.11742	2.7
172.95232	100.0
172.96735	5.6
173.13240	3.5
190.96281	67.8
195.96838	11.0
213.97891	3.3
228.97861	35.9
243.21103	8.3
246.98921	47.0
261.03775	2.6
261.11136	3.6
261.22089	26.1
262.14566	4.2
270.00620	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	261.112
Annotation	Linderane
Peak:m/z	Relative Intensity
69.03409	2.4
69.89902	2.3
69.90315	1.4
85.02878	0.7
91.05473	2.9
93.25202	0.7
98.04253	0.7
98.20737	0.8
105.07030	4.4
109.06483	0.7
115.05472	1.0
117.07013	4.5
119.01613	0.6
119.08563	1.1
121.06468	1.3
129.06999	2.6
130.07758	3.5
131.08537	2.1
133.06439	0.7
135.11652	0.8
142.92053	0.6
143.08530	2.2
145.10110	19.9
147.08047	1.3
149.09578	1.5
153.07010	1.3
154.07819	1.5
155.08569	10.4
157.06422	1.4
158.07271	27.7
159.07985	2.3
159.11685	1.0
169.10129	1.8
171.08008	3.3
172.08841	4.8
173.09618	17.5
175.07547	1.0
182.07309	1.1
185.06087	0.7
186.10458	1.5
187.07521	1.6
187.11151	2.2
191.10681	11.5
197.09592	3.1
199.11177	1.9
200.08232	1.0
215.10643	2.6
217.12212	1.2
225.09097	1.5
243.10139	14.9
261.11212	100.0
262.11710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	1.0
56.96564	7.2
57.03435	3.2
61.02911	2.0
70.66206	1.3
71.05304	2.9
73.02902	1.3
74.97559	1.1
84.04482	2.5
84.08135	5.5
85.02905	1.7
85.08464	2.7
86.09710	7.8
94.02548	1.4
98.97587	6.3
99.04440	1.4
106.67094	1.1
110.97554	1.3
113.03501	8.6
115.03908	1.4
116.98602	3.3
119.01904	2.4
128.98605	1.4
130.05000	1.9
133.03447	2.5
136.09637	1.1
139.18724	1.1
144.84195	1.1
148.06052	1.6
157.58864	1.1
165.00717	2.1
169.01111	1.7
171.02640	1.3
177.06200	1.2
187.00310	3.8
189.00676	1.3
195.04738	1.2
201.03688	3.6
205.01395	2.4
219.01712	1.6
229.03212	29.3
237.02835	2.7
243.04761	4.2
244.17508	1.4
261.05804	100.0
261.09375	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	261.0755
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.03935	2.4
55.01854	1.7
65.03916	1.1
67.05480	1.0
69.32163	10.3
71.01388	1.0
71.04978	1.1
71.08612	0.8
78.48957	1.0
79.05473	2.2
79.64642	0.8
81.03410	7.7
83.04969	2.4
85.02890	2.8
88.07606	1.2
91.05466	6.9
95.04955	3.0
96.33295	0.9
105.03397	1.3
105.07040	1.4
107.04949	100.0
109.02866	6.9
110.03651	5.9
111.04436	1.0
111.73782	0.8
115.05425	3.6
117.06967	2.7
119.04939	10.0
127.03908	12.7
128.06219	1.9
129.06972	2.7
131.04933	18.3
131.08533	2.2
137.05936	2.6
141.06976	5.9
142.07880	0.9
143.04893	2.4
143.08545	1.1
144.05702	11.8
145.06494	11.7
145.10136	1.9
147.04398	21.6
151.03857	2.2
155.08643	0.9
157.06436	1.6
158.07269	3.0
159.08046	6.4
161.05949	1.6
165.05511	1.5
169.06505	7.2
169.10101	1.3
171.04364	5.4
171.11646	2.0
172.05090	1.3
173.05980	17.6
173.09596	1.6
179.03412	10.3
185.05977	1.3
186.06805	1.1
187.07513	13.8
187.11171	1.0
189.05452	11.5
197.05971	11.0
197.09651	1.1
200.19986	1.2
201.05469	1.1
208.12830	0.9
215.07013	41.3
215.10475	1.9
217.04993	4.7
233.07944	1.2
243.06519	3.9
243.10037	2.0
261.07550	57.1
261.11072	6.1
261.18597	1.7
261.21597	1.3
262.08008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05515	0.5
56.05030	3.9
56.96569	1.1
58.06589	0.4
60.04527	0.5
60.08162	1.6
67.05497	1.2
69.03443	0.4
69.07071	0.8
70.06620	1.8
71.59057	0.3
71.59479	0.4
73.84464	0.3
83.06097	4.5
84.04086	0.3
84.04503	8.5
84.08141	100.0
85.02905	0.8
85.08489	0.5
86.06044	0.6
86.09704	11.6
88.03959	0.4
97.02840	0.4
98.97586	1.0
98.98435	0.3
100.07610	0.6
101.07159	0.7
101.10780	3.1
102.05555	0.8
102.09157	0.5
104.10727	0.5
109.02892	0.6
112.07573	0.5
114.05539	0.8
115.05838	0.6
116.07111	1.1
116.64767	0.3
116.98639	1.1
118.08707	0.6
119.01914	1.1
120.02039	0.7
128.07068	0.5
128.98668	0.4
129.04855	1.0
129.06552	0.5
129.10234	11.9
130.05023	1.1
130.08632	4.0
132.10191	2.5
132.95816	0.4
134.99629	1.0
146.99596	0.7
147.07629	1.3
147.11269	6.7
150.96840	0.4
157.04300	1.4
158.99556	0.4
161.02873	0.6
168.05931	0.4
173.55623	0.3
177.00792	0.6
183.08240	0.4
189.00755	0.4
196.14412	0.6
197.12848	3.6
197.16470	0.6
198.10800	0.4
200.04274	0.4
201.00694	0.4
216.11641	1.0
224.09117	0.6
225.12375	0.4
226.14247	0.4
229.03494	1.7
237.02763	0.7
242.10194	0.7
242.14963	5.2
242.18636	0.4
243.04781	0.4
243.13345	2.5
243.17067	8.0
260.07440	1.5
260.11090	1.6
260.19696	14.3
261.03397	0.7
261.05847	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.9
70.42658	1.2
98.97585	3.2
101.00856	1.1
116.98617	3.3
119.01921	8.4
120.02054	0.4
134.99692	2.0
135.52260	0.3
137.02946	2.5
153.00891	0.4
158.99870	0.5
161.26845	0.3
175.03008	0.5
177.00949	16.3
178.01054	0.6
179.00667	0.7
182.99982	0.6
193.04092	0.5
195.02116	0.4
201.00967	1.1
217.04102	2.1
218.03625	0.4
219.02008	22.0
220.02095	1.0
221.01732	2.7
225.00888	2.0
235.00221	0.4
237.98720	0.9
238.98386	0.5
243.01964	6.5
244.02014	0.6
261.03058	100.0
262.03174	5.5
263.03534	0.5
279.00455	2.8
284.04556	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.69096	1.1
55.01884	1.5
55.09792	1.1
56.96570	6.8
57.03428	2.9
61.02925	2.6
69.03411	1.4
70.98135	1.6
71.01346	1.4
71.30171	2.1
73.02914	2.2
73.61261	1.3
84.04520	1.5
84.08144	6.6
85.02909	3.2
85.08456	2.8
86.09708	13.8
98.97598	6.1
99.04451	2.4
113.03490	8.8
116.98601	2.4
119.01923	1.9
129.10207	2.0
130.04964	1.4
131.01944	2.2
133.03487	3.1
133.04977	1.5
144.58458	1.3
146.99664	2.7
147.07657	2.5
148.03889	2.1
148.06131	1.7
157.04477	3.1
159.45021	1.4
161.01227	1.6
169.01048	2.1
171.02669	2.4
179.01547	1.7
187.00331	2.6
195.04770	2.4
196.01312	1.4
201.03757	5.2
204.03386	2.1
205.01416	2.2
217.47194	1.3
221.05019	1.8
229.00952	1.7
229.03204	33.2
237.02786	2.9
243.04779	4.3
249.56676	1.4
261.05838	100.0
261.09402	25.4
269.87701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.01876	1.3
55.05508	0.7
56.05031	7.7
56.96562	2.5
57.03445	1.6
58.06595	1.3
60.08162	4.2
65.25067	0.6
67.05498	1.1
69.03446	1.2
69.07066	3.8
70.06596	5.3
70.17187	3.1
71.04978	1.0
71.06917	0.8
72.08154	4.9
72.75524	0.6
73.02917	1.2
79.39294	0.7
83.06104	34.1
84.03984	1.0
84.04505	48.1
84.08143	100.0
85.02906	2.7
85.08467	1.0
86.06076	1.3
86.09705	79.0
86.46964	0.7
88.03997	1.7
97.02899	1.7
97.84211	0.8
98.97596	3.1
100.07596	1.2
101.07124	4.4
101.10778	2.3
102.05565	2.1
104.10735	5.6
105.11086	1.2
106.11227	1.1
109.02869	1.2
110.97545	1.2
112.07589	0.9
114.05539	1.8
115.05906	1.2
116.07078	1.3
116.98600	1.9
118.08661	2.1
119.01912	2.1
120.01964	0.9
124.99995	0.7
127.00375	0.8
127.03883	1.0
128.04066	0.9
128.07127	1.1
128.98633	1.7
129.04834	3.3
129.06645	3.0
129.10243	14.1
130.05000	18.8
130.08636	8.1
131.11807	0.7
132.10205	14.0
134.99690	1.1
140.03435	1.1
141.06598	1.4
143.01810	1.2
143.11784	4.6
144.10184	1.2
146.99683	2.1
147.07643	25.3
147.11282	10.9
148.06061	2.0
157.04308	4.8
158.04527	1.0
158.99651	1.3
161.02930	1.7
167.08221	0.7
168.05849	1.1
170.99741	1.1
171.11256	1.3
173.03020	0.8
177.00766	1.6
183.08295	1.9
189.00697	2.0
190.22076	0.8
196.14456	5.0
197.12863	16.1
198.10791	2.4
201.00783	1.3
213.00769	0.8
214.10727	1.0
216.11726	3.4
219.01804	1.3
224.09187	0.9
225.12439	2.4
229.03249	2.7
235.31064	0.8
236.84967	0.8
237.02945	1.9
242.14996	31.0
243.13391	16.6
243.17067	6.5
255.03886	1.2
260.11392	3.3
260.16083	5.1
260.19681	16.9
260.22241	1.3
261.05869	11.7
267.61029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05029	5.4
56.96567	6.4
68.71722	1.8
69.07062	5.4
70.06596	2.4
71.59734	2.8
72.08162	3.0
74.02417	2.3
81.03431	1.6
83.06101	46.6
84.04503	64.6
84.08153	16.2
85.02905	3.8
86.09704	100.0
98.97594	3.0
101.07139	6.6
107.04953	10.7
109.32565	1.8
110.27325	1.8
116.98608	4.4
126.02234	6.5
129.06618	3.6
129.10225	3.8
130.05025	2.3
130.06546	6.3
130.08609	2.5
132.10223	25.4
134.99690	4.1
141.06557	1.9
143.11824	1.7
147.07658	1.9
157.07619	2.8
157.13376	7.2
161.09160	1.9
177.00655	1.9
196.14442	4.6
197.12871	26.3
198.11330	2.1
242.14986	47.8
243.13387	25.1
260.15964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05508	0.7
56.05031	7.7
56.96562	2.5
57.03445	1.6
58.06595	1.3
60.08162	4.2
65.25067	0.6
67.05498	1.1
69.03446	1.2
69.07066	3.8
70.06596	5.3
70.17187	3.1
71.04978	1.0
71.06917	0.8
72.08154	4.9
72.75524	0.6
73.02917	1.2
79.39294	0.7
83.06104	34.1
84.03984	1.0
84.04505	48.1
84.08143	100.0
85.02906	2.7
85.08467	1.0
86.06076	1.3
86.09705	79.0
86.46964	0.7
88.03997	1.7
97.02899	1.7
97.84211	0.8
98.97596	3.1
100.07596	1.2
101.07124	4.4
101.10778	2.3
102.05565	2.1
104.10735	5.6
105.11086	1.2
106.11227	1.1
109.02869	1.2
110.97545	1.2
112.07589	0.9
114.05539	1.8
115.05906	1.2
116.07078	1.3
116.98600	1.9
118.08661	2.1
119.01912	2.1
120.01964	0.9
124.99995	0.7
127.00375	0.8
127.03883	1.0
128.04066	0.9
128.07127	1.1
128.98633	1.7
129.04834	3.3
129.06645	3.0
129.10243	14.1
130.05000	18.8
130.08636	8.1
131.11807	0.7
132.10205	14.0
134.99690	1.1
140.03435	1.1
141.06598	1.4
143.01810	1.2
143.11784	4.6
144.10184	1.2
146.99683	2.1
147.07643	25.3
147.11282	10.9
148.06061	2.0
157.04308	4.8
158.04527	1.0
158.99651	1.3
161.02930	1.7
167.08221	0.7
168.05849	1.1
170.99741	1.1
171.11256	1.3
173.03020	0.8
177.00766	1.6
183.08295	1.9
189.00697	2.0
190.22076	0.8
196.14456	5.0
197.12863	16.1
198.10791	2.4
201.00783	1.3
213.00769	0.8
214.10727	1.0
216.11726	3.4
219.01804	1.3
224.09187	0.9
225.12439	2.4
229.03249	2.7
235.31064	0.8
236.84967	0.8
237.02945	1.9
242.14996	31.0
243.13391	16.6
243.17067	6.5
255.03886	1.2
260.11392	3.3
260.16083	5.1
260.19681	16.9
260.22241	1.3
261.05869	11.7
267.61029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03931	2.7
55.01862	4.9
55.05512	14.0
55.78801	1.4
56.96569	8.7
57.03423	4.1
57.07061	5.6
67.05174	1.8
67.05508	27.2
69.03415	3.1
69.07070	28.4
71.59824	3.2
79.05495	24.6
81.03419	2.8
81.07061	38.9
83.04965	3.8
83.08604	5.8
86.09685	6.1
89.03916	4.4
91.05465	18.1
91.23026	2.0
93.07040	30.2
95.04958	5.3
95.08040	3.4
95.08606	43.3
97.06533	74.0
97.10147	1.7
98.06856	2.3
98.97570	3.7
105.07025	26.5
107.04939	4.1
107.08597	31.4
107.14341	1.9
109.06530	5.3
109.10160	59.2
111.08105	5.9
114.05529	3.1
117.03381	3.9
117.06999	5.5
119.04946	1.9
119.07798	2.7
119.08588	36.9
121.06490	2.1
121.10149	41.0
123.08055	3.1
123.11708	46.8
125.09634	2.9
128.06218	3.8
129.06992	8.1
130.07819	2.5
131.08577	13.7
133.02840	4.0
133.10123	23.4
135.04390	6.4
135.08012	2.7
135.11673	11.4
137.09601	37.1
139.11198	2.4
141.06949	5.0
142.03285	2.1
142.07768	5.4
143.08568	14.8
144.09363	2.4
145.02838	4.2
145.10133	38.5
147.11687	13.1
149.09619	4.7
149.13235	3.0
151.11250	3.2
155.08426	1.9
156.09329	4.2
157.10121	18.9
158.10887	2.5
159.04419	3.5
159.11699	32.9
161.02336	11.3
161.09618	3.4
161.13240	6.9
163.03920	33.5
163.11122	3.9
165.12738	5.3
167.08589	2.8
169.06526	2.7
169.10179	2.7
170.07251	2.0
171.08047	2.0
171.11658	12.1
173.02353	31.5
173.13315	14.2
174.13911	2.2
175.11150	4.0
175.14825	5.0
185.05971	2.3
185.09631	5.2
185.13249	14.6
187.07462	1.9
187.14700	2.8
189.09096	3.7
189.12744	6.8
191.14320	2.6
195.08032	2.4
199.07533	4.1
199.14828	11.7
201.16391	47.0
203.14314	6.8
213.09081	5.5
215.07045	31.6
215.17982	12.7
216.07384	2.0
217.08562	2.2
217.16005	2.3
231.21112	3.3
241.08589	5.3
241.19505	18.6
242.13388	1.8
259.05927	3.1
259.09625	25.7
259.12543	2.3
259.13312	2.5
259.20581	100.0
260.16562	2.0
260.20981	2.1
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
55.01876	1.3
55.05508	6.9
57.03413	0.9
57.07071	4.1
67.05505	15.6
69.07069	6.1
69.36465	6.0
71.04987	1.9
72.73113	0.6
76.59740	0.7
79.05058	1.2
79.05492	14.1
81.07059	17.9
83.04958	2.3
83.08610	3.1
85.06548	4.3
87.91713	0.6
91.05480	30.9
93.07040	14.9
95.04956	1.8
95.08604	12.3
97.06534	5.5
97.10163	0.8
99.08087	2.2
103.05461	1.0
105.07030	45.6
107.08588	10.7
109.06533	1.1
109.10154	5.6
111.08074	2.9
115.05450	1.2
117.07007	14.1
119.08578	28.2
121.06523	1.4
121.10146	8.0
123.08069	0.8
123.11668	1.9
125.09613	0.7
128.06209	2.3
129.07004	10.2
130.07773	0.8
131.08566	20.5
133.10132	23.7
135.08022	2.1
135.11688	4.9
137.09622	1.4
141.07050	1.1
142.07748	1.7
143.08553	8.8
145.09030	1.3
145.10118	17.1
147.08018	1.4
147.10519	0.9
147.11691	15.2
149.09647	2.5
149.13246	4.7
155.08539	1.0
157.10136	9.1
159.11691	19.1
161.09607	2.0
161.13254	25.0
163.11188	1.9
163.14799	2.2
171.11681	16.6
173.13263	14.5
175.11188	2.6
175.14824	25.6
177.12732	2.8
183.11800	0.9
185.13242	13.2
187.14839	4.5
189.12761	2.7
189.16319	1.1
199.14824	8.3
201.16400	1.5
203.14360	1.2
208.03415	0.6
213.16377	4.7
215.17935	4.8
217.15813	1.0
231.17432	1.7
231.21017	3.3
241.19510	43.6
242.19762	0.8
259.20572	100.0
259.28125	4.7
260.20883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.6
57.07064	3.8
62.95724	4.2
67.05500	10.1
69.07057	32.3
71.04971	23.0
71.05337	8.1
79.05473	3.7
81.07059	26.1
83.04978	6.7
83.08612	5.5
85.06548	26.2
91.05453	16.7
93.07062	16.8
95.08598	18.2
97.06533	5.0
105.03386	10.0
105.07025	30.1
107.07970	3.2
107.08576	23.9
109.06491	7.7
109.10145	17.7
111.08086	10.6
117.07008	6.6
119.08575	55.3
121.10146	17.0
123.08028	4.2
123.11697	25.6
128.68651	3.5
129.07057	5.1
131.08578	15.1
133.10115	42.2
135.08052	13.2
135.11679	6.8
142.03209	4.6
143.08531	9.4
145.10117	42.3
147.11653	20.3
154.38316	3.5
157.10143	15.0
159.11700	38.7
161.13240	34.4
170.11014	4.0
171.11678	16.3
173.13252	11.0
175.11133	4.5
175.14825	100.0
175.16267	7.0
176.15608	3.6
184.20920	3.2
185.13246	18.8
189.12759	5.2
201.16368	28.3
203.14355	12.4
215.17976	5.0
241.19460	19.8
259.20572	94.6
259.23349	4.5
259.27319	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	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05672	2.2
55.01851	7.2
55.05516	11.3
56.96550	7.4
57.07071	5.3
57.95292	2.7
67.05219	1.9
67.05502	20.6
69.03434	2.6
69.07066	27.7
70.25474	8.8
71.04983	4.3
73.38683	2.9
73.63613	2.4
77.48704	2.0
79.05492	25.2
81.07050	20.4
83.08604	6.9
85.06536	11.7
89.03922	8.3
91.05485	19.4
93.07040	40.9
95.04969	5.8
95.08606	35.6
97.06529	88.0
97.58430	2.1
98.97555	4.4
99.08085	2.9
103.50681	2.3
105.03370	4.4
105.07021	28.9
107.04922	3.0
107.08588	29.2
109.10156	24.4
113.09663	3.2
114.21303	2.2
115.05441	3.4
116.75813	2.4
116.98627	5.4
117.07035	12.0
119.08586	44.1
121.10163	16.4
123.11689	5.5
124.10989	2.1
128.06265	2.9
129.06989	6.9
130.07771	3.4
131.08568	23.2
133.10127	44.6
135.04410	13.6
135.11705	13.5
141.06966	2.8
142.03217	2.3
142.07750	6.3
143.08583	13.8
144.09366	3.3
145.02820	7.9
145.10120	48.1
147.11690	16.1
151.10063	2.4
151.11157	13.5
156.09364	4.1
157.10143	19.9
158.10902	5.0
159.04451	2.6
159.11691	49.1
161.02345	8.6
161.09561	2.5
161.13184	5.3
163.03899	45.8
165.12735	6.4
170.10861	5.0
171.11650	20.5
172.12355	2.6
172.94337	2.5
173.00945	2.8
173.02354	37.0
173.13266	17.4
175.14758	2.1
185.13254	25.4
189.16388	6.2
190.95340	7.8
197.13132	3.2
199.14798	12.4
201.16370	100.0
202.16589	2.3
203.14221	2.7
203.17931	2.5
208.96114	2.5
213.16432	4.3
213.96909	4.1
215.07036	34.3
241.08586	2.3
241.19525	36.5
258.70471	2.2
259.06940	3.3
259.09567	23.8
259.17047	6.3
259.20569	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01865	4.0
55.05499	10.4
56.96557	4.8
57.07089	13.2
67.05495	26.1
69.03395	2.5
69.07061	12.8
69.47642	22.2
71.08632	17.1
72.08156	3.0
73.50726	2.7
77.61746	2.9
79.05491	29.4
81.07063	26.0
83.04990	3.8
83.08615	8.4
89.70776	2.5
91.05486	42.5
91.70887	2.7
93.07030	21.1
95.04967	4.7
95.08604	21.6
97.06532	11.9
99.08080	12.3
100.76486	2.8
105.07030	95.0
107.08590	12.1
109.06539	3.3
109.10158	7.5
115.05452	3.0
116.98603	4.4
117.07021	27.7
119.08569	26.7
121.06485	6.5
121.10148	9.6
123.08008	3.4
128.06190	6.4
129.07008	24.6
131.08588	25.5
133.10135	19.1
134.99646	2.5
135.08066	6.2
135.11745	5.9
142.07744	5.3
143.08553	28.4
145.10117	34.1
147.08089	5.4
147.11700	26.3
149.09711	2.8
157.10115	19.2
159.11710	19.1
161.09615	4.1
161.13264	33.9
163.03867	4.7
165.37158	2.5
171.11674	24.9
173.13257	18.9
175.11212	4.0
175.14844	18.3
177.12769	5.1
185.13240	18.0
187.14821	4.9
189.12730	8.3
190.95242	5.4
191.14331	3.0
199.14780	15.3
203.14299	2.7
213.16380	4.7
231.21028	4.3
241.19501	37.1
243.26283	2.7
255.14326	2.8
259.16946	10.7
259.20590	100.0
259.23425	5.8
259.28253	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	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.5
57.07060	3.7
61.49382	2.0
67.05505	15.1
68.06452	1.8
69.07066	34.2
70.11624	4.5
70.12036	8.3
71.04991	22.4
76.96266	1.8
79.05493	7.0
81.07052	17.8
83.04984	5.0
83.08620	11.1
85.06548	18.8
91.05499	11.2
91.94478	1.9
93.07047	17.2
95.04960	3.8
95.08599	20.6
97.06530	8.8
105.03400	3.6
105.07035	20.9
107.08591	22.2
109.06507	7.9
109.10143	14.0
111.08076	11.2
112.85492	1.8
117.07022	5.4
119.07783	3.3
119.08580	42.8
121.10147	17.0
123.11699	17.9
129.06992	3.7
131.08585	13.9
133.10132	25.8
135.08067	11.9
135.11674	6.0
137.09610	3.6
142.07819	1.9
143.08571	6.9
144.09354	3.4
145.10117	28.8
147.11702	20.4
149.09636	3.0
149.13251	12.6
156.09378	3.1
157.10123	9.5
159.11674	24.8
160.12415	3.2
161.13254	27.7
163.11133	3.4
167.14320	6.1
171.11691	12.3
173.13351	9.5
175.11217	6.5
175.14828	76.3
176.15561	2.9
177.12758	3.5
177.16370	5.4
185.13271	15.0
189.12756	3.0
189.16383	7.2
199.14816	7.0
201.16383	23.5
203.14316	7.9
204.98918	2.1
215.18036	3.9
217.19594	3.5
241.19569	11.9
259.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85247	0.8
53.03948	1.3
53.54712	0.8
55.01864	2.2
55.05292	1.0
55.05516	10.1
57.03421	1.1
57.07084	6.7
67.05159	1.4
67.05508	21.9
69.07077	8.6
69.98128	0.9
71.05005	1.3
71.08611	3.2
71.59851	1.3
79.05495	18.8
81.07059	20.1
83.04980	1.8
83.08610	4.0
85.06545	1.7
85.70232	0.8
91.05484	30.6
93.06469	1.3
93.07047	23.7
94.08759	0.8
95.04963	3.8
95.08061	1.0
95.08613	15.9
97.06522	4.4
97.10168	1.3
99.08082	1.8
103.05505	1.3
105.07032	39.3
107.04962	3.0
107.08586	10.6
109.06511	2.3
109.10152	5.5
111.08078	2.1
115.05433	2.0
117.07018	14.6
119.08582	23.1
121.06510	3.3
121.10147	7.2
123.08069	1.7
123.11710	1.9
125.09594	1.2
128.06197	3.2
129.07011	16.4
131.08569	18.4
131.50381	1.0
133.06499	3.9
133.10130	16.3
135.08029	2.1
135.11719	4.7
137.09613	2.1
141.06993	1.7
142.03204	1.0
142.07794	2.7
143.08569	16.1
145.10141	11.2
147.08047	7.1
147.11687	18.1
149.09613	2.3
149.13261	3.8
151.11145	1.6
156.09235	1.1
157.10124	20.9
159.10518	1.5
159.11668	8.7
161.09631	4.5
161.13272	17.9
163.11195	2.8
163.14864	1.3
165.12741	1.1
169.10112	1.3
171.11684	15.3
173.13275	10.2
175.11226	5.3
175.14845	7.7
177.12744	2.9
179.14253	1.2
185.13268	11.2
187.14827	2.4
189.12721	11.6
189.16266	1.6
199.14816	7.7
203.14326	2.6
213.16347	2.1
215.17946	3.5
217.15741	1.6
217.19385	1.4
231.17503	1.3
231.21127	7.6
241.19510	29.4
259.20578	100.0
260.20984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02372	1.7
52.11414	1.4
55.01868	2.0
55.05506	12.4
55.52855	1.2
55.53181	1.5
55.59336	1.5
56.96557	2.9
57.03439	12.9
57.07067	6.4
59.93527	1.4
60.57088	1.3
64.16097	1.3
67.05160	2.0
67.05498	22.6
69.07060	12.0
71.04961	2.4
71.21098	3.3
71.41690	1.2
79.05491	19.8
81.07055	25.7
83.08611	7.7
85.06549	3.2
91.05479	47.2
93.07049	16.9
95.08604	21.1
95.23352	1.3
97.06512	5.6
97.10201	2.7
99.08092	4.5
103.05431	2.6
105.07027	67.4
107.08591	13.9
107.26652	1.4
109.06501	2.0
109.10176	3.6
111.08083	1.5
113.09648	1.4
115.05434	4.1
117.06210	3.0
117.07016	58.0
118.13554	1.3
119.08573	50.6
121.10159	13.2
123.08047	1.6
125.09661	1.4
128.06219	7.8
129.06998	24.0
130.07765	4.0
131.08568	71.1
133.06435	1.5
133.10124	49.9
135.08022	2.1
135.11668	4.5
137.09621	2.0
141.06987	1.9
142.03221	1.8
142.07745	5.1
143.08554	25.7
145.10123	51.7
147.10503	2.3
147.11685	43.4
149.09621	3.3
149.13252	2.4
156.09377	2.9
157.10117	18.1
159.11691	87.7
160.12035	1.7
161.13245	16.9
163.03902	1.7
163.11143	2.9
166.25394	1.4
171.11687	32.6
173.11746	2.5
173.13255	50.8
175.14781	7.4
177.12665	2.1
185.13245	37.9
187.14821	54.7
190.95265	2.0
199.14835	22.0
201.16362	4.4
203.17946	2.7
213.16415	4.9
215.17938	2.0
231.21182	2.0
241.19505	43.6
259.20578	100.0
260.20868	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.93351	0.9
53.03925	1.7
53.60704	1.0
55.01858	4.3
55.05267	0.9
55.05514	15.5
57.03426	0.9
57.07068	8.1
64.46519	1.0
65.03921	1.2
67.05501	20.0
69.07066	9.8
69.25603	12.5
71.04991	1.4
71.08626	14.6
73.97680	1.2
79.05492	19.6
81.07053	19.2
81.29057	1.1
83.04959	3.0
83.08627	5.6
85.06518	2.7
87.18154	0.9
91.05481	34.4
93.07046	16.1
95.04961	3.2
95.08601	14.4
97.06516	10.6
97.10162	2.0
98.21500	2.3
98.83364	0.9
99.08099	10.6
103.05468	1.5
104.06253	1.0
105.07026	59.9
107.04934	4.2
107.08591	8.7
109.06502	2.7
109.10146	4.3
111.08088	5.3
113.09637	1.4
115.05447	3.1
117.07010	22.6
119.08574	20.4
121.06498	4.1
121.10097	5.5
123.08071	3.7
123.11721	1.1
127.11175	1.3
128.06229	6.1
129.06998	23.1
130.07803	1.4
131.08559	22.1
133.06471	4.6
133.10121	18.0
135.08020	4.2
135.11682	3.0
137.09671	1.9
141.06984	1.8
141.12749	1.4
142.07703	2.1
143.08543	26.0
145.10121	36.2
147.08060	4.2
147.11674	27.1
149.09564	4.8
149.13303	2.4
151.11195	1.1
157.10120	13.9
159.11688	11.8
161.09642	4.8
161.13248	29.6
163.11162	3.3
169.10081	1.0
171.11687	17.2
171.70032	1.0
173.02354	1.5
173.13254	15.3
175.11182	17.2
175.14771	11.6
177.12752	3.3
185.13246	18.7
187.14954	2.1
189.12679	8.5
199.14810	12.6
203.14345	3.3
213.16351	2.6
215.06989	2.0
215.17926	2.2
231.21086	4.8
241.08719	1.1
241.19502	41.1
255.14497	1.5
259.09702	2.4
259.20566	100.0
260.20996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05508	8.8
57.07054	3.2
57.64474	1.7
67.05508	10.1
69.06721	3.2
69.07068	38.5
69.37790	17.1
71.04991	27.3
79.05491	10.1
80.72488	1.7
81.06734	1.4
81.07050	15.7
83.04971	4.3
83.08607	5.2
84.86588	1.6
85.06123	1.9
85.06535	19.3
91.05453	10.5
93.07045	14.2
95.04961	4.4
95.08594	18.8
97.06539	4.7
98.21560	2.6
105.06380	2.3
105.07030	27.3
107.08581	20.8
109.06529	11.0
109.10140	15.5
111.08073	7.2
117.06989	7.2
119.08570	49.5
121.10153	16.4
123.11693	23.2
129.06970	2.5
130.09348	1.7
131.08556	17.1
133.10129	38.8
135.08051	11.6
135.11655	5.9
137.09618	3.8
142.07732	3.8
143.08559	7.0
144.09230	2.1
145.10121	40.2
147.11696	20.0
149.13214	1.9
156.09320	3.1
157.10158	11.9
159.11676	35.6
160.12395	3.8
161.13242	38.5
163.11221	2.7
170.10915	2.7
171.11688	14.5
173.13309	10.7
175.11208	4.0
175.14815	87.9
176.15562	2.7
177.12732	3.6
177.16309	4.6
185.13266	16.5
189.12750	6.0
189.16371	5.5
190.13495	2.5
194.74417	2.0
194.76740	1.9
199.14824	5.0
201.16368	29.1
203.14284	10.4
205.60828	2.0
215.17986	5.9
217.19441	3.2
241.19533	17.2
252.94342	1.7
259.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.6
55.05498	2.3
57.03439	1.5
67.05489	3.6
69.03414	2.1
69.07070	10.5
70.22581	2.8
70.22999	1.4
77.00894	2.0
79.05491	9.4
81.07034	3.5
83.08603	0.9
83.52084	0.8
89.03912	4.6
91.05463	3.2
93.07031	3.3
95.01952	1.1
95.04941	2.2
95.08598	3.6
97.06531	55.7
99.61183	0.8
105.07027	4.5
107.04931	1.2
107.08585	1.9
109.09093	0.8
109.10118	2.4
115.05463	1.1
117.03369	3.4
117.07016	2.0
119.08562	3.6
121.10117	2.7
123.58459	0.8
128.06212	1.6
129.06967	2.6
131.08553	2.8
133.02792	2.0
133.06512	1.3
133.10112	3.6
135.04420	7.0
137.09660	0.9
141.06947	1.7
142.03253	1.0
142.07730	1.7
143.08572	2.0
145.02820	4.4
145.10136	3.2
147.04417	1.5
147.11665	1.5
157.10118	2.6
159.04391	2.3
159.07959	1.0
159.11667	3.5
161.02338	8.9
161.05988	1.9
161.13313	1.5
163.03905	27.0
167.08611	1.5
169.06535	1.3
171.11678	2.1
173.02332	22.8
173.03841	1.1
173.13239	2.0
175.03941	1.2
175.14825	0.9
185.06111	1.2
185.09552	1.3
185.13237	2.8
187.07510	1.5
195.08061	1.4
197.06027	1.3
199.14819	0.9
201.16386	4.0
211.08189	1.4
213.09155	2.4
215.07022	26.3
215.17976	1.1
217.04948	4.8
229.09425	1.0
229.11758	1.9
231.10762	3.1
236.11391	1.7
237.13377	2.6
241.08549	2.8
241.19514	3.1
254.12320	3.1
255.14423	4.2
259.09692	19.4
259.12811	100.0
259.20462	5.4
260.13022	1.3
273.15247	1.3
281.63638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1331
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
51.06923	1.4
53.03936	3.1
55.01836	1.1
55.05501	2.4
56.96565	5.9
57.07086	5.8
67.05495	2.6
69.07070	3.6
71.08614	2.9
71.60315	1.4
72.08145	6.3
73.08494	2.1
77.21552	1.2
79.05482	6.5
81.07040	3.4
90.09180	4.7
91.05483	19.9
91.09520	1.6
93.07043	20.6
95.04974	9.5
95.08585	4.0
97.06530	3.8
98.97585	1.6
102.29514	1.1
103.05473	19.8
105.04549	2.0
105.07024	19.2
107.04974	7.4
107.08573	1.4
109.06584	1.2
109.10085	1.0
112.12538	1.0
112.52570	1.1
117.07008	1.9
119.08564	4.1
120.05748	1.8
121.06501	100.0
121.10108	1.2
123.08074	1.9
129.01796	1.6
129.07005	1.6
131.08545	4.0
133.06432	1.5
133.10095	4.2
134.99654	1.8
135.08031	5.2
137.05943	1.5
139.07541	4.4
142.03185	1.2
143.08522	1.5
145.10124	3.1
147.11673	1.7
147.50684	1.2
149.01218	3.7
149.76591	1.1
150.06752	3.0
151.07539	58.8
152.08308	6.7
157.10117	2.3
159.11708	3.3
161.13264	2.5
165.09111	32.9
165.16748	1.1
167.02246	2.4
171.11670	2.8
172.94223	1.6
173.02460	1.3
173.13257	1.8
175.30302	1.2
185.09634	1.2
185.13260	2.0
190.95363	3.3
199.14917	1.6
201.16377	3.1
213.97008	2.1
227.10649	1.4
241.19508	2.2
259.13297	66.8
259.16833	2.8
259.20636	9.9
259.28259	37.2
260.13898	1.3
260.34186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03934	2.1
55.01625	1.2
55.01871	18.2
55.05499	3.4
56.96558	1.6
57.03422	2.6
61.02940	0.8
67.05510	6.5
69.03407	3.3
69.07066	27.7
71.04978	0.8
71.17576	1.7
72.42847	0.9
73.02898	1.2
77.03879	0.9
79.05055	1.3
79.05489	18.8
81.03410	3.1
81.06700	0.7
81.07065	6.9
83.04990	1.4
83.08592	2.1
85.02912	1.3
85.06538	1.8
89.03912	11.4
91.05479	5.2
93.06526	0.7
93.07034	4.1
95.04972	3.9
95.08607	6.1
97.02902	1.2
97.06528	100.0
98.97590	1.0
99.08116	0.8
103.05474	0.9
105.03389	1.7
105.04535	1.0
105.07021	5.6
107.04961	4.1
107.08586	4.9
109.02823	0.8
109.06487	1.1
109.10136	3.4
115.05426	1.8
115.07585	1.8
116.98586	1.7
117.03374	11.2
117.06989	2.0
119.08562	6.4
121.10138	4.8
123.11637	1.1
127.03898	0.8
128.06224	1.3
129.06998	2.3
131.01883	1.3
131.04883	1.1
131.08549	4.9
133.02863	4.9
133.06471	1.6
133.10136	5.1
134.03610	2.7
134.99611	3.7
135.04416	22.1
135.11671	1.1
141.06953	2.2
142.07758	2.9
143.08539	2.8
145.02832	12.6
145.10132	4.5
147.04359	1.9
147.11693	3.3
149.02974	1.0
157.10138	3.1
159.04456	4.9
159.08089	1.4
159.11699	6.6
160.05084	0.9
161.01094	1.3
161.02332	14.6
161.05992	2.2
161.13242	1.3
162.03127	1.2
163.03900	81.0
163.14899	1.0
164.04268	0.9
167.08499	0.9
169.05130	1.6
169.06482	1.4
170.10852	1.2
171.04404	1.1
171.08101	1.4
171.11670	2.5
173.02350	36.6
173.13309	4.6
175.03857	1.6
175.11229	1.3
175.14900	1.6
177.00694	1.2
181.00153	1.2
183.11626	0.9
185.05966	1.7
185.09459	1.1
185.13278	3.4
187.03937	2.0
187.07436	1.6
189.09105	1.3
189.12971	0.9
191.03407	5.2
195.08072	1.9
197.05981	1.6
199.07549	1.9
199.14793	2.4
200.04698	1.1
201.16418	3.9
203.14232	1.2
203.17932	1.1
204.04166	2.0
211.10641	0.9
213.09128	3.6
213.16357	1.1
215.07018	43.3
215.17958	2.1
217.04958	28.8
217.08305	1.2
241.08533	4.6
241.19496	5.0
259.09659	48.0
259.17175	1.2
259.20584	10.4
259.24100	3.7
274.30954	0.9
278.44714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53724	0.9
51.90286	1.0
55.05499	1.5
56.05033	1.6
56.96566	7.0
67.04247	2.8
67.05521	1.8
69.03431	2.7
69.07058	1.4
69.28487	1.0
70.06599	4.0
70.75876	2.4
70.76254	1.5
72.08144	1.2
73.02930	1.1
74.00654	8.8
81.03415	1.8
84.04510	3.9
84.08141	7.3
85.02915	3.0
86.09710	3.7
86.50314	0.9
96.04449	1.0
96.08163	0.9
97.02888	3.7
98.97591	3.1
100.02201	96.9
109.01104	0.9
110.97513	1.1
114.05560	1.4
115.05499	1.6
116.10732	1.2
116.98633	3.6
118.03239	4.9
119.01964	1.3
123.96698	1.0
126.05557	1.3
127.06021	1.3
128.07095	1.3
129.10246	2.9
134.92082	1.0
134.99698	2.6
146.02704	100.0
147.03018	1.2
158.99661	1.2
161.05942	2.2
177.00740	1.8
178.04742	1.0
189.05490	1.8
199.02170	1.4
213.07005	21.6
213.08954	2.2
231.03036	2.0
231.06584	2.5
237.02859	1.1
257.39932	1.0
259.04269	4.6
259.07483	18.6
259.10052	4.8
259.13083	1.5
259.16766	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2064
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05499	3.5
57.07073	44.6
58.06590	0.8
62.06092	3.2
64.64385	0.6
67.05499	8.6
69.07069	2.0
69.62987	1.0
69.63393	3.4
71.08628	21.4
76.04001	100.0
79.05495	0.8
81.07053	8.7
83.08621	4.9
85.06514	0.7
85.09713	0.9
85.10186	12.1
87.20318	0.5
87.91505	0.7
95.08601	18.0
95.82930	0.6
97.06577	0.7
97.10164	1.9
99.11716	0.8
104.10739	1.1
109.10149	11.4
116.98604	0.8
123.11665	1.3
165.16409	1.2
183.17429	13.6
230.24733	1.2
240.26888	1.7
258.27908	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	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57574	1.5
54.31083	1.3
56.84925	1.5
56.96549	2.6
64.54935	1.5
70.06580	2.4
70.63716	3.0
72.08122	1.7
84.04500	2.6
84.08137	4.1
86.09683	2.0
98.97591	2.4
114.05548	4.9
116.98608	2.4
125.85900	1.5
135.65244	1.7
213.09148	2.0
216.54060	1.5
222.93149	1.8
226.30536	1.7
243.90413	1.7
259.04266	100.0
260.04675	2.0
275.85825	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45612	0.8
56.96564	6.9
61.01135	0.8
61.02922	1.6
67.05483	0.9
69.03415	2.5
69.07054	1.0
70.06581	1.8
71.58610	1.4
77.00885	0.9
84.04482	3.1
84.08115	4.2
85.02889	2.3
86.09698	2.3
88.99149	0.9
95.01939	1.0
97.02856	2.9
98.97577	3.0
100.02214	4.5
100.03956	1.1
101.00861	1.3
101.06983	0.7
110.97575	0.8
114.05493	1.1
116.98634	2.2
119.01912	11.5
126.99957	1.4
127.03862	1.2
128.98573	1.9
131.01863	3.0
133.03482	4.5
134.99652	1.7
137.02049	1.8
137.02962	3.6
139.00000	3.1
139.05087	0.8
140.03423	1.9
141.45419	0.8
142.03375	0.8
146.02733	4.9
146.99637	1.0
149.02945	2.7
151.04506	1.9
155.03085	1.0
158.04492	2.4
158.99640	1.1
171.01459	1.8
174.99329	1.6
175.00873	6.0
177.00769	1.8
177.02339	0.9
189.02477	6.9
193.00209	2.3
193.01958	3.4
199.02156	23.5
201.04425	1.8
208.02336	1.1
213.07063	1.1
217.01880	8.2
231.06714	1.1
235.03026	6.3
241.03218	10.1
241.11931	1.0
259.04260	100.0
259.16632	1.5
260.04755	1.1
277.04065	1.4
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
55.05515	6.2
57.07062	4.0
67.05506	7.3
69.07062	7.8
71.05279	1.6
71.05609	1.8
72.65018	1.1
76.12232	1.1
79.05476	4.0
81.06633	1.4
81.07059	15.1
83.08624	3.4
90.87974	1.0
91.05469	3.9
93.07037	13.2
95.08607	25.4
97.10194	1.2
100.34992	1.0
105.07026	12.9
107.08591	20.5
109.10152	13.7
111.11707	1.2
117.07027	2.6
119.08582	19.2
119.18108	1.0
121.10141	17.9
123.11713	7.4
131.08545	8.6
133.10135	15.6
135.11694	14.5
137.13243	2.3
143.08527	2.3
145.10127	18.1
147.11714	10.7
149.13263	10.0
157.10101	1.7
158.10899	2.0
159.11685	19.2
161.13242	11.4
163.14868	6.7
171.11594	1.3
173.13252	19.9
175.14810	5.8
185.13280	1.9
187.11105	1.1
187.14827	18.8
189.16393	1.2
199.14836	1.3
201.16388	16.8
213.16379	1.1
215.18011	5.6
229.19518	1.3
257.19229	2.8
257.22641	100.0
257.26929	3.0
258.22824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1101
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
55.01859	0.4
56.96568	2.5
57.03430	1.5
58.06594	0.9
59.07372	0.5
60.08162	9.2
61.02914	1.2
69.03434	3.0
69.92527	0.4
70.06581	0.9
71.07375	2.7
71.59904	0.4
73.02924	2.2
81.03406	0.8
84.04486	0.4
84.08125	0.8
84.96042	0.5
85.02420	0.5
85.02902	4.9
86.09704	17.5
87.04456	0.7
87.56674	0.3
97.02885	3.9
98.97569	2.6
98.98466	2.9
99.04462	0.8
100.99117	0.4
101.00816	0.3
104.01276	0.6
104.10742	100.0
109.02940	0.4
110.01272	0.7
110.07164	0.9
110.97560	0.5
112.99127	0.3
114.05518	0.5
115.06721	0.3
116.07065	0.5
116.98635	2.0
117.57852	0.3
119.01860	3.0
125.00002	22.1
126.05647	0.4
126.06554	0.7
127.03919	1.9
128.02318	1.2
128.98587	0.8
129.10208	0.4
131.00166	1.0
131.01816	0.7
132.95819	0.4
134.99675	0.8
137.02901	0.5
140.02296	0.7
142.02066	0.3
143.01053	0.7
145.03467	0.8
145.04950	0.5
146.99648	1.6
147.03018	0.6
149.01257	1.4
149.02840	0.9
150.96915	0.6
154.02171	0.3
155.02855	0.4
156.03569	0.5
158.03224	0.3
158.99661	0.9
161.01205	0.7
161.02933	1.0
162.99088	0.3
163.04501	0.3
165.00713	0.7
168.03590	1.2
173.01315	0.6
173.02939	0.7
174.03212	0.5
177.00711	0.8
177.02580	0.5
177.04112	6.6
177.05522	0.6
177.54295	0.3
178.04936	1.4
182.03371	0.8
184.07335	10.3
186.04605	0.7
188.54962	0.4
189.00670	1.0
190.98643	0.6
191.02290	0.4
191.03896	1.1
193.00261	0.4
199.03596	0.5
200.04485	1.0
201.00757	0.3
208.99724	1.0
212.04533	0.4
219.01772	0.9
221.04988	0.5
232.99780	1.0
234.98909	0.4
235.06825	0.3
237.02791	0.7
240.05782	0.4
249.06218	0.8
258.11041	16.9
258.14374	1.7
258.57019	0.3
279.03967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01863	3.2
55.05499	9.0
56.96554	4.9
57.07069	5.8
67.05508	17.6
69.03429	3.3
69.07056	6.4
70.80176	4.5
71.04998	3.2
72.08145	4.1
79.05487	12.5
81.07056	24.9
83.05004	3.7
83.08602	4.4
83.27862	2.7
85.06530	4.4
91.05486	15.2
93.07037	25.0
95.04961	4.8
95.08609	22.6
97.06499	6.0
98.97578	7.8
100.11256	7.2
104.10718	4.8
105.07034	28.9
107.08590	26.3
109.06509	6.1
109.10152	23.1
111.08056	4.9
113.60428	2.4
116.98616	10.4
117.07042	5.5
119.08578	43.6
121.10140	37.1
123.11708	11.7
125.09671	2.1
128.06238	6.0
129.06998	11.8
131.08530	14.9
133.10127	15.3
134.92908	2.1
134.99611	16.3
135.08067	6.5
135.11707	6.6
137.09570	13.1
141.07014	3.8
142.07732	12.8
143.08553	29.5
144.09337	3.2
145.10100	15.2
147.11697	5.3
149.01241	2.4
149.09601	4.9
151.11188	9.4
152.37167	2.0
155.08578	6.3
156.09364	9.7
157.10124	45.6
159.11685	20.6
161.13228	18.1
169.10161	8.4
170.10883	3.9
171.11710	21.3
173.13257	15.1
173.16556	4.5
177.00786	4.1
178.63133	2.3
181.10022	4.0
182.10889	2.5
183.11743	12.6
184.12515	8.9
185.13199	4.3
185.74757	2.3
191.02318	2.7
197.13275	13.9
199.14816	100.0
201.12796	6.3
201.19673	2.6
211.14824	3.2
214.17230	2.4
215.17937	6.5
224.15700	3.1
237.02847	2.9
239.07135	2.4
239.17953	18.9
257.04416	4.3
257.08020	6.9
257.19046	73.7
257.22250	8.9
257.26807	6.9
258.19247	3.0
274.97455	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03949	1.0
55.01858	2.4
55.05303	0.9
55.05514	9.9
55.76403	0.7
56.30324	0.6
56.96556	3.0
57.03432	1.0
57.07067	1.7
59.12422	0.7
64.55674	0.6
65.03937	1.3
67.05157	1.3
67.05502	13.3
69.03424	0.8
69.07067	7.3
69.83441	1.3
69.83843	3.2
71.04981	1.4
71.08588	0.8
79.05489	12.7
79.36475	0.8
81.07056	14.2
83.04991	2.1
83.08598	2.1
85.06565	0.9
91.05476	19.6
93.07040	12.6
95.04957	3.1
95.08606	11.2
97.06537	1.5
97.10162	2.3
98.97579	4.7
103.05442	1.3
105.07027	19.3
107.04952	5.0
107.08599	8.0
109.06494	4.1
109.10163	3.9
111.08073	0.8
115.05450	2.0
116.06283	1.6
116.98613	7.1
117.07018	12.0
119.08580	11.0
121.06476	3.7
121.10140	5.6
123.08014	1.4
123.11688	0.7
125.23412	0.7
128.06224	3.0
129.06984	9.3
130.07762	1.9
131.04903	1.6
131.08562	34.0
133.06493	9.3
133.10124	8.6
134.99661	7.1
135.08029	2.0
135.11691	2.0
141.06931	3.4
142.07750	2.2
143.08549	9.6
144.05728	1.7
144.09328	1.2
145.06480	13.3
145.10124	25.5
146.07266	1.0
147.08061	10.8
147.11679	6.0
149.09592	2.3
149.13263	1.1
153.00691	1.5
154.07790	1.4
155.08554	5.1
156.09282	0.8
157.10130	9.6
158.07303	2.0
159.08070	11.3
159.11679	10.6
161.09610	14.7
161.13257	2.3
163.11189	2.4
167.08517	1.3
168.09383	1.2
169.10100	7.7
171.11707	6.8
172.08813	1.0
173.09630	17.7
173.13245	4.4
175.11172	9.6
175.14793	0.7
177.12848	1.0
181.10062	0.8
183.11690	7.5
185.13266	2.7
187.11191	10.4
187.14795	2.2
189.12709	3.2
190.95354	0.9
191.14308	0.8
195.11720	0.9
197.13272	5.2
199.14842	2.6
201.12747	8.8
211.14790	1.5
213.16525	1.3
215.14320	4.7
215.17973	2.0
229.15898	1.3
229.19441	4.4
239.17932	11.5
257.04315	0.8
257.19006	100.0
257.26700	2.1
258.19366	2.9
258.27899	3.4
258.93427	0.7
274.97549	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05514	10.3
56.96566	5.1
57.03442	12.1
57.07070	10.6
59.04992	2.1
67.05508	21.3
69.07072	14.4
70.06606	3.6
71.08630	3.3
71.29488	3.8
72.08163	16.4
79.05492	15.5
81.07055	19.3
81.16811	1.7
82.88398	1.7
83.08619	5.8
85.06542	2.7
88.07640	3.4
90.09185	11.2
91.05466	19.2
93.07042	13.3
95.04991	2.2
95.08604	25.9
98.97588	14.5
99.08102	4.9
103.05460	1.6
105.07032	26.6
105.69765	1.7
107.08608	14.5
109.06521	4.0
109.10152	10.1
115.05460	2.5
116.06313	2.4
116.98618	16.3
117.07014	34.4
119.08575	22.4
121.10155	11.6
123.11729	4.6
128.06229	6.0
129.07016	33.3
129.07956	1.5
130.07819	4.4
131.08574	38.1
133.10136	14.6
134.99666	20.2
135.11714	5.4
139.11195	1.7
141.06993	5.5
142.07811	6.8
143.08554	23.1
144.09320	3.3
145.06459	2.2
145.10127	58.5
147.08014	2.1
147.11693	13.6
149.13280	7.6
153.00711	4.5
155.08539	10.6
156.09383	4.3
157.10121	27.9
158.01315	2.7
159.11685	40.9
160.05377	1.8
161.09570	2.6
161.13229	9.0
169.10117	14.4
171.07027	1.6
171.11717	12.3
173.09714	1.9
173.13245	24.3
175.11183	4.8
183.11714	18.6
185.13254	74.7
186.13576	2.1
187.11203	3.9
187.14801	10.0
190.95435	2.4
197.13266	11.4
199.14816	9.2
201.12799	3.0
201.16374	11.2
203.47202	2.2
211.14784	5.5
213.16422	3.3
214.17186	3.3
215.17981	4.0
229.08701	1.8
229.19516	6.5
239.17984	27.9
257.19031	100.0
257.22635	46.7
257.26703	40.2
258.19458	2.3
258.27930	95.6
274.97577	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05507	7.9
56.96567	5.3
57.03435	15.7
57.07066	2.0
61.35458	0.9
67.05171	1.1
67.05505	16.8
69.07068	7.6
69.89478	4.3
70.06588	2.3
71.04996	1.6
71.08612	1.3
79.05485	9.3
81.07056	13.2
83.04974	1.3
83.08625	7.2
85.06536	2.8
88.07624	3.4
91.05473	19.4
91.06007	1.5
93.07043	9.4
94.11457	0.8
95.04972	2.5
95.08611	13.4
98.97584	8.3
99.08085	7.4
102.09145	2.5
103.05436	1.3
105.07029	15.8
107.08605	4.9
107.09217	0.8
109.06530	1.4
109.10168	2.5
115.05445	3.8
116.06206	2.0
116.69527	0.8
116.98622	13.7
117.07014	45.7
119.08588	12.5
121.10141	3.0
128.06210	7.4
129.06999	37.5
130.07765	3.7
131.08568	37.9
133.09267	0.9
133.10094	5.9
134.99664	13.2
135.11650	1.7
141.06967	6.6
142.07761	5.7
143.08560	30.3
143.45172	0.9
144.09312	3.2
144.52339	0.9
145.06453	1.2
145.10120	68.1
146.10416	1.6
147.08055	1.1
147.11694	6.2
149.09634	1.1
153.00706	3.6
154.07770	1.5
155.08540	8.0
156.09364	1.8
157.10124	33.8
158.01270	1.1
159.11696	53.2
161.09624	2.4
161.13255	2.1
163.11206	2.1
168.09367	1.8
169.10127	17.3
170.10873	2.2
171.11684	16.9
173.13264	18.2
175.11186	3.2
182.10899	1.1
183.11702	19.0
184.12167	1.2
185.13257	100.0
186.13608	2.1
187.11226	2.4
187.14755	1.5
190.95340	1.3
197.13269	13.6
199.14894	2.2
201.12593	1.4
201.16335	4.9
210.14003	2.1
211.14828	7.2
213.16420	2.3
215.14314	1.4
215.17896	1.0
229.15926	0.9
229.19528	5.5
232.96490	1.7
239.17943	35.0
250.97470	1.2
256.96432	1.3
257.19006	94.6
257.26639	22.6
258.19217	1.9
274.97565	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
55.98996	1.3
56.96566	11.8
57.03428	1.9
57.07064	3.6
59.04970	3.0
60.98602	1.1
65.03940	2.3
65.29639	1.3
67.05503	11.3
69.07063	8.6
69.26661	12.3
71.04982	5.0
71.08598	1.9
79.05489	6.3
81.07049	9.0
83.04964	2.1
83.08631	2.8
84.08214	1.4
85.06523	4.6
91.05473	9.7
93.07039	14.8
94.75228	1.3
95.04951	4.2
95.08598	10.8
97.06496	2.1
97.10136	1.9
98.97578	14.4
99.08089	5.9
103.05463	1.6
104.93281	1.2
105.07034	20.8
107.08591	12.7
109.06525	7.6
109.10156	11.8
111.08070	3.5
115.05417	2.8
116.98620	25.6
117.07007	8.5
118.89546	1.4
119.08585	19.3
121.09303	2.5
121.10139	36.8
123.08092	3.5
128.06206	3.2
129.07025	7.3
130.07796	1.4
131.08571	22.1
133.10121	14.3
134.99651	31.0
135.08049	9.9
135.11685	3.8
137.09608	3.3
140.00134	1.4
141.06995	4.3
142.07793	7.2
143.08566	20.0
143.09641	1.0
144.09325	3.4
145.06407	1.6
145.10120	38.5
147.11691	3.8
149.09669	3.2
151.11160	3.6
153.00734	6.9
154.07770	1.8
155.08527	11.1
156.09312	3.2
157.10129	27.6
158.01230	2.9
158.10895	4.1
159.07964	2.6
159.11688	24.0
161.09677	3.6
163.11157	3.8
165.07040	1.8
168.09360	3.1
169.10144	13.9
170.10918	2.5
171.11690	10.5
172.08839	1.9
173.09619	6.1
173.13222	18.7
174.14001	1.5
175.11159	2.9
175.14848	3.1
181.10127	1.9
182.10886	2.4
183.11710	19.5
184.12416	3.9
185.13219	7.5
187.11176	13.6
187.14801	7.0
190.95407	2.5
194.30444	1.4
195.11719	1.7
196.12411	2.3
197.13260	14.9
199.12956	1.7
199.14819	34.8
201.12743	7.6
201.16481	2.7
209.13377	1.6
210.14066	2.1
211.14865	3.1
213.16391	8.2
214.17044	2.9
215.14352	2.7
215.17923	5.4
224.15617	2.7
229.19435	1.5
232.96362	1.8
239.17946	22.3
256.96439	1.9
257.08224	2.8
257.11826	2.7
257.19003	100.0
257.22528	4.8
257.26440	2.4
258.19360	4.3
274.97495	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01856	2.4
55.05508	11.2
56.96572	14.1
57.03438	2.4
57.07062	2.8
67.05500	15.5
69.03416	3.6
69.07052	7.7
70.42780	4.8
70.43159	3.7
71.04983	5.9
71.08594	2.2
79.05492	12.4
81.07072	14.7
83.04982	5.7
83.08603	3.6
85.06526	4.0
89.63448	2.0
91.05476	13.4
93.07037	25.7
95.04960	7.5
95.08611	24.3
97.06508	4.9
97.10155	2.7
98.97593	25.3
103.05486	2.1
105.07026	31.3
107.08601	26.6
109.06532	9.1
109.10159	18.8
111.08150	2.6
112.09485	2.1
116.24213	2.1
116.98621	35.1
117.07023	7.8
119.01904	3.2
119.08571	33.2
121.06493	2.9
121.10138	85.2
123.08073	3.6
124.05781	2.0
128.06230	3.1
129.07024	6.5
131.08569	23.1
133.10120	18.9
134.99654	40.3
135.08069	18.2
135.11690	6.5
137.09647	3.6
140.00142	3.0
142.07776	9.3
143.08551	17.7
144.09288	3.4
145.06438	3.4
145.10109	34.8
147.11671	7.1
149.01178	3.0
149.09578	3.6
149.13257	4.6
153.00694	11.6
155.08542	9.7
156.09370	3.7
157.10132	24.4
158.01244	2.9
158.10902	4.5
159.11671	20.8
161.13245	8.1
163.14856	2.7
168.09317	3.0
169.10181	10.7
169.11365	2.4
171.11713	12.6
173.09659	4.2
173.13258	23.9
175.11250	3.1
175.14807	4.4
182.10936	2.6
183.11674	16.1
184.12608	2.3
185.13266	4.1
187.11238	3.3
187.14769	9.8
188.21156	2.3
189.12701	2.4
195.11681	2.3
197.13278	10.8
199.14810	38.1
201.12741	3.5
201.16197	4.6
211.14789	2.3
213.16393	9.9
214.16963	3.1
215.14244	3.4
215.17964	6.9
222.60870	1.9
225.07689	2.0
229.19638	2.8
232.96451	4.9
235.78751	2.1
236.60327	2.2
239.17970	18.2
250.97404	2.4
256.96194	2.1
257.08167	3.8
257.19009	100.0
257.22610	28.7
257.25250	2.8
257.26566	5.8
258.19421	3.8
274.97513	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02389	1.0
53.03929	1.0
55.01862	1.8
55.05268	0.7
55.05507	9.7
56.35458	0.6
56.96558	1.5
57.03425	1.4
57.07069	1.0
65.03930	1.1
67.05501	22.2
69.03399	0.8
69.07057	6.0
70.66164	2.1
71.04979	1.4
79.05482	11.6
80.57218	0.7
81.07050	18.7
83.04982	1.3
83.08605	4.5
85.06562	1.8
91.05474	18.3
93.07045	11.9
95.04939	2.8
95.08042	1.2
95.08598	15.5
97.06508	3.5
97.10183	0.8
98.20879	0.8
98.97572	2.3
99.08105	1.0
99.92100	0.8
103.05425	0.9
105.07024	17.0
107.04942	1.7
107.08592	8.1
109.06456	1.7
109.10168	4.8
111.08073	1.0
115.05441	3.7
116.06225	1.0
116.98608	2.2
117.07009	31.0
117.07841	1.7
119.07801	1.1
119.08579	12.7
121.06460	1.3
121.10146	5.3
123.08035	1.9
125.09630	1.5
128.06194	4.5
129.06989	15.9
130.07809	4.3
131.08556	53.0
133.06474	4.0
133.10117	9.7
134.99603	1.8
135.08040	3.6
135.11661	2.2
137.09596	1.8
141.06973	6.3
142.07785	3.6
143.07475	1.3
143.08551	19.1
144.09241	1.0
145.06477	4.2
145.10114	79.5
146.10469	1.3
147.08057	3.6
147.11684	6.4
149.09599	2.0
149.13239	0.9
151.11148	1.6
153.06963	0.8
154.07764	1.0
155.08543	9.0
156.09288	2.2
157.10123	23.0
159.08112	3.9
159.11682	26.9
160.11958	0.7
161.09615	4.8
161.13229	4.1
163.11143	3.2
165.12691	0.9
167.08522	0.9
168.09348	2.2
169.10112	15.4
170.11026	0.8
171.11679	24.3
173.09706	3.7
173.13245	14.2
175.11174	5.2
175.14865	1.1
181.10150	0.8
182.10913	1.6
183.11679	14.2
185.13283	5.4
187.11159	6.9
187.14847	2.6
189.12727	2.1
196.12415	1.4
197.13260	12.6
199.14735	3.4
201.12712	4.4
210.14063	1.0
211.14764	5.1
213.16376	3.3
213.40857	0.7
215.14307	4.4
215.17905	2.2
218.88670	0.7
229.15865	0.8
229.19431	4.6
239.17935	34.8
240.18315	0.9
257.18985	100.0
258.19345	4.1
274.97766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01871	1.7
55.05511	6.6
56.96566	7.7
57.03431	1.9
57.07065	3.8
67.05503	12.0
69.03429	2.1
69.07064	12.0
71.04932	4.9
79.05483	10.1
81.03400	1.2
81.07054	18.4
83.04981	2.5
83.08613	3.5
85.06541	5.0
91.05476	11.4
93.07038	18.7
95.04943	6.9
95.08600	23.7
97.06520	3.4
98.97578	10.0
99.08080	2.4
105.07023	20.5
107.08588	18.7
109.06540	5.7
109.10131	14.2
111.08088	2.5
115.05483	2.4
116.98624	12.9
117.07017	5.7
119.08574	25.0
121.10126	29.3
121.10993	1.6
123.08053	3.6
123.11705	4.8
128.06230	3.3
129.07022	8.5
131.08580	11.7
133.10136	11.5
134.99649	13.5
135.08051	5.0
135.11702	2.8
137.09631	8.8
139.07568	1.6
141.06966	4.1
142.07767	11.5
143.08551	22.0
144.09308	3.6
145.10124	19.4
146.10814	1.4
147.11664	4.0
149.01216	1.5
149.09627	3.1
149.13263	2.2
151.11166	5.4
153.00722	4.2
155.08578	9.0
156.09360	11.5
157.10120	43.5
158.10913	4.5
159.08043	1.6
159.11670	14.4
161.09740	1.5
161.13240	9.5
163.05870	1.2
163.07417	1.5
163.11177	3.6
168.09309	2.0
169.10124	13.2
170.10913	5.5
171.11670	26.8
172.12370	1.3
173.09613	2.0
173.13245	12.9
175.11082	1.7
175.14783	1.7
177.00731	3.1
181.10010	1.8
182.10846	2.4
183.07967	2.1
183.11694	12.0
184.12442	10.4
185.13249	5.2
187.11197	2.7
187.14804	2.4
191.02107	1.6
195.11690	1.8
197.13275	11.7
199.14810	100.0
200.15230	4.0
201.12746	5.8
209.13223	2.2
210.14012	3.0
211.07578	3.2
211.14832	6.3
213.16347	3.1
214.17163	1.9
215.14322	3.7
215.17924	4.3
224.15656	2.7
229.15860	3.6
232.96533	1.8
239.17999	13.8
257.08118	2.9
257.15366	5.8
257.19009	68.5
257.26724	3.5
258.19318	2.9
274.97516	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	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.00151	1.1
55.01859	1.7
55.05514	6.0
56.55938	1.0
56.96562	5.8
57.03421	1.4
57.07063	2.4
61.47268	1.0
65.03899	1.2
67.05502	11.7
68.49525	1.0
69.03404	2.4
69.07074	8.0
71.04984	4.3
71.49243	1.7
79.05482	9.8
81.07053	12.9
83.01855	1.0
83.04960	3.6
83.08604	3.1
85.06521	5.8
91.05476	11.9
93.07040	16.1
93.64079	1.3
95.04961	5.8
95.08598	12.7
97.06523	2.9
98.97586	8.3
99.08069	1.9
103.05475	2.2
105.07026	25.6
107.08592	17.9
109.06536	7.1
109.10149	12.5
111.08073	3.6
115.05437	3.1
116.98629	11.0
117.07013	7.7
119.08582	21.5
121.06516	1.3
121.10140	70.8
123.08070	5.6
123.11705	3.1
123.90289	1.0
128.06178	3.4
129.06984	7.2
130.07771	1.9
131.08574	16.2
133.05034	1.1
133.10138	11.4
134.99663	10.5
135.07068	1.9
135.08040	16.7
135.11678	4.8
137.09592	5.1
140.07481	1.0
141.06929	2.1
141.12614	1.0
142.07765	6.9
143.08554	20.1
143.38010	1.1
144.09213	2.0
145.10126	25.0
147.08070	1.7
147.11668	4.6
149.09615	3.4
149.13281	1.3
151.11104	1.3
153.00725	2.9
155.08528	5.3
156.09322	4.1
157.10123	24.8
158.10896	4.6
159.08000	3.2
159.11703	23.4
161.09639	2.2
161.13226	2.9
163.11171	4.9
167.08716	1.3
168.09340	3.3
169.10115	11.8
170.10837	3.0
171.11691	12.9
172.12279	1.7
173.09590	2.4
173.13268	23.6
174.13982	1.5
175.11127	1.7
175.14745	1.7
177.12750	1.4
182.10851	1.8
183.11678	12.0
184.12457	3.5
185.13260	4.7
187.11133	4.1
187.14821	4.3
189.12704	3.0
195.11673	2.0
197.08434	1.2
197.13193	9.6
198.14035	1.2
199.14813	35.7
201.12750	8.8
209.13304	1.5
211.14871	2.6
213.16362	11.8
214.17160	2.2
215.14279	2.0
215.17915	8.7
224.15578	2.6
237.24486	1.3
239.17931	19.2
257.08243	5.5
257.18997	100.0
257.26672	2.7
258.19339	4.1
274.97495	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03927	1.2
54.35587	0.8
55.05511	10.6
57.07067	1.7
65.03916	1.2
65.41962	0.9
67.05499	24.2
69.07058	4.4
69.27753	9.7
71.04977	1.1
71.08626	1.1
79.05486	12.4
81.07060	14.8
83.08605	2.8
91.04952	1.5
91.05480	18.0
93.07043	11.5
95.04975	1.1
95.08054	1.1
95.08606	14.8
97.10173	1.3
98.21452	1.8
98.97571	2.9
105.06393	1.2
105.07033	22.2
107.08604	6.4
109.10130	4.6
111.06758	0.9
115.05421	2.5
116.06241	1.5
116.98611	2.8
117.07011	25.5
119.08572	13.2
121.10132	4.1
123.11709	1.4
128.06206	3.8
129.06995	11.2
130.07780	4.8
131.08566	38.7
131.91626	0.8
133.06493	2.0
133.10115	14.2
133.60036	0.8
134.99626	2.8
135.11674	1.8
137.09610	1.4
141.06970	4.4
142.07753	1.4
143.08545	13.7
144.09343	2.1
145.06451	4.1
145.10115	77.4
146.10454	1.3
147.08052	3.8
147.11694	10.4
154.07796	1.7
155.08560	6.0
156.09256	1.3
157.10114	14.3
158.10777	1.2
159.08075	2.1
159.11699	23.7
161.09595	2.9
161.13239	2.5
163.11148	1.6
167.08458	1.0
168.02426	0.8
168.09288	1.2
169.10106	11.2
171.11687	16.4
173.09584	2.4
173.13269	9.9
175.11179	3.4
182.10936	0.9
183.11665	10.1
185.13232	4.4
187.11194	10.3
187.14798	5.3
195.11736	1.6
195.15784	1.0
197.13263	10.3
199.14832	1.0
201.12726	1.8
210.14058	1.3
211.14838	2.5
213.16412	1.3
215.14339	3.3
215.17972	1.4
229.19514	41.4
239.17960	15.9
240.18315	1.0
244.25117	1.1
257.18994	100.0
257.30185	4.3
258.19412	2.4
274.97504	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
52.00731	0.8
53.03942	1.3
55.05508	4.8
56.96552	3.9
57.03432	1.4
57.07063	2.5
59.04986	1.2
66.69746	0.8
67.05506	8.4
69.07058	5.6
71.04977	3.0
71.08627	1.5
71.41836	1.1
71.95272	0.8
72.08144	3.7
79.05490	8.4
81.07053	7.2
83.05015	0.8
83.08616	2.0
85.06542	3.3
88.07626	1.8
90.09192	3.0
91.05487	9.1
93.07050	14.5
95.04955	4.0
95.08597	10.6
97.34525	0.8
98.97577	8.2
99.08073	1.0
103.05474	1.9
105.07030	23.8
107.08591	15.8
109.06506	5.6
109.10152	11.4
111.08064	2.7
113.89093	0.8
115.05364	1.1
116.98614	9.9
117.07029	6.4
119.07779	1.7
119.08580	21.4
121.06554	1.8
121.10142	86.1
122.10471	1.1
123.08081	5.6
123.11693	2.1
128.06212	3.3
128.27762	0.8
129.06963	5.7
130.07730	1.1
131.08566	14.7
133.10124	12.0
134.99660	8.7
135.08055	16.1
135.11671	4.2
137.09618	6.3
140.00136	1.0
141.06999	1.8
142.06779	1.0
142.07756	6.3
143.08566	19.9
144.09331	2.1
145.10115	20.4
147.08038	0.9
147.11673	3.7
149.09605	4.0
151.11195	2.0
153.00710	2.3
153.07086	2.0
155.08519	5.0
156.09351	3.6
157.10127	23.8
158.10881	3.3
159.08041	2.8
159.11687	18.0
161.09628	2.8
161.13292	2.5
163.11171	3.4
167.08505	1.3
168.09329	2.0
169.10133	9.9
169.90570	1.1
170.10867	1.5
171.11682	12.5
173.09624	2.9
173.13255	20.7
174.14021	2.8
175.11133	1.7
175.14793	3.2
177.12755	1.8
181.10063	1.0
182.10930	1.0
183.11703	11.1
184.12465	3.3
185.13234	3.1
187.11214	5.9
187.14819	4.1
189.12769	2.6
195.11754	1.9
196.12505	1.0
196.36813	0.9
197.13268	8.5
199.14819	38.0
200.15237	1.4
201.12770	8.3
208.96355	1.0
209.13310	2.0
210.14020	1.1
211.14792	1.5
213.16393	11.4
214.17096	2.7
215.14302	3.3
215.17934	8.7
220.66216	0.9
224.15565	1.2
232.96461	2.0
239.17940	15.2
242.24069	1.0
257.19009	100.0
257.26529	7.9
258.19397	2.6
258.27933	13.0
274.97476	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.92862	2.5
55.05497	7.7
56.96561	15.9
57.07064	3.9
60.38547	2.1
67.05509	16.4
68.48518	2.5
69.07057	10.6
69.96021	14.3
71.04178	2.2
71.04992	4.5
71.95231	2.4
78.31984	2.2
78.96577	2.7
79.05490	11.0
81.07058	15.7
81.73133	2.6
83.04977	4.0
83.08631	2.6
85.06535	4.7
91.05467	13.1
93.07040	20.3
95.04967	5.2
95.08608	13.5
97.06602	2.8
98.97577	35.9
105.07029	30.1
107.08587	17.6
109.06506	7.9
109.10163	12.2
115.05450	2.7
116.98619	56.1
117.07012	6.5
119.08569	29.3
121.10139	85.7
123.08047	4.1
123.11704	3.6
128.06139	3.9
129.07002	9.0
131.08565	17.6
133.10107	10.1
134.99654	64.6
135.08040	17.3
135.11766	3.2
137.09637	5.7
140.00189	4.4
141.06981	3.5
142.07793	8.9
143.08582	19.6
145.10120	30.4
147.11632	4.2
149.09593	4.4
153.00714	18.2
155.08476	5.7
156.09370	6.1
157.09079	3.1
157.10149	24.4
158.01254	8.8
158.10980	3.6
159.08063	5.4
159.11688	20.8
161.09587	3.9
161.13293	5.0
163.11174	5.9
169.10124	14.8
171.11667	11.1
173.09572	4.0
173.13271	22.8
182.10921	3.2
183.11665	11.5
184.10724	2.3
184.12473	4.9
185.13202	6.7
187.11166	5.8
187.14789	4.3
190.95453	4.4
195.11604	2.7
197.13271	10.4
199.14789	33.4
201.12761	8.2
208.96507	3.2
210.14084	2.7
213.16356	9.5
214.17278	2.8
215.14294	3.5
215.17984	7.0
228.88983	4.4
232.96568	3.7
239.17990	16.0
250.97481	4.0
256.96460	6.0
257.11578	7.2
257.19000	100.0
257.26721	8.0
260.26736	3.1
274.97452	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	257.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82730	2.8
52.28027	2.7
53.03930	3.4
55.01865	19.3
55.05515	18.3
55.93524	4.7
56.96555	10.1
57.03429	4.4
59.04997	2.6
60.13885	2.5
65.03944	2.5
67.05502	68.7
68.80811	2.7
69.03423	4.5
69.07054	12.0
69.98767	15.1
70.06582	10.1
71.04993	100.0
72.93810	3.6
76.89935	2.4
79.05492	37.5
79.05907	4.3
81.07050	47.6
81.56351	2.7
83.04967	7.4
83.08650	5.3
84.08149	4.3
85.02907	5.4
85.06541	31.9
86.09692	7.2
87.04448	5.2
90.35295	2.6
90.63544	2.6
90.69696	2.4
91.05476	49.3
91.30210	2.6
93.06460	5.0
93.07037	75.4
94.06579	2.5
95.04419	2.2
95.04966	12.0
95.08603	67.1
97.02887	5.7
97.06524	51.1
97.07543	2.9
98.97582	13.7
99.08101	3.9
101.06025	8.6
104.49611	3.0
105.07029	35.4
106.95776	2.4
107.08597	26.4
109.06523	4.3
109.10132	16.9
111.04449	9.7
111.08062	25.6
111.50771	2.4
112.07572	6.3
113.06065	2.9
116.98643	18.1
117.07020	11.8
119.08578	55.2
121.06519	6.4
121.10133	25.8
122.03697	2.8
123.08063	8.6
125.09682	3.5
129.05437	3.6
129.06999	6.1
131.08572	12.5
133.06488	9.4
133.10135	30.9
134.99664	21.0
135.08064	11.5
135.11661	6.0
137.05986	17.6
137.09622	19.3
139.07526	5.8
142.07724	3.0
143.08553	8.4
145.10179	4.6
146.99657	3.2
147.08067	7.8
147.11693	11.9
149.09685	3.9
151.07567	4.4
151.11131	7.5
153.00682	3.8
155.10660	8.5
157.10155	6.4
158.99609	3.2
159.11678	7.8
161.09657	5.1
161.13252	24.2
165.07011	3.6
165.09093	6.2
173.13179	5.0
175.11211	5.3
175.14822	44.1
177.00600	4.4
182.07265	3.1
185.13260	27.6
193.15865	6.5
203.14288	32.7
216.06529	4.8
221.15349	40.6
223.99895	6.5
227.08084	3.8
228.08875	5.8
229.08714	3.2
234.23907	2.8
234.99088	4.9
239.07138	3.4
239.16393	40.4
242.00980	4.7
251.99507	5.9
257.08099	6.0
257.12952	18.5
257.17532	9.8
257.26767	6.3
258.00876	3.1
270.00519	4.9
274.97522	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	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05507	1.4
55.93517	2.1
56.96561	4.6
57.03429	5.5
67.05497	2.9
69.03423	2.6
69.07088	1.9
69.95812	5.5
70.06587	2.8
71.05000	1.5
72.93756	1.4
75.04479	3.0
76.19504	1.1
79.05490	5.5
81.03423	1.7
81.07061	2.5
84.08142	2.7
85.02917	3.5
85.06597	1.3
86.09720	2.7
87.94925	1.2
90.94837	1.3
91.05482	4.1
93.07040	3.0
94.04166	1.4
95.04977	2.7
95.08593	2.2
97.02881	2.5
98.97579	4.0
103.05478	3.8
104.10766	1.7
105.07032	36.6
107.04963	7.5
107.06634	1.3
109.06535	2.0
109.10152	2.2
116.98621	5.6
122.03637	4.6
129.10249	1.6
131.08514	1.3
133.05469	1.9
133.06488	49.9
134.99687	6.7
137.05980	100.0
138.06387	1.4
141.06908	1.1
145.10126	1.6
155.08476	1.9
161.64627	1.1
163.07558	4.0
165.06973	1.9
165.09116	27.3
172.97662	1.2
173.09422	1.4
175.07544	3.7
177.00842	1.2
181.08644	2.8
183.08055	2.1
183.10161	3.8
185.13268	1.3
203.10741	1.8
208.23001	1.3
209.11696	1.6
211.07584	1.8
215.97038	1.5
221.11598	1.5
234.98924	2.3
257.08029	3.9
257.11850	1.9
257.22354	1.7
257.26752	4.9
273.25156	1.5
274.97598	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
55.01857	1.9
56.96549	0.7
57.03440	5.9
59.65048	0.5
68.31139	0.6
70.42300	1.8
75.04465	2.5
79.05499	4.5
90.35834	0.6
91.05465	1.8
94.04177	0.9
95.04952	0.9
103.05466	2.4
105.07029	33.6
106.01850	0.7
107.04963	3.3
109.06490	0.9
115.05437	0.8
116.98635	0.7
117.06958	0.7
121.06470	0.7
122.03642	4.2
124.05213	1.3
133.06490	47.3
134.06825	1.0
135.04419	0.7
135.07993	0.8
137.05975	100.0
138.06317	1.7
147.08122	0.7
151.07544	0.8
161.29248	0.6
163.07552	4.5
165.09113	24.3
175.07587	3.4
177.09076	0.7
181.08588	2.0
183.10121	4.4
198.97081	0.6
203.10635	1.2
209.11781	1.0
221.11786	2.4
239.12889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
56.96564	3.9
57.03434	6.3
64.83108	0.8
67.05486	2.4
69.03421	1.8
69.07034	1.6
69.65907	5.3
70.06577	2.0
71.04964	0.9
72.08144	0.9
75.04473	1.5
79.05485	5.7
81.03423	0.8
81.07051	2.1
84.04499	2.7
85.02901	1.2
85.06499	0.7
86.09691	5.9
90.94839	0.9
91.05486	4.5
93.07039	2.5
94.04195	0.9
95.04945	1.8
95.08598	1.6
97.02885	1.7
98.20716	1.2
98.97565	2.8
99.29002	0.7
103.05457	3.2
104.10679	1.2
105.07028	35.5
107.04938	3.1
107.08555	2.2
109.06547	1.0
115.05443	1.7
116.98610	3.2
117.07014	1.2
119.08578	1.6
121.06541	1.1
122.03647	4.2
124.05198	1.3
125.43246	0.8
133.06490	51.1
133.10103	1.4
134.99673	1.6
135.04454	1.0
135.08081	1.6
137.05977	100.0
138.06291	1.7
143.08600	0.9
161.13295	1.0
163.07544	4.7
165.09119	27.6
175.07553	3.4
175.11183	1.2
177.00668	1.5
177.09036	1.2
181.08600	2.2
183.10197	3.8
197.05931	1.0
197.12975	1.7
203.10699	1.7
209.11639	1.7
214.06725	1.7
221.11670	2.1
222.11882	0.8
234.98994	1.4
257.04355	0.9
257.06818	1.6
257.26569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03933	2.5
53.23593	1.4
55.01870	1.4
55.05490	5.5
56.96562	10.3
65.03932	3.5
67.05511	10.8
69.03416	3.5
69.07061	3.3
70.42355	4.0
70.42749	3.3
71.05000	2.5
73.02953	1.5
74.81902	1.8
79.05487	4.1
81.07039	7.6
82.02932	2.2
83.04980	10.9
83.08601	3.3
85.02897	3.0
88.69791	1.5
91.05449	3.4
92.05007	5.1
93.07056	3.6
94.06553	2.3
95.04955	3.3
95.08579	5.9
97.06542	2.4
98.97576	17.2
105.07022	5.9
106.06514	1.7
107.08580	4.8
109.10126	4.6
111.04461	4.6
116.98611	24.6
117.07023	3.8
119.08566	6.0
120.04449	1.6
121.10119	2.8
122.06061	2.9
123.11661	1.8
128.06239	2.5
129.07019	3.8
131.08559	5.5
134.99657	27.1
136.44298	1.7
137.09625	2.3
141.06963	2.8
142.07787	1.9
143.08539	6.4
145.10104	20.5
153.00703	7.6
153.05528	1.8
153.06927	1.7
154.06499	2.0
155.08618	3.0
156.08113	2.4
157.10121	5.6
158.01256	3.6
159.11694	7.5
160.07620	3.5
168.08099	2.4
169.08884	4.4
169.10210	4.0
171.11705	4.5
172.09935	3.2
173.13281	2.4
177.00674	2.0
183.11644	3.4
184.07692	2.4
184.11195	5.1
185.10751	3.8
185.13258	4.4
186.11502	10.0
187.08644	2.5
190.95366	3.2
197.08353	7.0
199.08659	6.1
199.14801	2.7
200.09433	5.7
201.13962	11.7
212.10661	12.2
212.20006	2.0
213.06569	5.3
213.10217	7.9
214.07350	2.5
214.11040	6.0
227.08168	3.8
228.08965	11.1
229.09961	12.1
229.13361	52.5
239.17958	4.4
240.10199	3.8
241.09743	5.3
242.10620	8.6
250.97568	2.3
257.08212	5.2
257.12857	100.0
257.18829	17.2
257.22586	2.0
257.26566	3.8
258.13217	2.2
274.97443	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	257.0443
Annotation	Lambertellin
Peak:m/z	Relative Intensity
55.01868	0.2
55.05506	0.3
56.96546	0.6
57.03424	0.2
57.07056	0.3
67.01858	0.7
67.05500	0.4
68.99778	0.7
69.07057	0.4
70.62384	0.3
70.62759	0.3
73.12893	0.2
74.82948	0.2
79.05483	0.4
81.07036	0.7
88.07623	0.3
91.05492	0.3
93.07049	0.3
95.08611	0.9
98.94081	0.2
98.97574	0.6
103.05454	0.3
105.07025	0.5
107.08601	0.2
109.10139	0.4
115.05435	0.4
116.98610	0.9
117.07023	0.7
118.87927	0.2
119.08526	0.2
121.02855	0.8
121.10133	0.4
123.11675	0.2
131.04909	0.5
131.08542	0.3
133.10117	0.2
134.99667	1.0
140.87692	0.2
143.08591	0.3
145.06471	0.6
145.10181	0.5
147.11697	0.3
153.00691	0.6
153.01874	0.8
155.04941	1.2
155.06052	0.3
159.04398	0.2
161.05988	0.2
173.05988	0.5
173.09738	0.2
183.04437	0.4
187.03885	0.3
191.03383	0.3
196.56410	0.1
199.14807	0.3
200.39742	0.2
201.05426	0.6
203.03394	45.2
204.03760	0.4
205.05101	0.2
211.03906	0.3
229.04959	13.5
230.05383	0.3
239.03394	0.3
239.18166	0.2
256.26373	1.1
257.04446	100.0
257.18927	0.5
257.26733	0.2
258.04782	1.5
274.97467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
53.23593	1.4
55.01870	1.4
55.05490	5.5
56.96562	10.3
65.03932	3.5
67.05511	10.8
69.03416	3.5
69.07061	3.3
70.42355	4.0
70.42749	3.3
71.05000	2.5
73.02953	1.5
74.81902	1.8
79.05487	4.1
81.07039	7.6
82.02932	2.2
83.04980	10.9
83.08601	3.3
85.02897	3.0
88.69791	1.5
91.05449	3.4
92.05007	5.1
93.07056	3.6
94.06553	2.3
95.04955	3.3
95.08579	5.9
97.06542	2.4
98.97576	17.2
105.07022	5.9
106.06514	1.7
107.08580	4.8
109.10126	4.6
111.04461	4.6
116.98611	24.6
117.07023	3.8
119.08566	6.0
120.04449	1.6
121.10119	2.8
122.06061	2.9
123.11661	1.8
128.06239	2.5
129.07019	3.8
131.08559	5.5
134.99657	27.1
136.44298	1.7
137.09625	2.3
141.06963	2.8
142.07787	1.9
143.08539	6.4
145.10104	20.5
153.00703	7.6
153.05528	1.8
153.06927	1.7
154.06499	2.0
155.08618	3.0
156.08113	2.4
157.10121	5.6
158.01256	3.6
159.11694	7.5
160.07620	3.5
168.08099	2.4
169.08884	4.4
169.10210	4.0
171.11705	4.5
172.09935	3.2
173.13281	2.4
177.00674	2.0
183.11644	3.4
184.07692	2.4
184.11195	5.1
185.10751	3.8
185.13258	4.4
186.11502	10.0
187.08644	2.5
190.95366	3.2
197.08353	7.0
199.08659	6.1
199.14801	2.7
200.09433	5.7
201.13962	11.7
212.10661	12.2
212.20006	2.0
213.06569	5.3
213.10217	7.9
214.07350	2.5
214.11040	6.0
227.08168	3.8
228.08965	11.1
229.09961	12.1
229.13361	52.5
239.17958	4.4
240.10199	3.8
241.09743	5.3
242.10620	8.6
250.97568	2.3
257.08212	5.2
257.12857	100.0
257.18829	17.2
257.22586	2.0
257.26566	3.8
258.13217	2.2
274.97443	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	256.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01881	0.8
55.05513	4.8
56.96573	1.3
57.03440	1.7
57.07070	1.4
62.06089	100.0
67.05503	15.6
67.56785	0.5
69.07066	4.5
69.41753	5.0
71.04980	1.2
71.08668	0.6
75.28808	0.5
79.05486	8.2
81.07058	21.5
83.04984	2.1
83.08620	3.8
91.05487	4.9
93.07043	10.9
95.04960	1.9
95.08617	5.2
97.06531	2.8
98.06057	0.9
98.97604	1.0
99.08118	0.7
105.07043	1.5
107.08592	6.5
109.06535	0.7
109.10128	1.2
111.08071	1.3
116.98621	1.5
117.07028	1.9
121.10143	1.9
123.11697	1.0
131.08571	2.6
133.10138	3.0
134.99652	0.8
135.11707	1.5
138.40640	0.6
149.13252	4.8
159.11700	2.6
176.14305	0.5
177.12729	1.1
183.13882	0.8
193.15866	0.6
195.13811	1.6
209.42365	0.5
210.18546	1.2
238.18010	74.4
239.16396	10.1
239.18596	0.6
256.19089	7.3
256.26294	3.0
258.95676	0.6
274.97528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01870	2.6
55.05481	0.2
57.03435	4.5
58.79912	0.2
59.04996	0.4
61.02919	1.2
65.58237	0.2
69.03423	2.6
71.01347	1.4
71.58433	0.4
73.02919	2.6
74.74326	0.2
78.92169	0.2
80.05005	1.8
81.04530	0.4
83.06102	0.9
84.08163	0.2
85.02898	3.4
86.06068	0.6
87.04470	0.8
94.06548	0.2
96.04487	1.4
97.02892	0.9
97.07667	0.4
103.03938	0.5
109.07617	0.3
114.05521	2.0
115.03941	1.8
119.01918	0.2
123.05554	2.4
124.03948	100.0
125.04298	0.6
127.05035	0.8
133.04951	3.2
155.08150	3.9
164.27806	0.2
189.05832	0.2
256.08096	0.3
256.12952	1.1
279.33557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01868	2.1
55.05491	4.4
56.96289	2.3
56.96560	27.1
57.03419	6.5
57.03664	1.3
61.02919	2.8
67.05499	1.5
69.03435	11.7
69.07044	5.6
71.04994	2.6
71.59874	1.6
71.60308	1.6
73.02895	5.7
74.97617	2.0
79.05501	2.2
81.03423	9.1
81.07024	3.0
84.96029	2.5
85.02896	19.8
87.04457	2.6
91.05460	4.5
93.07038	3.7
95.04962	1.4
95.08582	3.2
97.02898	16.4
98.97584	30.5
99.04465	2.5
103.05414	1.6
105.07067	6.8
107.08575	5.1
109.02850	5.4
112.99118	4.2
115.03918	2.6
116.98627	22.7
117.06992	2.0
119.08553	9.2
121.10121	2.1
123.08028	1.8
123.11745	2.0
125.09615	2.0
127.03910	4.9
128.98610	2.7
131.00172	8.5
131.08548	2.8
132.05176	4.2
133.06500	3.0
134.99631	11.7
135.11664	1.4
137.09610	1.8
141.05692	10.5
141.06645	2.1
143.00217	2.6
144.98013	2.0
145.04971	3.1
145.10114	4.9
146.99640	3.2
147.11667	7.9
149.01212	6.4
150.06200	35.0
150.56398	3.6
152.02382	1.7
152.56448	1.5
157.01729	3.2
157.08574	1.9
158.99634	9.3
159.06744	6.7
161.01166	4.0
161.56984	2.7
162.06258	1.7
165.12721	2.0
171.06741	2.5
173.01221	6.2
175.02779	6.8
175.07018	3.5
177.00708	15.4
177.06665	2.4
183.03232	2.1
183.06699	1.8
184.05908	1.8
184.07533	2.8
189.00723	1.8
189.12708	5.6
191.02237	7.0
192.07228	2.1
195.01752	2.3
195.06737	6.0
201.00681	6.4
202.65343	1.6
202.98724	1.5
204.07243	6.5
204.57303	1.5
207.03273	20.2
213.04532	2.3
213.07777	44.5
213.57878	8.7
219.01801	5.0
221.04889	2.7
222.08318	41.7
222.58517	6.3
225.04338	15.6
225.07724	10.8
233.59100	6.6
234.08275	28.4
234.58443	4.3
237.02856	1.9
237.08028	2.2
241.07515	1.5
243.08836	4.0
244.99713	4.1
245.08307	1.8
251.05893	2.2
254.59607	2.7
255.09082	2.4
256.07797	100.0
256.26465	7.9
256.57919	19.5
263.09500	15.9
265.08200	1.6
276.59167	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	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03913	1.3
55.01861	1.1
55.05511	4.1
56.96556	3.0
57.03421	1.0
57.07064	2.0
57.91552	0.7
64.10109	0.7
65.03925	0.8
67.05508	6.5
67.31934	0.8
69.03426	0.8
69.07065	5.2
70.93370	1.0
70.93708	1.7
71.04983	2.8
79.05487	7.0
81.07061	9.1
82.07358	0.8
83.04945	1.0
83.08585	2.1
85.06533	1.5
90.90150	0.9
91.05479	8.8
93.03721	0.9
93.07043	16.1
95.04939	3.1
95.08610	7.2
97.06531	6.6
97.10158	1.1
98.97577	5.0
98.98473	6.0
99.08097	1.1
103.05447	0.9
105.07026	15.2
107.08597	8.1
109.06503	9.1
109.10162	2.5
109.17924	0.9
109.32604	0.7
111.08087	2.2
112.99178	0.8
115.05446	1.4
116.98620	2.7
117.07011	3.6
119.08578	16.2
121.10104	5.0
123.08047	1.8
123.11662	0.8
128.06203	3.7
129.07030	5.0
131.00172	0.7
131.08578	5.6
133.06487	5.3
133.10112	8.1
134.99657	2.6
135.08055	11.4
135.11673	2.4
141.06996	6.1
142.07767	4.1
143.08556	14.8
145.10136	5.6
147.11690	2.0
149.09581	3.0
153.06981	2.2
154.07774	3.4
155.08559	11.3
156.09348	10.6
157.10120	17.0
158.10892	1.4
159.08118	0.6
159.11670	4.9
161.09631	1.8
165.06972	3.8
166.07840	1.3
167.08556	9.5
168.09334	3.2
169.10130	27.1
170.10880	5.7
171.11696	17.4
173.09645	1.0
173.13222	1.6
175.11174	1.5
177.00746	2.3
178.07857	1.1
179.08501	2.0
180.09335	2.6
181.10091	8.2
182.10918	20.8
183.11674	9.2
184.12502	2.4
185.09668	2.0
185.13237	9.6
187.11143	2.0
193.10115	3.0
194.10849	2.1
195.11702	10.6
196.12527	6.1
197.13252	65.8
198.13956	4.1
199.11179	9.9
199.14833	2.3
207.11714	8.2
208.12502	2.1
209.13281	2.6
211.14816	29.1
212.15625	9.3
213.12752	3.8
213.16380	31.4
222.14090	7.9
225.12781	3.1
227.06941	1.0
227.14127	1.4
227.18005	1.6
237.14296	1.0
237.16426	16.6
240.15012	1.0
255.06554	1.9
255.17432	100.0
256.17734	1.6
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
52.86374	1.6
55.05506	6.4
55.49248	1.6
56.96557	7.2
57.03425	1.8
57.07069	4.8
58.63591	1.6
65.95055	1.7
67.05493	7.5
69.07063	8.2
71.04992	1.9
71.59052	1.8
71.59523	2.5
75.41317	1.8
78.77757	2.0
79.05485	6.0
81.07055	7.7
83.04980	2.3
83.08618	2.4
85.06547	2.8
91.05463	6.6
93.07067	8.9
95.04935	3.1
95.08597	7.0
97.06528	2.7
98.97608	2.0
98.98465	14.1
105.07027	7.0
107.08569	10.3
109.06514	6.5
109.10167	3.9
115.05408	1.9
116.98615	4.5
117.07021	2.7
119.08592	11.4
121.10149	5.0
123.08097	2.2
128.06239	4.9
129.07004	3.7
131.08583	6.3
133.10138	10.3
134.99632	2.2
135.11732	3.5
141.07083	2.5
142.07790	6.7
143.08569	14.7
145.10095	4.3
146.99661	2.2
147.11681	4.0
149.09619	2.6
155.08563	9.7
156.09348	13.2
157.10127	14.0
159.08179	2.6
159.11691	10.6
166.07805	2.3
167.08560	6.8
169.10104	10.9
170.10930	4.1
171.08208	2.3
171.11682	23.5
173.09686	3.0
173.13281	3.3
180.09402	3.5
181.10107	7.5
182.10915	11.4
183.11662	8.9
184.12514	2.0
185.09602	2.3
185.13307	9.0
193.10164	3.8
195.11662	11.5
196.12460	2.7
197.09714	2.2
197.13257	40.1
198.10527	2.2
198.14070	3.1
199.11163	11.2
199.15022	2.2
202.27750	1.8
207.11758	10.9
208.12500	3.5
209.13319	4.0
211.14847	14.8
212.15611	12.8
212.17397	2.0
213.12842	9.2
213.16383	18.7
214.13588	2.5
222.14040	5.9
225.12778	4.4
227.07082	3.4
237.16316	16.3
240.15259	2.5
250.97632	2.3
255.06564	4.4
255.17471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03926	1.5
55.01877	3.0
55.05506	15.6
56.96553	2.8
57.03434	2.1
57.07069	3.5
65.03930	1.0
67.05503	27.9
68.17590	1.0
69.03414	5.4
69.07067	12.4
70.06605	1.0
70.23512	0.9
71.04989	9.1
73.52760	1.2
79.05487	12.4
79.16469	1.0
81.03395	2.4
81.07050	34.2
83.04987	6.7
83.08619	5.6
84.04502	1.1
85.02900	3.2
85.06538	4.0
86.06841	0.8
86.09720	0.9
91.05464	10.2
93.07040	22.9
95.04968	20.0
95.08601	100.0
97.02905	1.2
97.06527	15.5
97.10160	17.9
98.97570	2.4
98.98460	7.6
99.04443	5.1
99.08086	1.9
101.05970	1.2
105.07014	11.7
107.04929	1.5
107.08597	11.4
109.06528	8.9
109.10151	6.5
111.04475	1.2
111.08078	3.0
113.06017	4.7
113.09650	1.1
116.98637	3.5
117.07023	2.5
119.08594	9.1
121.03998	0.9
121.06487	7.4
121.10138	13.6
122.06832	1.2
123.04405	1.3
123.05601	1.6
123.08057	17.3
123.11723	1.6
125.05984	7.2
125.09612	2.3
128.98592	1.1
129.05518	1.2
129.07039	1.2
131.08557	7.3
133.10112	5.9
134.99644	2.8
135.08067	4.2
135.11705	3.4
137.05956	1.7
137.09604	1.7
139.07526	2.0
139.11147	1.3
141.05447	6.9
143.07024	3.7
143.08598	2.1
144.09280	1.2
145.10072	4.6
147.11694	4.3
149.09601	1.7
149.13228	9.5
151.07600	1.2
153.09236	1.2
155.07132	1.2
155.08482	1.3
157.10115	4.2
158.99686	1.8
159.06525	2.4
159.11708	12.2
161.13211	1.6
163.11266	1.2
165.06992	2.4
166.07785	1.2
169.08725	1.7
171.11763	1.2
173.09735	1.0
173.13249	8.0
177.00677	2.4
177.09183	1.8
177.12735	19.6
181.08569	1.4
181.10182	1.2
183.11673	1.8
191.10693	1.2
191.14278	12.5
195.08102	2.8
195.11772	1.0
195.13803	3.7
197.13214	2.1
199.11217	1.1
201.12732	3.8
214.08537	1.1
219.13826	10.1
220.46718	0.9
223.07471	1.5
227.07094	1.9
227.10509	1.3
237.14818	54.4
237.18666	1.7
240.07835	1.2
255.10284	3.3
255.15672	17.3
255.23203	1.3
267.49860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01862	8.9
55.05506	28.9
57.03181	3.8
57.03436	50.4
57.07067	8.0
67.05503	85.1
67.05865	4.1
69.03436	5.3
69.07066	31.1
70.87872	3.3
71.01339	8.8
71.05001	12.7
79.05492	76.9
81.03411	5.4
81.07055	50.7
82.41093	2.4
83.04988	19.7
83.08617	10.5
85.06536	10.0
86.37870	2.9
91.05492	36.6
93.07044	81.6
95.04969	12.6
95.08607	24.4
97.06534	32.5
97.10177	22.2
98.98454	15.6
99.04470	3.4
99.08088	4.7
105.07041	16.7
107.04930	8.6
107.08593	68.0
109.06515	5.6
109.10169	14.4
111.08073	3.6
111.11710	3.7
116.99478	2.5
117.07011	10.5
119.08577	18.2
121.06485	3.6
121.10156	15.5
123.08071	3.9
123.11710	3.6
124.03893	2.6
125.06011	6.4
125.09634	10.0
128.06166	3.1
129.07019	7.8
131.08577	5.8
133.10109	9.9
135.08060	7.2
135.11693	100.0
137.09669	5.2
139.07541	5.7
141.06978	5.2
143.08554	11.3
145.10109	21.4
147.08038	3.1
147.11687	6.0
153.12735	8.0
155.08568	8.3
157.10129	10.2
159.11678	5.9
163.11200	15.6
167.07111	3.4
167.08533	4.1
169.10162	9.8
171.11699	8.0
181.06436	3.1
181.10109	7.7
181.12204	15.8
182.10942	3.0
183.11798	5.5
185.13271	3.2
191.14352	5.7
193.10054	2.3
195.11723	15.3
197.13223	8.3
199.11205	3.2
209.05894	4.6
209.13272	6.9
211.14812	9.6
213.12785	3.6
213.16431	5.4
219.13705	4.3
227.06924	4.9
237.14534	2.7
237.16519	19.5
255.06422	13.4
255.15623	19.5
255.17502	32.8
255.20978	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	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	25.2
55.05512	53.2
56.96558	25.0
57.07066	24.3
67.05500	47.9
69.03419	19.1
69.07071	42.6
69.72861	29.7
69.73293	27.2
70.06586	10.3
71.04986	33.1
71.08624	9.3
75.33703	6.7
79.05500	58.9
81.07055	90.6
83.04983	25.9
83.08612	25.3
84.44175	7.5
85.02908	15.9
85.06531	20.4
87.04486	8.4
88.34814	8.6
91.05502	51.8
91.07119	9.1
91.89719	8.0
93.07049	80.9
95.04964	24.4
95.08597	65.9
97.06528	37.7
97.10181	10.0
98.86890	8.5
98.97581	21.3
98.98461	55.3
101.06008	7.9
103.05428	10.7
105.07044	54.9
107.04952	30.2
107.08596	46.1
109.06538	14.5
109.10163	24.9
111.04441	12.5
111.08076	16.7
115.05457	16.9
116.98632	21.8
117.07014	34.2
119.04970	8.2
119.08579	26.5
121.03989	85.1
121.06510	72.2
121.10130	22.9
121.63411	7.1
123.08035	18.0
125.05959	17.4
125.09635	35.2
127.07490	8.6
129.06999	15.2
131.05014	8.5
131.08575	52.1
133.06462	19.1
133.10127	16.5
134.99658	18.8
135.08066	30.4
138.06683	8.4
139.05046	54.2
139.07550	10.6
141.06947	10.4
143.08562	10.7
144.05690	16.7
145.10107	14.0
149.05989	17.8
149.09605	19.2
151.07565	19.1
151.11179	20.3
153.09058	13.3
158.07216	7.4
159.08060	40.9
159.11708	26.1
161.05899	17.5
161.09657	8.2
163.07524	10.9
164.02625	70.3
166.00571	26.9
166.06332	7.6
167.07024	17.4
173.06015	8.3
173.13269	20.9
175.07535	16.5
177.00684	12.9
177.09097	15.8
181.08607	86.9
182.01941	7.8
183.11693	10.9
187.07526	20.9
191.14253	14.6
192.02132	82.3
195.10239	24.2
201.12798	20.8
205.08575	9.3
207.10191	13.0
209.04716	100.0
209.11749	28.9
219.10138	33.2
219.13831	29.6
219.17345	10.4
223.08990	12.3
227.07108	14.6
232.09677	12.3
237.12485	20.2
237.14897	48.5
249.40565	7.5
250.45581	7.0
255.05147	17.1
255.13412	34.6
255.15897	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	255.0652
Annotation	Chrysin
Peak:m/z	Relative Intensity
50.76974	0.1
50.94925	0.1
55.05500	0.2
56.96547	0.1
58.48716	0.1
63.61475	0.1
67.01867	2.6
67.05495	0.3
68.99786	1.3
69.07071	0.2
69.18526	0.1
70.65717	0.4
79.05482	0.4
81.03412	0.1
81.07065	0.3
89.23534	0.1
91.05466	0.3
93.07051	0.4
93.40163	0.1
94.51833	0.1
95.04933	0.3
95.08585	0.3
98.98479	0.3
103.05476	2.9
105.03394	1.1
105.07036	0.1
107.08587	0.2
109.02872	0.1
111.00755	0.2
125.02292	0.2
125.24502	0.1
129.01833	0.4
129.03365	1.3
129.07019	0.2
135.11682	0.3
145.10147	0.1
147.04416	1.5
152.06210	0.2
153.01823	8.3
153.06946	0.4
171.02917	1.3
171.04318	0.2
171.11661	0.2
181.06456	0.2
183.68065	0.1
187.07545	0.4
209.05983	0.9
213.05490	0.5
213.61031	0.1
226.08400	0.1
227.06985	0.2
231.06532	0.4
237.05446	0.2
237.16544	0.1
255.06512	100.0
256.06860	1.3
276.42673	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	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
56.96577	1.1
57.03431	4.1
59.04983	0.8
61.02928	1.1
69.03424	1.9
70.21157	0.7
71.08872	1.6
72.45908	0.8
73.02914	3.7
78.03469	1.1
80.05012	3.1
85.02905	3.4
86.21864	0.9
93.28338	0.8
96.04510	1.0
96.92853	1.2
97.02884	2.1
106.02924	7.4
112.89592	1.1
115.03945	1.8
119.01949	1.5
123.05551	100.0
124.03934	8.2
124.05919	1.1
133.04970	3.2
176.02556	0.8
214.85503	0.9
255.06352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.05504	2.0
56.53949	0.8
56.96554	3.2
57.03444	5.5
57.07065	3.0
61.02908	3.2
63.78590	0.9
67.05517	1.3
69.03416	1.7
69.07070	2.1
69.93987	3.5
69.94393	1.8
73.02914	2.8
78.03463	1.1
80.05013	3.5
81.07044	2.1
82.54797	0.8
83.08608	1.6
85.02906	5.8
85.56165	0.9
96.04491	1.8
96.74431	0.9
97.02877	2.2
98.97617	1.0
98.98458	6.8
99.04519	1.4
105.21188	0.8
106.02925	6.4
107.08595	1.0
115.03939	1.8
116.98640	1.0
116.99503	1.2
119.01860	2.2
121.10162	0.8
123.05552	100.0
124.03959	8.5
133.04967	3.1
134.99626	0.9
144.99866	2.6
146.99730	0.9
160.97644	1.0
161.02878	1.1
172.95297	1.0
174.98537	2.6
185.03000	0.9
201.00124	1.1
201.32378	0.9
205.02026	0.9
230.86653	0.9
251.02528	1.2
255.06351	2.9
258.46512	0.9
274.04169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44812	0.3
55.01863	1.9
55.16356	0.4
56.96563	1.1
57.03437	4.0
59.04982	0.7
61.02908	1.5
69.03419	2.1
70.05910	0.3
71.01344	1.2
71.58466	0.4
71.58829	0.5
73.02919	1.9
78.03447	1.0
80.05009	2.7
85.02904	3.0
85.90915	0.4
87.04474	0.5
88.30132	0.4
94.92999	0.6
96.04490	1.3
96.92825	0.8
97.02878	1.4
98.98450	0.8
106.02923	6.8
110.07155	0.8
112.89582	1.0
115.03945	1.7
119.01962	0.9
123.05553	100.0
124.03951	4.9
127.03928	0.5
133.04956	2.5
138.05505	0.8
148.15195	0.4
161.03055	0.5
173.03023	0.4
185.02972	0.5
190.98528	0.4
203.04028	0.5
204.05527	0.5
208.99771	0.5
245.05040	0.4
255.06342	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.9
65.18941	1.8
69.03400	2.6
71.60142	3.2
73.02910	3.0
79.06311	1.5
80.04923	2.1
85.02903	2.6
94.82490	1.7
94.93042	2.1
106.02913	5.3
112.89633	9.6
123.05544	100.0
133.04951	1.9
138.05533	2.5
192.34254	1.8
212.96458	1.9
213.00063	3.1
231.01076	2.1
231.69737	1.7
254.97411	1.8
255.06233	5.0
267.16965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.1
60.08165	82.8
65.03941	5.9
69.07070	0.7
70.76934	2.1
72.08155	1.3
79.05482	0.9
81.03439	1.2
81.07046	0.6
84.04520	0.9
85.02882	0.9
91.05476	9.0
93.03395	10.4
93.07009	0.9
94.06525	0.7
95.04981	1.3
97.02891	1.2
98.97575	1.4
98.98493	3.6
103.05427	1.0
110.03640	1.6
111.04444	30.8
116.98647	1.0
117.03341	0.8
119.04936	5.1
121.06495	3.3
123.05517	0.8
125.05995	42.4
134.03632	1.2
134.99745	0.8
149.05981	83.2
151.07549	0.8
153.05467	100.0
154.05847	0.9
163.03960	1.1
177.05490	5.9
195.06534	60.5
230.97784	0.8
254.13896	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.3
57.29654	2.2
61.02913	8.4
63.22931	2.4
69.03448	2.6
69.91921	2.5
70.83917	5.6
70.84260	3.7
71.01344	12.0
75.04474	18.5
75.59566	2.4
77.19416	2.5
81.07090	3.1
87.04474	3.7
98.98458	14.2
103.03945	18.9
116.98609	3.9
131.03403	6.1
159.02902	61.2
187.02472	5.9
191.03465	4.1
191.25613	2.8
203.03516	2.9
206.27010	2.8
219.02861	5.1
219.05005	100.0
254.10007	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	5.8
58.26352	2.8
60.33575	2.7
61.02925	9.6
63.39297	2.5
69.38779	2.2
69.92735	14.0
71.01352	9.4
72.18011	2.2
75.04481	20.7
87.04462	4.7
87.91650	2.4
98.98466	9.8
103.03925	21.2
116.83558	2.4
120.08119	3.4
121.08440	3.1
123.97443	2.6
131.03400	7.2
137.06010	2.6
159.02878	69.7
182.00473	2.3
219.02876	5.7
219.04980	100.0
267.85922	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78343	2.8
55.05499	5.1
56.05009	3.5
56.96564	27.3
57.03439	5.9
59.94284	2.5
61.60144	2.8
64.43582	2.6
65.28221	2.7
69.03402	3.6
70.06594	18.6
70.26506	9.5
71.01357	21.1
75.04472	7.2
81.07047	14.8
81.86424	3.1
82.05329	3.5
83.06104	17.5
84.04510	5.3
84.08131	10.3
84.96024	2.7
86.09691	10.9
93.04521	7.7
95.06087	29.5
97.02881	4.0
98.06063	4.1
98.97581	5.5
98.98461	23.3
103.03944	5.7
107.06066	2.9
109.03914	2.5
110.07165	97.5
116.98648	4.2
117.01873	3.9
121.99873	12.8
123.04407	4.2
124.04733	3.4
131.03381	26.0
133.05002	2.9
134.01418	2.7
134.99670	3.9
136.07570	4.2
137.07916	5.8
141.01828	4.3
145.01329	3.8
145.04959	5.1
146.99695	6.5
148.04977	6.0
149.05989	3.1
151.03159	3.4
156.03935	3.2
156.07631	4.2
157.04964	10.8
159.02902	50.3
163.05830	4.0
163.12308	49.9
165.00607	3.6
172.95224	8.1
182.08093	3.7
183.08499	6.8
190.13475	19.8
190.96271	5.8
191.05603	22.1
193.00232	10.6
193.13411	6.3
208.14438	61.4
209.12910	3.3
219.04994	34.1
237.06177	47.5
237.12552	3.9
248.99200	5.2
254.11249	5.3
254.15002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03928	3.5
55.01849	3.3
55.05510	55.5
56.96565	79.2
57.03414	5.3
57.07069	17.2
58.31329	2.2
61.25054	2.1
65.03884	2.0
67.05176	4.0
67.05500	56.4
69.03419	3.6
69.07066	90.0
70.26954	9.2
71.04967	7.0
71.08612	4.5
71.95253	10.3
72.96030	4.2
73.86703	1.9
74.97621	2.6
79.05497	23.0
81.07055	87.5
83.04949	7.5
83.08143	3.4
83.08617	50.9
84.10693	2.4
85.06519	7.3
91.05489	27.9
93.07042	36.6
95.04957	5.3
95.08604	72.7
97.02871	3.3
97.06541	14.5
97.10175	42.8
98.98464	97.1
99.04447	2.7
99.08079	8.1
105.07031	25.6
107.04898	2.5
107.05721	2.1
107.08595	31.4
109.06503	5.0
109.10170	35.2
111.04416	2.7
111.08038	8.3
111.11695	15.8
113.09600	2.7
116.99480	5.0
119.08575	27.6
121.02856	2.5
121.10137	34.7
123.01210	2.8
123.08044	6.7
123.11671	15.9
125.09624	8.7
125.13287	4.0
128.98592	2.7
133.10129	26.2
135.07993	2.4
135.11696	26.9
137.02710	3.2
137.09595	8.3
137.13206	7.9
139.11150	6.1
141.02231	2.5
141.05405	3.9
146.99667	4.7
147.11684	21.8
149.13222	6.4
151.11183	6.3
151.14812	6.1
155.03773	5.0
157.10081	2.8
161.09610	2.8
161.13258	18.2
163.14795	8.2
165.12723	5.6
169.10074	2.5
175.14803	7.0
179.14276	4.2
183.03195	2.1
189.16356	9.3
191.17944	3.7
193.19504	7.5
197.08463	2.2
197.11693	5.3
217.19542	33.9
235.10094	6.9
235.16864	3.6
235.20517	21.9
241.11028	6.4
253.11081	90.1
253.19543	3.4
253.21597	17.6
254.11597	3.2
259.12274	10.8
271.12146	100.0
272.12592	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03929	3.7
55.05510	40.1
57.03408	3.4
57.07071	32.2
57.84624	2.2
67.05505	43.2
69.03426	4.9
69.07069	56.7
69.29854	22.9
69.30272	5.1
71.04984	5.4
71.08616	8.5
79.05489	15.2
81.07057	62.4
83.04966	6.2
83.08626	35.3
83.58746	2.4
85.06550	3.8
85.10181	5.8
91.05478	17.4
93.07047	28.0
95.04980	3.4
95.08047	4.3
95.08608	62.2
97.06520	8.6
97.10170	29.2
98.98465	100.0
99.08087	4.2
105.07026	16.6
107.08593	19.2
109.06476	3.8
109.10162	30.9
111.08081	6.9
111.11716	14.6
113.09637	6.8
116.99506	3.8
119.08575	16.7
121.10151	15.7
123.08020	3.8
123.11694	17.5
125.09631	4.0
125.13278	4.1
127.11188	4.4
133.10133	25.3
135.11700	14.0
137.09602	7.5
137.13232	8.1
139.11136	5.8
141.05421	4.1
147.11655	15.7
149.13307	3.6
151.11119	6.5
151.14798	4.9
157.19746	2.7
158.83987	2.3
161.13246	10.3
165.12727	3.4
175.14711	4.1
177.16338	3.6
179.10657	2.8
179.14301	3.1
185.85123	2.6
191.17940	3.5
193.19586	14.4
194.25627	2.7
197.11742	6.4
206.98785	2.7
217.19518	45.2
235.20586	28.8
253.14105	3.5
253.19513	5.4
253.25266	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03923	2.1
53.82607	1.0
55.05509	68.4
56.96576	1.2
57.03436	45.3
57.07073	17.4
59.05001	1.5
67.05503	65.7
69.03418	1.4
69.07066	100.0
69.54539	2.4
69.54953	4.1
71.04990	32.5
71.08636	7.7
73.06537	1.4
77.03887	1.0
77.71073	0.9
79.05493	16.9
81.07055	90.1
83.04974	3.3
83.08616	57.4
83.09350	1.1
83.28256	0.8
85.06544	14.6
85.10175	3.4
91.05467	13.8
93.07044	20.3
95.04959	1.8
95.08603	95.2
97.06526	5.7
97.10165	48.6
98.98464	14.4
99.08087	7.9
105.07041	13.8
107.08598	14.5
109.06503	1.8
109.10153	47.6
111.08075	4.3
111.11710	19.0
113.06026	1.0
113.09617	2.5
115.07570	0.9
116.99496	1.0
119.08580	15.3
120.59409	0.8
121.10137	17.2
123.08052	3.0
123.11699	21.5
123.48199	1.1
125.09631	4.7
125.13284	4.4
127.07645	1.0
127.11118	1.1
129.12733	1.3
130.72232	0.9
133.10121	14.2
135.11694	15.5
137.09608	3.2
137.13246	9.4
139.11200	6.6
147.11681	18.2
149.13268	5.8
151.11162	5.8
151.14812	5.3
153.12718	5.8
161.13239	12.4
163.14816	3.0
165.12753	6.3
169.12273	1.2
175.14833	3.8
179.14310	6.3
183.13763	1.3
184.31615	1.0
191.17952	1.5
193.15852	1.0
193.19530	3.6
207.21059	4.7
217.19530	15.0
225.22237	2.7
235.09442	1.0
235.20555	10.3
253.19441	1.3
253.21651	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	253.1798
Annotation	Mitchellene E
Peak:m/z	Relative Intensity
55.01852	4.9
55.05511	13.0
56.37050	1.3
56.96566	9.9
57.03431	2.1
57.07059	5.8
57.35328	1.2
59.67863	1.6
67.05501	23.9
69.03416	3.1
69.06776	1.5
69.07069	18.4
70.53041	2.5
70.53410	5.6
71.04963	2.6
73.02917	11.7
79.05493	17.2
81.07053	98.9
83.04976	2.8
83.08616	12.1
84.89280	1.4
85.02882	3.4
85.06522	1.8
91.05475	22.2
93.07039	34.9
95.04995	6.9
95.08599	46.4
97.02913	2.4
97.06508	6.3
97.10164	5.6
98.97523	3.2
98.98462	68.4
99.04413	1.8
105.07024	32.1
107.04950	1.9
107.08593	42.0
109.06499	4.4
109.10153	27.4
111.04487	1.7
111.08052	2.8
111.11684	2.5
115.05492	1.9
116.98629	4.1
116.99491	3.8
117.07012	3.4
119.08579	25.7
121.06484	4.7
121.10136	13.9
123.04419	3.1
123.08034	2.9
123.11694	5.1
125.05988	5.8
125.09603	3.9
129.07011	2.3
131.08559	5.1
133.06427	1.9
133.10130	29.2
134.99638	4.4
135.01208	1.6
135.08040	6.6
135.11688	10.0
137.05927	2.4
137.09576	2.7
139.07523	5.1
141.05457	1.6
141.07082	1.7
143.08502	3.9
145.10106	5.0
147.07997	3.9
147.11685	16.0
149.13278	5.4
151.07509	1.8
151.11220	3.1
153.00739	1.7
153.09100	10.6
155.08502	1.5
156.09299	1.5
157.10118	6.6
159.11659	4.6
161.01239	1.7
161.09598	3.6
161.13235	23.9
163.14819	100.0
165.09085	3.2
165.12778	1.7
165.16298	4.5
169.10060	3.2
171.10159	7.9
171.11630	3.4
173.13260	5.4
174.99242	2.7
175.11176	3.4
175.14789	4.7
176.98926	2.1
177.00607	1.9
179.10608	5.0
181.10042	1.9
183.11829	1.6
186.02617	1.4
189.16380	95.9
190.16710	1.6
197.11697	4.7
197.13307	1.8
199.14827	17.5
207.11797	1.4
207.17470	7.9
217.12399	3.6
217.15872	46.8
217.19174	2.3
223.17035	2.4
235.13316	3.0
235.16919	49.8
250.44803	1.5
251.50418	1.6
253.14091	8.7
253.17912	45.6
253.21741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.05266	0.7
55.05513	11.9
56.96558	1.1
57.03424	2.4
57.07079	3.1
57.07299	0.6
57.95476	0.5
58.06597	0.6
67.05166	1.0
67.05505	14.6
69.03428	0.8
69.07066	16.0
71.04996	1.7
71.08609	1.5
71.60463	0.7
73.12340	0.6
79.05487	5.7
81.07058	19.5
83.04986	1.6
83.08620	9.4
85.06543	2.5
91.05495	4.3
93.07034	8.1
95.04961	1.4
95.08608	16.5
97.06525	2.3
97.10172	7.7
97.19535	0.6
98.98464	100.0
99.08083	1.6
100.98859	1.2
103.67686	0.6
105.07021	4.7
107.08599	4.9
109.06489	0.7
109.10162	7.3
111.08091	2.1
111.11737	2.9
113.09654	0.7
116.99485	5.2
119.08575	4.6
121.10127	6.2
123.08056	0.8
123.11700	3.5
125.09642	1.2
125.13190	0.8
127.07589	0.6
133.10143	5.0
135.11671	7.1
137.09659	1.5
137.13257	1.5
139.11203	1.8
140.01085	1.5
141.05453	0.6
147.11646	3.5
149.13257	0.8
151.11201	1.1
151.14850	0.9
153.12753	0.9
161.13216	3.3
165.12747	1.4
171.04178	0.7
174.99237	1.9
175.14819	1.9
175.16336	0.6
176.98941	1.9
179.14388	1.5
191.17902	0.6
193.19585	1.1
197.06277	0.7
197.11717	1.8
206.98793	0.6
217.19516	5.7
235.16846	0.8
235.20557	4.8
253.04710	0.6
253.21596	4.7
253.23685	0.6
253.27068	0.8
268.52399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03935	4.0
55.01854	6.9
55.05513	11.4
56.96560	10.1
57.03420	4.9
57.07071	5.1
59.04960	1.7
65.03946	2.3
67.05505	21.4
69.03417	10.7
69.07066	13.0
69.96579	10.0
71.04990	15.0
79.05494	35.7
81.03414	5.0
81.07053	63.2
83.04972	9.7
83.08604	5.0
85.02901	6.4
85.06540	5.2
86.09660	2.2
91.05477	24.5
93.07043	49.1
95.04977	22.6
95.08608	26.5
97.02881	6.2
97.06519	18.9
98.98467	97.7
99.04428	10.0
99.08075	2.2
100.98878	2.0
103.05435	2.5
105.06379	3.2
105.07028	37.6
107.04964	9.6
107.08591	26.7
109.06515	38.4
109.10136	7.8
111.08067	8.1
113.05972	6.0
115.03983	1.7
115.05444	2.8
116.98637	4.4
116.99462	2.3
117.07014	6.6
119.01875	2.3
119.04937	2.7
119.08580	25.8
120.01827	2.2
121.06503	100.0
121.10148	6.7
123.04430	7.2
123.08045	8.5
123.11644	2.6
125.05979	6.7
125.09627	4.9
127.07565	15.1
128.06209	3.8
129.06995	9.7
131.08591	9.2
133.06470	6.8
133.10117	10.6
134.01292	1.8
134.99637	3.5
135.04375	6.1
135.08060	16.5
135.11671	2.7
137.05966	6.3
137.09538	3.3
139.07538	19.8
141.05467	4.2
142.07771	4.3
143.08577	12.5
145.06447	2.2
145.10124	8.3
146.99608	1.7
147.08084	8.3
147.11678	25.4
149.09612	4.7
151.07584	2.1
151.11134	2.5
155.08542	2.3
156.09370	5.7
157.06482	2.1
157.08719	3.2
157.10103	17.1
159.08060	2.7
159.11676	2.8
161.05913	1.9
161.09641	4.6
161.13254	16.1
163.07527	2.5
163.11221	1.9
165.06973	3.3
165.09050	2.2
165.12785	5.1
166.07773	6.2
171.08015	2.1
171.11716	22.0
173.09625	2.8
175.07495	2.0
175.11179	21.6
175.14856	2.1
177.00624	2.1
178.05855	2.6
179.07077	2.9
179.10614	1.7
181.10104	6.9
185.04727	2.0
186.05194	2.1
189.09062	1.9
189.12727	29.9
193.06535	2.2
193.12228	23.8
197.11699	4.0
199.11163	36.1
199.12849	3.0
207.13786	9.4
209.08051	2.4
210.06793	3.4
217.10149	4.3
217.12248	80.7
221.07765	3.0
225.09286	2.6
230.04172	2.4
235.09650	2.6
235.13297	37.0
253.08543	4.5
253.12320	3.1
253.14279	24.6
253.18051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03941	4.2
55.01864	4.7
55.05518	6.4
56.96553	1.7
57.07079	1.9
66.77061	1.1
67.05505	18.9
69.03432	4.2
69.07070	7.4
69.88520	4.4
71.04993	10.0
75.04488	1.2
79.05495	27.4
81.03430	1.1
81.07056	53.4
83.04985	6.9
83.08617	4.5
83.71219	1.1
85.02940	1.0
85.06551	5.3
87.04460	1.3
91.05482	18.9
93.07045	43.4
95.04966	15.3
95.08617	22.9
97.02906	1.9
97.06526	16.3
98.21358	1.3
98.98470	30.4
99.04448	7.9
103.05460	1.1
105.07027	30.6
107.04967	7.0
107.08596	21.5
109.06519	32.6
109.10163	7.8
111.04434	1.3
111.08081	4.2
113.06017	5.8
116.98628	1.3
116.99495	1.4
117.07027	3.3
119.04978	1.8
119.08594	19.2
119.14400	1.2
120.08024	1.2
121.06506	100.0
121.10130	5.0
123.04443	4.2
123.08062	5.3
123.11721	2.3
125.05979	3.8
127.07553	13.9
128.06232	3.4
129.06993	6.2
131.08569	5.0
133.06494	3.6
133.10141	10.9
135.04472	6.1
135.08037	8.9
135.11646	1.2
137.05986	4.6
137.09624	1.8
139.07538	18.7
141.05463	3.5
141.06993	1.8
142.07758	3.8
143.06967	1.7
143.08577	9.6
145.06464	1.3
145.10107	8.0
147.08055	3.9
147.11687	28.1
149.09682	1.6
151.11249	1.9
153.09097	1.1
155.08543	2.4
156.09344	4.0
157.08720	2.7
157.10143	14.2
159.06702	1.2
159.08046	2.3
160.08858	1.4
161.05962	1.5
161.09642	3.0
161.13239	11.8
163.14894	2.2
164.46895	1.1
165.06995	3.0
165.12712	5.4
166.07782	4.3
171.08055	2.0
171.11678	17.5
173.09624	2.5
173.13222	2.0
175.11194	20.2
181.10117	6.6
184.08862	2.9
189.12746	25.4
193.12231	20.9
195.47778	1.2
197.11679	1.5
199.11188	33.8
207.13791	9.8
211.13239	1.9
217.12242	79.1
218.12437	1.2
235.13293	34.6
253.08690	3.0
253.14322	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.82883	1.2
53.03946	2.9
55.01870	5.8
55.05509	11.3
56.96566	3.1
57.03415	2.1
57.07069	5.3
65.03942	1.4
67.05505	19.7
69.03435	8.4
69.07072	12.3
71.04992	13.3
71.33158	2.7
79.05493	30.3
81.03423	5.0
81.07056	60.0
83.04958	7.6
83.08620	4.5
85.02907	3.7
85.06542	5.1
87.95331	1.2
91.04610	1.6
91.05482	22.7
93.07042	50.6
95.04965	16.4
95.08605	28.3
97.02917	1.4
97.06541	21.7
97.10171	1.8
98.97604	3.1
98.98469	64.7
99.02067	1.9
99.04436	9.4
99.08099	1.6
101.05999	1.4
103.05494	1.8
104.88103	1.3
105.07027	31.8
107.04950	8.3
107.08597	24.0
109.02877	1.5
109.06518	32.4
109.10156	9.5
111.04447	2.5
111.08072	6.5
113.06006	4.9
115.05457	1.5
116.98662	3.4
116.99484	2.9
117.05473	1.3
117.07000	3.9
119.04905	3.6
119.08576	19.8
120.08057	1.8
121.06503	100.0
121.10154	6.1
123.04441	6.2
123.08086	7.3
123.11718	2.9
125.05993	4.4
127.07571	14.5
128.06221	3.0
129.06960	6.2
130.07803	2.2
131.08510	7.4
133.06497	4.3
133.10139	14.0
134.99681	2.5
135.04404	5.9
135.08051	10.4
135.11688	3.6
137.05986	5.8
137.09631	2.8
139.07538	23.0
141.05458	4.3
141.07019	2.6
142.07788	4.8
143.07024	2.3
143.08533	12.8
145.10132	8.7
147.08058	7.3
147.11682	28.9
149.09573	1.7
151.07634	2.5
151.11194	2.2
155.08478	2.9
156.09352	4.7
157.05038	1.6
157.06441	2.3
157.08742	2.2
157.10101	14.2
159.06633	1.4
159.08063	3.5
161.01215	2.0
161.05969	2.3
161.09648	2.9
161.13248	14.2
162.03636	1.3
165.07043	5.8
165.12772	5.1
166.07777	5.7
171.04169	5.6
171.08093	2.3
171.11705	20.0
173.09732	1.9
173.13264	2.5
175.11203	18.4
176.98863	1.6
179.10645	1.8
181.06525	1.8
181.10075	6.3
184.08842	2.9
189.12767	23.6
191.10582	1.4
193.04912	1.5
193.06453	2.3
193.10246	3.4
193.12270	19.3
197.11737	4.8
199.11180	29.3
199.13043	1.4
207.13803	10.2
207.26524	1.3
210.06804	2.0
217.12242	84.9
217.19658	1.4
221.05983	3.3
221.21129	1.3
225.09087	2.3
235.13293	40.0
235.16925	2.3
238.06313	2.7
244.91519	1.2
253.08495	12.3
253.12213	8.5
253.14426	20.6
253.17018	1.9
253.17485	1.3
253.21698	2.7
260.58136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03940	3.8
55.01854	7.1
55.05512	7.7
56.37743	1.6
56.96548	3.7
57.07072	2.8
67.05502	16.4
67.96603	1.6
69.03413	4.6
69.07072	10.1
70.35524	1.3
71.04987	10.9
71.30447	1.6
71.60448	3.2
73.79723	1.5
78.63422	1.3
79.05486	23.8
81.03406	2.5
81.07057	51.1
82.60938	1.3
83.04968	6.9
83.08595	3.7
85.06528	5.8
91.05476	17.6
93.07037	41.0
95.04972	16.5
95.08606	20.1
97.02913	1.8
97.06516	14.0
98.98465	40.7
98.99113	2.0
99.04465	7.2
103.05514	2.2
105.07020	25.1
107.04943	6.6
107.08584	18.6
109.06514	32.5
109.10136	5.1
111.08056	6.0
113.06025	3.0
115.05419	2.0
116.98650	2.3
116.99496	1.8
117.07014	6.2
119.08575	19.1
121.06501	100.0
121.10101	4.3
123.04420	7.6
123.08047	6.0
125.05983	4.4
127.07577	13.2
128.06215	2.8
129.06987	6.1
130.07817	1.6
131.08598	7.6
133.06433	2.7
133.10121	11.1
135.04417	5.6
135.08061	7.7
137.05956	4.3
137.09595	3.0
139.07535	21.6
141.05438	3.1
142.07762	5.4
143.08556	10.4
145.10165	7.8
147.08044	6.8
147.11693	25.5
149.09613	2.9
156.09358	3.3
157.06490	1.8
157.08691	2.9
157.10091	15.2
161.05940	3.2
161.09660	3.3
161.13258	13.7
163.14864	3.0
165.12758	4.5
166.07759	4.1
171.08067	2.4
171.11707	16.7
173.09595	2.1
173.13266	3.0
175.07600	2.1
175.11215	17.2
181.10126	4.6
184.08850	2.0
189.12746	22.0
191.10831	1.5
193.12270	16.5
197.11790	2.4
197.13654	1.7
199.11169	32.6
207.10065	2.9
207.13766	10.6
217.12239	83.8
217.90964	1.6
218.12735	1.9
235.13286	37.3
253.12296	1.2
253.14331	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	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03929	4.4
55.01865	4.8
55.05509	14.3
56.35133	1.6
56.96572	2.7
57.03431	2.4
57.07068	4.3
58.04860	1.2
59.04984	1.7
59.71200	1.3
62.06102	1.7
65.03933	2.1
67.05502	25.0
69.03430	6.9
69.07064	11.3
70.16589	6.4
71.04992	11.0
74.36624	1.3
79.05495	34.7
81.03411	3.1
81.07058	61.8
83.04984	11.8
83.08614	4.4
83.41167	1.3
85.02885	2.6
85.06555	6.9
87.04449	5.2
91.05481	26.4
93.07046	54.0
95.04971	21.1
95.08604	26.8
97.02899	1.5
97.06537	19.2
97.10163	3.1
98.97588	3.3
98.98470	43.3
99.04475	8.9
99.08084	2.4
101.06026	8.4
105.07036	35.5
107.04937	9.0
107.08600	23.3
109.06520	33.5
109.10152	7.6
111.04438	6.5
111.07377	1.8
111.08045	7.4
113.06010	5.5
115.03969	2.3
115.05444	1.9
116.98621	4.7
116.99451	2.0
117.07032	4.0
119.04935	2.6
119.08583	18.9
121.06506	100.0
121.10142	8.6
123.04446	6.0
123.08065	11.1
123.11688	2.2
125.05964	6.5
125.09627	4.7
127.07564	12.0
128.06232	3.6
129.05508	5.0
129.06996	9.7
131.08565	7.2
133.06477	8.1
133.10112	10.4
135.04428	5.2
135.08052	10.2
135.11703	2.2
137.05980	12.6
139.07533	18.7
141.05475	2.4
141.07011	2.5
142.07793	5.0
143.08562	11.4
145.06505	2.0
145.10136	9.1
147.06599	1.8
147.08055	6.3
147.11685	30.2
147.12798	2.6
149.13274	2.6
151.07533	2.6
151.11169	2.7
155.07126	1.4
155.08568	2.8
156.09401	4.6
157.06490	1.9
157.08807	2.2
157.10129	17.6
159.06638	1.6
159.08037	2.0
161.05908	2.3
161.09692	3.2
161.13266	15.0
165.07045	3.5
165.12779	6.2
166.07787	3.1
171.08008	1.5
171.11688	24.1
173.09613	3.6
175.11208	21.0
181.10097	7.5
181.13658	1.4
184.08911	2.2
189.09026	1.5
189.12766	28.6
193.12271	22.9
197.11662	2.1
199.11183	38.5
199.13019	2.1
207.13824	11.4
210.06746	1.8
212.58290	1.4
217.12244	87.7
218.12733	1.9
235.13264	31.1
235.20689	1.6
253.08794	3.2
253.14351	23.5
253.19566	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
56.96561	7.9
57.03435	4.4
57.07082	5.5
60.04525	3.8
61.02923	2.9
67.05510	4.7
69.03429	7.5
69.07076	3.7
70.06599	4.0
70.95065	3.4
71.05004	1.9
73.06561	8.5
79.05495	2.8
81.03427	4.3
81.07054	6.4
84.04512	4.2
84.08144	5.9
85.02913	28.7
86.09688	3.9
91.05469	2.0
93.07058	3.1
94.93004	2.1
95.04984	1.7
95.08624	7.5
97.02894	7.8
98.98467	100.0
99.04453	3.1
103.03959	1.6
103.05473	1.9
109.02836	3.1
109.10175	3.2
110.07185	1.8
113.06020	1.6
116.98697	2.7
116.99523	5.8
120.07246	2.3
120.08102	31.6
120.08930	2.3
121.05169	2.3
127.03909	5.2
129.10269	1.6
136.07576	3.8
141.05487	3.0
145.04968	5.5
154.10631	1.7
177.00774	2.3
188.92442	3.2
190.96317	3.0
197.11774	5.3
202.82529	1.8
204.80789	1.6
245.80605	1.8
253.08574	1.8
253.11955	2.2
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
54.83708	0.4
55.05508	1.0
56.96564	1.1
57.07079	1.0
57.47417	0.5
60.04526	62.8
67.05498	1.8
69.03423	0.7
69.07067	1.6
69.57190	0.5
70.02958	1.0
70.06527	0.5
70.84110	1.1
70.84505	1.0
71.04964	1.1
71.76083	0.5
79.05484	1.0
81.07066	2.5
83.08630	0.7
84.04500	0.6
84.08115	0.9
87.05600	2.2
91.05486	1.1
93.07052	1.8
95.04961	0.8
95.08598	2.4
96.91850	0.5
97.02919	0.7
98.98465	30.6
103.03975	0.5
103.05489	2.9
105.07016	0.8
107.04940	1.3
107.08588	0.5
109.07624	0.5
109.10141	1.2
110.07150	0.8
116.99496	1.8
117.07038	0.6
120.08104	100.0
121.08487	0.7
128.74759	0.5
131.04912	2.8
132.08116	0.8
135.90071	0.5
144.08089	2.1
149.05974	1.3
159.02808	1.2
162.09164	2.2
166.08638	53.7
197.11664	1.1
204.18771	0.5
207.11293	13.8
217.19591	0.6
219.04979	2.0
235.10767	3.4
253.11876	7.0
272.92636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63506	0.4
56.96565	69.5
59.73040	0.4
66.00900	0.4
67.05508	0.5
70.05600	1.4
70.06010	0.8
71.95260	7.6
72.96043	3.9
74.49582	0.4
74.97614	1.2
84.96049	1.6
91.05506	0.4
92.98656	0.8
97.06532	0.7
97.96856	1.2
98.98457	4.6
105.00160	1.5
110.97604	1.9
115.00703	0.5
115.97876	0.6
119.01720	0.9
123.01191	2.2
128.98605	3.2
130.35419	0.5
131.09528	0.4
137.02731	2.9
141.02209	1.4
145.01726	0.8
146.99637	2.5
151.04329	0.9
155.03783	2.7
159.03285	0.8
167.03802	0.7
169.01755	1.0
169.05374	2.6
175.14781	0.4
177.05911	0.7
179.07349	0.9
183.06857	0.5
187.02785	0.8
195.06917	1.7
197.08513	1.8
199.06303	0.7
205.08928	0.7
207.10381	0.6
207.79033	0.5
209.08612	0.5
213.08078	0.5
223.10037	4.9
225.11617	0.8
226.37846	0.5
229.07460	0.8
230.07968	0.6
235.10030	4.3
241.11104	45.0
253.11111	64.8
254.11429	1.3
259.12177	64.4
260.12473	1.2
264.12653	2.9
264.67053	0.5
271.12164	100.0
272.12503	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01875	1.3
55.05509	10.7
56.96565	77.6
57.03431	7.7
57.07068	1.0
65.03950	0.8
67.05504	25.0
69.03421	0.7
69.07065	9.8
69.07405	0.9
71.04996	2.2
71.60342	0.7
71.95266	9.6
72.96041	3.9
73.06558	0.7
74.97604	1.1
79.05493	9.5
81.03437	0.5
81.07055	36.0
83.04984	1.6
83.08624	6.6
84.96030	1.2
85.06554	1.7
85.36453	0.5
91.05477	11.2
92.98661	1.1
93.07037	11.4
94.35819	0.5
95.04986	1.0
95.08605	38.7
97.02902	0.5
97.06539	4.9
97.10190	1.6
97.96853	1.5
98.98460	10.8
99.08112	1.4
99.17101	0.5
103.03928	0.5
105.00164	0.6
105.07029	8.8
107.08598	3.5
109.06519	1.9
109.10151	4.5
110.96817	0.5
110.97589	1.9
111.08064	1.7
113.05987	0.5
113.09671	0.6
115.97845	0.8
116.99496	0.6
117.07045	0.9
119.01740	0.8
119.08575	10.0
121.06499	0.7
121.10147	2.7
123.01199	2.6
123.08078	1.8
123.08941	0.5
123.11729	0.7
125.09595	1.0
128.98582	3.0
129.05479	1.0
131.08614	1.1
132.97052	0.5
133.10110	6.8
135.11703	3.6
137.02730	4.0
137.09612	1.6
137.13255	2.6
141.02251	2.1
145.01678	0.9
146.99670	3.5
147.03328	0.7
147.11687	0.8
149.01292	0.5
151.00655	0.6
151.04318	1.5
151.14809	0.5
155.03799	4.4
157.10031	0.4
159.11659	1.2
161.01085	0.7
161.13254	9.6
167.03810	0.8
169.01715	0.7
169.05440	2.4
171.03400	0.7
173.04771	0.7
179.03925	0.6
179.14330	3.1
181.05336	0.7
183.07019	0.7
187.02921	0.5
187.06343	0.6
195.06905	1.3
197.04802	0.6
197.08484	2.3
197.13174	0.6
199.06479	0.6
205.08989	0.8
211.06467	0.7
211.14682	0.7
213.07974	0.7
217.07491	0.6
217.12218	1.0
223.09967	4.6
225.11566	0.8
227.71838	0.5
229.07440	0.7
235.10036	4.4
235.16971	0.7
241.11107	46.6
247.08588	0.6
253.11107	64.2
253.17920	21.5
254.11449	0.7
259.12173	70.6
260.12500	1.1
261.12604	0.6
264.12698	3.7
271.12158	100.0
272.12451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01875	20.5
55.05507	6.1
56.05033	1.9
56.96556	4.7
57.03429	12.9
57.07064	3.5
60.04523	2.4
65.03943	2.4
67.05502	8.1
69.03417	4.3
69.07077	7.0
70.06587	1.7
71.04992	6.9
71.59373	1.6
75.04490	7.5
79.05486	10.7
81.03408	2.3
81.07057	16.5
83.04977	2.5
83.08619	2.5
84.08159	2.2
85.02902	1.9
85.06537	2.6
86.09729	1.8
91.05479	30.9
93.07028	9.4
95.04973	5.6
95.08616	10.4
97.02914	1.9
97.06491	5.9
98.98462	68.7
99.04474	1.2
99.08105	2.1
103.05486	4.5
105.07027	17.9
107.04945	6.4
107.08561	6.3
109.06541	3.4
109.10142	5.9
111.04482	1.6
114.93593	1.4
115.05450	3.6
116.98634	2.5
116.99462	1.6
117.07039	2.6
118.03471	1.1
118.04138	6.3
119.04940	31.0
119.08595	4.6
120.08111	4.1
121.06518	5.7
121.10155	5.3
123.04431	2.9
123.11761	2.4
125.09619	1.7
129.06996	2.2
129.10236	2.3
131.04910	2.6
131.08556	1.2
133.06487	13.4
133.10132	4.4
134.99608	2.0
135.04466	1.6
135.08084	2.3
135.11710	1.9
136.05156	6.7
137.05959	3.6
137.86865	1.2
140.00992	1.5
141.05531	1.7
143.08545	1.4
145.10118	1.8
146.03600	12.6
146.99733	1.4
147.03221	3.1
147.04405	63.7
147.08038	2.2
147.11674	3.3
149.05963	2.4
151.07552	3.4
151.11203	2.6
157.10123	1.9
161.05971	50.0
161.13264	1.7
163.03940	1.5
164.04634	7.4
165.12772	1.2
170.85599	1.2
171.11664	2.3
172.09320	1.5
175.11189	2.3
177.00580	1.5
177.05536	3.8
179.07025	100.0
180.07359	1.3
189.12730	3.6
193.10075	1.5
197.11679	2.3
199.11195	2.5
210.55830	1.2
214.06520	1.2
217.08662	2.5
217.12297	4.4
235.13298	3.9
235.17017	1.2
238.10272	1.4
253.08455	3.7
253.10861	5.1
253.14417	3.7
253.17957	2.4
253.21591	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	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	19.0
55.05502	4.4
56.96558	3.1
57.03434	9.1
57.07066	1.7
65.03940	1.7
67.05502	4.4
69.03413	1.8
69.07046	2.4
70.06593	0.8
71.04980	1.9
71.59429	0.9
73.02887	0.7
75.04483	3.1
79.05491	6.0
80.06246	0.7
81.03396	1.8
81.07048	7.4
83.04960	1.5
83.08594	0.8
84.08147	1.3
85.02894	2.1
85.06550	1.7
86.09712	0.7
87.04524	0.7
91.05479	24.4
93.07031	3.3
94.04234	0.7
95.04977	4.3
95.08629	3.1
97.02893	1.8
97.06537	2.2
98.97608	1.5
98.98466	34.2
99.04408	1.1
99.08082	2.0
103.05459	3.8
105.07030	13.7
107.04967	4.7
107.08575	2.0
108.04488	0.6
109.06530	1.9
109.10135	0.8
111.04445	1.4
111.08096	0.9
115.05448	2.9
116.98641	1.6
116.99483	2.3
117.07014	1.8
118.04147	5.6
119.04945	31.3
119.08569	2.4
119.20273	0.7
119.75208	0.6
120.05206	0.7
120.08077	2.6
121.06499	2.6
121.08434	1.1
121.10121	1.3
122.03659	1.0
123.04424	2.8
123.08043	2.9
123.93842	0.6
125.09651	0.8
125.46080	0.6
126.05521	0.8
127.03952	0.9
127.07413	0.6
129.06976	2.6
129.10275	0.8
131.04886	1.2
131.08565	1.2
133.06485	14.1
133.10138	1.6
134.99663	0.9
135.04443	1.7
135.08101	0.8
136.05183	5.0
137.04539	1.2
137.05966	8.8
137.09549	1.2
141.05415	0.7
143.08644	0.9
145.06485	0.8
145.10114	1.6
146.03610	12.8
146.99669	0.8
147.04410	55.3
147.11710	1.2
148.07507	0.7
149.05934	1.6
149.09602	0.9
151.07529	2.9
157.06496	0.8
157.10153	0.7
158.99579	0.7
161.05978	50.9
161.13264	1.1
163.03906	1.9
163.07545	1.1
164.04684	7.5
171.01657	0.6
171.11708	1.9
174.99208	1.1
175.07565	1.5
175.11159	0.9
176.04710	1.0
177.00742	1.1
177.05463	1.7
179.07031	100.0
180.07317	1.4
180.10184	1.5
189.09149	1.1
189.12715	0.8
197.11746	1.8
199.11211	0.8
205.08598	1.1
207.08377	1.5
207.10170	1.2
208.09706	9.5
217.08513	1.1
217.12263	1.8
235.09616	2.7
235.13211	3.4
253.08498	1.6
253.10535	6.1
253.14229	3.4
253.18059	0.9
254.10271	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	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98232	0.2
53.03945	0.3
55.05511	10.1
56.96548	0.5
57.07065	0.9
58.06602	11.6
65.03929	0.3
67.05505	13.3
69.07069	14.5
69.95737	0.5
69.96149	0.8
70.06586	0.3
71.08637	0.3
71.41052	0.2
72.08141	0.9
73.54407	0.2
79.04443	0.2
79.05491	1.1
81.07056	12.9
83.08629	3.9
84.08129	0.4
87.14439	0.2
91.47279	0.2
93.07054	0.4
95.08609	13.1
97.10168	2.3
98.09689	0.6
98.98472	4.7
107.08571	0.4
109.10162	5.9
116.99485	0.4
118.19039	0.2
123.11681	1.2
137.13274	0.5
145.96645	0.4
163.97740	0.6
182.19003	0.4
205.98807	1.6
217.07295	0.2
229.07455	0.4
247.08527	0.3
252.26863	100.0
253.27246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.082
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
51.91338	1.3
55.01863	1.6
55.05505	2.3
56.11839	1.5
56.96560	3.5
57.07063	5.9
60.04519	2.5
67.05496	4.2
68.28621	1.4
69.03422	2.3
69.07053	4.2
71.50587	3.5
74.02437	7.4
75.39739	1.4
79.05502	3.4
80.04983	2.4
81.07045	4.6
82.02922	1.4
84.08127	1.9
85.06562	1.4
85.30003	1.5
86.09750	1.5
91.05479	3.7
93.03355	1.6
95.04975	2.1
95.08577	4.5
97.02884	2.4
98.98463	86.9
99.04407	1.5
103.27295	1.6
106.06554	9.5
107.04984	1.9
108.04492	2.6
109.10117	3.6
110.06036	3.9
116.04949	2.6
116.99500	6.5
117.05756	1.9
118.06539	8.1
119.04983	2.6
119.06049	1.6
120.04456	3.6
120.08088	4.6
123.11671	1.5
124.03897	1.7
124.07565	1.5
125.04732	1.7
126.05502	3.0
133.07610	3.5
134.06010	47.7
134.06985	3.2
136.03940	4.8
136.07573	3.2
138.05473	1.7
141.05402	2.3
143.05998	1.3
144.04433	5.2
145.05148	1.7
145.07539	3.4
146.06003	68.3
147.04361	1.6
147.05492	2.7
147.06665	2.1
148.03929	3.5
149.04712	3.6
152.07037	3.6
158.05991	2.5
161.04784	3.8
161.07121	12.3
162.05502	100.0
163.06212	3.1
163.08679	2.4
164.03439	28.7
171.05479	1.6
172.03909	4.0
173.07088	5.7
174.05527	3.9
174.07906	3.0
175.08748	2.0
180.06523	6.3
188.92476	2.8
189.06619	11.6
190.04987	20.3
190.06662	2.0
190.07271	1.8
191.08199	2.9
193.06071	2.2
197.11696	3.5
201.25610	1.5
203.05756	4.0
203.08064	1.7
207.07655	42.3
207.09531	3.0
208.06050	4.0
218.04572	2.1
218.06917	1.7
219.07610	4.4
220.08434	10.3
225.08684	2.3
235.07074	8.0
236.05521	5.9
236.07956	6.1
253.08211	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	252.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.04092	0.6
55.05509	7.0
56.96560	2.4
57.07071	1.0
58.06595	7.0
67.05500	9.6
67.50216	0.6
69.07063	8.0
69.93234	2.4
69.93650	1.0
79.05487	2.2
81.07055	10.7
83.08605	2.6
91.05470	0.7
93.07066	1.3
95.04968	0.6
95.08599	9.6
95.09161	0.9
97.06524	0.8
97.10166	1.4
98.98464	100.0
100.98870	1.4
105.06957	0.6
107.08614	0.9
109.10176	3.7
116.99494	5.2
123.11735	1.0
124.46327	0.6
140.01068	1.7
163.97723	1.8
168.29886	0.6
174.99266	1.7
176.98955	1.8
178.04964	0.6
181.09732	0.6
181.98711	1.6
196.06055	12.3
205.98732	5.4
217.07436	1.4
224.09125	5.3
229.00369	1.5
229.07486	5.4
242.47067	0.7
247.08478	4.3
247.12234	0.7
248.08888	0.8
252.09209	1.0
252.12303	6.1
252.26857	63.8
253.27011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05496	0.9
56.96566	26.3
60.08984	0.5
67.05502	1.0
70.94047	1.1
71.95245	1.8
72.96012	0.6
74.97621	0.6
79.05474	0.8
81.03403	0.6
81.07035	1.1
84.96027	0.8
85.02932	0.6
91.05466	0.7
93.07033	0.9
95.08588	1.0
98.22431	0.5
98.97573	1.0
98.98470	7.9
105.07006	1.0
109.10175	0.5
115.00658	0.6
116.98660	1.1
116.99470	1.0
121.10098	0.7
133.01743	0.8
134.99681	0.7
137.02730	0.6
145.10201	0.5
146.99660	0.8
147.03258	1.0
147.25505	0.5
149.04910	0.7
153.02167	0.7
155.03792	1.0
163.97696	1.1
167.03787	1.0
169.01698	0.6
169.05273	0.9
171.03288	1.2
173.04875	4.5
179.05771	0.5
181.05367	2.2
183.06970	2.3
185.04884	1.9
185.08484	0.7
187.02742	1.2
189.04311	0.5
191.05922	3.0
199.06410	16.8
201.04762	0.5
201.08015	7.8
203.05902	3.2
203.09589	1.5
205.98741	1.4
211.06360	8.6
211.08246	0.6
217.07484	29.3
219.09079	6.2
221.06984	0.7
222.08174	0.8
229.07483	100.0
235.08551	1.5
240.09091	0.8
247.08545	99.7
248.08795	0.7
252.09073	10.1
252.11688	1.0
252.23259	1.2
270.10159	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	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03943	0.2
56.96543	0.3
57.03430	0.3
57.85907	0.2
58.06590	0.4
65.05684	0.2
65.87151	0.2
67.05490	0.3
69.03419	0.3
71.04984	0.8
71.57877	0.4
72.08157	0.6
73.02903	1.1
84.04519	0.3
84.08136	0.8
86.09686	0.4
91.05458	0.3
93.07064	0.4
93.85197	0.3
94.04053	0.6
95.04988	0.5
95.06087	0.7
98.98463	3.7
99.04449	1.0
102.21816	0.2
116.64525	0.2
117.05495	2.3
118.52625	0.2
119.03553	0.8
120.74248	0.2
121.06512	0.3
129.10197	0.2
134.99664	0.3
136.06186	100.0
137.04610	0.7
137.06555	0.5
143.65431	0.3
149.05971	0.4
180.05219	0.6
181.03568	0.3
186.28456	0.3
193.05009	0.6
193.13411	0.3
245.66562	0.2
252.07271	0.4
252.11031	1.4
252.20816	0.7
252.23293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.21669	3.0
56.96558	8.3
62.52904	3.3
67.05479	3.9
69.03439	5.9
70.06590	5.2
71.60290	5.4
79.05486	12.5
79.65092	3.7
81.07043	6.4
82.06561	4.1
84.08142	9.3
86.09691	7.6
91.05467	24.0
93.07032	4.7
95.04984	5.9
96.08965	2.8
97.02920	4.4
98.98467	100.0
103.05454	10.0
105.07019	13.8
107.04943	15.5
107.08595	5.8
109.06532	4.6
115.05455	14.1
116.98683	4.1
116.99487	8.4
117.06989	7.3
118.30874	3.3
119.08553	4.9
120.08134	8.5
120.78371	3.1
121.06504	3.7
123.04469	7.7
131.04901	6.0
133.06458	16.3
135.08032	5.7
136.00482	3.9
136.05191	7.9
136.06195	6.4
137.05997	10.2
145.06537	6.0
146.05971	3.8
146.10437	4.5
147.06827	4.2
147.07996	8.0
148.05202	8.2
149.05966	11.7
151.03899	4.0
151.07506	6.2
153.05470	12.0
158.06021	14.4
160.07559	5.1
161.05991	19.2
163.07556	70.5
166.06238	5.9
167.07047	53.6
168.07838	34.8
170.06125	3.5
175.06224	5.8
175.07523	9.3
176.07062	25.9
180.07886	3.9
181.08627	7.9
188.07065	11.8
190.08636	18.5
191.09454	7.5
193.08627	23.0
194.09406	5.4
202.08627	15.4
206.08183	18.9
207.10126	18.2
210.11255	20.4
212.10451	30.4
216.06578	6.8
219.08940	10.8
220.09663	8.5
234.11394	19.6
237.09984	7.8
245.53760	3.4
252.12306	89.9
252.16109	6.0
252.23251	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	252.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54506	0.3
56.96555	0.6
65.44305	0.3
68.05025	0.3
71.57983	0.4
77.00912	0.4
84.08149	0.5
93.99331	0.3
98.97566	0.5
98.98463	2.1
101.00887	0.7
104.69393	0.3
105.19968	0.4
111.38919	0.3
111.54982	0.3
116.98635	0.8
119.01917	6.4
122.73260	0.4
134.99768	1.9
137.02954	3.3
138.03070	0.4
140.98816	0.8
144.29283	0.3
146.64070	0.3
153.00929	1.9
158.99863	2.7
160.04524	0.4
171.33873	0.4
177.00949	69.5
178.01036	1.7
179.01265	1.1
182.63710	0.3
185.01477	0.7
195.02034	1.8
200.02530	1.5
201.00914	0.6
201.07410	0.4
203.02515	25.0
204.02641	0.8
205.00426	1.1
210.51607	0.4
210.99345	1.7
211.01175	0.6
219.02008	11.5
220.02097	0.6
221.03551	0.4
226.04089	0.7
228.01947	0.5
229.00394	5.0
229.09171	0.7
246.03143	0.6
247.01491	100.0
248.01698	3.4
252.08237	0.4
252.23340	0.5
261.03033	0.9
270.03024	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	251.1641
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
52.49609	1.3
53.03933	4.1
55.01850	1.9
55.05500	6.1
56.96566	7.2
57.07076	6.5
59.04995	3.3
64.56853	1.3
67.05496	12.8
67.93234	1.3
69.03419	6.7
69.07071	7.8
70.13033	6.9
71.01315	1.5
71.04991	81.4
79.05498	12.7
81.03403	3.8
81.07055	19.2
83.04982	17.0
83.08601	3.0
85.02885	1.7
85.06537	3.2
91.05497	7.2
93.07041	17.3
95.04960	19.1
95.08600	14.9
97.06531	15.9
98.97604	2.5
98.98463	87.4
99.04459	1.4
105.07029	9.9
107.04953	5.2
107.08590	14.5
109.06498	6.6
109.10132	11.4
111.08039	4.3
113.05996	4.1
116.98602	4.7
116.99504	4.7
117.06994	5.6
119.08554	11.5
121.06484	5.3
121.10126	16.9
122.07268	1.5
123.08088	10.1
123.11675	5.0
125.05988	44.9
131.08557	7.8
133.05266	1.4
133.06413	1.6
133.10124	4.7
134.99673	2.5
135.08034	4.9
135.11703	6.4
137.09566	6.2
140.51411	1.3
142.07671	1.6
142.97198	1.4
145.10115	11.0
147.08051	3.5
147.11665	3.7
149.09642	10.5
149.13229	1.7
151.07518	15.3
157.10107	2.8
159.08044	1.7
159.11639	2.4
162.19185	1.3
163.07526	1.6
163.11182	53.1
165.09077	3.5
167.10617	1.8
171.11678	1.5
173.09579	1.8
173.13243	4.0
174.99187	3.1
175.11185	2.3
177.00658	3.0
177.09096	7.2
179.14372	1.7
181.12238	26.6
187.14772	2.3
189.12700	2.8
191.14371	3.1
193.12224	2.4
195.10106	3.3
195.11687	2.0
197.13184	1.4
205.15814	3.1
207.13828	1.9
215.14291	4.8
223.16956	1.7
233.15337	18.8
233.18887	2.0
251.12306	2.8
251.16400	100.0
251.20361	3.6
256.54114	1.3
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	Sterpuric acid
Peak:m/z	Relative Intensity
53.03938	5.6
55.01868	4.5
55.05506	15.0
56.96560	13.1
57.03444	1.7
57.07066	5.4
59.07613	1.2
65.03946	3.5
67.05503	55.4
67.70924	1.3
67.89585	1.5
69.03437	3.4
69.07064	15.4
71.04989	5.5
71.59984	1.6
79.05493	32.4
81.03417	94.8
81.07054	49.0
83.04974	5.1
83.08606	6.3
85.06543	4.1
91.05479	31.6
91.05930	0.7
93.07039	24.3
95.04971	55.6
95.08602	28.4
97.06539	7.9
97.10165	1.7
98.98465	100.0
99.04431	1.7
99.08088	1.8
103.05458	3.0
105.07027	33.4
107.04946	5.6
107.08587	13.7
109.06519	10.5
109.10168	10.4
111.04421	1.4
111.08058	3.6
111.20116	1.3
115.05528	1.6
116.06293	1.3
116.98619	4.8
116.99509	4.9
117.07047	12.3
119.08582	21.2
121.06504	26.5
121.10152	12.0
123.04421	3.1
123.08060	7.9
123.11707	5.9
125.09625	1.5
127.07556	1.8
129.07010	6.3
131.08565	32.6
133.06502	3.6
133.10144	9.5
134.99690	1.6
135.08037	9.3
135.11688	3.2
137.05952	2.7
137.09612	4.0
143.08563	2.1
145.06480	1.8
145.10112	15.2
147.08061	4.3
147.11714	6.5
149.09599	5.5
149.13245	5.7
151.07523	2.1
153.09105	2.1
155.08583	4.0
157.10100	1.6
158.99687	2.1
159.08064	2.5
159.11697	5.6
161.13249	3.3
163.11151	2.4
165.12787	1.3
167.03683	1.3
167.10645	2.6
169.10132	4.4
171.11684	7.0
173.09636	3.3
173.13271	7.2
174.99219	4.2
177.00732	2.0
177.86763	1.4
185.13181	2.3
187.03990	3.1
187.11198	3.6
187.14799	18.4
188.04352	1.9
189.12764	3.1
191.14377	2.1
191.67294	1.5
193.04395	1.4
195.09685	2.8
197.13297	8.5
199.06422	3.9
201.07967	3.0
205.15933	6.0
210.07169	1.3
211.06424	1.8
215.14319	13.6
215.17953	2.3
217.07448	8.1
219.09074	2.6
229.07469	30.6
233.15356	39.6
233.18851	2.9
247.08543	33.3
251.12619	2.4
251.16383	33.4
251.20055	5.3
252.09015	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	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
52.33564	2.3
53.03936	3.1
53.74537	2.4
55.05508	14.2
56.96557	9.2
57.07061	11.1
59.04997	6.2
61.01492	2.7
64.68413	2.6
64.86526	2.9
67.05502	18.8
67.63342	2.7
69.03423	9.8
69.07066	17.9
69.40249	19.5
69.93128	2.3
71.01358	3.0
71.04992	79.2
74.60900	2.6
77.59734	2.3
79.05487	12.6
81.03402	3.5
81.07051	23.9
83.04978	17.2
83.08592	8.1
84.70020	3.1
85.06534	9.9
91.05458	18.8
93.07031	16.7
95.04967	16.8
95.08614	27.4
97.06537	14.7
98.21559	5.5
98.97565	14.9
98.98469	85.2
99.04485	4.2
105.07031	17.3
105.49496	2.5
107.04965	4.5
107.08598	23.1
109.06519	10.2
109.10165	17.8
111.08080	7.0
113.05994	11.8
116.98605	13.3
116.99471	4.3
117.06995	9.2
119.08585	29.0
121.06509	8.2
121.10144	32.9
123.08067	16.8
123.11691	4.9
125.06001	40.9
130.07748	3.1
131.08560	8.6
133.10112	11.3
134.99677	5.8
135.08115	6.6
135.11687	6.3
137.08655	3.2
137.09625	36.7
145.10132	21.9
147.08044	55.0
147.11674	10.2
149.01219	5.1
149.09613	12.0
151.07552	11.5
151.11208	4.2
151.14803	3.9
153.09087	5.7
155.10654	4.7
157.10149	4.5
158.11002	3.1
158.99684	5.7
159.11650	4.2
161.13306	6.7
163.11185	71.9
165.09192	4.3
169.10115	3.5
173.01163	4.4
173.09554	2.8
173.13217	9.3
175.11191	11.3
177.00731	10.7
177.09059	4.6
179.14326	30.8
181.12239	20.5
187.14818	11.3
191.02277	4.7
191.14307	8.7
193.12296	4.8
195.10068	5.4
197.13242	3.2
202.98593	4.3
205.15921	7.5
207.13783	5.3
215.14276	12.8
219.01871	3.1
233.15346	49.6
244.99612	3.0
251.12357	6.8
251.16423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.9
57.03430	0.8
58.45470	0.3
67.01870	1.2
68.05018	0.4
69.03407	0.4
71.59109	0.4
80.35677	0.3
81.07057	0.4
83.81535	0.3
84.04459	0.3
94.04060	0.4
97.02882	0.6
98.98463	9.7
116.99467	0.5
119.03529	0.7
136.06183	100.0
137.04520	0.4
146.06029	0.8
160.15457	0.4
161.70923	0.4
174.99159	0.3
208.01927	0.7
212.03694	0.4
220.27763	0.3
222.69215	0.4
226.02914	0.8
250.09352	13.0
250.21591	0.5
251.09273	0.3
265.74347	0.3
267.12943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41536	0.3
56.96553	0.5
69.83213	0.5
69.83627	1.0
91.05491	1.3
95.60559	0.2
98.98464	1.1
119.04939	9.1
136.06021	0.3
147.04408	42.6
148.04753	0.6
191.07028	100.0
192.07397	1.4
221.87733	0.3
239.78505	0.3
250.14389	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	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03706	1.0
53.03946	20.3
55.01871	6.3
55.05511	28.1
55.46304	0.8
56.96552	1.1
57.03424	3.8
57.07085	6.5
59.04985	2.0
65.03941	2.2
67.05504	52.6
69.03422	3.6
69.07067	40.2
71.04977	2.6
71.08618	2.4
71.60008	1.1
72.18832	0.8
79.05053	1.5
79.05493	22.0
81.03419	78.1
81.07057	48.5
83.04984	19.2
83.08625	9.0
85.06543	2.4
85.10162	2.0
91.05482	12.9
93.06463	1.3
93.07043	20.8
95.04357	1.9
95.04971	37.9
95.08046	1.7
95.08608	23.5
97.06510	4.7
97.10185	9.4
99.08060	1.7
105.07026	14.2
107.08591	13.5
109.06520	11.5
109.10150	16.0
111.08070	1.4
113.09680	1.5
119.08595	6.3
121.10151	8.6
123.08057	3.2
123.11722	8.3
125.09621	1.9
131.08568	1.0
133.10133	13.6
135.11664	5.6
137.06030	1.1
137.09612	1.6
137.13242	1.8
139.11151	0.8
147.11685	5.0
149.13245	2.8
151.11194	43.1
151.14778	1.2
152.11513	0.9
153.12729	4.3
161.13286	6.1
163.14832	1.7
165.12762	10.9
167.14320	0.9
175.14853	3.5
177.16368	2.7
179.14252	7.2
189.00076	0.9
189.16409	1.5
191.17847	2.2
193.12132	1.4
193.15845	2.0
220.76863	0.8
221.22679	0.9
231.21097	8.6
234.55846	0.8
249.18404	3.4
249.22145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03934	5.0
55.01878	12.5
55.05269	1.7
55.05512	26.3
56.96547	2.7
57.03434	2.1
57.07072	6.3
65.03926	2.8
67.05506	65.8
69.03421	3.6
69.06718	1.9
69.07069	22.9
69.94647	4.8
71.04979	3.4
71.08633	6.2
73.06561	1.1
78.62717	1.2
79.05489	25.9
81.03407	9.3
81.07058	64.6
83.04990	10.5
83.08629	10.6
85.10181	2.5
91.04945	2.1
91.05476	21.1
93.07043	29.2
95.04979	13.3
95.08611	54.9
97.06532	14.3
97.10172	6.9
99.08095	5.4
105.07039	14.8
107.04937	1.7
107.08592	17.2
109.06522	6.9
109.10157	22.4
111.04427	1.7
111.08106	7.3
113.09640	1.9
119.04925	1.1
119.08585	15.9
121.10139	15.6
123.08055	5.4
123.11704	11.6
125.09647	2.4
127.11172	1.3
128.98640	1.2
129.07004	1.7
131.08574	2.3
131.56200	1.3
133.10127	13.1
135.08034	2.4
135.11693	12.1
137.09621	8.1
137.13255	5.0
139.11180	2.7
145.10081	1.4
146.99657	1.8
147.08057	9.7
147.11662	10.0
149.13266	8.9
151.11168	8.7
151.14835	2.4
153.12743	7.1
161.13268	10.1
163.14886	3.7
165.12758	9.0
167.14406	1.5
175.07556	2.8
175.14801	5.8
177.16388	2.4
179.14330	4.7
189.16415	3.0
191.17955	1.7
193.15854	3.9
203.05940	2.4
203.14255	1.6
203.17894	4.7
205.07518	1.6
205.19505	2.1
231.13774	2.7
231.17519	2.6
231.21097	17.4
249.11179	1.5
249.14876	4.4
249.18536	7.2
249.22144	100.0
249.24832	4.3
250.22437	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05510	11.3
56.11687	1.1
57.07072	1.8
67.05488	5.3
69.07043	8.3
70.07120	5.2
74.59536	1.0
79.05479	4.3
81.07041	7.4
83.08604	5.4
85.10140	1.5
91.05463	5.4
93.07034	10.7
95.08601	18.6
97.10146	4.5
102.34603	1.2
105.07029	12.9
107.08588	15.2
109.10142	11.6
119.08574	25.8
121.10137	11.2
123.11683	3.5
125.05936	1.6
131.08571	2.2
133.09134	1.4
133.10126	28.9
135.11684	5.3
139.07523	1.4
145.10071	1.5
147.11682	25.5
149.13206	3.4
153.09087	5.1
159.11554	2.1
161.13220	11.0
165.09125	1.9
167.10641	5.2
175.14795	3.2
179.10667	2.2
193.12215	2.8
203.17949	100.0
204.18263	2.4
205.19440	2.8
221.19041	7.7
231.17418	5.1
249.18542	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	249.1485
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
53.03941	4.5
55.01857	7.2
55.05503	11.5
56.96560	19.0
57.03434	7.7
57.07049	5.8
61.98326	3.5
65.20725	3.4
66.71387	3.4
67.05508	25.3
69.03428	25.6
69.07093	21.8
69.97517	7.6
69.97938	17.8
73.02959	3.6
76.16737	3.2
79.05489	27.7
79.94719	3.6
81.03429	8.4
81.07056	65.6
83.04998	6.2
83.08644	8.9
85.02911	7.1
91.05483	31.6
91.46130	3.8
93.07041	35.1
95.04966	17.9
95.08613	32.2
97.02893	8.6
97.06527	17.7
97.10172	4.0
98.21361	6.0
98.97600	21.4
103.05442	4.4
105.07028	74.2
105.07671	6.6
107.04962	35.3
107.08595	53.3
109.06528	12.4
109.10155	14.5
111.08082	17.4
113.96883	4.6
116.98612	21.5
117.07011	11.5
119.08586	46.5
121.06509	16.4
121.10107	9.5
123.04452	6.6
123.08072	11.4
123.11719	13.0
128.06209	3.9
129.07011	9.9
131.00139	5.7
131.08583	14.2
133.06517	10.2
133.10124	34.6
134.99666	13.9
135.08025	22.1
135.11697	12.1
137.05980	5.5
137.09634	4.4
142.07791	5.6
143.08563	13.3
145.10118	12.8
147.08067	14.4
147.11734	15.0
149.09554	5.4
149.13359	5.7
151.07542	20.1
153.09149	11.0
154.83878	4.2
157.10100	15.6
158.99628	7.0
159.11684	9.8
161.06004	6.5
161.09602	10.0
161.13248	14.5
165.06985	5.0
165.09059	5.8
171.11659	11.0
173.01207	6.0
173.09610	7.2
175.07605	9.0
175.11224	4.8
175.14851	35.4
177.00714	10.5
177.12782	20.5
185.13246	18.4
189.09120	10.4
189.12729	7.6
191.02281	10.0
203.05907	8.4
203.14262	24.5
203.18066	5.4
207.13863	6.8
213.12756	14.1
219.01906	4.8
226.04689	4.8
231.13770	48.4
244.99747	6.1
249.09026	5.3
249.11086	6.1
249.14812	100.0
249.18620	8.5
258.09406	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	249.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58983	0.5
56.96566	41.0
64.28562	0.6
67.05490	1.9
69.07050	0.8
69.62305	4.3
71.95251	2.5
72.62238	0.5
72.96055	0.9
74.97620	1.1
78.67971	0.6
79.05490	1.1
81.07034	1.2
84.96014	1.4
91.05473	1.2
93.07029	0.7
95.08599	1.2
95.48588	0.6
96.98392	2.7
97.99185	1.1
102.97110	0.7
105.07041	0.9
107.08589	1.5
114.99426	4.7
119.08566	0.9
121.10084	0.7
128.00162	0.8
129.98076	1.2
133.00485	3.3
133.10103	0.6
137.05981	1.9
146.01257	2.2
147.99237	1.0
149.02240	0.7
151.01546	0.8
159.03349	1.1
162.04373	0.8
173.01337	0.6
185.04820	1.3
187.02730	0.7
197.08479	1.0
207.11873	0.7
207.13757	1.0
208.09947	3.7
210.08005	0.9
211.06493	1.0
218.50363	0.6
224.09613	2.2
225.07906	1.4
226.11142	100.0
227.09549	2.0
227.11493	1.4
228.09125	1.1
242.10648	1.6
244.12213	75.9
245.12614	1.5
249.12811	4.6
249.14803	1.4
249.18529	1.9
267.13803	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	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	10.3
69.03454	10.4
69.36852	73.3
69.37273	18.1
70.06581	17.5
72.08147	17.7
74.06078	12.2
75.58073	6.9
84.04506	13.3
85.02901	19.4
86.09738	7.8
94.93008	100.0
95.85966	8.1
97.02887	10.1
98.97581	42.3
100.05092	32.6
116.07108	15.1
116.31927	8.3
116.98625	33.0
118.08655	20.6
119.01917	15.0
134.59410	7.4
134.99690	10.8
135.42589	7.4
158.99652	11.8
171.09581	8.2
177.00696	23.1
177.92303	9.0
206.88609	25.7
231.10907	13.5
248.89690	15.6
249.03844	26.6
249.11978	8.3
250.02071	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03936	4.1
55.01867	9.5
56.05040	18.1
56.96568	12.1
57.03432	5.7
57.50486	3.7
61.01155	12.1
61.02930	9.1
67.05495	6.7
69.03432	23.8
70.06580	3.6
71.04996	12.4
71.58728	4.6
72.08151	7.1
73.02908	4.1
76.84124	3.8
79.05489	10.5
81.03428	14.1
81.07063	6.4
85.02916	41.4
85.19611	3.6
86.09663	4.9
91.05479	33.2
93.07048	15.3
95.04977	20.3
95.08611	4.9
97.02885	36.2
98.97593	10.3
99.04459	4.7
103.05468	5.1
104.05280	20.0
105.07027	54.3
107.04987	6.4
107.08588	4.4
109.02880	10.4
109.06506	12.2
111.04456	5.3
115.05493	10.2
116.98605	11.1
117.07025	18.2
119.01926	12.7
119.04974	6.9
119.08583	38.9
121.06529	17.5
123.08105	5.9
124.65850	4.0
127.03912	11.0
128.06213	39.5
129.06064	4.6
129.06985	28.2
131.08603	18.1
133.06500	11.9
133.10100	17.9
134.99695	8.2
135.08035	12.2
136.97359	3.8
137.05977	10.5
140.55731	3.8
141.06949	8.7
142.07764	33.6
143.01912	10.0
143.08554	100.0
145.03438	6.6
145.06499	26.1
145.10104	11.5
147.04420	5.5
147.08034	31.6
151.07573	6.6
157.10126	35.9
159.08035	15.1
161.03000	12.0
161.05977	6.1
161.09627	50.2
163.07564	9.1
165.09120	6.7
171.08014	30.3
173.05923	5.5
174.06845	5.0
175.11165	8.1
177.00566	4.9
177.09160	4.7
179.07056	16.8
185.09601	48.8
189.09113	66.2
203.10681	19.0
205.08647	13.4
207.10138	7.8
213.09148	14.2
221.11746	6.6
231.06808	6.8
231.10042	21.9
240.07379	6.2
249.07510	6.9
249.08400	4.7
249.11157	68.5
249.14819	7.6
249.18600	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	248.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	2.3
56.05028	4.3
56.79736	2.3
56.96568	61.2
67.05507	17.9
69.07062	4.1
69.98525	11.6
70.06574	6.7
71.95245	3.1
72.08149	12.9
73.02898	2.0
74.06071	5.5
78.13208	2.5
79.05493	3.0
81.03411	2.6
82.06557	3.7
84.04494	6.1
84.08143	19.4
85.02905	13.2
86.09221	2.6
86.09713	40.8
87.10031	16.6
94.06573	33.5
97.02881	2.7
98.97587	53.6
106.06554	7.3
110.07185	2.3
114.50453	2.0
116.98620	68.7
117.01862	4.3
118.08659	3.1
119.01933	2.7
119.09026	2.5
122.06025	27.8
125.02716	3.6
127.01556	2.1
128.98630	3.8
129.10217	4.3
134.99661	64.1
136.06165	2.7
137.29979	2.3
140.79869	2.2
142.01640	5.3
144.03261	4.2
146.99603	5.9
150.05505	100.0
153.00702	13.6
158.01201	3.6
158.04849	8.1
160.06451	10.9
161.01080	3.6
164.02388	2.4
165.00726	3.9
168.06543	8.0
176.02356	2.7
177.00635	2.1
178.07524	3.3
188.02348	5.0
188.05951	8.0
189.04330	12.0
190.98618	4.0
196.54688	4.7
202.12619	2.9
206.07025	13.6
207.05301	13.8
224.08025	18.9
230.06976	24.4
230.13898	5.7
231.05365	3.3
242.09200	2.8
248.03035	28.4
248.08041	86.4
248.16360	7.1
250.95354	2.4
266.09192	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	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02371	1.6
53.03932	2.3
55.01216	1.3
55.01857	3.7
55.05262	1.4
55.05508	18.7
56.96570	7.3
57.03415	4.0
57.07061	4.5
57.55157	1.4
65.03912	2.5
67.05502	38.2
69.03388	2.1
69.06776	1.4
69.07066	16.5
71.04986	2.7
71.06564	1.3
71.59711	2.1
77.00892	1.7
79.05064	2.4
79.05492	36.6
81.03401	4.0
81.07054	69.8
82.07373	1.4
83.04951	5.4
83.08607	4.1
85.06540	3.2
91.05476	22.4
93.06464	2.8
93.07040	46.7
95.04953	10.9
95.08600	36.9
97.06519	10.6
97.10139	4.5
98.97574	2.6
99.08078	2.7
103.05415	1.5
105.07023	20.7
107.04949	3.6
107.08589	31.1
109.06516	24.3
109.10158	21.6
111.08096	2.4
115.05417	2.5
116.98634	2.1
117.07028	11.3
119.08572	20.8
121.02943	1.4
121.06473	6.3
121.10147	26.4
123.08055	6.5
123.11710	11.0
125.09634	1.4
129.07019	2.5
131.08571	17.8
133.10118	14.2
134.99590	2.0
135.08066	7.4
135.11696	17.3
137.09589	12.7
137.13268	3.0
139.11200	3.5
141.06967	2.1
143.08513	4.0
144.09404	1.9
145.10109	18.7
147.10777	1.4
147.11693	12.8
149.07440	1.9
149.09618	7.2
149.13234	10.2
151.11162	12.3
157.10194	2.3
159.11696	13.2
161.13229	6.2
163.11214	9.0
163.14790	4.7
165.12743	6.3
168.58527	1.2
171.11707	2.4
173.09625	2.3
173.13297	10.1
175.14830	3.7
177.12729	4.6
179.14264	4.2
183.11713	3.6
185.13145	1.7
187.14839	7.6
189.09129	1.5
189.16345	3.0
191.14316	4.0
201.04286	2.3
201.09587	1.4
201.12755	4.1
201.16368	3.2
203.17960	2.1
205.15947	2.0
219.21051	1.8
229.12199	2.9
229.19510	37.8
243.08946	3.0
247.09769	1.9
247.13106	6.5
247.16856	6.3
247.20563	100.0
248.20908	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
54.16838	1.1
55.05493	3.2
57.07063	2.0
61.56639	0.9
63.49054	1.0
67.05505	7.3
69.07067	6.8
70.96995	1.9
71.08607	0.9
74.96687	1.0
79.05498	6.6
81.07050	15.9
83.08605	2.8
89.34451	0.9
91.05482	7.7
92.89929	1.0
93.07048	19.2
95.04929	1.0
95.08044	1.7
95.08604	20.2
98.98460	5.8
104.99257	2.7
105.07022	9.4
107.07870	1.2
107.08597	20.2
109.06530	1.7
109.10159	11.5
111.08099	2.3
117.06984	2.9
119.08598	12.9
121.10148	13.4
123.11696	5.2
131.08572	10.9
133.10129	20.0
135.11687	10.8
137.13234	1.1
139.11218	1.5
143.08636	1.2
144.09357	2.0
145.10121	10.7
147.11705	7.9
149.13245	3.6
151.11223	1.4
153.12708	1.3
159.11708	12.5
161.13252	2.9
165.12697	1.8
171.11661	2.4
173.13264	18.2
185.13283	2.3
186.14046	1.8
187.14839	9.5
189.16397	14.8
200.15712	1.5
201.16432	2.6
214.17221	1.3
229.19504	100.0
230.19850	1.9
247.13562	1.0
247.16833	2.0
247.20581	41.2
247.24231	3.4
248.20744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03934	2.8
55.01860	3.6
55.05507	23.7
57.03426	1.1
57.07055	1.2
59.05002	1.1
65.03922	1.3
67.05504	14.9
69.03413	1.9
69.07071	4.5
71.04970	2.3
71.60111	1.2
77.03920	1.2
79.05490	42.1
80.23206	0.8
81.03394	1.9
81.07057	12.8
83.04964	2.5
83.08612	5.4
91.05471	9.1
93.07045	26.9
95.04958	5.4
95.08598	8.6
97.06514	1.7
97.10180	7.3
104.99250	3.0
105.07032	11.4
107.04953	38.5
107.08592	17.0
109.06522	2.1
109.10159	7.3
111.08073	0.9
117.07030	4.9
119.08586	5.7
121.06492	2.7
121.10145	14.5
121.86337	0.8
123.08052	1.5
123.11688	2.9
125.09612	3.1
129.06987	1.3
131.07809	0.9
131.08600	8.3
133.10117	6.3
135.08064	1.1
135.11710	4.8
137.09599	1.4
143.08635	1.0
145.10109	4.7
147.11700	4.3
149.09615	100.0
150.09947	1.3
151.11217	2.2
159.11670	5.2
161.13249	2.3
163.11176	3.5
163.14781	1.1
173.13275	2.7
177.12779	2.5
187.14809	1.6
189.16441	1.6
201.09656	1.3
201.16380	3.1
205.06767	1.0
220.75926	0.9
229.19412	5.1
242.40996	1.1
247.17062	4.0
247.20566	89.0
248.07295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
58.06588	2.3
58.06838	0.3
59.07373	2.3
59.97593	0.3
60.05648	2.2
65.85624	0.3
67.32224	0.4
70.06594	13.2
71.04992	3.0
71.06945	0.4
71.07443	0.5
71.07815	0.8
72.08159	8.1
84.04502	0.9
84.08114	0.4
86.09712	4.7
88.07642	0.8
97.04018	2.2
99.18513	0.3
102.05556	0.4
104.10742	13.1
112.08739	5.5
113.90113	0.3
115.05038	1.1
118.08656	100.0
119.01856	0.4
119.08971	0.5
130.05026	0.6
130.09769	25.2
133.47302	0.3
143.63966	0.3
145.03468	0.5
148.06091	1.4
173.02925	0.4
247.04272	1.0
247.12798	0.5
247.17792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05508	4.6
57.07081	1.1
59.57799	0.8
63.22446	0.8
65.75055	0.9
67.05510	8.9
67.21440	0.8
69.07057	3.9
71.59231	1.8
79.05498	7.7
81.07059	13.2
83.08610	3.4
91.05473	7.8
93.07047	17.2
94.12929	0.8
95.04964	1.5
95.08607	19.1
97.10155	1.4
101.99625	0.7
105.07030	12.8
107.08607	16.8
109.06530	1.4
109.10158	10.2
109.38299	0.9
111.08078	1.3
117.07003	3.3
119.08588	14.4
121.10139	12.1
121.45138	0.9
123.08078	1.1
123.11704	4.0
130.07758	1.0
131.08586	10.7
133.10141	21.6
135.08102	1.0
135.11676	8.7
137.09651	1.1
139.11215	1.1
143.08505	1.2
144.09312	1.3
145.10127	11.6
147.11700	7.8
149.09578	1.0
149.13226	2.8
151.11180	2.7
157.10083	0.9
158.10988	1.3
159.11702	15.5
161.13274	2.8
165.12653	1.1
171.11665	3.3
173.13272	18.7
174.47855	1.0
175.14751	1.2
177.09062	1.3
185.13272	2.9
186.14005	2.7
187.14818	9.1
189.16403	9.3
199.14780	1.9
200.15555	1.8
201.16400	6.5
203.17937	2.0
229.19518	100.0
230.19896	2.3
241.85428	1.0
247.16753	2.5
247.20570	41.7
248.20778	0.9
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
50.61226	2.3
52.03891	2.4
53.03937	3.7
55.01868	15.8
55.05505	11.7
56.96571	17.7
57.03445	3.1
57.07060	12.1
59.05002	3.7
63.04505	3.0
65.37508	2.6
67.05499	23.2
69.03423	15.4
69.07063	20.6
71.04988	6.3
71.60332	3.0
79.05502	25.7
81.03420	6.5
81.07043	40.8
83.04969	10.5
83.08593	7.6
85.02911	5.1
85.06556	15.4
91.05473	37.4
93.07037	42.2
93.87514	2.5
95.04964	32.1
95.08604	38.3
97.02891	4.4
97.06536	13.4
98.97572	12.1
98.98477	3.7
102.46882	2.5
103.05459	4.6
105.06374	4.5
105.07026	53.8
107.04948	6.9
107.08595	49.0
109.02842	4.4
109.06528	45.0
109.10142	15.4
115.05449	4.5
116.98627	14.8
117.07009	21.8
119.08582	49.3
121.06516	13.5
121.10143	38.1
123.08061	8.5
123.11696	5.9
127.03909	3.0
128.06201	5.4
129.06998	12.5
130.07791	9.8
131.00195	3.5
131.08551	38.1
133.06523	3.5
133.10129	32.3
134.99615	12.0
135.08061	31.0
135.11658	11.2
137.09604	8.0
139.11153	3.1
141.06976	6.0
142.07753	6.3
143.08575	14.4
144.09354	5.5
145.06485	6.6
145.09029	5.4
145.10120	72.4
146.99683	4.5
147.08035	22.6
147.11679	24.8
149.09587	24.5
149.13269	4.9
155.08557	6.7
156.09256	4.4
157.10094	10.3
158.07205	4.5
158.10854	3.4
158.99666	5.5
159.08046	12.1
159.11691	38.6
161.05891	2.6
161.09558	13.1
161.13235	8.0
163.11151	10.7
163.14841	4.1
167.08640	3.9
169.10086	13.9
170.10841	4.2
171.11719	17.6
173.09622	30.4
173.13261	17.2
175.11209	4.6
177.00674	8.1
177.09032	5.8
181.10139	6.6
183.11696	5.1
185.13266	8.4
186.10385	4.0
187.11139	12.3
187.14799	10.7
189.12700	5.4
191.02307	3.6
191.10690	19.1
191.14301	3.2
196.12524	8.7
196.97914	3.4
199.11179	11.2
201.12737	11.1
201.16396	25.7
203.14336	5.4
211.14909	13.0
214.13531	12.5
229.00082	3.1
229.08575	3.9
229.12233	9.2
229.15881	45.2
236.09558	3.5
247.13165	11.2
247.16933	100.0
247.20476	5.2
247.24231	4.0
249.66914	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05519	1.2
59.76406	0.4
67.05508	2.2
69.07076	3.9
71.08595	0.5
71.59680	0.6
76.72892	0.5
79.05490	2.0
81.07054	4.3
83.08618	0.6
91.05491	3.2
93.07036	5.5
95.08605	4.4
105.07040	10.5
105.07741	0.6
107.00636	0.5
107.08590	6.1
109.10138	1.7
117.07024	2.9
119.08584	7.1
121.02840	0.6
121.06519	0.5
121.10138	2.8
123.08059	0.5
129.07036	0.8
130.07759	0.7
131.08559	10.4
133.10135	16.4
143.08612	1.3
144.09357	0.8
145.10129	20.2
147.11713	3.3
148.12430	0.6
155.08554	0.6
157.10164	1.4
159.08089	0.9
159.11700	8.0
161.09650	0.6
161.13231	1.6
169.13089	0.5
171.11644	0.7
173.09654	1.2
173.13304	6.0
175.14789	0.6
177.09116	0.8
179.10701	2.9
183.11700	0.7
186.13989	1.4
187.14931	0.6
191.10663	1.7
201.00740	0.9
201.16385	100.0
202.16704	1.7
203.17896	2.4
219.17453	3.5
229.15865	1.5
247.13020	1.8
247.16930	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	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
55.05482	2.3
57.03436	1.3
67.05487	4.2
69.07053	1.8
71.11824	2.1
71.12164	1.8
79.05479	4.0
81.07057	10.6
90.56523	1.1
91.05479	11.2
93.07040	8.4
95.04963	2.8
95.08578	2.7
103.05453	1.7
105.07027	22.8
107.08568	2.4
109.06499	2.2
109.10108	1.8
115.05402	1.9
117.07006	22.0
119.08572	9.5
121.06480	3.2
121.10152	1.7
123.08073	1.2
128.06161	5.8
129.06978	4.9
130.07762	3.1
131.08574	27.6
133.10121	4.4
139.07506	2.0
141.06984	3.8
142.07797	4.1
143.08560	29.8
144.09344	2.4
145.06456	2.5
145.10117	100.0
146.10600	1.6
147.11711	1.6
149.05923	1.5
149.09593	1.3
153.06932	1.5
155.08542	13.9
157.10136	6.6
158.10910	2.7
159.06836	1.1
159.08035	7.5
159.11719	2.9
161.09558	1.8
163.07503	2.3
163.11172	2.9
165.09117	1.1
168.09378	8.8
169.10080	1.8
172.08827	1.6
173.09628	16.5
173.13261	46.0
174.13544	1.4
175.11278	1.3
175.14787	1.7
183.11700	23.5
185.13231	1.3
187.11212	1.6
191.10658	2.4
193.10129	2.6
201.12740	34.7
203.14212	1.4
205.08594	1.4
211.11182	3.9
219.13799	18.8
229.12262	17.6
247.13293	73.4
247.20551	4.0
248.13599	1.9
265.14301	1.9
266.35193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	3.7
55.05502	4.0
56.96543	1.5
57.07067	2.0
57.86713	1.1
59.49639	1.0
65.03928	4.6
67.05489	4.3
69.03429	18.7
69.07068	2.2
70.78151	2.4
70.78498	2.0
74.24050	1.0
79.05488	9.1
81.07076	8.9
83.04980	18.6
91.05482	15.8
93.03392	4.2
93.07047	14.3
95.04990	5.4
95.08606	3.2
97.02890	7.4
105.07032	13.8
107.04942	2.3
107.08585	14.2
109.02872	10.6
109.06538	9.0
109.10157	3.2
111.04444	5.9
111.08105	2.0
115.05431	3.2
116.06133	1.2
117.07001	11.6
119.08585	17.8
121.02856	3.8
121.06509	15.0
121.10157	8.3
121.67213	1.0
123.08073	2.0
125.05946	1.5
128.06200	4.2
129.07030	6.5
130.07748	2.5
131.08556	15.7
132.05705	2.9
133.10133	8.7
135.08057	26.5
135.11668	1.1
137.05992	5.5
137.09593	3.4
141.07019	1.4
142.07813	2.7
143.08568	11.1
144.09375	8.9
145.06509	10.4
145.10136	13.7
146.07310	1.4
147.08015	4.2
149.05983	3.2
149.09627	20.2
150.10399	3.7
151.11278	2.4
153.07007	2.5
153.09073	2.0
155.08549	5.1
157.06459	1.9
157.10101	3.9
157.81396	1.1
158.07275	2.0
158.10931	11.1
159.08089	11.9
159.11685	24.5
160.08798	3.9
161.09615	3.9
163.07538	19.8
163.11177	2.5
165.09113	2.7
167.08633	1.2
168.09346	3.3
169.10089	3.3
170.10954	5.5
171.08040	8.1
172.08852	16.3
173.09624	26.6
173.13269	33.1
175.07594	1.8
178.81157	1.2
181.06454	2.6
183.11719	10.3
185.09619	2.9
185.13344	1.7
186.10406	21.1
187.11185	100.0
188.11549	2.8
189.09120	2.7
191.07033	37.5
193.10175	2.6
195.08028	1.6
196.08882	5.9
199.07535	2.0
201.12755	58.5
202.13206	1.5
203.14310	2.1
205.12213	5.1
211.11142	11.2
211.64687	1.3
214.09860	3.2
219.13806	4.7
229.12244	64.3
247.13304	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.45473	1.0
53.03938	1.0
54.13003	0.9
55.05509	1.8
57.03413	1.1
57.41948	1.0
59.06311	0.9
65.03926	1.0
66.65201	1.2
67.05502	1.7
69.07058	1.9
69.55527	7.7
79.05505	4.7
81.07060	9.9
83.04961	1.3
91.05479	12.1
93.07034	7.6
95.04935	1.2
95.08597	2.5
98.20800	2.2
98.97610	1.9
103.05445	1.8
105.07027	23.4
107.04990	1.4
107.08588	1.7
108.94658	0.9
109.06534	1.3
115.05468	2.3
116.98640	1.0
117.07020	22.2
118.07400	1.1
119.04914	1.7
119.08571	10.1
121.06474	2.6
127.32835	0.9
128.05421	1.2
128.06204	5.3
129.06989	5.1
130.07787	4.8
131.08580	28.2
133.10153	5.0
135.08075	1.2
139.02248	1.0
139.07559	1.6
141.07030	2.5
142.07773	4.7
143.08571	26.3
144.09305	1.9
145.06448	2.8
145.10123	100.0
146.10861	0.9
147.08047	1.1
147.11676	1.2
149.05920	1.1
149.09605	1.7
153.06921	1.3
155.08549	13.7
157.10103	6.0
158.07301	1.8
158.10893	1.9
159.07977	6.0
159.11681	4.1
161.09589	1.1
163.07568	1.9
163.11220	1.9
168.09430	6.2
169.10124	1.7
171.08093	1.6
172.08873	1.9
173.09666	12.1
173.13261	45.9
174.13618	1.8
175.14857	2.2
183.11697	23.0
185.09615	1.1
185.13237	1.8
187.11253	1.3
189.09135	1.1
191.10652	3.2
191.14223	1.3
193.10159	2.0
201.12747	31.1
202.13132	1.5
205.08607	1.8
211.11176	4.7
219.13815	17.0
229.12273	15.4
243.76059	1.2
247.13312	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.57720	0.9
53.03929	1.5
55.05507	3.0
56.96565	2.1
57.03410	1.4
57.07065	1.8
67.05502	4.1
69.03421	1.7
69.07059	3.2
70.45691	1.7
70.46045	2.4
71.04977	1.0
72.75263	1.0
79.05495	6.0
81.07062	11.2
83.05008	1.4
84.66080	1.1
85.06561	1.1
89.03954	0.9
91.05489	12.2
93.07045	9.1
95.04941	1.8
95.08597	3.4
98.97598	1.5
105.07033	22.4
107.08624	4.6
109.06528	2.6
109.10138	1.7
110.22115	0.9
111.04478	1.1
115.05413	1.6
116.06254	2.0
116.98653	1.7
117.07027	19.3
119.08569	11.1
121.06535	2.5
121.10181	1.9
128.06200	6.0
129.06998	5.5
130.07799	5.2
131.08571	27.2
132.09132	1.1
133.06485	1.6
133.10161	4.6
135.04387	1.0
135.08070	1.6
135.11710	1.1
137.06056	0.9
139.07600	1.2
141.07051	2.5
142.07770	3.6
143.07478	1.9
143.08565	27.8
144.09314	1.3
145.06499	4.1
145.10124	100.0
146.10669	1.3
147.07973	1.4
147.11685	3.2
149.01196	1.2
149.09567	1.1
153.06943	1.9
154.07750	1.0
155.08559	13.2
157.10143	5.8
158.07297	1.7
158.10893	2.0
159.08061	6.0
159.11688	4.4
161.09644	1.7
163.07567	2.5
163.11209	2.1
163.14873	1.8
168.09373	7.4
169.10150	3.2
171.08015	1.8
173.09650	14.7
173.13268	42.2
174.15901	1.0
175.14822	1.3
177.05486	1.4
177.09108	2.2
183.11702	22.6
185.09608	1.4
185.13274	1.5
186.10466	1.2
187.07532	1.9
187.11093	1.3
189.00850	1.8
189.09146	1.7
190.07628	1.3
191.08626	2.1
191.10663	3.3
193.10173	2.2
199.11209	1.1
201.12750	32.7
203.14348	1.3
205.08617	1.2
211.11232	4.3
218.83105	0.9
219.08070	4.1
219.13812	17.6
229.12288	13.8
247.07753	8.5
247.13301	72.7
247.17276	1.8
248.13507	1.0
265.14294	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1288
Annotation	H-Leu-Asp-OH
Peak:m/z	Relative Intensity
55.01871	0.7
55.05498	1.0
56.05032	1.1
56.96563	6.3
57.03435	0.9
58.06593	0.6
59.23249	0.4
61.01153	0.6
61.02925	0.7
66.92555	0.4
67.84449	0.4
69.03439	0.7
69.07068	3.8
69.23174	0.4
70.02934	0.7
70.06591	4.7
70.98121	0.8
71.01353	0.7
71.04996	1.0
71.59464	0.7
72.08154	10.1
73.02921	1.0
74.02425	0.9
83.04945	0.5
84.04505	8.0
84.08137	3.2
85.02905	1.8
86.09705	100.0
87.10049	1.4
88.03985	4.0
88.99161	1.0
97.02919	1.3
97.04016	15.0
97.05019	0.5
98.02437	0.6
98.97572	2.5
98.98476	1.3
102.05565	1.0
110.02384	0.6
112.08729	1.0
113.10765	0.7
115.05043	7.1
116.98608	2.7
118.08649	21.1
119.01927	2.0
127.03893	0.6
129.10194	0.6
130.04996	0.6
130.09749	4.6
130.10593	0.7
132.10219	2.9
133.01610	0.6
133.03468	0.6
134.04527	1.2
134.99701	2.6
137.02884	0.5
139.05006	0.7
141.10257	1.0
146.99649	1.3
147.03265	0.4
150.05540	1.1
150.96887	0.5
153.00758	0.6
156.10266	0.5
157.03537	0.6
161.01143	0.6
161.03009	0.6
162.99129	0.5
163.05032	0.5
165.00735	2.4
166.08646	1.2
173.03120	0.5
177.00694	0.8
183.01761	0.7
183.11285	4.2
183.12451	0.4
187.10844	0.9
193.00243	0.8
196.54819	0.5
201.12286	2.5
205.00192	0.5
206.06773	0.6
211.10777	0.6
212.09201	1.4
212.50339	0.5
223.01288	1.7
224.08185	1.1
229.03291	0.9
229.11835	3.6
230.07004	0.9
237.02814	0.5
247.04224	4.5
247.09476	1.5
247.12886	3.8
248.07999	2.2
260.35037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
50.70927	0.2
51.34388	0.2
53.62263	0.2
55.01876	0.2
56.96560	1.1
57.03437	1.7
57.07072	2.9
58.06601	0.8
60.08165	7.8
69.03426	0.9
70.20451	0.9
79.05487	0.3
81.07050	0.5
84.08141	0.9
84.96042	0.3
85.02901	100.0
85.06536	3.4
86.03232	0.4
86.09702	3.9
87.10042	2.3
89.04990	0.2
91.05493	0.3
95.08599	0.4
97.02879	0.6
98.21395	0.3
98.97572	0.7
103.03953	0.3
103.07625	0.3
105.07019	0.6
116.98639	0.8
119.01848	0.3
128.98625	0.6
132.10139	0.3
133.06488	0.5
133.10443	0.3
134.99681	0.4
136.07582	0.3
142.03178	0.4
143.03539	0.6
144.10178	2.0
146.99640	0.6
161.05988	0.4
177.00713	0.5
187.09653	9.9
200.11452	0.3
215.05818	0.3
224.06210	0.7
229.09015	0.4
237.08850	0.3
238.09596	0.5
246.16997	28.3
247.17433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36445	0.9
56.60152	1.2
60.18482	0.9
63.83492	0.9
68.14890	1.0
69.07027	1.0
70.06580	3.8
70.64939	2.1
70.65340	2.3
72.08157	17.3
86.09695	4.3
88.03980	1.4
97.04019	1.8
98.98464	3.0
117.83227	0.9
118.08651	25.5
123.96040	1.1
130.05037	1.5
130.09776	6.8
132.10181	1.2
148.06032	3.3
164.01007	1.0
167.03151	2.4
177.50356	1.0
199.93820	1.0
201.12360	1.3
229.03188	31.9
247.04250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
52.10466	0.3
55.05502	0.8
56.05025	0.8
56.96563	1.1
57.03434	0.4
57.05796	0.3
58.06598	0.3
60.04520	0.3
69.03426	0.4
69.07066	12.6
69.94979	0.7
69.95398	1.2
70.06593	2.8
71.04994	0.4
72.08153	0.4
73.02917	0.4
73.75574	0.3
79.05481	0.6
81.03422	0.3
81.07040	0.4
83.04981	1.3
84.04499	1.3
84.05318	0.4
84.08144	3.1
85.02903	3.5
86.03250	1.3
86.06051	0.6
86.09704	100.0
87.10034	0.8
88.04012	0.4
91.05478	0.9
93.07056	0.3
95.08591	0.4
97.02893	0.7
98.97584	0.9
99.04472	0.4
100.07585	0.3
105.07046	0.5
116.94189	0.3
116.98646	0.8
120.08131	0.4
124.07613	0.5
126.02271	0.3
129.07050	0.4
129.10243	1.5
131.08565	0.4
132.10199	2.5
134.99690	0.6
137.06033	0.4
142.03244	0.9
143.08563	0.5
158.99600	0.3
161.02942	0.3
171.11731	0.4
171.78291	0.3
177.00870	0.3
181.10130	0.4
186.08423	0.8
199.11288	0.6
199.18091	1.4
209.09322	0.5
209.11508	0.3
226.11871	0.5
227.10649	0.4
241.03894	0.5
245.05064	0.3
245.09309	0.4
245.11629	1.3
245.15759	1.5
245.18695	3.6
246.13480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05502	0.5
56.96564	0.7
60.04491	0.3
65.45271	0.3
67.05508	0.3
69.07063	1.6
70.06577	0.9
71.41914	0.5
72.08152	0.7
74.01377	0.4
81.07034	0.5
84.08156	2.0
85.02901	2.4
86.09705	100.0
87.10036	0.4
91.05470	0.5
93.07035	0.7
97.02928	0.4
98.97577	0.7
105.07034	0.4
116.98675	0.4
119.08602	0.4
129.06984	0.6
129.10269	0.8
132.10208	4.6
143.08600	1.0
167.71092	0.3
171.11734	1.0
175.78392	0.3
189.04414	0.4
199.11192	0.9
199.18088	2.4
200.09444	0.4
245.09459	0.4
245.11623	1.8
245.18623	3.9
246.17055	0.8
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	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05513	0.4
56.05022	0.4
56.96563	1.2
57.05800	0.3
58.06592	0.4
63.36195	0.2
64.80186	0.2
67.05499	0.6
68.05031	0.3
69.03421	0.4
69.07069	11.3
69.61842	1.6
70.06570	0.6
75.54042	0.2
79.05494	0.5
80.05012	1.1
81.03431	0.3
81.07074	0.5
83.04975	0.4
84.04497	0.5
84.08147	0.3
85.02898	0.6
85.47310	0.2
86.09705	100.0
87.10026	0.5
91.05474	0.7
92.66012	0.2
93.07052	0.3
94.37019	0.2
95.04954	0.3
97.02902	0.2
98.97571	0.9
105.07044	0.9
107.04968	0.3
114.03766	1.0
116.98606	1.5
117.07039	0.5
119.08595	0.6
128.06245	0.6
129.07019	0.7
131.08600	0.6
132.10213	2.1
133.06412	0.3
134.99628	2.0
141.06953	0.3
142.03223	5.6
142.04291	0.4
142.07773	0.5
143.08554	2.1
145.10089	0.7
153.00746	0.4
155.08528	0.3
156.09386	0.8
157.10162	0.6
159.03290	0.4
165.07091	0.3
166.07803	0.4
170.02769	1.1
171.03267	0.7
171.11674	2.2
173.13336	0.3
177.00777	0.2
181.10162	0.7
183.11684	0.3
184.08873	0.8
185.09709	0.3
189.04248	1.1
195.07973	0.2
199.11180	3.9
199.18108	0.7
217.12334	0.6
227.10713	0.5
245.05424	0.2
245.11668	4.2
245.16095	0.4
245.18629	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
53.75808	0.3
56.57730	0.4
70.06596	0.5
70.75299	0.7
70.75636	0.5
86.09705	100.0
87.10030	0.8
91.05508	0.4
96.68468	0.3
96.78361	0.4
100.89591	0.3
107.69896	0.3
115.25028	0.3
132.10197	3.0
142.03252	0.4
143.08638	0.4
157.06627	0.4
157.41783	0.4
171.11761	1.3
181.10016	0.4
197.11496	0.4
199.11128	0.7
199.18100	1.0
227.08514	0.6
245.11786	1.5
245.18607	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Ferulin
Peak:m/z	Relative Intensity
55.01858	1.5
55.05499	3.4
55.35601	0.9
56.96555	2.1
57.07074	0.8
67.05489	2.1
69.03418	2.9
69.07058	1.4
69.69268	6.2
73.02906	1.1
79.05486	6.3
80.05009	4.0
81.07060	5.4
83.04975	1.2
86.09694	1.0
91.05486	8.8
93.07031	2.8
95.04972	1.5
95.08599	1.7
98.21461	0.9
98.97594	7.5
103.05498	0.9
105.07034	14.5
107.04944	2.0
107.08604	1.6
114.03761	2.3
115.05428	5.9
116.98637	4.8
117.07017	10.1
119.04948	2.2
119.08551	4.3
121.06512	1.6
121.10194	0.8
128.06226	11.1
129.07007	25.8
130.07771	2.8
131.08574	10.8
133.06509	1.3
133.10130	1.3
134.99651	3.1
136.26643	0.7
141.06949	5.9
142.03226	19.2
142.07771	7.1
143.04951	1.1
143.08559	45.4
144.09315	0.8
145.06461	3.0
145.10133	11.5
147.08022	1.9
149.01212	1.0
153.05717	0.8
153.06999	3.2
154.07762	1.5
155.08577	4.0
156.09335	10.0
157.06491	6.2
157.10135	7.2
159.08101	2.6
159.11717	1.0
161.05957	2.7
161.09644	1.9
165.06961	6.8
166.07738	10.1
167.08484	1.3
168.09380	1.5
169.06479	1.3
169.10126	4.3
170.02704	4.2
170.07236	1.3
171.08063	6.6
171.11687	58.8
172.08763	2.1
172.12164	1.1
173.09587	2.6
173.13220	1.7
175.07503	1.6
177.00676	1.3
179.08543	0.9
181.10114	19.2
183.11734	1.7
184.08853	6.1
185.09694	1.5
185.13263	1.2
189.05498	1.1
189.09068	2.3
189.12766	1.3
197.09618	1.2
199.11180	58.7
200.11763	2.0
201.12637	1.1
202.98569	1.0
203.07005	1.8
209.09589	1.8
212.08394	1.2
217.12257	13.5
227.10663	12.1
245.11742	100.0
246.12141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Linderalactone
Peak:m/z	Relative Intensity
55.01874	1.6
55.05501	3.3
56.96548	3.7
64.99210	0.8
67.05483	1.8
69.03426	1.7
69.07053	1.3
70.06599	1.8
71.04976	1.0
71.12162	2.0
72.40989	0.9
73.02882	1.2
75.67496	0.9
77.51563	0.8
79.05494	7.7
79.28184	1.0
81.07048	5.4
86.09689	2.7
91.05468	11.3
93.07043	3.1
95.04964	2.3
95.08582	1.3
98.59000	0.9
98.97561	2.7
103.05484	0.9
105.06376	1.5
105.07034	18.9
107.04916	2.0
107.08551	1.9
109.06519	1.4
115.05453	7.0
116.98609	3.9
117.07013	13.4
119.04922	2.0
119.08567	5.6
121.06474	1.1
128.06207	14.1
129.06999	29.2
130.07768	4.0
131.08551	11.2
133.06485	2.4
133.10130	1.3
134.99660	2.0
141.06989	7.1
141.38223	0.8
142.03207	3.2
142.07758	7.1
143.04889	1.8
143.08557	49.6
144.09300	0.9
145.06442	2.4
145.10124	16.0
147.08025	2.7
149.05908	1.2
153.06943	1.5
154.07751	1.4
155.08632	6.0
156.09325	11.8
157.06471	6.2
157.10132	7.4
159.08014	2.3
161.05978	2.9
161.09703	1.6
164.07930	1.1
165.05705	1.0
165.06964	4.4
166.07799	9.4
167.08488	1.3
168.09338	1.3
169.06430	1.1
169.10135	4.1
171.08073	4.8
171.11682	66.1
172.12154	1.7
173.09518	1.2
173.13257	1.8
175.07573	2.5
181.10101	18.4
183.11662	2.0
184.08815	3.6
185.05807	1.0
185.09550	1.4
189.05496	1.6
189.09048	2.3
189.12726	1.8
199.11172	68.9
200.11661	2.1
201.12746	1.4
203.06960	1.5
209.09718	1.4
217.12236	16.3
227.08449	5.8
227.10652	10.7
245.11723	100.0
246.12090	2.7
263.12625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1171
Annotation	Ferulin
Peak:m/z	Relative Intensity
51.14182	0.7
55.01864	2.1
55.05515	4.5
56.96560	5.5
57.03416	1.5
59.85497	0.8
65.19385	0.8
67.05499	4.2
69.03429	4.2
69.07068	2.1
71.04987	1.6
71.59622	1.6
72.08126	1.7
73.02914	1.3
79.05487	7.2
80.05004	1.6
81.03384	1.8
81.07056	6.0
83.04949	1.3
85.02884	1.7
86.09690	1.6
91.05479	12.4
92.05807	1.7
93.06123	1.0
93.07027	4.0
95.04936	2.2
95.08588	2.7
96.77048	0.9
97.02878	1.2
97.06512	2.1
98.97572	8.3
105.07033	17.8
107.04956	4.6
107.08557	3.1
108.05248	1.3
109.10124	1.3
114.03758	1.4
115.05460	5.2
116.06232	2.0
116.98615	6.2
117.07008	9.8
119.04921	1.8
119.08550	4.0
121.06488	2.0
123.04334	0.9
123.98164	0.9
128.06216	13.2
129.06999	29.1
130.07742	3.0
131.00119	1.0
131.08575	11.7
133.06477	1.6
133.10120	1.6
134.99648	4.3
135.08023	1.0
141.06999	6.4
142.03238	5.9
142.07787	8.5
143.08556	42.9
145.06485	3.5
145.10120	11.7
147.08035	2.7
147.11684	1.0
149.01199	1.1
149.05965	1.7
153.06993	2.8
154.07730	1.7
155.08563	5.9
156.09328	12.5
157.06477	6.6
157.10126	10.0
158.07285	1.6
158.99701	1.4
159.08002	4.1
159.11693	1.6
160.97522	1.5
161.05974	2.7
161.09615	1.7
165.07013	4.2
166.07767	8.6
167.08488	1.2
168.09412	1.4
169.06512	1.6
169.08771	1.1
169.10120	3.8
170.02733	1.4
171.08054	5.4
171.11685	61.7
172.08769	1.4
172.12241	1.4
173.06378	1.0
173.09621	1.7
173.13254	1.9
174.10321	1.4
175.07544	2.9
175.11163	2.6
177.00710	2.0
181.10114	21.7
183.11603	1.1
184.08830	5.6
185.09634	2.2
185.13258	1.6
187.11284	1.2
189.05519	1.1
189.09065	2.2
189.12756	1.9
199.11179	61.6
200.11681	1.0
201.12712	1.1
203.07040	1.2
203.10745	2.2
209.09607	1.5
212.08357	1.3
217.08897	0.9
217.12228	16.9
227.10657	13.0
227.14247	1.5
230.09274	0.9
245.11723	100.0
245.18849	1.8
246.12073	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1171
Annotation	Linderalactone
Peak:m/z	Relative Intensity
55.05499	1.5
62.93700	1.1
67.05483	1.5
71.20780	2.5
79.05473	5.0
81.07046	5.0
84.23262	1.0
91.05475	12.0
93.07026	3.5
95.04993	1.3
98.97559	1.2
100.80732	1.0
105.07030	15.6
107.04929	1.5
115.05426	5.4
117.07026	9.0
119.08579	3.4
128.06232	12.6
129.07007	29.4
130.07764	3.5
131.08568	10.9
135.04407	1.5
141.06958	5.5
142.07796	7.2
143.04860	1.2
143.08563	44.4
143.09692	2.2
145.06512	2.4
145.10115	13.3
147.08070	2.2
148.62373	1.2
153.06958	1.7
154.07791	1.9
155.06110	1.3
155.08565	5.5
156.09344	13.1
157.06494	5.4
157.10150	6.3
159.08061	1.6
161.05995	3.1
161.09607	1.2
165.06985	4.9
166.07759	8.0
168.09303	1.4
169.10152	4.0
171.08061	4.1
171.11690	61.5
172.12366	1.5
173.09741	1.1
173.13277	3.0
175.07675	2.3
181.10110	19.3
184.08772	3.3
189.09109	2.0
189.12708	2.7
199.11183	64.2
201.12637	2.0
203.07024	1.9
209.09666	2.3
209.51953	1.2
217.12236	17.0
217.14238	1.5
227.10652	9.9
245.11745	100.0
246.12086	1.8
263.12839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Linderalactone
Peak:m/z	Relative Intensity
55.01876	1.1
55.05515	2.5
67.05515	1.1
69.03419	0.6
70.66346	1.1
70.66705	0.8
73.02926	0.8
79.05489	3.6
81.07042	3.0
83.04970	0.6
85.59055	0.4
88.83022	0.4
91.05485	6.2
93.07050	2.6
95.04954	1.1
95.08577	0.4
98.97585	0.6
102.85457	0.4
103.05450	0.9
105.07034	13.3
107.04947	1.1
107.08602	1.0
114.70321	0.4
115.05467	5.4
116.06219	0.8
117.07018	7.8
119.04922	1.2
119.08594	2.1
121.06504	1.5
128.06229	9.3
129.07007	25.8
130.07825	2.7
131.08572	8.5
133.06488	1.2
141.06996	5.3
142.03227	1.9
142.07773	5.1
143.04912	1.8
143.08560	39.9
144.09244	0.8
145.06451	1.7
145.10118	9.3
147.08054	1.4
149.05954	0.7
153.06964	1.3
154.07773	1.3
155.05994	0.6
155.08539	3.4
156.09325	7.2
157.06500	5.6
157.10147	5.6
158.07262	0.8
159.08034	1.0
161.05980	1.4
161.09618	1.3
161.29443	0.5
165.07042	3.5
166.07788	6.1
167.08478	1.0
168.09286	0.6
169.06458	0.6
169.10117	3.5
171.08101	3.9
171.11690	58.5
172.12198	1.5
173.09625	1.0
173.13297	1.0
175.07545	1.4
181.10123	16.4
183.11691	0.9
184.08812	3.0
185.09566	1.0
189.05469	0.9
189.09145	1.7
189.12804	1.1
199.11180	55.0
200.11757	2.1
201.12769	0.6
203.07089	1.2
209.09528	0.9
217.08846	0.7
217.12250	13.1
227.10658	5.1
245.11732	100.0
246.12152	2.0
263.12753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05504	1.3
56.96549	0.8
57.03445	0.3
65.38389	0.2
67.05485	0.6
68.99773	0.8
69.03429	0.3
70.06580	0.4
72.08150	5.4
79.05474	0.6
80.05014	0.5
80.17735	0.2
81.07047	0.5
83.04962	0.3
86.09698	4.0
87.00815	1.0
91.05474	0.7
93.07022	0.6
95.04974	0.4
95.08597	0.8
97.10175	0.3
98.97565	0.9
100.11253	0.3
104.14462	0.3
105.06997	1.1
107.05032	0.3
107.08536	0.3
114.03738	0.3
115.05450	4.2
116.98600	1.1
117.05753	4.1
117.07017	0.7
118.06541	3.5
119.08607	0.5
128.06201	0.5
129.07018	2.4
130.06516	11.9
130.07484	0.6
131.07199	0.4
131.08575	0.5
132.08083	54.7
133.06499	0.4
133.08409	1.0
134.99649	0.4
135.07986	0.4
140.04955	0.7
142.03218	1.6
142.06514	8.1
142.07639	0.4
143.07278	0.9
143.08543	1.6
144.08052	0.7
145.10136	0.5
146.11778	1.7
149.13179	0.3
154.06506	1.2
156.06871	0.5
156.08081	4.9
156.09267	0.4
157.06412	0.4
157.07607	8.2
157.08870	0.5
157.10042	0.5
158.06055	2.6
158.08376	6.8
158.09561	0.3
159.09166	100.0
160.07576	10.4
160.09566	1.5
166.06540	0.5
166.07803	0.4
167.06027	4.9
167.07361	0.3
170.02742	0.6
170.06013	3.9
171.06723	0.5
171.09192	1.0
171.11658	0.8
172.07510	1.3
181.07622	2.0
181.10100	0.4
182.05943	1.3
183.09157	1.4
184.07567	17.3
185.07091	49.1
186.07527	0.7
196.54889	0.3
198.05498	0.5
199.08789	2.3
199.10899	1.3
200.07076	7.6
201.10219	13.0
209.07143	1.6
217.12253	0.4
227.08141	40.3
228.08472	0.5
236.76405	0.3
245.09253	20.7
245.11737	2.4
245.15358	0.5
245.18861	0.6
245.22696	0.4
246.09444	0.5
247.53549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1544
Annotation	2-ethylacrylylcarnitine
Peak:m/z	Relative Intensity
53.03945	0.3
55.05510	2.1
55.56793	0.3
56.96571	1.7
57.03435	1.8
58.06610	0.7
59.05011	0.6
60.08161	3.5
62.65776	0.3
67.05508	0.7
69.07058	0.7
70.06580	0.6
71.04999	0.4
71.53155	0.3
71.59921	0.5
71.95277	0.3
79.05474	0.5
81.07071	0.8
83.04980	21.6
84.04494	0.7
84.08151	2.0
85.02903	100.0
86.03244	0.6
86.06082	0.7
86.09699	2.9
91.05497	1.1
93.07025	0.4
95.04976	0.4
95.08624	0.5
98.97593	2.1
101.06013	5.6
101.58116	0.3
102.09196	0.3
105.07055	0.4
107.08588	0.3
112.38213	0.3
113.64848	0.3
116.98594	1.7
126.02225	0.9
129.10254	1.0
134.99648	1.4
144.10220	1.5
146.99709	0.4
155.31023	0.3
158.99629	0.6
163.06993	0.4
176.38678	0.3
177.00742	0.9
178.13452	0.4
185.08090	21.5
189.05588	0.4
194.05045	0.3
198.09834	0.3
214.58630	0.3
215.42036	0.3
219.75261	0.3
234.09572	0.4
243.42683	0.9
243.76283	0.5
244.10187	1.1
244.15430	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	245.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	17.5
70.06582	17.7
71.59880	11.4
72.08121	5.8
77.00901	7.4
84.08175	13.4
98.97574	14.5
101.00873	17.4
104.10742	100.0
109.60590	6.6
116.98588	10.7
119.01917	80.7
125.07043	6.4
131.01901	23.1
134.99689	7.8
137.02902	15.6
143.01888	11.4
145.03452	17.7
150.12831	6.1
155.01868	24.0
157.03473	16.7
161.02942	25.7
163.04588	6.6
167.01855	7.1
173.02956	41.5
175.04477	9.2
185.02928	62.6
197.02960	28.2
203.04010	18.1
215.04047	11.3
221.04997	10.1
227.10445	6.1
245.04906	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	244.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11538	0.6
56.82964	0.6
56.96562	10.4
57.03423	3.0
59.72915	0.5
60.08165	22.5
61.02647	0.7
61.02929	9.7
61.91712	0.5
68.05043	2.9
70.06587	0.9
70.98123	1.1
71.95241	1.1
73.02907	0.8
81.03399	0.9
84.04462	0.8
84.08141	2.0
84.87197	0.6
85.02898	2.6
86.09711	1.4
89.00764	0.6
93.04525	1.5
93.70527	0.6
94.05304	1.7
95.06086	0.5
97.02852	0.9
98.01301	0.8
98.97578	3.8
99.01423	1.6
101.00912	1.2
102.92742	0.6
104.01293	0.6
111.00216	0.6
112.05083	3.4
116.98611	4.1
118.01016	0.9
119.01222	0.7
119.01928	5.7
121.01555	0.6
124.95475	1.0
126.02479	47.7
127.01517	1.0
127.03844	1.0
128.98633	0.6
131.01849	1.4
132.00778	0.8
134.03017	1.4
134.99670	5.1
137.02975	1.6
141.01263	3.1
141.04807	100.0
142.96509	1.7
144.99754	0.6
145.03445	1.5
146.99663	1.4
149.01283	0.7
150.01799	8.6
152.00496	0.7
153.00700	0.6
154.04794	0.6
155.01917	1.4
157.04369	1.4
159.02345	1.7
160.97617	3.1
161.02979	1.8
165.00708	1.6
173.01408	0.8
173.02988	2.5
174.99272	1.4
175.00742	1.6
175.04553	0.7
177.00742	1.0
177.02419	0.7
183.07617	0.8
184.01273	1.4
185.02834	3.6
188.07935	0.7
188.97057	5.9
191.02151	1.1
193.00174	3.2
197.02954	1.5
198.09857	1.1
200.12164	33.7
202.98637	2.1
203.03961	1.0
205.00151	0.8
205.01859	1.8
206.98141	5.8
214.02359	1.1
219.01744	1.0
220.99745	1.7
224.99237	0.8
226.02310	1.4
235.03003	0.9
244.08075	1.2
244.11069	6.3
245.05067	1.5
245.11864	1.0
254.22443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05500	2.0
56.05025	1.4
56.96565	36.4
57.03430	3.4
58.77364	0.7
59.04988	1.0
60.07871	1.1
60.08167	21.5
60.95836	1.3
61.02933	5.2
68.05020	3.8
69.03432	2.4
69.07071	1.6
70.02947	1.0
70.06245	0.9
70.06595	12.7
70.78110	1.9
70.98114	1.4
71.04973	1.6
71.95256	2.9
72.04483	1.3
72.08154	11.9
72.96020	1.4
73.02913	3.2
74.97617	1.7
78.46207	0.7
81.03411	1.7
82.06580	1.7
83.04942	1.1
84.04508	5.1
84.08144	16.7
84.08618	0.5
84.96017	1.8
85.02899	5.6
85.08464	0.9
86.09701	6.2
87.04446	1.0
87.10008	0.9
88.99174	1.8
93.04520	1.3
94.05310	1.9
95.01321	0.8
95.02442	0.9
95.06068	1.1
96.04435	0.7
97.02896	2.8
97.06507	1.8
98.06017	0.9
98.97585	11.2
99.01392	1.7
99.04467	1.0
101.10770	1.3
102.05549	1.0
107.00200	2.1
109.02911	1.1
110.09692	1.6
110.97590	1.3
112.05090	40.6
113.03503	7.7
114.09180	0.7
115.00668	1.1
115.03916	0.7
115.08717	5.9
116.00217	0.7
116.07081	2.1
116.97264	1.4
116.98608	11.9
117.98022	0.8
119.00207	0.8
119.01905	4.4
121.01688	1.1
123.97927	0.7
124.07616	1.1
124.95486	1.2
125.01840	0.8
125.07128	0.7
126.02480	46.3
126.54532	0.9
127.03972	0.7
127.18668	0.7
128.07115	0.7
128.98581	1.6
129.10249	3.8
130.05000	1.3
130.08618	0.8
130.09752	0.7
131.00163	2.3
131.01898	2.1
133.01680	1.3
133.04961	1.0
134.01251	1.4
134.03009	3.2
134.99658	16.6
135.00647	1.6
137.02934	0.9
138.05408	0.9
141.04810	100.0
142.96536	3.0
143.02829	1.1
145.01662	0.9
145.03485	1.1
145.97354	0.9
146.99658	4.0
147.11336	1.1
149.01227	2.1
150.00760	1.6
150.01840	1.2
150.03603	1.0
152.02274	1.1
152.04056	0.7
152.07106	1.2
153.00694	3.2
153.55930	0.9
157.04395	1.7
158.01208	0.8
158.08093	1.3
158.99655	1.3
159.02219	1.5
160.02707	0.9
160.97586	7.3
161.01242	2.1
161.02963	1.7
162.99062	1.1
163.02945	1.1
163.04419	3.9
165.00740	3.0
169.00029	0.9
170.08134	0.7
170.96065	1.1
173.02948	2.2
173.09219	0.8
174.99193	1.6
175.00650	0.7
177.00764	2.0
177.02589	0.7
177.04179	1.4
178.04938	0.7
178.55096	1.0
178.98613	0.9
179.02254	0.7
181.03735	1.0
181.09758	0.9
183.02174	0.8
184.01178	0.9
184.97469	1.2
185.44060	0.7
187.00391	1.7
188.07774	1.0
188.97076	13.9
189.00734	1.0
190.98659	1.7
191.02213	1.2
192.05391	0.7
192.98615	0.7
193.00151	3.8
198.09833	1.1
200.12175	32.0
202.01988	1.1
202.98642	4.3
203.02229	1.3
203.03951	1.7
205.01454	2.1
206.98126	15.0
211.01230	0.9
211.98740	0.8
220.99660	5.3
221.05136	1.5
224.99174	1.6
227.13878	1.3
230.01576	1.0
230.98203	1.2
237.02588	1.0
239.00813	1.4
244.07452	0.7
244.11017	5.4
244.13408	1.3
244.16539	2.7
245.05078	2.4
245.11803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Cytidine
Peak:m/z	Relative Intensity
51.24119	0.4
56.96557	1.6
57.03425	0.4
60.08160	1.9
68.05013	0.4
69.03422	0.9
69.04543	1.3
70.06593	4.0
70.25983	1.7
72.08154	1.1
73.02899	0.5
84.04504	1.7
84.08147	4.4
85.02895	0.8
86.03552	0.8
86.09708	0.8
95.02437	2.7
97.02914	0.4
98.97633	0.9
101.00894	1.0
101.10773	0.4
112.05089	100.0
113.05427	0.5
113.07142	0.5
115.02361	0.5
116.07067	0.5
116.98569	0.8
119.01900	4.1
121.07616	0.5
126.02491	3.1
129.10251	0.8
130.08594	0.4
131.01918	2.4
131.08160	0.8
133.03448	0.4
137.02913	0.6
141.04802	5.6
141.06531	0.5
143.01897	0.7
145.03455	0.7
149.02975	0.4
155.01877	2.6
157.03459	0.7
161.02954	1.6
163.04436	1.6
166.09753	0.8
173.02962	5.7
175.04524	0.5
184.06883	0.4
184.34367	0.4
185.02960	2.8
188.97035	0.6
191.03947	0.5
197.02901	0.7
200.04442	0.5
200.12167	1.7
203.04024	1.1
212.10376	0.8
221.05153	2.3
239.06149	1.6
244.07985	0.7
244.10455	0.9
244.12839	0.9
244.16458	0.9
245.05205	0.8
260.25555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.62516	1.6
56.96566	41.9
57.03440	11.9
60.08162	23.5
61.02925	50.4
68.05042	2.8
69.03456	1.6
70.06590	2.4
70.98135	3.9
71.42591	3.3
72.96029	2.7
73.02922	3.0
74.97610	2.0
81.03402	2.0
84.04504	2.2
84.08147	3.4
84.96041	3.8
85.02889	10.3
86.35458	1.6
87.00813	1.6
88.99166	3.2
89.00803	2.0
98.01302	3.1
98.97583	13.0
104.01308	1.9
106.01060	2.4
110.01313	2.0
111.00248	4.2
112.00987	2.2
112.05085	5.0
113.02360	5.4
115.71638	1.7
116.25050	1.6
116.98600	15.0
118.01054	3.1
119.01883	13.0
120.00777	2.9
124.95538	1.8
126.02493	46.0
127.01530	3.6
127.03911	3.5
128.98657	2.7
129.01308	3.2
131.01871	4.0
131.41997	1.7
132.00746	3.4
134.99652	13.9
137.02927	2.2
141.01274	15.5
141.04810	100.0
142.96527	7.2
145.03499	1.9
146.99648	4.6
149.01205	2.3
150.01799	45.3
150.51950	3.6
153.00713	2.9
155.01878	2.2
155.15910	1.8
157.02507	3.2
157.04414	1.9
157.89697	1.6
158.99599	2.8
159.02335	11.2
160.02031	2.0
160.97581	10.0
161.01138	3.7
161.02966	2.7
161.52560	2.5
165.00688	6.8
170.96069	2.0
173.02983	5.1
174.99171	5.9
175.00739	3.7
175.04439	2.2
177.00830	2.6
177.02388	2.8
178.98598	3.0
181.66742	1.9
184.01250	9.8
184.97662	1.8
185.02928	4.5
188.97064	17.4
189.00722	3.7
190.98625	5.1
191.02113	5.4
191.03944	1.7
193.00214	14.9
193.01735	3.0
196.01280	3.4
197.02902	2.4
200.12170	32.5
201.00623	2.0
202.98679	5.3
203.02083	3.6
203.03937	2.7
205.00168	3.5
205.01837	9.4
205.03459	1.6
206.98094	17.3
207.01602	2.9
211.01268	3.6
214.02377	6.2
215.04010	2.0
217.00203	2.0
219.01772	4.1
220.99644	7.8
221.05026	3.5
224.99171	2.3
226.02467	2.0
230.98093	3.2
235.01016	2.1
244.10849	5.4
245.05028	2.8
248.99226	2.3
260.99319	2.3
263.00815	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75411	0.8
54.39373	0.8
55.05307	0.7
55.05509	7.7
55.31287	0.9
56.96550	1.6
57.07064	2.7
67.05503	7.0
69.06726	0.8
69.07066	11.1
69.22636	0.7
71.42152	1.4
79.05484	6.2
81.03366	0.8
81.06573	1.6
81.07051	28.4
83.08602	2.8
85.59328	0.7
91.05472	11.9
93.07044	14.5
95.08606	23.9
95.39329	0.8
97.10157	4.2
98.97567	0.8
105.07026	25.6
107.07866	1.0
107.08585	16.8
109.10162	8.6
111.11707	1.8
115.05434	1.2
116.06214	1.7
117.06999	3.8
119.08572	27.9
121.10143	14.3
123.07969	1.0
123.11685	9.3
128.06227	2.6
129.06995	4.8
131.07576	1.3
131.08563	21.2
133.10130	16.0
135.11685	7.9
137.13213	1.1
141.06950	4.9
142.15891	0.8
142.78139	0.9
143.08533	3.0
143.16263	1.5
144.09305	2.7
145.10106	15.3
146.10843	1.2
147.11681	41.9
149.13232	8.0
153.06960	3.5
154.07767	7.4
155.08490	1.1
156.09341	3.6
157.10144	1.7
158.10876	1.4
159.08052	10.0
159.11679	31.9
161.13252	10.9
163.14838	4.2
169.10153	7.0
171.08076	1.1
171.11661	2.5
173.13268	20.0
174.14015	1.0
175.14778	2.9
179.08531	2.3
181.06413	1.5
182.07243	7.1
184.08878	1.0
185.13246	2.3
186.14113	1.1
187.07536	11.9
187.14847	15.5
187.22569	1.2
188.15439	1.0
197.09604	18.4
199.11166	2.4
199.14798	1.8
200.15614	1.8
201.16348	6.5
213.16351	1.3
215.10735	2.4
215.17859	4.2
225.09114	7.6
243.10181	22.8
243.14005	1.6
243.21074	100.0
243.28773	7.8
244.21371	1.9
255.33632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1021
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
53.03944	3.5
55.05512	15.1
56.96571	7.7
57.07073	2.8
64.09135	2.3
65.03931	4.5
67.05172	3.2
67.05505	48.2
69.03418	3.3
69.07063	9.9
70.80001	5.4
71.04929	2.4
79.05476	28.8
81.07053	45.9
83.08614	4.4
91.05474	35.1
93.07047	29.1
94.07405	2.7
95.04959	4.7
95.08607	39.8
99.04390	2.3
100.66942	2.1
105.07030	17.1
107.08567	11.1
108.08864	2.4
109.10153	10.2
115.05398	4.0
116.06210	5.1
117.07015	10.2
119.08585	10.9
121.10145	13.5
123.11733	6.0
127.46747	2.1
128.06203	5.4
128.39093	1.9
129.07024	10.2
131.08560	42.8
131.09500	2.7
133.10117	10.2
135.11688	6.0
136.93164	7.3
141.06987	16.2
142.07811	3.3
143.08540	5.4
145.10127	12.5
147.11661	5.0
150.94722	3.9
153.07024	10.5
154.07773	25.6
154.94156	16.4
155.08524	3.3
156.09334	8.9
159.08038	30.0
159.11713	12.3
161.13292	5.9
165.07024	4.1
167.08534	3.7
168.95728	6.7
169.10129	16.0
171.08116	4.3
171.11737	3.7
172.08820	5.0
172.95229	37.7
173.13326	10.8
179.08560	6.5
182.07283	27.2
184.08865	4.1
185.06036	3.2
186.96790	100.0
187.07530	39.9
187.14845	5.7
190.96304	25.3
195.96867	2.9
197.01360	4.8
197.09615	61.5
198.10110	2.5
199.11113	3.3
200.53194	2.5
204.97862	96.3
209.98415	11.8
215.02254	2.6
215.10760	2.7
224.98343	6.8
225.09099	23.7
227.99515	7.0
228.07916	3.1
242.28293	2.3
242.99535	16.8
243.10201	84.3
243.17368	3.5
243.21086	47.1
243.28780	7.5
244.10329	2.5
246.99202	3.1
261.00601	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05507	6.0
55.09489	0.6
57.07053	1.8
67.05505	19.1
69.06731	0.7
69.07063	5.3
71.05057	1.4
71.08633	1.0
79.05489	12.0
79.26426	0.6
81.07053	19.7
83.08614	3.3
91.05478	23.3
93.07037	12.8
95.04947	0.6
95.08604	16.2
97.10176	1.3
105.07025	19.5
107.08588	8.4
109.10150	10.5
115.05462	0.7
116.06251	1.3
117.06216	0.9
117.07021	11.2
119.08575	18.9
121.10134	11.5
123.11713	3.0
128.06198	1.3
129.06982	3.5
130.07762	1.1
131.08560	31.9
133.10126	17.5
135.11694	8.2
141.06905	3.0
143.08531	1.7
144.09390	0.6
145.10112	22.6
147.11685	17.0
149.13252	5.1
151.11153	0.6
153.06956	1.2
154.07751	3.9
155.08508	0.9
156.09283	1.9
157.10133	1.5
159.08080	4.6
159.11697	17.1
161.13252	23.3
163.14819	1.7
169.06544	0.7
169.10097	2.7
171.08029	1.1
171.11662	2.2
173.13255	21.3
174.13443	0.6
175.14804	5.1
181.06497	1.1
182.07236	3.5
184.08830	0.8
187.07520	4.9
187.13135	1.0
187.14796	14.5
189.16422	0.7
197.09613	8.5
199.11230	0.9
201.16435	5.2
215.17969	3.7
219.50507	0.7
225.09164	3.4
243.10190	12.6
243.21075	100.0
243.25119	7.1
243.28836	2.2
244.21471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
55.01833	0.8
55.05460	1.2
56.96512	2.7
57.03392	0.8
67.01842	0.9
67.05441	1.9
69.03429	9.4
69.07034	1.1
79.05444	1.3
81.07001	1.9
83.08562	0.7
91.05479	6.4
95.08578	1.1
97.06440	0.7
98.20715	1.4
103.05442	1.1
105.06970	2.1
109.06516	0.6
109.10088	0.6
115.05439	1.5
116.06220	1.5
119.04909	1.0
119.08479	0.9
121.10114	0.7
128.06194	6.6
129.06172	0.9
129.07001	11.5
131.07756	0.9
131.08580	8.5
133.10077	1.1
141.07007	12.6
142.07735	2.0
143.08572	4.4
145.06470	1.1
145.10114	1.4
147.08047	1.3
149.01149	1.2
149.02267	0.7
152.06134	3.0
153.06989	9.1
154.07777	25.1
155.08566	5.6
156.09390	3.5
157.06506	11.5
157.10063	1.5
158.07210	1.4
159.08063	13.5
159.11639	1.3
165.07050	4.0
166.07779	1.8
167.08560	5.9
168.05681	0.9
168.09332	1.6
169.06442	2.2
169.10135	25.3
171.08041	2.1
171.11630	1.5
172.08904	0.8
173.05951	1.4
175.07512	1.6
178.07751	3.2
179.08543	12.2
180.09340	0.9
181.06505	7.8
181.10112	2.3
182.07283	32.8
183.08061	6.1
184.08829	1.3
185.05998	7.3
185.09613	1.2
187.07558	15.8
187.11133	1.1
195.08061	1.3
197.09624	53.9
197.13284	2.9
198.10146	1.4
199.07512	1.8
199.11169	1.9
199.14514	0.8
201.09100	2.5
203.07037	12.8
207.08122	0.8
210.06717	1.5
215.10715	1.5
225.09108	98.2
226.09438	2.7
229.18668	0.7
243.10185	100.0
243.13672	3.6
243.21138	1.5
244.10545	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1014
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
54.55846	0.5
55.01879	0.7
55.05505	1.3
56.96569	1.4
57.03430	0.8
66.56264	0.5
67.05492	1.7
69.03419	3.8
69.07088	0.9
70.06579	0.6
70.77914	0.5
79.05514	0.9
81.03403	0.9
81.07048	2.5
83.08615	0.6
89.98643	0.5
91.05479	8.6
91.05994	0.7
93.07067	1.1
95.04985	0.8
95.08610	0.8
98.97608	1.7
100.11237	2.9
103.05434	1.0
104.79848	0.5
105.07011	2.8
109.06524	0.9
115.05479	2.0
116.06268	2.2
116.98662	2.0
117.07031	1.7
119.08618	1.4
123.11749	0.7
128.06201	4.5
129.00183	0.6
129.06999	7.1
130.07806	0.9
131.00188	0.6
131.08572	12.7
132.58815	0.6
133.06551	0.7
133.10185	0.9
134.99693	1.9
135.11777	0.7
141.06978	9.3
142.07838	1.8
142.12329	1.1
143.08580	6.7
144.09349	0.7
145.06564	1.2
145.07634	1.0
145.10121	2.5
149.01270	0.9
152.06206	1.2
153.06981	5.9
153.07964	0.5
154.07767	15.5
155.08540	3.8
156.09343	5.2
157.06540	2.4
157.10162	0.6
158.07314	2.0
158.10948	0.5
159.08046	17.0
159.11708	2.8
159.15022	1.4
165.07048	1.7
166.07816	1.9
167.08563	2.0
169.06561	1.7
169.10117	14.3
170.07217	1.5
170.64261	0.5
171.08061	6.5
171.11743	1.5
172.08792	12.0
173.09612	4.9
178.07852	1.1
179.08543	4.1
181.06514	3.0
181.10226	1.1
182.07262	12.8
182.08783	0.7
183.08133	2.1
184.08929	2.1
185.06070	2.0
185.09589	0.7
186.10394	4.1
187.07536	19.7
187.11118	3.0
197.09615	30.0
198.06728	2.0
198.10304	1.5
199.07597	1.6
199.11137	4.0
200.08261	3.4
201.09195	0.9
213.09180	1.4
214.06357	1.6
214.09958	2.1
215.10712	7.7
216.07710	3.7
222.04501	0.6
225.09116	13.6
228.07678	3.6
243.10272	100.0
243.21046	1.8
244.10609	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1014
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
53.03886	0.5
55.01818	0.6
56.68142	0.4
56.96504	0.7
58.69942	0.4
66.10017	0.5
67.01807	0.7
67.05431	0.9
68.99731	0.5
69.03338	2.5
69.06977	0.5
69.07363	0.5
71.42311	0.9
79.05413	0.6
81.06963	1.3
85.80843	0.5
91.05389	3.5
93.06964	0.5
95.08502	0.6
105.06955	0.9
115.05405	0.5
116.06203	0.9
117.06943	0.5
119.04881	0.6
127.18118	0.5
128.06221	4.8
129.07002	8.0
131.08585	4.5
141.06998	8.2
142.07689	1.1
143.08464	1.4
145.06392	0.6
152.06236	2.4
153.05943	0.6
153.06996	6.6
154.07771	19.1
155.08574	2.5
156.09285	1.9
157.06480	8.4
157.10133	0.9
158.07123	0.7
159.07039	0.5
159.08064	5.5
159.11578	0.8
165.07001	2.7
166.07681	1.9
167.08614	3.4
169.06422	1.6
169.10123	20.1
171.07996	1.5
173.05960	0.9
173.09561	0.5
175.07457	1.5
178.07751	2.4
179.08539	9.2
181.06473	7.0
182.07271	24.7
183.08008	3.3
184.08731	0.8
185.05948	5.9
187.07536	7.5
195.08096	0.8
196.08798	0.9
197.09618	37.1
198.10034	1.0
199.07520	1.0
199.11116	0.6
201.09128	3.1
203.07036	15.3
207.08095	0.9
210.06761	1.5
215.10823	0.6
225.09096	100.0
226.09457	2.3
243.10178	42.0
243.21121	1.4
244.10446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	3.7
55.05503	3.1
55.93527	2.4
56.96558	14.3
57.19587	1.7
61.02919	9.1
65.03940	8.3
67.05503	8.2
69.03430	8.5
69.07066	3.7
70.34763	7.6
72.08152	4.1
73.94271	2.0
74.88379	2.0
76.70280	1.7
77.03935	2.0
79.05488	7.5
81.03410	3.7
81.07054	11.4
83.04960	1.9
84.04510	3.9
84.08143	4.3
85.02911	7.7
85.06548	4.4
86.09700	9.9
91.05479	27.0
93.03403	2.5
93.07044	5.7
94.04215	2.2
95.04966	18.4
95.05991	2.2
97.02896	5.6
97.06527	2.4
98.97563	13.8
102.09184	6.0
103.05425	2.5
105.03376	3.4
105.07047	12.7
107.04944	10.0
109.06513	16.1
110.03690	4.1
111.04476	4.2
116.98602	16.9
119.04948	6.1
119.08569	7.5
121.06519	2.2
121.10139	2.6
123.04427	13.6
123.11686	2.1
124.05254	2.5
125.02348	6.3
125.06045	2.1
125.96316	2.0
128.06227	2.8
129.07019	2.8
131.08560	7.1
133.02875	9.5
134.99701	13.2
135.04399	3.0
137.05981	20.5
140.04683	100.0
141.06985	4.3
145.10133	3.0
146.99673	3.0
147.04388	9.5
147.11674	9.6
151.03899	2.5
151.07613	2.5
152.04694	3.4
153.00774	3.1
153.05536	2.8
153.06929	2.2
154.07805	8.9
155.05740	3.9
155.07025	81.0
155.08284	3.1
156.09334	2.4
158.99667	4.2
159.07979	9.2
161.13248	2.1
162.14003	1.9
163.03908	4.3
165.05460	20.5
167.07033	3.8
169.10126	6.3
171.06532	4.7
173.08075	8.3
177.00717	12.9
177.62718	2.2
179.06995	11.9
180.04146	19.1
181.03371	4.0
181.04962	65.7
181.06255	2.3
182.05794	2.8
182.07285	8.8
183.06514	4.9
187.07513	15.2
193.04929	23.9
193.13824	3.0
195.06496	9.5
197.08028	8.0
197.09645	17.8
201.00722	2.3
207.06538	23.1
215.10666	2.1
219.01790	2.1
224.70869	1.9
225.07240	11.1
225.09236	7.4
231.05135	14.1
231.55400	5.2
243.06177	4.1
243.10452	18.9
254.01001	3.5
257.71329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.2
66.25070	0.1
69.03442	0.1
71.59314	0.1
71.59695	0.1
71.95280	0.2
82.99879	0.2
98.97562	1.9
100.05144	0.1
101.00867	1.1
103.75941	0.1
116.98615	2.9
116.99443	0.2
118.03506	0.1
118.98273	0.2
119.01911	13.2
120.02016	0.3
122.97834	0.1
129.06979	0.1
131.08575	0.3
134.04753	0.1
134.99661	4.8
135.04248	0.1
136.04591	0.1
137.02946	7.2
138.03017	0.3
140.98845	0.3
141.06923	0.2
142.03516	0.3
153.00801	1.6
153.07028	0.1
154.07779	0.3
154.65282	0.1
158.01187	0.1
158.99814	0.9
159.08058	0.3
160.04532	0.2
165.82660	0.1
165.99745	0.2
169.10051	0.2
174.98630	0.1
175.02989	0.4
176.02425	0.2
177.00938	27.1
178.01048	1.6
179.00935	0.3
182.07341	0.2
182.99730	0.5
183.06215	0.1
184.04465	0.2
187.07550	0.4
190.95369	0.1
193.04070	0.6
195.01949	0.9
197.09622	0.4
199.03093	0.2
200.02539	0.5
201.00858	1.2
201.05321	0.1
201.07198	0.2
202.05643	0.1
214.95508	0.3
217.04073	3.3
218.03589	0.8
219.01985	30.3
220.02101	3.5
221.01724	0.9
225.00827	2.2
225.08952	0.3
226.01118	0.1
232.96556	0.3
237.98975	0.2
242.03584	0.6
243.01906	6.4
243.10197	0.9
244.01910	0.1
260.04666	0.4
261.03030	100.0
262.03134	3.4
263.03403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	51.1
57.07070	26.3
58.73146	1.9
61.45848	2.2
63.58842	1.8
67.05492	4.3
69.07065	77.3
69.80521	12.5
70.07365	2.1
71.08626	15.8
74.06474	1.7
81.07030	2.9
83.08138	3.6
83.08610	52.0
85.10163	7.7
93.03712	5.0
93.07022	2.7
93.38297	1.6
94.19815	1.8
97.10165	44.0
103.86439	2.1
109.92179	2.1
111.11723	18.3
121.10181	2.1
125.13258	3.5
129.06993	2.7
142.07768	7.7
143.08434	1.8
157.06480	1.7
157.10094	2.1
158.45351	1.8
185.09615	5.2
213.09059	9.9
241.08574	100.0
241.19527	2.8
242.08981	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	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63869	1.2
54.68980	1.1
55.01866	3.0
55.05498	2.2
56.96563	17.4
57.03436	6.1
58.06599	14.4
59.06917	3.4
61.02923	17.8
61.20742	1.1
69.03419	3.6
70.06576	5.0
70.45997	4.6
70.98137	2.5
71.01367	1.9
71.04967	2.8
72.08124	1.2
72.93778	1.6
73.02903	4.6
79.11449	1.2
81.03410	3.4
83.04989	1.4
83.06084	1.8
84.04482	1.8
84.08143	10.8
85.02908	9.3
85.08459	2.9
86.09678	2.4
87.04462	2.9
88.99157	1.9
89.02377	1.4
92.01332	1.8
95.06041	1.4
95.23500	1.3
97.02897	5.6
98.97579	8.8
99.04487	2.0
101.02367	3.0
106.01035	1.6
110.06023	1.3
110.07152	5.4
113.96415	1.9
115.03939	5.8
116.98625	6.2
117.01886	2.5
118.51391	1.2
119.01845	3.0
123.00248	1.5
124.07571	1.2
124.95482	1.2
127.01514	2.5
127.03922	2.6
128.10703	1.7
128.98584	2.5
129.01851	3.1
129.10229	4.6
129.11075	1.5
131.00220	3.0
131.97469	1.8
132.00749	2.5
133.01654	1.8
133.03415	2.7
134.99675	2.6
141.01273	3.4
142.96526	2.5
143.03413	1.7
146.99631	4.9
147.11404	1.4
148.02032	3.0
148.03864	8.1
149.01279	1.8
150.01797	3.8
155.05576	2.4
156.07735	2.3
157.01308	4.1
157.02583	9.0
157.04462	2.5
158.99677	2.2
159.05025	1.6
160.97588	2.1
161.04404	2.5
161.05611	2.2
163.04300	1.3
165.00713	4.9
166.03192	2.2
170.06029	4.8
177.04108	2.1
178.04895	2.7
188.89078	1.3
189.03972	14.9
190.98616	2.9
191.01939	2.0
193.00206	1.7
196.01147	1.6
196.09627	1.8
197.10013	4.8
205.00163	3.1
219.01686	1.8
237.02863	2.6
242.09029	4.2
242.15794	100.0
263.00754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96566	0.3
58.06599	19.2
60.71738	0.2
61.98779	0.2
70.06588	3.8
70.65695	0.8
71.04985	0.2
72.08167	0.4
79.64240	0.2
81.03406	0.7
83.04969	0.3
84.04474	0.3
84.08141	10.6
85.06530	0.4
93.03749	0.3
98.06006	0.4
98.09697	1.8
99.04444	0.3
100.11266	0.5
114.05549	0.3
116.07075	0.5
116.10676	0.2
116.98666	0.2
126.09119	0.2
128.10725	3.6
144.10205	1.3
152.10736	0.4
168.10190	0.8
174.96735	0.2
196.09673	5.8
197.21170	0.3
213.15959	0.3
241.08923	1.6
241.15462	100.0
242.15875	1.4
256.17059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
55.05513	7.4
56.96537	1.3
57.03419	1.3
57.07080	5.2
59.32031	1.2
60.97303	0.9
67.05501	9.0
69.03423	1.2
69.07072	6.3
69.38716	4.8
69.39140	3.9
71.04974	2.2
71.08629	63.3
75.02684	1.1
79.05486	23.7
81.07042	13.9
83.01346	1.8
83.04958	4.0
83.08607	3.1
85.06525	2.0
85.10185	17.4
87.04449	1.0
88.13748	1.0
91.05476	7.2
93.03702	3.5
93.07036	17.5
95.04974	7.1
95.08601	10.7
97.06565	5.6
97.08912	1.1
97.10205	2.0
98.21442	2.0
98.97575	1.4
99.08089	68.5
105.07005	6.3
107.04945	1.5
107.08584	18.5
109.06532	7.1
109.10139	4.8
111.08128	1.6
113.09644	24.7
117.07020	2.6
117.09153	1.7
119.08562	4.2
121.06496	3.4
121.10133	10.4
125.09629	2.2
127.11230	1.3
128.06238	2.2
129.06996	4.3
131.08565	6.6
133.10117	2.9
135.08031	12.2
135.11662	2.3
137.09647	1.6
139.07550	1.5
139.11191	5.1
141.06984	3.3
142.07779	14.3
143.08530	3.0
145.10126	4.4
147.11693	2.6
149.09615	9.4
152.06247	2.3
153.07007	2.7
153.09077	4.4
154.07802	1.3
157.06525	1.2
157.10144	5.1
159.11664	1.5
161.13235	2.0
163.14787	5.6
167.10646	2.1
170.07259	2.0
171.11607	2.1
177.16362	5.5
183.11647	1.3
185.09569	4.7
185.13249	1.9
187.14841	10.4
195.08069	1.7
198.06764	1.5
205.15875	30.5
213.09126	9.2
223.16927	35.4
241.08588	100.0
241.19749	5.6
241.21663	1.3
242.08926	4.8
252.20596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
58.06599	22.4
60.08149	1.0
62.38296	0.3
63.69322	0.4
70.03906	1.3
70.04311	0.6
70.06585	4.5
77.11785	0.3
79.79547	0.3
81.03402	0.7
81.41502	0.4
84.04514	0.4
84.08141	11.7
98.06075	0.4
98.09685	1.5
98.20813	0.5
98.97552	0.5
100.11294	0.6
102.59473	0.3
104.10744	17.8
114.05489	0.7
116.07063	0.7
126.05511	0.6
128.10727	4.7
136.04567	0.4
144.10193	1.3
153.62790	0.4
158.07979	0.4
159.06046	0.4
161.07811	0.4
168.10217	1.5
174.93085	0.4
187.05624	0.8
196.04460	0.3
196.09697	6.7
205.06740	0.8
213.15984	0.5
241.15463	100.0
242.15779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04593	0.1
55.01865	0.4
55.05501	0.5
56.96564	1.8
57.03421	0.8
57.07050	0.2
58.06598	15.0
58.43811	0.1
59.06910	0.2
61.02929	1.3
67.05482	0.3
69.03415	0.6
69.07052	0.2
69.92752	0.9
70.06587	2.5
70.98116	0.2
71.04988	0.4
72.08139	0.4
72.72301	0.2
73.02911	0.4
81.03408	0.8
81.07041	0.2
84.04457	0.2
84.08141	8.3
84.96040	0.2
85.02891	1.2
85.06538	1.1
85.46439	0.2
89.00771	0.2
93.03722	0.4
96.08157	0.2
97.02871	0.8
98.06049	0.2
98.09695	1.1
98.20659	0.2
98.97569	0.8
100.11253	0.5
101.21574	0.2
114.05510	0.4
116.07053	0.5
116.98619	0.7
119.01878	0.6
126.05495	0.3
126.09155	0.3
127.03914	0.2
128.10701	3.4
128.98590	0.2
131.01886	0.6
131.97485	0.2
132.00723	0.3
133.03419	0.4
134.06021	0.4
134.99658	0.3
135.01233	0.2
141.01295	0.2
141.50000	0.2
142.07800	0.3
144.10165	1.1
145.04947	0.2
146.99619	0.3
147.03113	0.2
148.01979	0.3
148.03859	0.8
149.01254	0.3
149.02982	0.2
150.01787	0.4
152.07095	0.8
157.02591	0.5
157.04445	0.5
158.30177	0.2
160.97667	0.2
161.01027	0.2
161.02971	0.2
161.05582	0.2
163.04436	0.3
164.06978	0.2
165.00711	0.3
166.03076	0.2
168.10191	0.8
173.02956	0.2
175.04456	0.3
177.04111	0.5
178.04956	0.3
185.09531	0.2
187.97787	0.2
189.03961	0.2
190.01196	0.3
196.09673	5.1
207.01573	0.2
213.15958	0.5
220.99681	0.2
223.01224	0.2
241.08882	2.9
241.15456	100.0
242.15764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09853	0.7
51.69463	0.8
53.03946	1.4
55.01873	2.4
55.05509	6.5
56.73244	0.8
56.75376	0.8
56.96563	1.3
57.03427	1.9
57.07059	1.0
62.66485	0.8
67.05499	9.3
69.03400	0.9
69.07052	3.8
70.92374	1.2
70.92704	0.9
71.04979	2.4
74.20939	0.9
77.65813	0.8
78.72662	0.9
79.05489	11.8
81.03403	1.5
81.07053	8.1
83.01324	2.5
83.04988	1.6
83.08621	4.3
91.05467	3.6
93.03715	2.7
93.07044	17.4
95.04959	2.9
95.08604	21.2
97.02889	1.2
97.06505	1.9
98.97556	2.1
99.04445	2.2
105.07011	4.0
107.04939	5.4
107.08592	13.5
109.06503	1.5
109.10154	1.7
114.74054	0.8
115.05427	1.3
116.98620	3.1
117.07018	5.2
119.08588	3.8
121.06520	2.3
121.10139	5.4
125.06016	1.7
127.07510	1.0
128.06239	2.9
129.06987	5.4
131.08557	0.9
133.10153	1.5
134.99644	3.8
135.08083	1.3
135.11694	22.5
139.07469	1.2
141.06984	3.6
142.07773	13.0
143.08553	3.0
145.06459	1.0
145.10115	15.1
152.06230	1.6
153.07004	2.6
154.07741	1.6
155.08479	0.9
157.06456	1.7
157.10124	5.1
163.11179	34.1
165.06990	1.1
167.08472	1.3
170.07234	2.2
171.11644	1.1
173.09558	0.9
181.12225	8.6
183.08047	0.9
185.09555	5.7
185.13257	1.8
196.78011	0.9
199.14685	1.1
206.78137	0.9
209.11699	1.4
213.09059	9.0
227.12770	53.0
241.08586	100.0
241.19560	4.2
242.08858	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	241.0857
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01863	0.7
55.05497	1.2
56.96552	1.3
65.75786	0.4
67.05487	1.6
69.07050	1.5
70.25587	1.7
71.04976	0.6
75.02671	0.6
78.35976	0.4
79.05495	0.8
81.07036	2.0
83.01337	0.8
83.08611	0.6
85.06541	0.7
91.05473	1.7
93.03725	2.2
93.07034	1.5
95.08593	2.8
97.06530	0.6
105.07016	1.2
107.08548	0.9
109.10156	1.0
115.05449	1.0
117.07007	0.4
119.08527	0.8
121.10141	1.4
123.11694	0.7
128.06232	2.5
129.07027	3.8
131.08586	0.6
133.10106	1.4
135.11674	1.1
141.06989	2.6
142.07774	15.9
143.08510	1.8
145.06477	0.6
147.11635	0.8
149.13341	1.0
152.06181	3.3
153.06973	2.7
154.07768	1.3
155.08604	1.3
156.09242	0.6
157.06503	0.8
157.10132	5.9
159.11674	1.1
165.07014	2.1
166.07787	0.6
167.08549	1.8
169.06387	0.5
170.07259	1.9
171.07866	0.4
171.11664	1.3
173.13353	0.5
185.09628	4.5
185.13268	1.2
195.08046	0.9
198.06718	1.2
199.14882	0.9
205.19482	0.7
211.07480	0.8
213.09096	69.5
214.09450	1.2
241.08589	100.0
241.19540	3.2
241.21623	0.7
242.08978	1.8
257.08069	4.4
259.12210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52042	0.1
55.05513	1.2
56.96548	0.2
57.07074	16.1
58.06594	3.0
67.05504	2.5
68.58186	0.1
69.07074	0.9
71.08630	9.1
71.58940	0.2
71.59336	0.1
79.05489	0.2
81.07053	2.9
83.01357	0.2
83.08614	2.6
85.06510	0.3
85.10180	5.4
91.05466	0.2
93.07044	0.1
95.08602	7.3
97.10168	1.0
98.97595	0.2
99.11726	0.3
109.10156	4.7
111.04460	0.1
112.07643	0.1
116.98650	0.1
123.11705	1.0
129.07016	0.3
134.99667	0.2
141.06963	0.4
142.07819	0.9
145.10179	0.1
152.06184	0.1
153.06976	0.2
157.10104	0.4
165.16396	0.5
169.10127	0.2
170.10454	0.3
172.12088	0.2
183.11765	0.2
183.17441	5.4
184.12009	0.3
185.09587	0.4
192.91116	0.2
198.13640	0.4
210.92247	0.2
213.09126	0.6
222.05255	0.1
233.88626	0.1
234.92160	0.2
240.23204	100.0
241.08582	7.8
241.19701	0.2
241.23584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
52.25453	1.2
53.19295	1.2
55.05258	2.0
55.05510	27.6
56.96542	2.0
57.07076	100.0
65.03917	1.5
67.05504	58.6
69.06715	2.3
69.07066	29.9
71.04990	2.8
71.08633	61.4
79.05492	4.1
81.06579	3.3
81.07057	64.8
83.08140	2.1
83.08618	29.4
85.06544	5.0
85.07537	1.7
85.10184	30.9
89.06011	2.8
91.05482	2.5
93.07034	5.3
95.08607	85.8
97.10178	14.9
99.04447	13.4
99.08093	2.3
105.07036	2.7
107.08581	1.7
109.09432	2.6
109.10156	27.7
111.11732	3.1
121.10171	2.1
123.11710	9.3
129.82538	1.2
130.48526	1.3
137.12253	1.3
137.13251	5.5
147.11633	1.6
155.08548	1.6
165.62413	1.4
173.18135	1.2
182.05913	1.3
183.11729	2.1
197.13264	2.9
210.92229	2.0
239.08745	6.6
239.14235	3.1
239.17979	5.1
239.20122	4.0
239.23775	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0867
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
56.96561	4.1
69.03429	22.0
69.07063	1.2
70.06583	1.2
71.04979	1.1
71.60106	1.0
79.05521	1.1
80.04993	1.9
81.07045	0.9
84.08125	1.8
85.02892	2.0
87.04469	46.2
91.05463	1.0
93.07044	1.4
97.02876	1.4
98.97556	2.3
108.04491	5.3
109.10194	0.8
110.07102	0.9
111.03185	4.0
113.43665	1.0
116.98623	2.4
126.05515	23.5
127.03869	1.3
128.98593	0.9
133.06580	0.9
134.01244	1.5
134.06021	3.9
134.99623	3.7
135.06796	4.4
138.05487	2.2
142.03387	1.0
142.07755	1.1
146.05972	1.2
150.09134	1.2
151.03900	2.2
151.06400	1.1
152.07103	6.1
154.04994	36.7
162.05499	3.5
166.08606	4.3
173.04929	1.0
174.00800	1.5
176.07059	1.4
179.03578	1.2
179.07076	1.2
190.05087	1.1
194.08122	16.0
203.80850	0.9
206.23344	1.0
210.92145	1.8
212.09195	4.1
222.07610	25.2
223.07701	1.2
240.08681	100.0
241.08684	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03956	4.6
53.75736	3.6
55.01864	17.0
55.05509	30.2
56.96560	12.4
57.03439	9.5
57.07073	18.8
59.04995	4.2
65.03935	3.2
67.05499	45.7
69.03429	19.1
69.07076	38.4
70.06592	5.0
70.89868	9.0
71.04990	34.4
71.08636	5.3
72.08150	3.4
79.05488	47.0
81.03395	5.0
81.07056	70.6
83.04980	15.5
83.08620	15.1
84.08125	10.4
85.02908	5.5
85.06541	63.3
86.09695	5.0
88.23878	3.0
89.06025	9.2
91.05476	36.1
93.07043	73.0
95.04980	30.0
95.06114	3.0
95.08605	62.4
97.02898	4.8
97.06521	10.7
97.10190	5.2
98.97575	4.4
99.08141	4.2
105.03403	4.8
105.07030	85.1
107.04981	6.0
107.08588	96.2
109.06516	70.4
109.10159	36.2
111.04435	4.3
111.08077	9.1
113.05988	21.2
116.98637	3.7
117.07030	9.4
119.08572	67.4
120.05659	3.6
120.08098	5.0
121.06488	19.5
121.10140	56.0
123.04401	3.6
123.08069	29.9
123.11709	11.1
125.09604	4.5
127.07507	4.0
129.07018	4.4
130.07765	5.3
131.08595	17.2
133.08595	4.7
133.10129	61.7
134.99651	7.7
135.08038	59.3
135.11664	23.4
137.05894	4.2
137.09641	21.5
137.13232	4.2
142.07837	4.7
143.08582	9.0
145.10112	22.6
146.99811	3.2
147.04369	4.1
147.08084	8.6
147.11684	15.9
149.09639	14.4
149.13222	16.1
151.07463	4.2
151.11211	12.8
154.97966	8.9
155.08545	6.3
157.10161	8.9
159.11734	5.0
161.09619	23.1
161.13258	22.8
163.03850	4.0
163.11186	18.5
163.14824	5.9
165.09155	9.7
167.10678	23.7
173.13214	15.5
174.00694	3.8
175.11240	7.9
175.14807	14.8
177.12766	5.0
178.07657	3.5
179.06947	3.8
179.10745	7.2
179.14384	4.9
181.12231	9.2
185.13242	7.0
191.14301	17.6
192.99455	3.5
195.98259	15.9
203.10762	3.9
203.14348	15.6
209.15382	17.2
211.00592	38.2
221.15396	15.0
239.00079	47.1
239.05295	7.2
239.08936	44.6
239.16429	100.0
239.20076	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	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	3.5
55.05509	15.7
56.96548	6.5
57.03405	3.1
57.07049	7.0
65.03931	3.2
66.87485	1.8
67.05181	2.5
67.05500	39.1
69.03434	14.4
69.07066	15.0
69.26686	21.0
71.04990	20.5
71.08590	3.0
74.32111	1.8
74.71450	1.7
79.05489	26.6
81.07056	56.3
83.04979	9.1
83.08625	10.2
85.02860	4.4
85.06542	9.9
89.06029	2.8
91.05466	15.2
93.07042	39.0
95.04961	21.7
95.08061	2.1
95.08606	34.0
97.06520	31.8
97.10167	4.1
98.21516	3.7
98.97549	3.2
99.04415	7.5
99.08073	3.8
99.31509	2.2
105.07027	34.7
107.04960	2.0
107.08591	84.5
109.06508	28.4
109.10148	31.5
111.04406	3.9
111.08084	12.3
113.06037	3.9
113.09660	9.6
116.98602	2.7
117.07032	3.5
119.08581	25.7
121.06467	6.1
121.10149	22.6
123.08083	9.8
123.11683	18.2
125.05980	9.3
125.09621	21.6
128.06207	2.2
129.06981	3.7
130.07764	2.5
131.08524	4.6
133.10124	20.2
134.99597	4.2
135.08025	4.1
135.11694	27.4
137.09583	5.3
139.07506	7.8
142.07663	2.7
143.06999	4.3
143.08513	6.0
145.10126	34.5
147.08034	3.9
147.11644	6.0
149.13235	2.1
151.11140	8.5
153.09073	3.9
157.10097	5.9
159.11664	8.6
161.09567	7.8
161.13246	18.2
163.11172	9.9
165.09093	4.4
169.10138	2.5
175.14777	22.3
179.10612	3.7
179.14310	10.0
183.11688	3.1
185.13257	17.5
193.15891	10.9
197.13226	3.1
203.14340	25.8
210.92113	2.7
211.15079	3.4
211.16911	23.3
215.74625	2.0
221.11662	2.1
221.15364	16.0
239.06920	3.1
239.08882	22.6
239.16354	100.0
240.16815	2.7
257.43549	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03917	4.2
55.01869	4.8
55.05508	28.1
55.73995	2.4
56.96556	8.5
57.03423	3.8
57.07061	7.1
60.95840	3.8
67.05502	68.0
69.07071	22.2
70.73696	7.4
71.04987	12.5
79.05489	41.4
80.94835	7.9
81.07054	100.0
83.04977	17.7
83.08611	30.4
83.96299	2.1
85.06530	9.9
88.69713	2.7
89.06039	2.9
91.05480	41.3
93.07052	37.0
95.04958	10.7
95.08602	85.2
97.06527	21.5
97.10153	6.1
98.97567	2.6
99.04448	21.2
99.08080	13.1
105.07021	30.1
107.08611	14.7
109.06534	5.5
109.10163	13.8
111.08069	7.7
113.09645	28.5
116.98632	2.6
117.07011	2.7
119.08578	41.3
121.06488	3.4
121.10097	8.6
123.08070	6.2
123.11698	4.2
129.06924	3.6
131.08531	3.4
133.08615	2.6
133.10115	26.7
134.99644	3.9
135.11702	8.4
137.09579	7.5
143.08527	3.9
145.10118	3.8
147.07961	4.3
149.45583	2.6
155.08554	5.8
155.99146	2.5
157.10112	3.4
161.13240	38.8
166.96379	2.7
169.10179	4.4
171.11737	3.2
175.13280	2.3
179.08612	2.5
179.14311	95.9
183.11646	7.1
189.12758	3.4
192.91103	4.7
197.13220	6.1
197.15352	9.3
210.92075	11.2
211.04836	2.4
211.14767	2.4
215.05838	3.0
221.15359	5.5
239.06993	4.1
239.08968	29.3
239.16377	19.7
239.18106	13.2
257.10498	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	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03931	7.4
55.01862	17.6
55.05507	33.9
56.93670	3.8
56.96567	25.9
57.03430	9.8
57.07084	28.7
59.05003	5.9
65.03934	4.2
66.65751	4.4
67.05503	66.8
69.03435	23.1
69.06776	4.1
69.07071	49.0
71.04985	36.1
71.08656	6.3
71.59895	5.7
71.95676	4.2
72.08128	4.5
79.05494	50.0
81.03403	7.3
81.07056	95.6
83.04967	15.5
83.08613	19.2
84.08165	4.6
85.02917	9.9
85.06543	57.8
87.04465	5.7
88.39464	4.0
89.06024	17.5
91.05495	42.8
93.07049	92.3
95.04959	44.4
95.08607	81.7
97.02845	6.3
97.06520	18.0
97.10172	4.7
98.97575	6.9
99.04434	8.3
99.08088	7.8
105.07024	83.2
107.04958	6.6
107.08596	82.6
107.34488	4.4
109.02908	6.0
109.06508	92.5
109.10146	46.3
111.08077	13.8
113.06001	26.1
115.74609	4.4
116.98641	8.9
117.07000	12.1
119.08572	76.4
121.06525	27.2
121.10137	64.8
123.04482	5.6
123.08082	35.6
123.11731	8.9
125.09634	4.8
128.06201	4.7
131.08559	18.4
133.06514	7.0
133.08600	8.1
133.10121	64.2
134.99623	7.9
135.08054	63.4
135.11674	33.6
137.09628	22.7
137.13174	6.9
139.07515	4.9
139.75952	4.2
142.07799	4.5
143.08534	8.4
145.02805	6.0
145.10097	25.1
147.08034	11.8
147.11681	16.2
149.09619	12.0
149.13274	10.0
151.11189	10.0
153.09067	9.1
157.10121	7.0
158.11005	4.6
159.11653	7.9
161.09689	21.5
161.13251	27.6
163.03862	6.3
163.11163	16.6
163.14764	8.4
165.09088	9.7
165.12790	5.2
167.10657	33.2
173.13304	11.7
174.00732	7.7
175.11140	7.8
175.13284	6.7
175.14793	16.2
177.00754	8.1
177.05530	9.8
177.12666	4.9
179.10670	5.8
181.08673	4.9
181.12254	9.9
183.08131	4.6
185.13367	6.1
191.14268	25.6
193.14099	4.6
193.15811	6.5
203.14279	16.6
208.06616	4.6
209.15363	16.2
216.04709	9.9
219.01788	5.0
221.13620	4.8
221.15369	21.5
227.09099	4.5
239.05492	8.3
239.08890	65.0
239.12735	7.7
239.16420	100.0
239.23712	3.9
240.03014	5.1
259.02884	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	239.1641
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.00315	1.6
55.01873	20.6
55.05506	23.6
56.05835	1.9
56.96568	4.8
57.03441	10.8
57.07077	11.2
65.03912	1.8
67.05502	43.0
68.05834	3.7
69.07066	22.9
70.35342	4.4
71.04991	15.2
71.08629	12.2
71.98403	1.5
73.45923	1.4
78.57117	1.6
79.05494	21.8
80.05829	1.7
81.03410	2.3
81.07057	41.0
82.07372	3.7
83.04978	16.9
83.08621	13.0
84.05307	2.0
85.02901	3.5
85.06565	8.2
85.10201	3.5
85.16764	1.4
87.04478	2.8
87.24631	1.4
89.06033	4.8
91.05480	13.2
92.25018	1.5
93.07043	15.2
95.04961	8.4
95.08609	37.5
96.08941	2.2
97.06531	69.4
97.10176	6.9
98.06054	3.2
98.97583	4.4
99.04441	2.3
99.06391	1.8
99.08097	6.8
105.07033	16.6
106.07327	1.8
107.04971	2.9
107.08605	9.8
108.08903	1.7
109.06519	7.2
109.10149	22.8
111.04464	2.4
111.08030	3.3
113.06007	38.1
113.09615	3.9
115.11221	5.4
116.98631	4.6
117.07014	4.7
119.08568	14.0
119.14549	1.4
121.06544	1.9
121.10171	6.6
123.08072	19.0
123.11720	6.6
125.05991	30.4
125.09616	3.2
127.07490	1.7
127.11199	26.5
129.07019	1.9
131.01945	1.7
131.08562	2.9
133.06496	2.1
133.10118	11.0
134.99692	5.6
135.11693	5.5
137.06024	1.6
137.09628	6.4
137.13258	2.6
143.07045	6.0
143.08546	1.6
145.10124	1.7
146.99550	1.9
147.08044	2.4
147.11694	5.7
149.13268	2.7
151.07529	5.7
151.11192	4.3
155.08589	2.1
155.10655	1.4
157.10172	2.2
159.11716	3.5
161.13255	13.7
165.06992	1.8
165.09154	4.4
169.10196	3.1
175.11122	2.9
175.14859	6.1
177.00677	2.6
179.10684	3.3
179.14290	11.7
181.06355	1.7
183.11699	3.7
185.13277	3.6
188.81834	1.6
193.15875	100.0
194.16299	1.8
194.89088	1.6
197.13451	2.7
197.15350	17.8
203.14288	3.5
210.92165	2.1
211.18839	4.5
221.15366	82.3
221.18904	3.7
239.07013	1.8
239.08955	28.4
239.16386	84.7
239.18396	84.2
239.23639	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	239.1641
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
51.22860	2.2
53.03941	6.3
55.01872	23.8
55.05512	31.0
56.96567	5.1
57.03410	4.7
57.07077	16.4
59.05005	5.3
59.51952	2.2
65.03941	3.7
67.05507	100.0
69.03427	2.8
69.07068	27.9
69.20560	2.4
71.01346	3.7
71.04995	36.4
71.08642	29.0
71.59779	4.2
73.12974	2.3
77.00883	4.0
78.00938	3.7
79.05492	40.3
81.02986	2.5
81.03422	31.3
81.07061	61.7
83.04984	14.9
83.08622	22.5
85.02899	6.7
85.06548	12.6
85.10197	3.8
87.04461	23.1
89.06044	2.9
91.05486	31.9
93.07052	30.5
95.01939	4.1
95.04974	36.1
95.08607	94.7
96.02043	4.1
97.06535	54.6
97.10161	8.5
98.97586	5.2
99.04440	8.8
99.08090	29.2
103.05461	4.2
105.07031	34.8
107.04935	11.0
107.08590	25.7
109.06537	15.8
109.10161	56.5
111.04443	4.9
111.08082	6.3
113.06001	47.0
113.09612	4.0
115.03917	11.1
116.98611	7.2
117.07017	6.4
119.08577	33.7
121.06492	3.9
121.10126	14.1
123.07182	4.3
123.08071	76.0
123.11713	12.9
125.05988	20.4
125.09602	7.2
127.11186	7.4
128.54836	2.6
129.06938	4.6
131.08551	7.4
133.06503	4.7
133.10144	19.7
134.99628	4.5
135.08012	8.3
135.11691	7.4
137.05965	3.1
137.09615	32.5
137.13269	14.9
139.07549	4.7
139.11197	6.6
141.09105	12.7
143.08542	4.2
145.10089	12.2
147.08060	9.5
147.11728	13.7
149.09576	3.5
149.13197	6.0
151.07594	14.9
151.11177	9.7
153.09184	2.9
153.12723	3.8
155.08562	3.7
155.10664	10.2
159.11710	5.2
161.09642	4.0
161.13274	13.0
163.14865	5.0
165.09085	5.8
169.10120	3.0
175.14796	13.3
177.00760	5.1
177.12747	7.0
179.14310	17.0
183.11635	3.0
185.13281	6.0
190.43666	2.5
193.15881	54.5
195.13823	41.4
197.13077	3.0
197.15291	5.6
203.14355	15.1
203.17929	7.2
216.11481	15.1
221.11876	2.8
221.15372	74.9
221.18698	13.1
230.95959	2.6
233.12529	2.7
234.12555	28.0
239.06935	4.0
239.08928	33.5
239.14137	2.6
239.16299	51.7
239.20204	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	239.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91986	0.7
56.96563	1.7
61.40560	0.7
70.31596	1.7
70.31982	1.5
81.07055	0.8
87.04469	1.8
89.06031	100.0
93.91213	0.7
95.08597	1.4
98.77882	0.7
98.97594	1.8
107.07067	3.1
116.98572	1.3
133.08600	32.6
151.09662	3.2
165.09143	0.9
168.29170	0.9
174.02361	0.8
177.11223	2.9
185.09692	0.8
195.12407	1.5
219.03099	0.7
239.08865	2.3
239.14850	3.6
246.99767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51900	0.8
51.66559	0.7
55.05509	1.2
56.96569	2.3
57.07052	1.4
59.38784	0.6
65.66714	0.7
67.05499	2.6
69.03443	1.0
69.07062	1.9
70.31635	2.2
71.04994	1.8
73.06493	0.6
76.09431	0.6
78.01494	0.6
79.05508	1.2
81.07072	3.4
83.08614	1.3
85.02911	1.0
85.06542	1.0
87.04465	1.7
89.06032	100.0
91.05476	1.3
93.07031	1.0
95.04948	0.7
95.08589	3.3
97.02883	1.0
98.97590	1.9
105.07038	1.0
107.07069	4.5
108.59473	0.7
109.06528	0.6
109.10159	1.6
116.98630	1.7
123.08111	0.7
128.74509	0.9
133.08607	34.3
134.99648	1.1
142.45235	0.7
151.09669	3.1
177.00777	1.2
177.11243	2.9
192.13069	0.8
194.90721	0.6
195.12276	2.0
220.85913	0.6
239.09015	5.2
239.14746	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	238.1802
Annotation	Piroctone
Peak:m/z	Relative Intensity
55.01864	0.9
55.05514	4.5
56.96553	0.7
57.03437	3.9
57.07066	0.5
61.43715	0.3
62.06073	0.5
65.03930	0.5
66.76939	0.3
67.05176	0.6
67.05504	7.3
69.07066	3.5
70.53918	0.9
71.04994	0.6
71.08595	0.3
79.05495	4.6
80.05000	0.5
81.03423	0.4
81.07057	9.0
82.06561	1.0
83.04986	1.3
83.08624	1.7
84.08149	0.7
85.05273	1.6
85.06540	0.7
86.06057	0.5
91.05481	2.5
93.07053	4.4
94.06551	0.4
95.04939	0.8
95.08605	2.7
96.08150	1.4
97.06545	2.0
97.10169	0.3
98.05420	0.4
98.06054	6.0
98.09660	0.4
105.07034	2.5
106.06519	0.3
107.08571	1.6
108.08111	0.5
109.10136	0.9
110.09711	0.4
112.07587	0.7
113.06020	0.7
117.07002	1.6
119.08581	0.9
120.08117	0.6
121.10133	0.9
123.08099	0.3
125.05988	0.4
126.09167	0.6
131.08568	2.2
133.10103	1.2
134.09616	0.8
134.99629	0.3
135.11708	0.4
138.12796	1.3
140.10727	0.4
143.08527	0.3
148.11182	2.1
157.10234	0.3
159.11749	1.6
174.12778	1.2
176.14366	1.5
193.15845	1.7
196.91760	0.3
210.18527	4.8
211.07680	0.3
220.16928	0.4
221.15338	1.2
238.18011	100.0
239.08975	1.0
239.16362	1.2
239.18460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	1.0
55.05511	6.6
56.96558	0.7
57.03452	0.7
57.05095	0.5
57.07069	1.9
65.03921	0.9
67.05505	38.5
68.05856	0.6
69.07065	4.3
69.63115	3.8
71.04984	1.2
79.05051	1.1
79.05494	13.6
81.07056	100.0
83.04984	2.1
83.08629	3.2
85.06535	0.9
88.61239	0.6
91.05483	2.7
93.07038	8.3
95.04967	0.9
95.08607	67.8
97.06556	1.2
97.10178	1.9
99.08059	0.7
105.07018	2.6
107.08600	6.7
109.02821	0.7
109.06504	0.6
109.10155	23.8
111.04472	1.0
111.08106	1.1
117.07027	0.7
118.06544	0.6
119.08609	2.2
121.10141	7.3
121.11539	0.5
123.08087	2.1
123.11685	5.2
125.09632	1.0
131.08554	2.5
133.10182	1.6
135.11685	5.6
137.09641	2.3
137.13254	0.9
145.10139	2.6
147.11633	0.5
149.09673	1.8
149.13304	1.0
153.09023	0.8
159.11728	1.9
163.11227	2.0
173.13231	0.8
177.16414	1.5
181.12283	1.7
191.10760	0.8
191.17964	2.1
192.06567	2.7
195.13875	0.8
201.16388	4.3
209.11818	1.1
219.17427	4.0
219.21021	0.6
228.86369	0.5
230.75961	0.5
237.03792	0.6
237.14838	1.0
237.18523	16.6
237.22214	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03928	8.3
55.01866	25.3
55.05512	31.2
55.45254	2.4
56.96569	14.5
57.03419	9.2
57.07084	12.0
59.04980	3.6
62.29804	2.5
65.03929	8.9
67.05172	3.7
67.05503	56.8
68.05831	2.3
69.03411	11.0
69.07068	33.3
69.71534	17.1
71.04640	3.3
71.04993	37.6
71.08595	3.6
77.03907	2.7
79.05063	4.9
79.05491	71.1
81.03397	8.3
81.06593	2.7
81.07055	73.7
83.04981	27.0
83.08643	13.3
85.02895	15.1
85.06520	11.1
87.04482	12.0
91.05482	56.0
93.07047	75.1
95.04448	3.0
95.04974	36.9
95.08044	3.9
95.08606	52.8
97.02885	5.3
97.06535	33.5
97.10174	7.1
98.97551	9.7
99.04430	8.1
99.08060	7.1
103.05445	7.6
105.07029	44.4
107.04957	67.2
107.08597	83.2
108.97985	2.2
109.06529	29.4
109.10143	28.4
111.04434	7.4
111.08035	11.2
113.05992	11.8
115.03939	2.2
115.05481	6.4
116.98599	11.5
117.07003	34.5
119.08576	41.5
120.08060	3.9
121.06505	30.0
121.10140	29.5
123.08070	27.3
123.11692	14.5
125.05951	7.6
125.09632	14.0
127.11201	13.0
129.07002	5.9
130.07784	3.9
131.04930	5.2
131.08556	55.9
132.27391	3.5
133.06496	9.5
133.10155	32.3
134.99638	9.7
135.08057	50.0
135.11671	17.8
137.05937	5.0
137.09590	9.9
139.03883	4.7
139.07506	8.8
139.11145	6.8
141.06984	2.7
142.07726	3.9
143.08577	2.9
145.06425	7.2
145.10112	29.6
147.07993	8.6
147.11649	11.4
149.01167	3.4
149.02350	53.9
149.03438	3.6
149.05948	3.6
149.09631	19.7
149.13219	11.7
151.07494	7.0
151.11189	20.3
153.00717	2.9
153.06972	2.7
153.09038	7.0
155.08551	6.9
155.10683	5.0
157.10123	8.7
158.07283	5.7
159.08098	13.5
159.11703	43.5
161.09567	6.3
161.13251	4.3
163.07489	9.0
163.11171	11.7
163.14784	5.3
164.06982	2.6
165.05331	2.6
173.09596	8.0
173.13239	31.8
175.11150	16.8
177.00682	6.0
177.05504	2.8
177.09093	11.1
177.12733	35.2
177.16185	5.1
179.10583	3.0
181.08519	4.2
183.11681	10.7
191.07059	11.7
191.14291	45.6
191.17947	3.1
192.06541	9.5
193.05029	32.5
193.12209	9.4
201.12755	46.3
201.16447	5.5
213.04346	4.8
216.08218	2.4
219.06421	4.3
219.10225	6.5
219.13795	100.0
219.17313	7.7
219.21138	3.8
229.86107	3.0
237.07430	48.4
237.14809	82.2
237.18484	12.8
237.22078	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03923	2.9
54.89453	1.4
55.01873	10.4
55.05510	18.1
56.96560	7.8
57.03417	2.5
57.07045	5.4
65.03920	3.3
67.05502	28.1
69.03410	4.1
69.07068	19.8
69.39050	1.4
71.04984	13.6
71.10354	3.3
71.10703	1.5
79.05489	46.8
81.03385	4.2
81.07056	100.0
83.04991	10.5
83.08601	10.0
85.02874	1.4
85.06512	4.4
85.10159	1.5
87.04480	1.7
91.04974	1.7
91.05479	22.6
93.06489	2.0
93.07041	33.9
94.07342	1.7
94.31808	1.3
95.04965	17.1
95.08047	2.1
95.08600	28.5
97.02812	2.1
97.06538	11.7
97.10165	2.2
99.04412	1.8
103.05436	3.2
105.04501	1.6
105.07033	21.3
107.04958	20.8
107.08591	26.1
109.05803	3.0
109.06521	55.9
109.10146	9.7
111.04440	2.2
111.08078	7.1
113.05964	4.6
115.05449	2.6
117.07012	17.4
119.04899	2.2
119.07948	1.4
119.08585	16.5
121.05727	1.9
121.06493	16.2
121.09430	1.4
121.10149	14.8
123.04413	2.1
123.08060	14.5
123.11662	2.1
125.05936	4.3
125.09602	5.6
127.07482	2.3
129.06947	5.0
131.08562	18.6
133.06470	2.2
133.10112	10.2
135.04388	5.0
135.08047	19.5
135.11656	5.1
137.05971	11.5
137.09581	6.3
139.07504	3.1
139.11105	1.7
141.06924	2.3
143.08519	2.3
144.09303	1.6
145.10127	14.7
145.28899	1.4
147.07990	3.1
147.11609	3.8
149.01422	1.2
149.02364	10.9
149.05952	3.4
149.09581	6.1
149.13173	6.0
151.07506	3.9
153.05464	2.3
153.09081	2.7
157.10081	5.0
159.08052	3.5
159.10669	1.5
159.11702	17.5
161.09523	3.1
161.13219	1.7
163.07474	5.3
163.11200	3.4
163.14798	3.3
165.09146	3.3
167.06992	4.2
167.14371	2.0
168.09203	1.8
169.10133	1.3
173.09592	1.9
173.13289	17.8
175.11171	3.7
177.09071	3.4
177.12706	11.0
179.10713	2.5
181.12196	1.7
183.11708	7.8
190.95229	1.7
191.10588	2.2
191.14294	22.0
192.06476	2.5
193.04951	8.8
195.10091	1.7
195.11688	3.3
201.12758	14.8
201.16351	1.3
207.11803	2.7
208.46747	1.4
209.09486	1.4
213.96890	1.4
219.13797	35.2
219.17165	1.3
219.21025	1.9
237.07510	9.1
237.12895	2.9
237.14781	57.9
237.18549	2.9
237.22017	9.3
253.77231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1234
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03950	0.3
55.01859	0.5
55.05510	1.6
56.52429	0.3
56.96563	1.3
57.03447	0.6
57.07080	1.7
66.14158	0.3
67.05515	1.6
69.07068	1.8
70.06612	0.6
70.52497	0.3
70.52837	1.1
71.04984	0.3
73.02907	0.3
79.05491	1.3
81.07059	1.9
83.04982	1.1
83.08613	0.9
84.08138	0.6
85.02911	0.3
85.06565	0.5
86.09707	0.4
88.54440	0.3
91.05480	1.2
93.07043	3.3
95.04967	0.7
95.08591	1.4
97.02880	0.6
97.06529	0.7
97.10175	0.5
98.97591	0.8
103.05476	5.3
107.08595	1.3
109.06538	0.5
109.10154	0.8
111.08083	0.4
116.98596	0.5
119.08542	0.5
120.08106	100.0
121.08453	1.1
121.10130	0.7
123.11693	0.4
125.09589	0.4
131.04993	0.5
131.08568	0.5
133.10248	0.4
134.99707	0.6
135.08051	0.4
135.11673	0.7
146.06036	0.7
148.07581	0.4
149.09634	0.4
167.14345	0.5
172.95361	0.5
174.00771	0.3
177.16505	0.3
181.95624	0.3
190.96396	0.4
192.06578	1.4
196.90213	0.3
219.21121	0.4
237.02882	0.3
237.12398	2.3
237.14900	0.9
237.22086	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.96559	0.7
57.07070	0.5
67.05504	0.7
68.30919	0.5
69.07037	0.6
71.20032	0.9
74.02448	3.3
75.03214	0.5
80.05009	0.9
81.07034	0.6
82.02932	0.5
91.05479	2.3
93.07049	0.7
94.06565	4.1
95.04982	0.7
99.00826	0.6
104.04958	1.0
104.12362	0.6
106.47977	0.5
107.04939	0.5
108.04395	0.5
110.06044	1.0
117.05762	0.8
118.06555	8.1
120.04469	2.7
120.07239	0.9
120.08107	17.0
121.10082	0.5
128.04964	4.9
130.06535	8.1
131.04900	1.0
131.07324	1.0
132.04469	2.2
133.05222	1.5
136.07581	7.4
142.06526	0.5
145.07640	1.3
146.06009	100.0
147.06412	1.6
148.03935	12.4
150.05511	2.2
157.07613	7.1
158.06032	1.4
158.96356	0.6
159.09204	1.2
164.07069	3.1
166.08658	9.3
166.36960	0.5
173.07104	2.7
174.05504	13.7
175.08707	0.7
177.28870	0.5
178.05014	1.1
184.72917	0.5
191.08171	18.4
191.11885	0.6
192.06593	4.9
202.04970	2.4
203.08165	7.0
219.07622	0.8
220.06007	3.5
223.31288	0.5
237.08745	8.2
237.12532	0.8
237.22081	1.2
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
53.71096	0.3
55.05517	1.4
56.96567	2.7
57.03424	0.4
57.07061	1.0
61.02917	0.3
67.05503	1.1
69.03415	0.5
69.07060	1.2
70.06581	0.6
71.01346	0.8
71.04986	0.3
71.08631	0.2
71.52513	0.5
72.08145	0.7
73.02880	0.3
74.02436	5.9
79.05499	0.6
81.03397	0.5
81.07048	1.3
83.04974	0.8
83.08617	0.5
84.04501	0.5
84.08161	1.7
85.02914	0.8
86.09690	0.5
91.05460	1.2
91.05975	0.3
93.07046	1.1
94.06557	0.3
95.04930	0.4
95.08603	1.0
97.02879	0.7
97.06538	0.4
97.10165	0.4
98.97558	0.7
103.03948	0.4
103.05452	0.5
105.07038	0.6
106.06524	0.3
107.04979	0.3
107.08571	0.5
109.02881	0.4
109.06515	0.4
109.10140	0.7
111.08037	0.3
116.98601	0.9
117.00395	0.4
117.07005	0.3
118.06528	1.6
120.08100	4.1
121.10130	0.8
123.04414	0.7
123.11645	0.3
125.09621	0.3
128.04955	3.8
129.10228	0.4
130.06525	1.1
131.03409	0.6
132.04436	0.9
134.99655	0.3
135.06731	0.4
145.04919	0.3
145.10132	0.4
146.06007	100.0
146.99730	0.3
147.03304	0.3
147.06403	1.3
148.03967	1.4
149.01192	0.6
149.13254	0.3
151.86511	0.3
153.12717	0.3
155.54782	0.3
156.04497	0.4
156.99805	0.3
158.06023	1.3
159.02916	1.2
165.00754	0.4
172.95226	0.8
173.07193	0.3
174.05521	0.6
175.08664	0.6
177.00667	0.5
190.96288	0.8
190.98755	0.4
191.02321	0.4
191.03809	0.3
191.08163	1.3
192.06586	0.8
192.10185	0.5
192.60258	0.3
219.07617	2.2
220.99557	0.3
232.04837	0.4
234.75311	0.3
237.02739	0.4
237.08817	3.5
237.14882	0.7
237.22086	2.2
255.04025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
57.07076	0.6
61.02552	0.5
67.12439	0.7
71.20303	1.2
74.02451	4.1
75.03236	0.9
76.43768	0.5
80.05016	1.0
86.55037	0.6
91.05488	2.3
94.06559	2.3
95.08560	0.5
99.00813	0.8
104.05001	0.8
110.06068	1.5
118.06548	7.5
118.88071	0.6
120.04466	1.9
120.08103	4.4
122.05999	0.7
128.04958	5.6
130.06525	11.9
131.04945	0.6
131.07370	0.8
132.04486	1.6
133.05243	1.3
134.06105	0.5
136.07614	5.0
145.07597	0.8
146.06015	100.0
147.06342	2.1
148.03938	15.9
150.05530	1.6
157.07607	9.0
159.09225	1.8
164.07076	2.3
166.08635	2.6
173.07112	4.4
174.05522	14.2
174.07840	0.8
178.04994	1.7
191.08173	16.4
192.06604	2.4
202.04982	2.3
203.08153	6.3
216.17184	0.6
219.07646	1.0
220.06090	4.1
237.08723	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	237.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03938	0.4
55.01870	0.5
55.05507	0.5
57.03180	0.3
57.03436	3.9
57.07075	0.3
67.05510	1.1
67.05814	0.2
69.07064	0.9
71.04989	0.5
71.59999	0.3
79.05494	1.7
81.03409	0.3
81.07061	1.8
83.04973	0.6
83.08621	0.3
85.02905	8.7
85.06530	0.2
87.04443	0.5
91.05493	1.1
91.62123	0.2
93.07040	1.2
95.04967	1.2
95.08613	1.4
96.46125	0.2
97.06511	0.8
97.10174	0.3
99.08082	0.4
105.07016	0.5
107.04955	100.0
107.08591	1.1
108.05293	0.6
109.06483	0.4
109.10147	1.2
111.04433	0.2
111.08072	0.2
113.06022	0.3
114.63322	0.2
119.04928	0.3
119.08570	0.7
121.06478	0.3
121.10151	0.7
123.04434	0.5
123.08064	0.4
123.11703	0.3
125.06009	0.5
125.09675	0.5
131.08549	0.5
133.10130	0.5
135.08022	0.3
135.11705	0.4
139.07556	0.6
139.09390	0.2
139.11084	0.2
145.10109	0.4
148.04749	0.3
149.04912	0.4
149.09712	0.2
149.13223	0.3
153.05470	0.3
159.11673	0.4
161.13232	0.2
163.07649	0.2
163.11180	0.2
163.14842	0.3
167.07103	0.4
173.13254	0.2
177.12766	0.3
181.06461	0.2
191.08530	0.2
191.14328	0.6
192.06544	0.5
194.07178	0.3
209.06042	0.2
219.13882	0.5
219.17479	0.3
219.20970	0.3
220.56320	0.2
237.05269	0.5
237.07378	2.9
237.14713	1.7
237.18613	0.4
237.22081	1.0
243.20438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.02381	0.8
53.03928	2.0
54.55661	0.9
55.01854	1.8
55.05262	1.3
55.05508	16.3
55.96386	0.7
56.96564	7.1
57.03426	3.5
57.07073	17.5
57.36483	0.7
58.29977	0.8
65.03917	2.9
67.05502	66.2
69.07063	18.3
69.80484	3.8
69.80898	1.6
71.04975	3.7
71.08639	6.2
79.05489	30.1
81.07054	100.0
82.07391	1.1
83.04979	5.7
83.08188	1.1
83.08614	10.4
85.06544	7.6
85.10185	4.3
91.04898	1.3
91.05474	31.1
93.07040	45.9
95.04968	4.4
95.08604	84.5
97.06528	10.7
97.10159	6.3
99.08089	8.0
103.05368	1.0
105.04494	0.9
105.07027	54.1
107.08591	33.0
109.06525	4.5
109.10148	36.8
111.08066	5.2
113.09599	4.3
117.06970	2.1
119.08575	36.3
121.10138	42.9
123.04400	0.9
123.08080	6.1
123.11710	19.9
125.09632	2.3
131.08568	3.0
133.10127	35.7
135.11693	27.6
137.09613	7.2
137.13237	13.4
139.11179	4.0
145.10104	2.8
147.08023	1.0
147.11674	26.4
149.09515	0.8
149.13280	11.2
151.11113	4.0
151.14751	5.4
153.09029	2.1
153.12741	3.4
159.11687	6.6
161.13251	71.8
162.13600	1.5
163.14760	4.8
165.12761	3.9
171.03310	1.7
173.13184	0.8
175.14812	10.7
177.16393	4.2
179.10641	5.1
179.14331	2.1
189.04335	5.0
189.16370	9.4
191.17906	7.1
207.05418	1.6
213.07997	2.2
217.15915	4.7
217.19504	66.5
218.19890	1.4
231.09047	5.8
235.16975	28.1
235.20546	81.3
236.20946	1.1
254.10635	1.0
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	Gajutsulactone A
Peak:m/z	Relative Intensity
51.02375	0.9
53.03947	5.3
55.01871	1.2
55.05507	3.2
56.96564	4.2
57.07073	3.5
65.03937	1.5
67.05502	21.9
69.03386	0.6
69.07066	4.3
71.04993	1.0
71.21653	0.6
71.95246	0.5
77.00879	0.5
77.03919	0.9
79.05490	31.8
81.03447	0.7
81.07060	8.5
83.04997	0.8
83.08617	1.9
83.30638	0.4
85.06543	0.8
91.05479	39.8
92.05778	0.6
93.07040	100.0
93.42566	0.5
94.07377	1.0
95.04971	12.5
95.08605	7.4
97.06542	1.1
97.10174	0.7
101.23394	0.4
105.04514	2.1
105.07018	5.3
107.08592	16.6
109.06537	1.8
109.10152	2.4
117.07011	1.6
119.08580	6.4
121.06502	0.5
121.10141	22.2
123.08102	1.0
123.11730	1.0
128.06174	0.4
129.06989	1.4
131.08585	3.4
133.10121	7.0
135.08052	2.4
135.11703	4.7
137.09595	0.9
143.08566	1.3
145.10114	1.3
147.11644	1.7
149.02348	0.7
149.09616	1.2
151.11171	0.6
153.09077	1.0
157.10168	1.2
159.11726	0.5
161.09666	0.5
161.13229	1.5
171.11708	1.9
173.13321	0.6
175.11218	0.7
175.14864	2.3
179.10698	2.4
189.04265	0.9
189.16356	1.7
191.07050	0.6
193.12202	0.6
199.14859	2.2
213.08005	1.0
215.11276	0.4
217.15883	1.8
217.19489	0.6
231.08972	2.6
235.09613	0.6
235.16919	20.9
235.20547	0.7
253.11174	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03931	1.5
55.01865	2.9
55.05506	18.7
55.19806	1.1
56.96558	2.2
57.03417	3.7
57.06814	1.7
57.07073	19.8
57.68882	1.2
65.03929	4.0
67.05500	75.4
69.03426	1.6
69.06719	1.6
69.07064	21.1
69.73423	7.5
71.04977	4.5
71.08614	5.4
79.05489	30.8
80.49966	1.1
81.07052	100.0
83.04960	5.2
83.08608	7.5
85.06538	8.2
85.10152	2.8
91.05476	31.1
91.24368	1.2
93.06462	2.3
93.07037	42.8
95.04964	4.9
95.08602	91.3
97.06513	10.4
97.10152	4.9
99.08076	7.5
105.07021	32.6
107.08591	29.0
109.06483	4.5
109.10150	43.7
111.08055	6.7
111.11642	1.2
112.49321	1.1
113.09618	3.9
117.07021	1.1
119.07789	2.3
119.08579	34.7
121.10137	31.3
123.08075	6.1
123.11708	15.1
125.09633	2.6
131.08514	2.3
133.10127	30.9
135.11679	25.3
136.71210	1.1
137.09584	4.9
137.13239	11.3
139.11191	1.3
145.10089	1.9
147.11676	29.4
148.77814	1.0
149.13248	10.2
151.11166	3.2
151.14870	6.1
153.12727	1.5
161.13254	18.9
162.41258	1.1
163.14775	5.5
165.12717	3.0
173.13232	1.6
175.14812	10.8
177.16342	4.3
179.10675	6.0
179.14156	1.7
181.96852	1.2
189.00728	1.5
189.16386	3.7
191.17931	7.1
195.87849	1.0
206.71964	1.2
217.19507	62.4
235.17014	16.9
235.20544	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.02388	0.5
53.03932	2.4
55.01870	3.9
55.05508	3.7
56.96553	1.9
57.03436	0.5
57.07070	3.3
65.03931	1.6
67.05162	0.7
67.05496	6.8
69.03428	3.8
69.07063	3.0
71.01356	0.7
71.04992	2.6
71.59612	0.8
77.03908	1.0
79.05486	23.4
81.03409	1.9
81.07050	39.1
83.04984	4.7
84.68217	0.4
85.02892	0.6
85.06547	2.2
91.04893	0.7
91.05470	22.2
93.07035	41.4
95.04964	12.4
95.08593	8.2
97.02871	0.6
97.06519	10.2
98.97557	0.6
99.04456	4.4
101.05982	0.8
103.05466	2.0
105.04494	1.5
105.06298	0.9
105.07023	23.6
107.04943	9.1
107.08586	10.5
109.06511	25.6
109.10122	2.1
111.04425	1.4
111.08082	1.6
112.54339	0.5
113.06013	0.7
115.05440	4.2
117.06997	6.0
119.04922	1.5
119.08569	14.3
120.08940	0.5
121.06495	100.0
121.10097	2.1
122.06776	1.1
123.04389	3.5
123.08079	3.3
123.11637	0.7
125.06004	2.6
127.07549	9.8
128.06227	3.2
129.05479	0.9
129.06987	6.4
130.07777	0.5
131.08554	4.9
133.05568	0.7
133.06482	6.0
133.10126	6.5
134.99657	0.7
135.04396	5.3
135.08044	6.7
135.11655	1.1
137.05962	5.5
137.09630	0.5
139.07536	5.9
141.06961	1.9
142.07756	5.5
143.04971	0.4
143.06927	0.5
143.07419	0.7
143.08549	10.1
145.06483	6.6
145.10092	5.0
146.07259	0.7
147.08037	5.3
147.11681	14.0
149.02353	0.5
149.05872	0.6
149.09619	1.0
149.13225	1.1
151.07523	1.0
155.06036	0.5
155.08553	1.9
156.05693	1.1
156.09335	4.0
157.06451	1.3
157.10117	15.2
158.07301	0.8
159.08049	1.6
159.11668	1.6
160.08827	1.2
161.06012	2.6
161.09607	2.7
161.13235	4.5
163.07585	0.9
163.11223	0.8
165.06990	2.2
165.12752	1.6
166.07756	3.6
170.07239	0.6
171.08018	1.1
171.11685	14.8
173.05988	4.4
173.09602	2.0
173.13258	1.2
175.07581	1.5
175.11177	23.9
176.11613	0.8
177.12692	0.6
179.07024	0.6
179.10707	2.7
181.10112	4.4
184.08823	2.7
189.04257	0.6
189.09088	0.8
189.12726	21.6
190.06194	2.4
190.13086	0.5
191.10672	0.8
193.12219	1.2
199.11163	24.7
202.06226	0.5
203.07011	1.0
205.08496	1.4
207.05441	0.7
207.13702	0.6
217.08638	2.7
217.12219	37.0
217.15785	1.6
217.19537	0.6
218.12608	0.6
235.09824	2.5
235.13272	24.7
235.16850	10.1
235.18971	0.8
235.20612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
53.03934	1.9
55.01868	1.8
55.05513	7.6
57.07068	8.2
59.04994	2.3
59.62627	1.1
67.05499	7.6
69.03417	4.3
69.07063	11.2
69.32584	2.2
69.32977	11.4
71.04980	4.1
74.69676	1.1
79.05490	9.5
81.07056	9.8
82.62404	1.2
83.04962	2.6
83.08598	4.6
85.06527	3.7
91.05477	16.4
93.07034	14.8
95.04961	6.5
95.08609	18.1
97.06542	7.8
105.07027	29.2
107.04959	2.0
107.08592	30.0
109.06502	8.7
109.10145	10.5
111.08068	4.6
113.05975	1.2
117.06982	5.2
119.04953	1.0
119.08578	87.3
121.06486	3.7
121.10140	12.6
123.08045	3.1
123.11700	5.0
125.09636	2.3
128.06204	4.2
129.06984	3.4
131.08563	14.4
133.06502	2.6
133.10126	41.2
135.08055	18.1
135.11684	5.7
137.09613	6.4
142.07779	5.4
143.08560	10.2
144.09338	2.6
145.10120	13.9
146.07291	2.8
147.08009	7.3
147.11687	17.6
147.47784	1.3
149.02382	1.9
149.09593	3.4
149.13231	2.0
151.11163	8.6
156.09352	3.4
157.10135	11.8
158.10866	5.0
159.11685	13.3
160.08829	2.6
160.12285	1.1
161.09622	31.7
161.13243	4.7
169.10188	3.0
169.20953	1.3
171.11716	8.0
173.13278	18.5
175.11215	15.2
175.14813	18.2
176.11835	1.3
176.40294	1.1
177.12726	5.4
179.10631	11.0
184.12512	3.4
187.11238	3.7
187.14731	5.3
189.12776	1.5
189.16385	19.1
191.07123	2.7
191.14320	2.3
193.15930	3.6
199.14844	12.6
202.13416	2.0
217.15872	100.0
218.16269	2.0
235.16922	74.4
236.17439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01868	6.9
55.05297	1.1
55.05513	11.7
56.96563	12.8
57.03419	1.5
57.06815	1.7
57.07073	16.9
59.05001	1.8
61.79480	1.0
65.03924	3.4
67.05499	18.5
69.03426	7.4
69.07064	8.6
70.94827	2.0
70.95151	1.7
71.04994	7.0
73.02902	2.5
73.38959	1.1
77.03867	1.6
79.05065	2.2
79.05490	33.3
81.03416	7.3
81.07055	54.8
82.90778	1.1
83.04961	8.2
83.08611	4.7
85.02901	2.7
85.06527	3.4
87.04464	2.1
88.03971	2.0
91.05481	43.5
93.07042	52.8
93.28011	1.0
94.81435	1.1
95.04968	22.5
95.08599	20.0
97.02881	2.5
97.06516	13.9
98.02411	4.1
98.97561	8.2
99.04440	4.2
103.05479	9.3
105.04553	1.8
105.07030	38.8
107.04272	2.1
107.04952	23.7
107.08594	22.1
109.02878	1.3
109.06512	30.3
109.10136	6.9
110.01307	1.7
111.04433	2.1
111.08071	2.9
113.05995	2.6
113.92696	1.1
115.05434	4.3
116.98611	9.6
117.07024	7.3
119.01869	3.0
119.04936	2.4
119.07326	2.0
119.08575	23.2
120.08098	46.8
121.06500	100.0
121.10138	7.9
123.03640	1.2
123.04440	5.8
123.08072	8.9
123.11702	3.7
125.05993	5.6
125.09621	1.8
127.07558	10.2
128.06229	5.4
128.98650	1.8
129.07004	12.8
130.06519	31.5
130.07536	1.4
131.04959	2.3
131.08563	11.7
133.06499	7.0
133.10109	10.8
133.78325	1.2
134.99654	8.6
135.04416	5.5
135.08057	12.5
135.11694	3.7
137.06012	7.8
137.09599	2.1
139.07504	6.1
142.07790	7.0
143.01866	1.9
143.08549	12.4
144.08063	10.1
145.06470	4.0
145.10117	13.4
146.99559	2.4
147.04472	1.4
147.08067	8.2
147.11676	21.4
149.05995	1.6
149.09589	4.6
149.13197	2.8
151.07532	2.2
151.11208	1.7
153.00745	1.2
155.08548	2.7
156.09344	4.9
157.06505	2.7
157.10127	17.1
158.01164	1.1
158.07289	1.9
158.99632	3.0
159.08086	1.9
159.11687	3.6
161.01173	1.5
161.02942	2.0
161.06007	3.7
161.09630	5.0
161.13287	8.2
162.01781	1.4
163.07521	3.1
163.11176	1.6
164.53517	1.1
165.06979	2.8
165.12747	1.7
166.07794	2.8
171.08041	2.4
171.11682	21.6
172.07556	6.0
173.09610	5.0
173.13284	3.6
174.06824	1.4
175.07504	3.4
175.08899	9.6
175.11192	29.9
175.14822	2.6
177.00702	4.9
179.07037	1.3
179.10683	10.9
181.10089	4.5
184.08774	2.2
189.00702	3.3
189.09198	2.1
189.12737	30.8
189.16403	1.6
190.08589	6.6
191.10645	1.5
193.12257	3.4
199.09454	2.2
199.11198	28.4
199.14873	2.1
207.13757	2.5
213.09662	1.5
217.12228	49.4
217.15875	4.7
218.08119	2.0
219.01744	2.4
223.58989	1.4
235.05771	1.5
235.09512	2.3
235.10970	3.6
235.13272	57.6
235.16927	48.3
235.20615	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	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
50.01603	0.6
51.02385	0.7
53.03949	3.2
55.01866	3.7
55.05502	4.2
56.96559	2.1
57.07079	4.1
65.03936	1.8
67.05502	9.1
68.05122	0.5
69.03423	5.9
69.07069	3.2
69.56676	3.9
71.04987	2.2
76.25367	0.5
77.03929	0.7
79.05489	24.0
81.03398	1.5
81.07053	39.8
83.04982	5.3
85.02907	0.6
85.06536	2.3
88.97005	0.6
91.05476	23.7
92.05819	0.7
93.07037	43.0
95.04964	13.8
95.08603	10.2
97.06525	10.6
98.20737	1.1
98.97581	2.8
99.04437	3.8
101.05974	0.8
102.34134	0.6
103.05476	1.9
105.04524	1.1
105.07024	25.8
107.04939	8.0
107.08582	11.2
109.06510	29.6
109.10141	0.7
111.04436	1.4
111.08075	1.9
113.05984	0.6
115.05418	0.8
115.14131	0.6
116.10727	0.9
116.98651	1.5
117.07000	4.5
119.04906	1.6
119.07922	0.5
119.08577	15.9
121.06497	100.0
121.10110	1.5
123.04432	3.6
123.08040	3.0
123.11674	0.7
125.05988	2.5
127.07552	10.4
128.06206	3.7
128.98584	0.9
129.05484	1.4
129.07002	6.3
130.07828	0.6
131.08572	4.9
133.06505	6.0
133.10132	6.9
134.99638	1.0
135.04401	5.2
135.08037	7.3
135.11705	0.8
137.05965	6.9
137.09650	1.0
137.13293	1.1
139.07510	6.5
141.05428	0.8
141.06978	1.7
141.11475	0.6
142.07808	4.9
142.27463	0.5
143.07010	0.8
143.07384	0.8
143.08568	10.3
145.06480	2.1
145.10117	6.3
146.99606	1.0
147.08031	5.3
147.11679	16.3
149.09581	0.7
149.13251	1.2
152.39310	0.6
153.07005	0.9
155.08551	1.8
156.09335	4.8
157.06459	1.3
157.10130	15.2
158.07338	0.9
159.08057	2.3
159.11713	1.4
160.08818	1.3
161.05946	1.7
161.09616	2.1
161.13226	4.5
163.11250	0.9
165.07048	1.8
165.12799	1.4
166.07837	3.4
169.06305	0.9
171.08102	1.2
171.11688	14.2
173.09654	1.7
173.13235	1.2
174.10368	0.7
175.07593	1.2
175.11176	25.1
177.00644	0.7
177.12881	0.9
179.10690	2.9
181.10127	5.4
184.08861	2.2
189.09044	0.7
189.12741	19.7
191.07120	0.7
193.12251	1.8
199.11166	23.3
207.13774	0.8
214.08620	0.7
217.12231	36.2
218.12573	0.9
218.81564	0.6
223.09143	1.4
235.13286	30.2
235.16835	9.9
236.13696	0.7
237.02879	1.0
256.10483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.06
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.01873	1.5
55.05499	1.4
56.05022	1.1
56.96556	2.7
57.07074	19.4
60.76185	0.9
61.14254	1.0
67.05482	3.4
69.03420	1.8
69.07054	2.1
69.46048	7.5
70.06555	1.0
72.08160	1.2
72.89022	1.0
73.89224	0.8
74.06086	1.5
79.05493	2.0
81.03351	1.0
81.07049	3.8
83.06043	0.9
83.08614	0.9
84.04481	1.0
85.02901	1.8
90.05533	1.1
91.05477	5.3
93.07039	2.4
95.04991	1.8
95.08610	3.0
95.59574	1.1
97.06491	1.6
98.97588	1.8
101.81302	1.1
103.03915	1.1
103.05463	1.1
105.07036	6.8
107.05016	0.9
107.08607	1.5
107.17947	1.1
109.10143	2.5
115.05450	33.2
116.98559	1.1
117.07034	1.3
118.06528	1.5
119.04984	1.5
119.08636	2.4
120.08095	2.9
121.06533	1.2
121.10090	2.1
123.04421	2.2
131.04910	1.5
133.06480	3.9
133.10100	1.6
134.05946	1.2
134.99673	1.5
143.04921	53.4
143.08553	1.4
145.06471	2.8
147.04401	27.1
147.11687	1.4
154.19980	1.1
160.05223	1.1
161.05980	75.0
162.06293	1.2
163.03915	1.1
165.05452	3.1
171.04410	16.3
175.03897	9.9
179.10728	10.4
189.05463	100.0
190.05833	1.0
193.04939	1.7
193.12349	1.1
199.03889	3.1
201.16722	1.0
207.06517	4.0
217.05009	8.1
235.05949	21.4
235.13164	2.4
235.16930	37.0
235.20654	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	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
55.05492	10.9
57.07065	5.6
67.05512	22.9
69.03403	3.7
69.07073	17.6
71.60702	5.1
79.05478	14.1
81.07069	27.7
83.04972	5.9
83.08607	6.3
91.05481	14.6
93.07056	34.1
95.04950	5.2
95.08612	33.4
97.06549	3.2
97.10166	3.9
105.07023	32.8
107.08601	39.8
109.06530	4.2
109.10146	20.8
111.08082	7.5
117.07014	5.9
119.08582	40.4
121.10149	33.1
123.08071	3.9
123.11710	9.9
125.09578	4.7
131.08566	18.9
133.10127	36.4
135.11658	15.5
137.09641	3.6
139.11134	3.0
144.09377	3.9
145.10144	21.6
147.11674	13.9
149.09569	3.7
149.13263	17.6
151.11134	4.5
159.11710	31.8
161.13228	16.8
163.11169	6.6
163.14900	5.0
165.12766	3.8
171.11673	3.0
173.13264	24.2
175.11244	2.9
175.13316	3.1
175.14847	58.7
177.12758	9.4
178.06198	3.7
186.96919	3.8
187.14737	5.0
189.16470	14.8
191.14307	7.4
191.17940	5.8
193.86171	4.1
205.15903	10.9
215.14510	4.8
215.17947	46.1
233.11673	5.5
233.15335	12.1
233.18993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.39730	1.9
53.03938	2.4
55.05500	14.4
56.96560	12.9
57.07064	5.6
59.87864	1.4
64.72261	1.8
65.03923	2.0
67.05501	18.6
69.03426	4.0
69.07065	18.0
71.04969	5.0
71.08590	1.7
71.60027	3.3
74.40626	1.5
79.05487	13.4
81.07050	30.2
83.04951	4.7
83.08611	6.7
85.06522	2.9
91.05464	19.1
93.07033	24.7
95.04967	6.1
95.08603	34.7
97.06522	3.9
97.10162	3.1
98.97575	13.5
103.05438	2.4
105.07030	45.4
107.04933	3.6
107.08598	40.7
109.06508	5.6
109.10159	25.3
111.08071	5.6
116.98622	15.0
117.07007	9.8
119.08574	48.9
121.06480	5.9
121.10138	34.5
123.08076	4.8
123.11710	6.5
125.09618	7.7
129.07011	3.5
130.07693	2.2
131.00113	2.0
131.08559	23.7
133.10124	37.8
134.99663	17.4
135.08067	4.4
135.11711	15.6
137.09636	5.1
139.11147	4.1
143.08540	2.9
144.09320	3.8
145.10109	28.3
147.08014	2.2
147.11713	17.9
149.01279	3.0
149.05988	1.8
149.09599	4.0
149.13225	15.1
151.11148	1.6
157.10057	2.0
158.10875	2.1
159.08078	2.4
159.11693	37.7
161.09650	2.2
161.13268	16.7
163.03883	2.9
163.07591	2.9
163.11172	7.7
163.14774	3.2
165.12752	4.9
167.02235	3.4
171.11653	3.5
173.13271	29.1
175.14822	52.8
177.04045	2.5
177.05464	30.8
177.09085	1.8
177.12709	10.9
178.06236	27.6
185.10065	4.3
187.11185	5.0
187.14790	8.6
189.16341	18.6
190.98763	2.4
191.07048	10.4
191.14249	5.8
191.17909	6.3
194.10628	2.8
203.17998	3.1
205.12271	3.7
205.15846	10.7
205.19472	2.4
213.11426	3.5
215.10733	3.6
215.17940	52.6
222.11963	5.4
233.11670	23.9
233.15544	11.4
233.19000	100.0
233.62608	2.0
234.11942	2.4
234.19444	2.8
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	CHEBI:69963
Peak:m/z	Relative Intensity
53.03931	1.8
53.24370	0.9
55.01855	4.1
55.05507	5.8
56.96546	3.0
57.03427	1.5
57.07074	6.0
59.04998	2.6
61.04037	0.9
65.03922	2.8
67.05178	1.0
67.05505	15.2
67.58794	1.0
67.60413	1.0
69.03421	11.4
69.07068	6.3
69.36586	1.0
70.58952	3.7
71.04997	4.9
79.05494	15.0
81.03382	2.3
81.07052	16.6
83.04975	11.1
83.08628	1.3
83.44812	1.3
85.06541	9.1
86.09684	2.1
91.05473	29.5
93.07048	25.8
95.04973	14.2
95.08605	12.2
97.02879	3.4
97.06529	6.9
98.97578	3.3
99.04420	1.1
99.08061	1.4
103.05473	1.9
105.04464	1.3
105.07031	31.6
107.04956	19.1
107.08592	27.9
109.06522	6.6
109.10143	8.5
111.08080	6.8
113.06027	6.6
113.07222	1.1
115.05442	3.9
116.06201	2.2
116.98618	3.3
117.07026	11.0
119.08572	21.1
120.08109	2.1
121.06520	9.4
121.10143	31.7
122.07303	5.3
123.08112	6.2
123.11674	1.0
125.09617	3.4
127.03919	1.1
127.07555	4.9
128.06215	1.9
129.06995	4.3
130.07761	4.3
131.08565	36.9
133.02791	1.4
133.06487	3.2
133.10127	18.8
134.99660	1.9
135.08058	9.0
135.11690	5.1
137.05968	4.8
137.09621	35.3
139.07581	2.8
141.06949	1.6
142.07779	1.6
143.08572	6.1
144.05710	1.9
144.09360	2.2
145.06473	4.6
145.10124	56.5
146.10886	5.3
147.08031	6.0
147.11670	8.4
149.09613	50.8
149.13190	2.4
150.09883	1.3
151.07587	1.3
151.11192	5.3
153.09117	8.3
155.08548	2.4
156.09337	2.2
157.10101	4.7
158.10884	3.7
158.99608	2.1
159.08057	9.1
159.11681	8.8
160.08875	1.0
161.05942	2.3
161.09648	1.5
161.13237	3.5
163.07526	2.0
163.11166	4.5
163.14827	1.7
167.97177	1.4
168.99675	1.2
169.10080	1.2
171.11720	3.5
172.12448	1.5
173.06076	1.1
173.09679	5.7
173.13278	18.0
174.06775	2.8
175.11208	7.6
177.00720	2.1
177.09113	8.1
177.16240	1.1
178.09924	1.2
182.11005	1.0
185.09688	1.3
187.07527	3.6
187.11198	2.2
187.14832	14.5
189.04959	1.2
189.12723	4.6
191.07068	1.2
191.10698	2.4
191.14340	5.2
197.13193	2.1
203.07030	5.0
205.08624	1.4
205.12160	2.9
205.15875	4.8
210.05492	1.2
213.07744	2.0
215.07030	3.3
215.10696	2.1
215.14287	12.1
215.17825	5.4
222.08305	4.6
233.08153	9.2
233.12030	5.5
233.15358	100.0
233.18697	7.6
233.59102	1.6
234.15620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03935	3.8
55.01852	2.2
55.05513	13.6
56.96558	12.5
57.07059	6.7
60.35080	2.1
65.03917	3.4
67.05499	25.2
69.03418	7.0
69.07084	11.5
69.42022	21.8
79.05493	31.2
81.03400	5.4
81.07049	52.0
83.04967	3.9
83.08601	3.0
85.06526	5.1
87.59830	2.0
90.70204	1.9
91.05476	54.4
93.07039	44.9
95.04949	15.1
95.08606	62.0
97.06519	4.3
98.97633	2.5
103.05450	4.1
105.07027	69.0
107.04935	14.0
107.08598	34.4
109.06477	5.9
109.10136	15.0
111.04436	2.3
111.08103	3.5
115.05434	4.1
116.14572	2.1
116.98645	5.7
117.07009	24.6
119.04955	5.8
119.08580	40.1
121.06502	9.3
121.10125	26.3
123.08038	6.1
128.06224	3.4
129.06995	10.6
130.07790	4.6
131.00072	2.5
131.08569	55.8
131.97391	2.9
133.02829	2.2
133.06479	7.0
133.10124	29.5
134.99652	4.3
135.08035	9.7
135.11687	4.6
137.05986	8.5
139.07535	2.9
141.06947	6.6
142.07762	3.1
143.08563	11.9
144.09291	2.2
145.06436	4.4
145.09032	4.1
145.10120	58.5
146.99661	5.1
147.08029	5.3
147.11696	20.6
149.01309	2.3
149.05989	3.1
149.07458	4.2
149.09604	7.0
149.13213	2.9
150.97273	2.3
151.07516	11.7
151.28250	1.9
153.09027	4.0
155.08510	12.2
156.09204	2.9
156.10315	3.3
157.10118	9.6
158.07162	3.4
159.08060	15.9
159.11690	41.0
160.05267	2.5
161.05963	2.4
161.09607	2.3
161.13275	32.2
163.07501	5.5
163.11247	3.8
165.09175	2.6
167.08481	2.6
169.10162	10.2
171.11710	6.4
173.09634	11.0
173.13234	12.4
175.11134	5.3
177.00690	2.4
177.09100	17.7
182.10895	4.7
187.07474	2.4
187.11259	11.3
187.14830	83.6
190.98636	2.9
191.03410	18.2
191.10655	5.4
191.14308	9.3
197.13272	17.4
205.12285	3.0
205.15874	5.3
208.99721	3.1
213.07848	3.0
215.07086	3.3
215.10861	2.9
215.14311	48.5
215.17834	3.3
216.14503	2.5
233.08049	10.8
233.11697	6.7
233.15353	100.0
233.19048	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	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03930	2.0
55.01857	1.3
55.05510	2.9
56.96294	1.0
56.96563	17.0
57.03421	1.4
57.07055	1.9
59.04977	0.8
61.02905	1.3
61.28280	0.7
65.03920	1.0
66.72506	0.7
67.05228	0.6
67.05506	7.3
69.03423	6.8
69.07064	3.8
69.23728	0.7
70.92537	1.1
71.04986	2.0
71.95263	0.7
73.02898	0.9
76.74787	0.6
79.05487	8.5
81.03398	2.2
81.07053	10.8
83.04970	2.0
83.08606	2.0
84.96017	1.9
85.02899	5.7
85.06521	2.4
86.03204	0.6
87.04465	0.9
91.05478	15.3
92.83929	0.6
93.07042	11.7
95.04956	6.8
95.08051	0.7
95.08606	9.7
97.02888	6.2
97.06507	1.8
98.97575	15.5
99.04458	0.8
102.93896	0.6
103.05452	1.3
105.07020	21.1
107.04932	2.8
107.08594	12.8
108.08892	0.7
109.02854	0.6
109.06519	5.0
109.10132	2.6
109.94185	0.6
110.97563	1.1
111.08047	1.4
115.05435	1.8
115.47822	0.6
116.06216	0.9
116.98621	18.0
117.07017	7.9
119.01805	0.8
119.08572	18.2
120.08118	0.9
121.06494	10.5
121.10139	6.6
123.08053	1.5
123.11699	1.5
127.03918	1.8
128.02303	1.9
128.06197	1.7
128.98605	3.2
129.06981	3.6
130.07759	2.1
131.00143	1.6
131.08559	18.7
133.06482	1.8
133.09201	1.1
133.10127	9.9
134.10820	1.0
134.99648	14.4
135.08032	3.2
135.11673	2.5
137.09621	1.8
141.06940	1.9
142.04524	0.6
142.07753	1.2
143.00165	0.6
143.08546	4.9
144.09328	1.3
145.06448	2.7
145.10106	25.4
146.10504	1.2
146.99643	5.7
147.08002	2.5
147.11687	12.5
149.01230	2.5
149.04593	0.7
149.09615	8.3
149.13161	1.3
149.96034	0.8
153.00690	1.6
153.07071	0.7
154.07710	0.7
155.08519	3.4
156.09320	1.9
157.06976	0.7
157.10118	6.2
158.07317	1.1
158.10872	1.5
158.99652	4.6
159.04445	0.8
159.08041	11.2
159.11679	10.0
160.08640	0.6
161.01212	2.6
161.09604	2.2
161.13245	3.9
163.07484	1.0
163.11192	1.5
163.14742	0.8
165.00714	1.3
165.12573	0.7
167.08516	1.9
167.97163	1.4
169.10181	3.4
170.05838	0.8
170.99649	0.7
171.11696	3.4
172.08746	0.8
172.12428	1.4
173.01210	1.3
173.09602	6.6
173.13242	10.3
175.11214	4.3
175.14848	4.9
177.00719	8.7
177.09105	3.9
177.16385	1.2
178.01155	0.6
182.10867	5.6
185.09608	1.3
185.13246	1.1
186.10323	0.8
187.11186	4.5
187.14810	10.0
189.00639	1.1
189.09106	0.8
189.12772	3.6
190.98753	0.9
191.03581	3.2
191.10600	1.4
191.14301	3.2
195.01750	0.9
197.13263	10.6
198.13533	0.8
200.02515	0.7
200.11949	1.6
201.00696	1.2
202.25417	0.6
203.14276	2.5
205.08482	0.8
215.06979	0.9
215.10880	1.5
215.14304	27.8
215.17815	1.7
219.01784	3.6
219.07471	0.8
219.13716	1.5
233.08081	3.6
233.11609	3.4
233.15346	100.0
233.19075	3.9
234.15587	1.8
237.02800	5.6
245.08862	0.8
247.10005	0.6
251.13206	0.9
251.56078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03932	1.4
55.05500	5.9
56.83588	1.0
56.92685	1.1
56.96547	4.1
57.07059	2.6
59.34570	1.0
64.44016	1.0
67.05499	16.2
69.03407	1.9
69.07074	8.3
69.26348	1.4
69.26676	13.1
72.76189	1.2
73.02934	1.3
79.05488	14.2
81.07055	33.8
83.08606	2.7
90.94814	1.4
91.05479	17.1
93.07036	23.9
95.04966	4.4
95.08046	2.0
95.08604	31.0
97.06551	1.3
97.10162	2.0
98.21507	2.4
103.05464	1.9
105.07028	32.1
107.04960	3.2
107.08597	14.3
109.06516	2.8
109.10167	9.9
111.08002	1.3
111.43283	1.1
116.06210	1.1
117.06993	9.9
119.04964	1.2
119.07732	0.8
119.08575	23.1
119.87623	1.1
121.06498	4.5
121.10127	9.6
123.08025	2.0
123.11726	2.7
125.05998	2.2
129.07033	1.7
130.07759	3.0
131.08569	36.7
133.06491	2.2
133.10106	12.5
135.08044	1.7
135.11714	5.7
137.05968	2.2
139.07549	3.5
143.08600	5.3
145.06483	2.3
145.10118	34.7
147.08066	1.5
147.11673	9.2
149.05992	2.0
149.09593	3.3
149.13268	2.7
151.07526	3.5
155.08571	3.8
156.09288	2.1
157.10143	3.3
158.10887	1.9
159.08104	5.1
159.11688	20.3
161.13286	11.9
162.02686	1.1
163.07523	3.4
167.08646	1.3
169.10196	1.9
171.11687	2.7
172.12474	1.4
173.09590	4.6
173.13242	2.5
175.11176	1.8
177.05479	2.6
177.09131	9.3
178.06276	3.0
182.10872	2.6
186.95230	1.3
187.11195	4.7
187.14818	100.0
188.15146	2.0
189.12666	1.5
189.16322	1.5
191.10645	2.2
191.14265	2.9
197.13254	7.6
202.99809	1.2
205.15878	3.4
206.05724	1.1
215.14313	24.5
217.15724	2.2
219.50491	1.1
233.07880	1.4
233.11597	3.4
233.15359	60.1
233.18930	17.5
233.22496	8.2
248.17841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01867	2.2
55.05510	8.1
56.96548	4.0
58.64493	1.1
65.03934	1.6
67.05173	1.5
67.05508	24.1
69.03432	1.5
69.07066	13.6
69.86568	5.0
69.86980	2.9
71.04973	3.9
73.06535	1.8
76.39138	1.4
79.05493	36.4
81.07054	19.6
83.04972	2.6
83.08592	1.7
85.02950	1.2
85.06523	1.8
87.58891	1.1
91.05482	88.5
93.07035	20.6
95.04971	9.4
95.08614	11.2
97.06532	1.4
98.21432	1.8
101.06059	1.5
103.05465	9.9
105.07029	93.8
107.04971	10.2
107.08613	9.6
109.06483	3.3
109.10149	4.0
115.05428	2.0
116.98640	2.0
117.07018	21.8
119.08581	61.6
121.06531	7.2
121.10120	5.7
128.06247	1.6
129.06976	8.3
131.08571	45.3
133.06488	4.3
133.10132	17.5
135.08037	5.5
137.05943	4.1
141.06973	3.8
143.08548	5.2
145.06467	2.7
145.10135	15.1
147.08047	3.2
147.11615	2.2
149.09619	3.0
155.08553	5.1
157.10109	2.7
159.08057	2.9
159.11691	16.2
167.41203	1.3
167.97115	1.1
169.10103	5.8
171.11664	8.2
173.09743	1.4
173.13277	13.1
175.11172	3.1
177.05502	1.9
177.09079	2.2
178.06224	1.6
179.73981	1.1
187.11203	3.6
187.14845	8.6
188.24821	1.3
191.10664	2.3
197.13283	9.9
205.15926	1.6
215.14314	12.5
233.11707	2.5
233.15358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03939	6.8
55.01854	3.6
55.05508	11.7
56.96552	7.2
57.03426	5.1
57.07077	3.9
64.35046	1.4
65.03950	3.1
66.46812	1.6
67.05179	2.6
67.05502	29.1
69.03429	2.4
69.07066	15.2
71.04984	2.2
71.46157	3.8
79.05489	27.3
81.03413	18.0
81.07054	72.2
83.04972	1.9
83.08619	3.9
85.02919	1.8
91.05476	40.5
92.31289	1.7
93.07045	32.4
95.04942	6.2
95.08598	47.3
97.06513	7.8
97.10194	1.9
102.41956	1.6
103.05420	3.3
105.07025	52.6
107.04931	7.0
107.08582	27.2
109.02874	29.3
109.06494	5.7
109.10130	17.8
111.08072	4.4
111.11715	2.9
113.50941	1.5
115.05433	4.0
116.06246	2.3
117.07011	16.2
118.68262	1.7
119.04914	4.0
119.08573	35.9
121.06477	6.9
121.10136	18.2
121.10928	2.5
123.04426	15.8
123.08035	5.5
123.11692	39.4
125.06015	2.1
128.06192	2.9
128.71461	1.6
129.06969	4.0
131.08563	38.2
133.06477	6.9
133.10127	23.9
135.04440	1.8
135.08040	6.7
135.11681	5.3
136.00964	1.9
137.05977	27.0
137.50362	1.7
139.07503	2.4
141.06981	2.7
143.08546	6.5
144.09312	2.6
145.01541	2.5
145.06482	5.3
145.10114	39.7
147.08089	2.7
147.11687	37.2
148.12358	2.5
149.05959	2.8
149.09605	5.7
149.13181	1.6
150.00700	3.1
150.96828	2.7
151.07541	15.1
153.09140	1.9
155.08571	6.1
157.10092	6.3
159.01254	5.1
159.04341	1.6
159.08044	9.8
159.11691	27.8
161.05969	3.0
161.13240	23.0
163.07562	8.3
165.09081	3.1
169.01497	3.7
169.10100	8.8
170.05273	1.8
171.11716	5.0
173.05983	2.1
173.09590	5.9
173.13249	3.6
175.11111	3.2
177.05528	3.0
177.09084	18.2
177.12592	2.5
177.16197	1.7
182.10855	2.4
182.64957	1.5
187.07611	2.3
187.11279	8.3
187.14818	74.8
189.08980	2.7
189.16333	2.8
190.03923	2.6
190.98689	2.4
191.03406	4.6
191.07095	3.2
191.10637	5.5
191.14305	4.3
197.13242	12.5
205.15866	8.7
208.04904	3.8
208.99770	2.3
215.07059	3.8
215.10760	3.6
215.14297	38.6
215.17900	2.8
219.55530	1.9
233.08041	5.3
233.11589	4.0
233.15352	100.0
233.18927	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03930	3.6
55.01855	2.6
55.05504	8.3
56.96330	1.4
56.96566	18.9
57.03412	2.7
57.07059	5.4
59.04998	3.1
65.03941	2.1
65.28111	1.3
67.05508	19.4
69.03421	16.4
69.03765	2.1
69.07078	6.7
70.06577	4.5
71.01363	2.1
71.04984	4.8
71.08615	1.9
71.30035	1.8
71.30363	2.4
74.06063	1.2
79.05052	2.7
79.05491	37.0
81.03414	2.9
81.07059	28.6
83.04972	4.2
83.08629	7.8
85.06527	4.8
88.07616	4.7
89.07970	2.1
91.05479	33.5
93.07041	32.1
95.04969	28.4
95.08610	27.1
97.06520	5.8
97.10127	1.6
97.99152	1.8
103.05448	2.9
105.04465	1.5
105.07029	46.6
106.08649	3.2
107.04963	26.9
107.08583	34.2
109.02859	2.0
109.06525	10.7
109.10149	22.2
111.04414	2.4
111.08070	3.7
113.05978	3.0
115.05466	4.7
116.00247	1.8
116.06230	2.5
117.07012	21.0
119.04954	1.5
119.08581	97.4
121.06521	8.0
121.10154	24.6
123.02087	1.6
123.08085	4.0
123.11678	4.1
124.59657	1.3
125.09647	2.4
125.39284	1.4
128.06223	3.2
129.07002	10.1
130.07779	4.1
131.04973	1.6
131.08571	32.2
133.06473	6.4
133.10129	29.3
135.08055	6.9
135.11676	3.9
137.05983	3.8
137.09613	7.4
141.06979	2.4
142.07811	2.5
143.08598	7.9
144.09308	2.4
145.06444	6.9
145.10129	49.5
146.10652	1.4
147.08047	23.8
147.11673	16.5
149.09612	16.0
149.13222	5.0
149.96078	1.9
150.96935	2.0
151.07512	2.3
151.11192	3.3
155.08571	4.5
156.09360	4.3
157.10162	10.8
158.10902	5.1
159.08080	8.4
159.11691	35.6
161.09621	3.2
161.13228	12.7
163.07529	2.9
163.11148	6.7
163.14847	2.6
167.08531	3.3
167.97189	2.3
169.10170	5.0
171.11708	8.2
172.05228	3.3
173.05869	2.9
173.09633	6.6
173.13280	20.9
175.11212	14.0
175.14818	7.1
177.05591	1.6
177.09085	5.1
182.10907	5.5
187.05170	6.8
187.11176	4.3
187.14818	37.0
189.12691	10.3
189.16373	1.7
191.03412	2.4
191.07089	1.4
191.10706	3.1
191.14296	32.3
196.05655	13.5
196.55972	2.0
197.13187	9.5
198.55956	4.2
201.05460	2.2
205.06268	15.0
205.08255	2.2
205.12068	1.6
205.15865	2.4
205.56442	2.5
207.56540	5.2
213.04210	1.6
215.06972	3.7
215.10745	2.3
215.14322	24.2
215.17902	18.8
215.22089	1.9
216.57068	5.0
217.07005	1.6
218.07362	2.1
233.06018	2.4
233.07730	7.5
233.10042	2.2
233.11696	3.0
233.15369	100.0
233.18968	22.4
233.23039	40.4
234.06667	2.3
235.11171	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.20393	0.9
53.03922	2.5
53.63044	0.9
55.01855	1.9
55.05500	4.1
56.96568	7.0
57.07055	3.7
66.78373	0.9
67.05486	4.8
69.03420	5.6
69.07056	2.4
69.27942	7.0
69.28352	3.7
71.04981	1.6
72.15401	0.9
79.05492	47.9
81.03441	1.4
81.04902	1.0
81.07063	6.3
83.04944	2.1
83.08624	5.5
85.06519	2.4
90.94836	1.6
91.05476	10.2
93.07034	7.1
95.04975	7.1
95.08584	4.9
97.06526	2.2
105.06384	1.3
105.07018	13.6
107.04955	47.8
107.08599	11.7
109.06542	2.3
109.10133	2.5
111.08065	4.1
117.07001	3.8
119.08580	17.6
121.06510	2.8
121.10116	7.7
123.08022	1.9
125.05939	0.9
125.09596	2.5
129.06990	2.9
130.07771	1.1
131.08568	13.5
133.10127	6.9
134.99663	1.4
135.08047	2.2
137.05901	1.2
137.09634	4.9
143.08502	1.9
145.06525	1.7
145.10130	13.1
147.08049	10.1
147.11670	13.3
147.73892	1.1
149.01222	1.7
149.09583	7.8
149.13257	2.8
150.96921	1.9
156.09334	1.5
157.10118	6.3
158.10843	2.3
159.08035	2.3
159.11671	2.8
160.08821	1.9
161.09651	1.4
161.13202	1.3
163.11168	3.9
163.14815	1.5
169.10223	1.7
171.11646	3.2
173.09584	3.3
173.13289	8.8
175.11192	15.6
177.09131	1.1
182.10831	1.4
186.96785	1.3
187.11189	1.5
187.14813	4.6
189.12773	4.2
190.98875	1.7
191.03381	1.3
191.14302	56.0
197.13287	2.5
207.48828	1.1
208.99773	1.3
215.10715	1.5
215.14290	7.3
233.08070	2.5
233.11690	3.7
233.15358	100.0
233.19095	5.0
236.11610	1.1
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	Hypacrone
Peak:m/z	Relative Intensity
51.02375	0.4
51.54573	0.3
53.03940	2.2
55.05511	3.5
56.96569	2.2
57.07084	0.9
58.03723	0.4
67.05502	1.5
69.03426	5.1
69.07061	1.6
70.23718	0.8
70.24110	0.8
71.04976	0.7
72.93312	0.4
77.03934	0.5
79.05490	49.9
80.06273	0.7
81.03414	0.8
81.07057	3.3
83.04976	1.2
83.08616	5.1
91.05482	3.3
93.07034	4.2
95.04957	5.4
95.08598	2.0
97.06505	1.4
103.05449	0.6
105.04514	0.8
105.07032	7.7
107.04952	50.9
107.08599	8.3
108.05288	0.4
109.06519	1.3
109.10117	0.7
111.04443	0.6
111.08081	4.9
115.05434	0.7
116.06301	0.3
117.07008	1.4
119.08586	5.2
121.06484	1.6
121.10137	5.1
123.08039	1.4
123.11681	0.5
125.09618	2.8
129.07013	0.7
130.07780	0.5
131.08572	5.4
133.06487	0.5
133.10124	6.2
134.99612	0.8
135.08070	1.7
135.11642	0.5
137.05984	0.4
137.09602	0.5
139.07484	0.5
142.07771	0.8
143.08551	0.9
145.06462	0.6
145.10107	4.0
147.11684	9.0
149.05875	0.4
149.09613	7.0
149.13275	3.0
150.10393	0.6
153.09126	0.6
156.09357	0.5
157.10110	3.2
158.10863	1.4
159.08008	1.0
159.11685	1.6
160.08862	1.6
161.05962	0.5
163.07512	0.5
163.11127	0.5
163.14751	0.5
167.97197	0.5
169.10106	0.5
173.09590	0.8
173.13297	4.3
175.11186	8.8
177.09070	0.5
182.10873	0.8
187.11201	0.7
187.14774	2.2
189.09077	0.4
189.12816	0.5
190.98813	0.6
191.03415	1.3
191.14302	62.3
192.14676	1.2
197.13277	1.0
215.10609	0.5
215.14299	2.4
233.11624	3.8
233.15353	100.0
234.15649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05034	19.0
56.96558	1.9
57.03439	2.9
58.06595	4.4
59.75458	0.5
69.07056	2.7
70.27107	2.0
74.06076	100.0
75.04484	1.5
76.42079	0.5
84.04501	3.4
85.02895	1.0
86.09703	32.7
90.94849	0.6
94.52912	0.5
101.07146	3.8
109.43971	0.5
116.98679	0.6
132.10196	23.6
142.12315	1.8
143.11778	1.3
150.96893	0.7
169.13370	2.5
187.14413	19.0
190.98708	0.6
215.13902	4.2
233.08173	0.8
233.11655	0.7
233.14998	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	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05501	0.5
56.05032	16.8
56.96564	8.2
57.03434	3.5
58.06596	5.1
61.02917	1.9
66.97868	0.4
67.05486	0.5
67.70750	0.5
69.03432	0.4
69.07053	3.0
71.35107	0.7
72.08157	2.1
73.02930	0.5
74.06076	100.0
74.89266	0.4
75.04467	1.0
75.06405	0.5
83.79679	0.4
84.04487	3.0
84.08146	1.4
84.96041	0.9
85.02905	1.5
86.09700	40.9
95.04973	0.4
97.02902	0.4
97.62407	0.4
98.97591	1.3
100.99147	0.9
101.00878	0.5
101.07141	5.0
105.10574	0.4
116.98629	1.2
118.01007	0.5
118.08650	0.6
119.00165	1.4
119.01907	3.6
124.11251	0.6
126.12820	0.4
128.98611	1.1
131.08675	0.4
132.10199	22.8
133.03500	1.9
133.24883	0.5
134.99684	1.2
137.02899	1.1
142.12286	2.5
143.01912	0.8
143.11810	0.8
144.98140	0.5
146.99660	2.1
147.07942	0.4
151.04581	1.1
161.01326	0.5
161.02954	2.8
162.99174	1.2
163.02748	0.7
165.00729	1.3
169.13367	1.7
172.09717	0.5
173.02937	0.9
183.01805	0.8
187.14410	19.7
189.00780	0.6
190.98657	1.4
191.03983	0.8
207.01807	0.9
208.99669	3.7
215.13898	4.8
227.00793	0.7
233.06235	5.3
233.08336	0.8
233.14957	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	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91270	1.4
55.05516	8.4
55.92895	1.4
56.05038	19.7
56.96566	22.9
57.03419	3.6
58.06587	3.4
61.02910	2.3
68.00732	1.6
69.03426	1.9
69.07052	3.2
70.06586	3.8
71.04962	1.6
71.06912	2.6
71.29721	3.8
72.08159	76.6
73.02917	2.6
74.06084	100.0
84.04492	5.6
84.08141	2.6
85.02891	5.6
86.09212	2.4
86.09707	36.4
92.20162	1.6
97.02893	2.5
98.97594	2.6
101.00878	2.3
101.07137	2.8
119.00159	4.9
119.01950	11.8
128.02295	4.3
128.98611	3.8
132.10210	20.5
133.03429	3.4
134.04520	1.8
137.02913	4.1
142.12320	1.7
143.01886	6.7
146.99634	4.8
161.02985	12.0
162.99126	4.5
165.00717	4.6
183.01689	3.2
187.14435	12.7
189.00711	1.8
190.98651	5.7
196.66214	1.8
208.99750	9.7
215.10942	2.3
215.13889	3.5
233.06328	89.5
233.11772	4.8
233.14983	8.4
238.07909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04013	0.8
55.01912	0.9
55.05276	2.0
55.05574	17.6
56.04848	0.6
56.05088	1.5
56.96624	2.4
57.03486	1.6
57.07127	1.3
57.72530	0.6
67.05573	13.3
69.03499	3.7
69.06721	1.6
69.07139	18.6
70.03828	1.7
70.06664	2.2
70.76310	1.3
70.76683	1.2
71.05062	3.6
71.52692	0.6
72.08235	0.7
73.02979	0.8
73.06609	0.8
73.67004	0.6
76.50114	0.7
79.05569	7.4
81.03468	1.1
81.06606	1.9
81.07051	32.5
82.07445	0.6
83.04613	0.6
83.05058	2.0
83.08610	14.8
84.04519	0.6
84.08221	2.9
85.02979	2.4
85.06542	5.1
86.03273	0.9
86.09756	1.2
87.04523	1.0
91.05477	7.8
93.07044	8.9
95.05037	2.0
95.08049	1.6
95.08601	43.4
96.08171	1.4
97.02948	1.0
97.06507	5.3
97.10168	4.2
98.09740	0.9
98.97659	2.5
99.08173	2.6
101.06075	1.0
105.07019	8.7
107.04944	0.7
107.08570	5.1
109.06599	2.8
109.10152	5.1
111.08103	1.6
115.05495	0.8
115.07606	1.5
115.44886	0.6
116.98710	2.2
117.07089	1.7
119.08572	13.9
119.90736	0.6
120.08146	0.8
121.06596	0.7
121.10146	4.1
122.06113	1.1
123.08059	4.8
124.07642	0.7
126.09194	0.7
127.03967	1.0
127.07583	1.2
129.07030	1.2
131.08653	2.7
133.10139	8.9
134.99704	1.2
135.11694	5.3
136.11282	0.8
137.09616	4.2
137.13257	6.8
141.07092	0.7
141.09140	0.7
143.08646	1.2
145.06573	1.7
145.09030	0.7
145.10184	2.0
146.99686	0.9
147.11736	0.7
149.13280	1.5
154.08783	0.6
157.10175	0.7
159.08112	1.8
159.11646	1.2
160.11281	0.9
161.01283	0.8
161.06012	0.9
161.13239	20.5
169.10161	0.9
173.09628	1.2
173.12001	0.9
173.13358	1.5
174.12770	0.6
178.15932	1.4
179.14313	9.9
187.11256	0.9
187.14906	0.8
188.14380	2.9
190.15929	1.5
196.16957	15.9
197.15303	4.7
205.08638	1.0
209.03893	0.7
214.18007	100.0
215.06979	1.0
215.18318	2.5
232.11862	1.4
232.16936	5.5
232.19046	34.7
233.08049	1.7
233.11674	1.6
233.15390	1.2
237.02631	0.9
237.25246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1543
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
50.66519	0.3
53.03939	0.4
55.93514	0.5
56.64762	0.3
56.96566	4.3
57.03445	2.0
57.03684	0.4
60.07869	0.5
60.08161	7.4
60.82460	0.3
61.41739	0.3
64.36094	0.3
64.81922	0.3
67.05516	0.3
67.27496	0.3
69.07065	0.4
70.06596	1.0
71.04990	1.5
71.51231	0.6
72.08152	0.7
72.93778	0.4
76.02225	1.0
81.03437	0.4
84.04467	0.8
84.08134	0.6
85.02902	100.0
86.03239	0.7
86.09698	0.8
87.10031	0.5
90.94837	0.7
97.02882	0.3
98.97574	0.8
105.06974	0.5
108.95876	0.6
116.98640	0.7
130.04987	0.3
133.01711	0.8
134.01283	0.3
134.99667	0.4
144.10194	2.1
146.99660	0.4
149.01192	0.6
150.96867	1.1
151.02823	0.6
167.97130	0.4
170.11749	0.8
173.08095	10.0
173.09348	0.4
190.98705	1.1
191.05896	0.4
208.99774	0.5
209.07079	0.4
232.11656	1.0
232.15411	21.0
233.05870	0.5
233.07910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03937	1.0
55.01865	0.4
55.05511	11.4
56.05040	0.5
56.96563	3.1
57.03431	0.4
57.05813	1.1
59.06120	0.4
61.02927	0.3
69.03426	4.9
70.03879	1.5
70.06578	0.4
71.05002	0.7
72.08154	100.0
73.08492	0.6
73.79665	0.3
79.15870	0.3
81.03426	1.9
81.07067	0.5
84.08143	0.6
84.96046	0.3
85.02897	2.5
86.09708	5.0
87.00842	0.6
91.05485	0.9
93.07085	0.4
95.05000	0.3
95.08622	0.2
97.02885	1.6
98.20827	0.3
98.97606	0.7
99.04472	1.4
100.45112	0.2
105.07043	1.7
109.02867	1.3
115.05450	0.5
116.98616	0.9
119.08630	0.6
127.03967	1.3
128.06258	0.8
128.25229	0.3
129.07025	0.8
129.10205	0.3
130.01747	0.2
131.08601	0.7
132.10201	3.2
133.06529	0.3
134.99669	1.1
137.02980	0.3
141.06999	0.3
142.07799	0.8
143.08572	1.1
145.06471	0.7
145.10118	0.3
146.99666	0.6
147.04440	0.3
147.08055	0.4
153.00703	0.3
155.04912	0.3
157.06544	0.6
157.10135	1.6
159.07991	0.5
161.06013	0.4
161.09633	0.4
170.07321	0.4
171.03247	0.3
171.08069	0.6
173.09595	0.3
175.07687	0.6
175.11226	0.4
177.00769	0.4
179.03432	0.8
185.09637	1.4
185.13226	0.6
185.16573	0.8
187.07837	0.3
189.04395	1.0
189.09172	0.8
192.01884	0.3
198.10414	0.3
199.02794	0.3
203.07004	0.4
203.10669	0.7
207.05353	1.6
208.03188	0.7
213.09166	0.9
213.12787	0.8
231.02954	0.8
231.06667	0.8
231.10141	2.0
231.13899	1.0
231.17097	2.6
253.00275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
52.10833	1.4
53.03949	3.2
55.01856	2.8
55.05519	3.1
56.96559	3.8
57.03423	1.2
57.07059	5.0
67.01868	1.5
67.05497	4.9
69.03428	52.7
69.07050	4.2
70.06558	1.8
71.04985	1.5
71.08630	2.0
71.09933	3.0
73.02902	1.3
79.05491	12.5
81.03410	6.2
81.07046	9.1
83.04980	3.0
85.02905	3.8
87.00806	1.9
87.04448	6.0
91.05481	14.2
93.07050	11.7
95.04968	4.5
95.08602	7.3
97.02880	3.4
98.97588	4.6
99.04424	3.6
105.07023	20.8
107.04926	4.0
107.08595	5.4
109.02880	1.8
109.06468	2.0
109.10146	1.9
111.04429	1.8
115.05459	3.0
116.98621	3.2
117.07018	6.6
119.08574	17.0
120.08916	1.4
121.06487	3.7
121.10146	5.9
127.03893	2.9
128.06209	7.5
128.98581	2.6
129.06985	12.4
130.07838	1.5
131.08572	11.6
133.10124	100.0
134.99673	2.4
135.07991	1.8
137.05974	2.2
141.06973	4.2
142.07765	10.9
143.08559	25.4
144.09309	1.5
145.06482	2.6
145.10117	19.0
146.99583	1.8
147.04332	2.8
147.08000	7.2
147.11719	2.6
149.09634	1.9
153.06950	4.3
154.07637	1.7
155.08545	12.4
156.09358	12.8
157.06532	3.0
157.10130	22.7
159.08072	2.5
159.11714	4.6
161.09668	2.8
165.06993	16.1
167.08597	3.4
169.10118	4.5
170.10924	22.3
170.99637	1.5
171.08060	10.1
171.11690	23.2
172.08754	3.1
173.09671	3.1
175.07538	4.6
175.14925	1.6
180.09319	20.0
183.08069	8.4
185.09641	4.3
185.13261	36.9
187.14822	3.1
189.00618	3.0
189.09056	2.4
189.12709	2.7
195.11681	36.8
197.09480	1.8
198.10384	15.1
201.00674	2.0
203.14371	1.7
213.12741	93.6
214.13045	1.5
231.02806	1.7
231.06448	2.2
231.10110	3.0
231.13795	40.9
231.17168	6.3
249.02805	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	231.138
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03938	3.5
55.01854	1.9
55.05506	7.3
56.96553	3.1
57.03429	1.2
57.07052	1.7
65.03934	1.3
66.97652	0.8
67.05511	5.9
69.03432	21.2
69.07062	4.6
69.39557	3.1
69.39983	5.4
69.48356	0.8
71.05000	4.5
79.05496	9.4
81.03420	8.3
81.06580	1.0
81.07056	14.5
83.04967	2.9
85.02920	7.0
85.06531	1.4
87.00809	3.1
91.05479	21.2
93.07039	14.4
95.04950	3.9
95.08615	7.7
97.02879	3.8
97.06539	2.0
98.97575	1.1
99.04453	6.0
103.05467	2.8
105.07027	33.3
107.04946	1.4
107.08587	9.7
109.02867	3.7
109.06495	2.6
109.10125	2.0
111.04440	2.9
115.05456	3.8
116.06209	1.1
117.07012	14.3
119.04920	1.0
119.08581	18.3
121.06489	3.3
121.10143	6.4
123.04413	1.3
123.08070	0.9
127.03918	6.7
128.06221	13.4
129.07005	30.6
130.07739	3.1
131.08571	29.2
133.06473	2.0
133.10129	7.7
134.99637	1.0
135.04407	2.1
135.08005	1.3
137.05984	3.3
141.07008	5.2
142.07794	13.3
143.08562	53.3
144.09348	4.4
145.06450	3.4
145.10117	32.2
146.07091	1.0
146.10748	1.1
147.08069	5.7
147.11728	4.3
149.05919	1.3
151.07510	3.1
153.06985	1.4
155.06085	1.8
155.08554	6.6
156.09369	6.9
157.06503	5.8
157.10127	37.2
158.10703	1.6
159.08054	2.7
159.11697	17.9
161.05948	2.4
161.09608	4.0
161.13167	1.2
163.07533	1.3
165.07047	4.8
166.23961	0.9
167.08531	2.8
168.09354	1.7
169.10126	3.0
170.10919	9.5
171.08047	7.2
171.11737	6.4
173.09573	2.8
173.13281	2.0
175.04012	0.9
175.07556	10.2
175.11176	3.9
175.14835	2.5
179.08641	1.1
180.09358	4.2
183.08112	1.5
183.11707	3.7
185.09779	4.7
185.13261	100.0
186.13548	2.6
187.11128	1.9
187.14824	6.2
189.09128	9.4
189.12744	1.5
195.11668	11.0
198.10416	2.3
203.10648	4.9
203.14323	8.5
213.12727	29.7
213.16225	1.9
231.10052	2.8
231.13794	93.2
231.17511	5.3
232.14105	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	231.1379
Annotation	Lindestrenolide
Peak:m/z	Relative Intensity
53.03922	3.4
53.13010	2.1
55.05515	12.9
56.96553	5.7
57.07079	3.1
65.03928	3.6
67.05502	17.7
69.03413	12.7
69.07066	6.0
69.35680	16.1
69.36086	6.6
71.04970	2.5
78.93919	2.2
79.05492	20.7
81.03407	6.5
81.07056	38.2
83.08602	4.0
85.02917	5.3
89.03905	7.6
91.05478	50.0
93.07047	31.9
95.04961	7.9
95.08598	23.7
97.06533	4.2
105.07024	50.9
107.08589	22.7
109.02879	7.1
109.10149	7.0
111.04447	2.7
114.35201	2.7
115.05450	3.6
117.07002	22.8
119.04939	7.5
119.08576	28.3
121.06504	5.7
121.10155	14.5
127.03979	2.6
128.06209	18.8
129.07004	25.3
130.07751	4.6
131.08568	44.9
132.02089	3.6
133.06476	7.0
133.10104	21.2
135.11644	5.9
137.05925	2.9
141.06958	5.6
142.07767	16.1
143.01338	4.8
143.08551	58.2
144.09375	3.5
145.02835	5.9
145.06494	5.1
145.10112	38.9
146.10864	5.9
147.04424	4.7
147.08026	10.4
147.11671	9.2
149.05916	3.3
149.13235	3.0
151.07547	4.4
155.01071	2.6
155.08543	10.7
156.09319	7.9
157.06490	4.5
157.10121	38.9
159.08061	5.5
159.11678	27.3
160.01477	11.2
161.05913	5.9
161.09622	9.3
161.13239	8.3
165.06943	3.8
169.10175	4.5
170.10918	8.3
171.08105	11.3
171.11673	11.2
173.09647	16.2
175.03911	59.4
175.07542	18.6
175.11220	5.8
175.14790	7.6
176.04204	2.8
180.09299	5.0
185.09807	4.8
185.13257	89.1
187.14836	5.1
188.01036	22.1
189.09074	11.7
189.12735	6.9
195.11655	12.5
203.03378	27.3
203.10646	7.4
203.14302	14.5
213.12730	25.9
231.02879	70.0
231.08182	2.8
231.10226	5.0
231.13789	100.0
231.17398	10.1
231.21010	17.2
232.03123	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
53.03934	6.4
55.01855	6.7
55.05499	11.2
56.05022	1.6
56.96567	10.2
57.03410	4.6
59.06118	1.5
61.02911	1.6
67.05497	2.6
68.99786	1.7
69.03072	2.1
69.03426	36.4
69.07083	3.5
69.33627	2.3
69.34035	12.8
70.06579	5.1
71.04992	6.8
72.08154	67.2
73.02909	3.2
77.77287	1.6
79.05486	6.6
81.03417	18.5
81.07040	2.4
83.01321	2.1
84.08122	3.8
85.02421	2.5
85.02899	28.2
86.09720	7.4
87.00800	6.7
89.23656	1.4
91.05476	16.9
92.63364	1.3
93.07029	5.2
95.04949	4.9
96.58656	1.5
97.02897	16.8
98.21490	3.2
98.97577	3.2
99.04447	9.0
103.05489	2.0
105.07018	26.2
107.04957	2.5
107.08586	1.7
109.02863	6.1
109.06501	2.2
115.05462	10.5
116.06233	2.5
116.16251	1.5
116.98617	6.2
117.07001	15.2
119.01916	10.4
119.04952	4.2
119.08564	9.9
121.02861	1.6
121.06473	5.2
123.04399	3.4
127.03932	9.5
128.06221	28.2
129.07004	25.2
129.10222	2.2
130.07718	2.0
131.01898	2.9
131.04915	3.3
131.08580	16.6
132.05669	1.6
133.06488	10.5
133.10117	11.7
134.07269	3.1
134.99646	4.8
137.02992	2.7
141.06984	15.3
142.07777	39.2
143.01935	2.3
143.08559	40.0
144.05672	6.4
145.05211	2.2
145.06474	34.8
145.10126	6.0
146.07251	5.5
146.99596	2.4
147.04388	1.9
147.08035	13.6
147.11703	2.6
149.05923	3.4
152.06203	6.4
153.06927	2.2
154.07747	3.3
155.04927	11.2
155.06042	2.4
155.08539	3.0
157.06526	10.5
157.10127	35.2
158.07263	5.5
159.04634	1.6
159.08041	28.6
159.11676	3.8
160.08806	5.3
161.02927	3.6
161.05949	8.6
161.09608	31.0
165.07013	1.8
166.05550	2.5
167.08527	11.5
169.06441	5.4
169.10181	3.0
170.07266	21.3
171.08031	33.1
173.05971	25.4
174.06737	5.7
175.07558	6.0
175.11168	8.6
177.00664	2.3
179.03362	4.1
183.08044	5.3
185.09604	64.6
186.10284	1.6
187.07550	9.3
187.11162	2.8
188.08243	4.3
189.02092	1.8
189.05516	2.6
189.09093	36.9
195.08070	10.1
198.06799	10.9
199.02617	2.2
201.09090	6.1
203.07048	1.9
203.10637	20.1
208.03081	5.2
213.09094	52.1
231.06577	3.4
231.10156	100.0
231.13881	3.5
232.10487	2.4
241.08681	3.0
253.00285	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	231.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01864	2.3
55.05504	14.8
56.96561	3.7
57.03429	2.7
61.02913	2.2
67.05492	3.1
69.03430	24.6
69.07066	2.5
71.04990	5.0
71.60493	1.8
78.80120	1.2
79.05491	2.8
80.90714	1.3
81.03407	8.3
81.07035	2.9
83.04980	100.0
84.66773	1.3
85.02901	72.5
87.00828	2.2
89.31805	1.1
91.05479	3.9
91.66311	1.0
93.07028	2.6
95.04954	1.2
95.08612	2.5
97.02906	2.2
99.04439	4.3
101.06011	2.4
105.07026	6.5
107.08587	1.9
109.02888	1.8
109.10179	1.9
111.04440	75.3
115.05480	1.5
117.07012	2.6
119.08601	5.5
121.10159	1.2
122.38297	1.1
123.11708	1.9
123.65635	1.2
127.03902	7.9
128.06166	2.0
129.05469	13.5
129.07008	4.8
131.08568	3.1
133.10149	1.7
134.99648	1.2
135.08063	1.3
135.68466	1.2
142.07756	6.9
143.08572	2.8
145.06505	1.4
145.10132	2.7
147.08034	1.8
147.11720	1.8
153.05487	8.9
153.07880	1.1
157.10124	14.1
159.11754	1.8
169.10181	1.7
171.06520	10.8
171.07895	2.1
171.11665	3.3
173.13243	1.3
183.08003	1.4
185.09668	2.7
185.13153	1.5
189.01894	1.5
203.10683	1.9
213.03917	1.3
213.09146	2.8
213.16405	2.4
231.06613	1.8
231.08322	2.7
231.10368	6.9
231.13646	7.4
231.17438	4.9
231.21046	2.2
235.48734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.6
55.01866	1.4
55.05515	1.7
56.96561	2.9
57.03434	4.1
61.02919	1.2
67.05505	2.2
68.99784	2.7
69.03429	100.0
69.07054	1.5
70.03745	0.9
70.89285	2.0
70.89615	0.8
71.04992	14.8
72.08131	0.9
79.05499	1.7
81.03417	46.2
81.07057	1.3
83.01317	1.1
85.02905	40.3
87.00826	19.8
91.05476	2.9
93.07054	1.6
95.08592	1.8
97.02884	15.2
98.97587	2.8
99.04454	33.7
105.01862	3.2
105.07047	3.3
107.08595	1.4
109.02878	18.4
109.10137	1.1
116.98621	1.8
117.06987	1.3
119.08568	2.2
127.03914	32.0
128.06204	2.5
129.07007	2.8
131.08595	3.0
132.20270	0.8
133.10121	1.7
134.99643	2.2
135.20772	0.8
141.07005	1.0
142.07794	1.6
143.08586	2.3
145.04974	3.2
145.10130	1.7
146.99577	1.0
147.07974	1.2
147.11641	1.2
154.78246	0.8
157.10123	3.3
159.08160	1.4
159.11719	1.3
171.11716	1.8
173.09680	1.0
177.00769	1.6
185.09557	1.4
185.13274	2.6
189.05574	1.4
202.07771	1.1
207.98340	0.9
213.03860	4.5
213.09204	0.9
213.12769	1.4
213.16443	1.2
231.02907	2.0
231.04651	4.3
231.10162	2.0
231.13753	4.1
231.17439	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	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.3
55.01870	2.7
55.05505	1.7
56.96561	2.4
57.03439	4.3
57.07062	0.9
57.57951	0.6
58.93653	0.6
61.02922	2.2
67.05511	1.4
68.99789	3.8
69.03427	100.0
69.07059	1.7
70.06588	1.4
70.94179	0.6
70.94528	1.5
71.04987	15.6
72.08163	1.3
73.02914	0.9
79.05513	1.7
81.03416	47.5
81.07049	2.6
83.01348	1.3
83.04984	1.1
85.02903	44.1
86.09707	0.9
87.00828	20.1
91.05481	3.1
93.07059	1.8
95.08617	1.9
97.02892	23.8
97.03513	1.2
97.06543	1.2
98.97560	1.5
99.04453	27.4
105.01862	4.2
105.07034	2.4
107.04929	0.9
107.08620	1.5
109.02877	17.4
109.06509	1.0
115.05454	0.7
115.55017	0.6
116.98592	0.8
117.07014	0.9
119.08590	1.7
120.08111	0.8
121.10173	1.0
127.03915	26.2
128.06248	2.1
129.07021	2.8
131.08566	2.2
133.10167	2.2
134.99702	2.4
135.11687	0.8
141.07002	0.8
142.07797	2.4
143.04906	0.8
143.08586	3.4
145.04991	3.1
145.06444	0.9
145.10155	2.1
147.08014	1.4
147.11751	1.2
153.01958	0.7
156.09377	1.0
157.06528	0.8
157.10139	3.7
158.99704	0.7
159.08112	0.9
159.11763	1.5
161.09573	0.7
171.02945	0.8
171.08047	1.1
171.11673	2.0
173.09654	1.8
175.07561	1.7
177.00754	1.1
185.09644	1.6
185.13297	3.0
187.11148	0.6
189.09137	1.4
203.14468	0.7
213.03908	4.5
213.05701	0.7
213.09195	1.7
213.12776	2.2
213.16335	0.6
231.04773	4.1
231.06938	0.8
231.10120	3.3
231.13699	5.3
231.17508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01865	1.4
55.05501	1.1
57.03434	3.2
57.78126	0.6
61.02928	1.5
68.99790	3.2
69.03425	100.0
70.26890	1.7
71.04992	10.3
79.05465	0.7
81.03410	44.5
83.01334	1.1
83.04997	0.7
85.02899	37.2
87.00824	17.7
89.46013	0.6
91.05450	0.9
93.07029	0.7
95.04980	0.6
95.41174	0.6
97.02888	21.0
98.97539	0.8
99.04443	23.6
105.01850	4.8
105.07066	1.5
109.02873	16.7
117.06982	0.9
119.08566	1.1
121.06548	0.6
125.96080	0.6
127.03912	24.2
128.06232	0.6
129.07021	1.3
131.08606	0.7
143.08559	0.9
145.04980	2.2
145.10138	1.3
147.11761	0.6
157.10152	1.5
171.11710	1.3
175.07593	0.7
185.13246	1.2
213.03879	3.2
231.04875	4.3
231.13855	2.3
231.17529	1.4
251.98793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01841	0.9
55.05510	1.3
56.96565	1.6
57.03434	1.1
59.04961	1.1
62.61015	0.9
67.05508	2.6
69.03429	11.7
69.97116	5.9
70.06586	3.3
71.04977	1.3
72.08200	1.2
79.05492	1.3
81.03408	5.2
81.07037	1.6
84.04522	1.0
85.02904	4.9
86.01312	1.1
87.00805	2.6
87.04462	1.8
91.05482	7.2
93.07033	3.8
95.04950	1.0
95.08585	1.4
97.02877	3.5
98.06023	2.4
98.21381	2.1
98.97601	1.5
99.04442	3.7
105.07034	15.6
107.08591	1.8
108.04453	1.4
109.02857	1.9
109.06513	1.6
110.06033	1.3
115.05422	1.6
116.98657	2.0
117.07030	3.8
119.07793	1.6
119.08589	24.3
126.05575	2.5
127.03927	2.6
128.06224	2.4
130.07764	3.5
131.08549	5.3
133.06488	14.8
133.10109	3.7
134.99669	1.5
141.06982	2.1
142.07727	1.2
143.08563	3.1
145.10124	31.3
147.08040	4.6
147.11693	43.1
156.09380	9.1
159.08049	2.8
171.11711	10.1
172.11177	2.5
174.10388	4.1
184.07556	1.7
185.13277	1.6
188.14371	1.9
189.12753	90.2
190.13240	1.5
230.15405	100.0
231.10243	1.1
250.41403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
50.89235	1.8
55.01872	2.4
55.05512	17.9
57.03425	6.3
57.07055	7.2
57.34066	1.9
58.06598	2.2
58.81736	1.7
59.04993	3.1
60.08153	18.3
61.08497	3.0
67.05166	3.0
67.05505	44.2
69.07069	18.2
69.52266	15.9
71.04992	10.3
71.08617	2.0
79.05481	13.7
81.07052	57.7
83.04944	3.2
83.08630	15.2
85.06532	9.7
91.05469	17.0
93.07034	17.0
95.04958	2.2
95.08604	81.7
97.06520	17.3
97.10165	6.1
98.21447	4.8
99.08075	9.0
105.07032	17.4
107.08598	9.0
109.06502	2.2
109.10141	20.1
111.08067	5.6
113.09628	2.9
115.07519	2.5
119.08579	29.9
121.10130	5.7
123.08065	6.6
127.07508	3.4
133.10143	20.7
135.11705	10.3
137.13277	12.1
151.11108	2.1
151.20851	2.1
155.10646	1.9
159.11720	1.9
161.13249	52.1
173.11728	3.3
179.14310	32.1
197.15358	8.2
229.14259	3.1
229.27211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05511	3.3
57.03423	0.5
57.07056	0.8
59.04998	0.5
59.95674	0.5
65.05936	0.4
67.05170	0.6
67.05504	9.6
67.67076	0.4
69.07072	2.9
71.59245	0.9
73.05218	0.4
79.05481	3.6
81.07060	6.6
82.96861	0.4
83.08625	2.5
83.60587	0.4
91.05480	4.1
93.06465	0.6
93.07042	9.8
95.04975	0.6
95.08604	7.8
97.10125	0.5
105.07029	7.6
106.01754	0.4
107.07869	0.5
107.08596	9.7
109.06516	0.6
109.10162	8.8
117.07002	2.7
119.08580	9.1
121.09305	0.7
121.10146	9.1
123.11699	2.4
124.52420	0.4
129.06970	1.1
130.07857	0.7
131.08577	11.0
133.10127	14.1
135.11699	5.5
143.08534	1.8
144.09328	1.6
145.06398	0.5
145.09039	0.8
145.10129	11.2
147.11696	4.7
149.13293	1.0
157.10126	1.1
158.10855	1.8
159.11700	16.1
159.13023	0.9
160.12497	1.1
161.13242	1.2
171.11694	2.4
171.12921	0.5
172.12465	0.6
173.11865	1.0
173.13258	18.2
174.13968	0.5
185.13252	3.1
186.14093	2.2
187.14842	8.2
199.14861	2.3
200.15620	1.6
201.16357	2.2
214.17180	1.8
227.17862	0.6
229.19511	100.0
230.19859	1.8
230.24809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15715	1.7
50.72791	1.7
55.05507	16.5
56.96552	10.6
57.03432	14.1
57.07073	3.3
59.04991	3.4
67.05503	100.0
69.03423	3.1
69.07057	15.3
70.06586	3.3
71.04976	7.4
71.60554	1.9
79.05479	10.5
81.07060	48.9
83.08609	14.2
85.06537	9.8
91.05464	16.7
93.07040	14.3
95.04970	4.6
95.08606	45.6
97.02914	2.2
97.06527	10.7
97.10175	2.5
99.08083	3.6
102.09152	2.2
105.07026	14.6
107.08597	8.2
109.06520	2.7
109.10154	74.0
111.08058	4.8
113.09661	2.2
117.07033	4.9
119.08569	22.8
121.10133	5.3
123.08048	4.8
131.08569	5.6
133.06583	1.7
133.10136	12.7
135.11653	6.4
137.09630	4.9
137.13287	5.5
141.06976	2.4
145.10124	7.5
155.08562	4.3
155.10652	5.1
159.11668	5.7
161.13252	31.7
165.06992	2.0
168.09344	2.3
169.10130	3.5
173.09584	3.5
173.11732	20.3
173.13165	3.2
179.14319	15.8
183.11688	5.3
185.10059	3.7
187.11169	3.4
197.15344	2.6
201.09125	3.5
205.98846	2.1
211.07401	1.8
211.11092	2.3
229.08667	5.2
229.12192	6.8
229.14360	20.4
229.16216	3.4
229.19540	7.3
229.23541	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	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
56.05037	0.4
58.06343	0.6
58.06602	6.6
58.71754	0.5
59.07371	1.5
60.07870	0.6
60.08165	8.8
61.02906	0.4
67.79107	0.4
68.05016	1.1
70.06593	40.4
70.84328	1.1
71.42419	0.3
72.08157	4.7
78.76267	0.3
79.35069	0.3
83.97198	0.3
84.04500	3.4
84.08124	0.5
84.51438	0.4
86.09682	0.7
93.21610	0.4
96.08127	1.3
97.02902	0.6
98.06062	1.0
98.97558	0.5
102.04015	0.5
111.12395	0.4
112.08724	0.8
114.04930	0.4
114.05545	4.1
114.09184	2.2
116.07063	1.0
118.03525	1.3
118.08666	3.0
119.01881	1.6
121.98489	0.3
124.07616	2.8
126.09180	0.7
128.02316	0.9
131.01924	1.3
133.03506	0.8
136.04501	0.5
137.02834	0.4
141.05171	0.4
142.08635	32.8
143.06676	0.4
143.08989	0.5
146.02235	0.5
157.03456	0.4
159.06125	0.5
160.04648	0.4
161.07664	0.9
169.07155	0.4
170.08163	1.9
183.11292	1.5
183.14984	0.4
184.04582	0.7
187.05650	1.1
202.05621	0.7
205.06660	0.7
229.15472	100.0
230.15796	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01869	0.5
56.96562	4.1
57.03413	0.5
58.06600	5.4
59.07374	1.2
59.48307	0.3
60.07869	0.5
60.08160	7.0
63.20889	0.3
68.05017	0.7
70.06591	34.4
71.35968	0.3
71.39131	0.5
71.39462	0.4
72.08149	1.6
73.02927	0.5
84.04482	1.0
84.56285	0.3
84.75414	0.3
84.96036	0.3
86.09692	1.0
96.08123	1.0
98.06025	0.7
98.97575	3.8
114.05525	3.5
114.09173	1.9
116.07069	1.4
116.98611	3.9
118.08629	0.4
119.01818	0.4
124.07594	3.2
126.09145	0.5
134.99644	3.2
142.08633	29.9
143.08995	0.5
143.93834	0.3
153.00722	0.6
158.04912	1.0
160.06465	0.5
170.08147	1.6
177.02338	0.4
183.11311	0.7
184.03142	0.4
188.05968	0.5
189.04337	0.9
206.07019	0.7
207.05453	0.7
224.08078	2.3
229.15468	100.0
230.06848	0.4
230.15796	1.9
248.08141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.88998	1.6
55.01874	2.1
55.05501	5.9
56.96561	7.2
57.03431	4.1
66.75400	1.6
67.05502	39.0
69.03416	1.9
69.07066	14.6
70.06586	2.2
70.52223	4.0
71.04995	3.7
75.71404	1.6
79.05498	2.9
81.07049	10.9
82.48888	1.9
83.04983	1.8
83.08617	3.3
85.06553	2.5
91.05467	6.9
93.07042	3.7
94.54305	1.6
95.04969	8.7
95.08617	10.4
97.92770	1.6
98.06068	2.4
98.97575	2.2
99.00844	1.6
105.07037	6.6
107.08587	3.8
109.06486	1.8
109.10155	100.0
110.10492	1.6
116.98613	5.3
117.07027	2.3
119.01932	5.0
119.08572	9.5
121.06553	2.0
121.10179	3.0
123.11691	10.5
127.11186	32.4
128.06142	1.9
131.08549	4.0
133.10139	7.5
134.99667	4.5
137.03036	3.0
137.09639	8.7
139.07602	2.2
143.08546	3.6
145.10143	6.7
146.99681	2.0
147.11681	2.1
150.99178	3.5
151.11201	4.0
155.08600	4.1
155.10611	2.4
157.10088	2.2
159.08092	2.8
159.11740	3.9
161.09590	5.0
162.99124	2.2
168.09346	2.3
169.00127	1.7
169.10153	2.4
171.11703	2.4
173.09555	2.2
173.11752	16.3
173.13162	3.8
179.10629	12.2
181.10167	1.9
183.08047	2.8
183.11737	6.9
187.11264	2.8
197.11722	8.6
201.09100	3.0
205.98900	3.0
211.07552	3.0
211.11208	2.4
212.09357	1.8
229.08577	5.8
229.12238	6.8
229.14217	5.1
229.16264	8.9
229.19524	4.5
229.23557	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03939	4.0
55.01853	6.8
55.05265	3.5
55.05510	56.1
56.96567	11.7
57.03424	6.6
57.07066	8.4
59.04984	6.5
63.91608	1.8
65.03925	2.5
67.05169	3.3
67.05507	60.2
69.03427	25.9
69.07068	45.4
70.06586	3.1
71.04984	13.4
71.08622	2.4
71.59349	2.4
79.05486	21.0
81.03442	2.9
81.07056	100.0
83.04984	42.6
83.08625	38.1
85.02890	4.0
85.06542	23.7
87.04475	3.8
91.05489	32.4
91.48936	1.9
93.07047	32.7
95.04968	11.6
95.08604	38.8
97.02863	3.9
97.06527	9.7
97.10151	7.3
98.97592	13.6
99.04462	3.2
99.08095	13.7
101.06006	6.4
105.07035	45.2
107.08588	37.2
109.02861	6.6
109.06528	12.1
109.10155	73.3
111.08071	6.0
113.05975	2.7
116.98627	10.7
117.07012	3.1
119.01893	7.3
119.07771	3.7
119.08581	42.3
121.06488	7.2
121.10135	32.1
123.08041	6.4
123.11707	50.5
125.09621	10.2
127.07558	2.0
127.11183	21.9
128.02322	6.0
128.06210	5.1
128.98572	3.6
129.07001	7.4
131.08582	15.1
133.10141	17.4
134.99638	7.7
135.08058	4.3
135.11694	14.1
137.02904	4.7
137.09612	3.9
137.13251	4.0
141.06982	6.6
142.07770	3.4
143.08560	9.3
144.09309	5.0
145.06508	4.9
145.10112	17.8
146.99646	4.1
147.11687	80.0
149.01190	3.1
149.13280	12.4
151.11162	8.2
153.07005	3.7
155.08510	10.4
156.09346	3.4
157.10092	9.2
158.07220	2.8
158.10901	6.8
158.99661	3.5
159.08069	6.3
159.11693	13.3
165.07036	2.6
165.12767	29.3
167.14336	21.2
168.09322	3.7
169.10056	6.1
169.12227	24.3
170.10828	5.7
171.08032	2.5
171.11725	7.6
172.08817	4.5
173.09619	23.8
173.11775	4.9
173.13246	22.9
175.11151	2.6
175.14795	6.4
177.00720	6.5
183.08125	3.7
183.11682	13.8
183.13655	2.8
185.09595	2.2
185.13326	4.3
185.15364	6.8
186.10417	11.1
187.07536	2.4
187.11183	34.7
189.00676	2.6
193.12169	3.1
193.15884	8.5
195.09654	5.1
196.08766	3.1
196.12332	2.6
199.07932	2.9
201.00620	2.9
201.05486	2.6
201.09070	4.8
201.12746	26.1
201.16330	4.0
205.98682	2.4
211.07579	4.6
211.11165	8.7
211.14973	3.7
211.16904	47.8
214.10001	2.8
219.01784	3.1
229.05026	3.6
229.08585	7.6
229.12300	53.9
229.14273	8.6
229.16208	13.8
229.19591	10.9
229.23412	3.6
230.12318	2.4
237.33661	2.2
237.69916	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
56.96566	9.3
57.03428	6.1
57.07094	1.8
59.05004	2.9
62.76188	1.4
67.05166	3.1
67.05505	42.1
69.03422	1.8
69.07064	11.6
70.06586	2.7
70.52092	5.2
70.52441	1.9
71.05002	3.6
74.97613	2.2
79.05499	4.8
81.03477	1.7
81.07063	11.7
83.04977	1.5
83.08637	4.4
85.06544	2.4
91.05473	6.8
93.07046	5.9
95.04972	6.1
95.08604	10.3
97.06500	2.0
98.97613	3.5
99.04482	1.7
105.07038	6.7
107.08593	6.4
109.06527	2.4
109.10157	100.0
114.27926	1.5
115.05460	1.9
116.98658	2.8
117.07004	3.2
119.01929	6.5
119.08572	8.2
121.10150	2.5
123.11690	9.7
127.11177	22.3
128.06175	1.6
129.06979	2.3
131.08530	4.7
133.10150	5.3
134.99612	2.5
135.11700	2.7
137.02945	1.9
137.09604	8.1
141.06905	1.9
142.07782	2.2
143.08565	5.4
145.10109	5.5
149.01297	1.9
150.99193	3.4
151.11122	3.0
153.07007	2.2
155.08525	4.6
156.09348	1.7
157.10143	2.0
159.08104	4.1
159.11684	5.1
161.09660	3.9
162.99153	1.6
164.23782	1.5
169.10092	3.7
171.11656	1.7
173.06068	1.8
173.09663	3.2
173.11765	13.7
173.13101	3.1
179.10692	5.9
183.08060	2.9
183.11760	3.1
185.09654	1.6
185.13246	2.2
187.00783	2.1
187.11174	2.2
197.11789	4.4
201.09186	2.8
201.12762	2.2
211.07471	3.2
211.15024	1.8
211.16925	2.6
229.08557	7.5
229.12215	7.3
229.16220	8.9
229.19466	4.5
229.23631	2.6
235.18134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.28093	4.4
55.05503	11.2
56.96555	16.7
57.03428	11.7
57.07059	13.0
67.05499	61.9
70.06579	14.3
71.60328	6.3
79.05495	11.5
81.07056	24.4
83.08590	6.7
85.06528	5.8
87.60239	4.7
88.07619	14.5
89.07963	9.4
90.68299	4.4
91.05494	22.4
93.07028	11.9
95.04938	5.2
95.08598	13.7
96.34436	4.7
102.09170	7.2
103.09518	5.4
105.07011	28.4
107.08542	7.5
108.04174	5.2
109.06511	7.6
109.10157	45.0
111.08015	4.7
117.06984	6.0
119.01923	9.5
119.08551	21.1
121.10143	10.3
123.11735	5.6
129.06987	10.7
131.08577	19.4
133.10103	9.2
134.99623	4.6
143.08553	7.3
145.10123	9.7
147.11674	28.6
155.08546	13.7
157.10120	14.1
159.11725	8.4
164.44199	4.7
165.12808	9.2
168.09370	6.5
169.10057	7.4
171.11667	6.4
173.09573	5.7
173.11775	10.3
175.11197	6.1
183.08025	6.1
183.11674	16.0
187.11195	5.6
193.10318	4.6
193.12181	5.9
205.68134	4.6
211.07758	6.6
229.08640	15.0
229.12196	23.3
229.14340	23.5
229.16035	15.1
229.19524	16.7
229.23549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.69127	0.8
55.05511	8.1
57.03182	1.3
57.03434	17.8
57.07050	1.3
59.05005	4.7
65.03957	1.3
65.17485	0.9
67.05502	100.0
67.07393	0.8
68.05846	1.2
69.07057	2.4
71.04983	3.5
79.05462	1.1
81.07059	14.5
83.08608	6.0
85.06543	3.4
86.24541	0.9
91.05460	5.5
93.07034	2.5
95.08613	4.9
96.19321	0.8
98.20716	1.8
107.08610	1.8
109.10152	83.2
111.08068	2.9
119.08575	5.2
137.09615	4.4
155.10730	4.5
173.11745	20.2
186.98048	0.8
229.08571	1.2
229.14304	21.5
229.23616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.40665	2.3
54.48987	2.6
55.05512	27.6
56.05835	5.3
56.96558	8.0
57.03436	19.9
57.07076	4.3
57.84532	2.8
59.04998	7.2
67.05502	100.0
68.05830	5.5
69.03407	4.2
69.07055	14.1
69.44960	14.4
69.45386	11.1
70.06603	2.4
70.07383	4.2
71.05003	10.4
72.05305	3.2
72.81157	2.5
79.05489	13.1
81.03416	31.4
81.07053	33.3
81.50360	2.6
82.07397	6.7
83.04963	8.2
83.08610	24.5
84.08958	4.0
85.02894	4.6
85.06541	6.7
86.06026	5.1
86.52914	2.3
90.53742	2.6
91.05470	15.6
93.07042	15.9
94.12223	2.8
95.04962	10.0
95.08611	31.6
96.08926	14.1
97.02953	4.7
97.06485	3.7
97.10186	6.0
98.06050	2.9
98.10496	3.4
98.21558	5.0
99.04433	2.9
103.89818	2.5
105.07040	16.6
107.08639	5.8
109.06488	5.2
109.10159	70.2
110.10498	10.9
111.08085	9.9
117.06936	5.9
119.08578	20.6
120.08960	3.1
121.10145	7.5
122.06034	4.1
129.07005	5.5
131.08557	12.4
133.10152	7.7
135.11664	2.8
137.09575	3.9
138.21793	2.7
145.10135	9.9
147.11649	6.2
149.01215	5.0
149.09592	4.9
155.08530	4.3
156.40417	2.5
157.10098	6.1
159.11684	9.0
173.09644	4.4
173.11751	16.4
173.13191	5.3
175.11191	10.0
176.15170	9.9
182.94026	3.2
183.11667	3.9
187.14801	4.0
193.12250	26.7
194.16205	5.9
205.98788	4.1
211.07755	2.7
211.13232	30.7
211.19023	3.4
212.17365	3.5
229.08676	5.8
229.12233	4.4
229.13979	15.5
229.16208	5.3
229.19530	18.3
229.23529	4.3
245.98393	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
50.19288	0.4
50.76768	0.4
53.03941	0.5
55.01901	0.6
55.05512	2.2
56.96563	2.9
57.03434	1.3
57.07082	0.7
67.05505	4.0
69.03416	0.9
69.07075	0.8
69.64885	0.5
70.06606	1.0
71.05001	0.8
71.08670	0.4
73.02924	0.7
79.05524	1.4
81.07062	4.0
83.04993	1.7
83.08620	0.4
85.06580	0.4
91.05471	3.4
93.07062	1.4
95.04979	0.7
95.08607	1.6
97.02889	0.4
97.06588	0.5
98.06116	0.4
98.97602	1.6
105.07026	5.8
107.08582	0.9
109.06520	0.5
109.10155	3.3
111.04475	1.4
115.05441	1.1
116.98624	2.0
117.06965	2.4
119.01942	1.4
119.04906	1.0
119.08600	1.5
121.06490	0.6
121.10115	0.6
122.06042	0.6
128.06229	3.5
129.07004	4.0
131.08560	5.8
133.10118	0.6
134.99626	1.3
141.06973	4.7
142.07777	9.9
142.08781	0.4
143.08551	9.7
144.09294	0.8
145.06412	2.1
145.10115	6.8
147.11636	0.5
150.02379	0.4
150.99014	0.4
153.06964	4.1
154.07747	1.8
155.08551	33.4
156.08960	0.7
157.10124	6.1
158.07220	0.6
158.99696	0.6
159.08026	3.5
159.11659	2.0
165.06963	0.7
167.08566	1.8
168.09341	18.6
169.06474	0.6
169.10121	5.7
171.08055	2.5
173.09605	3.6
173.11786	0.8
173.13245	6.9
177.00737	1.2
178.07733	2.3
181.06517	1.1
181.10139	1.4
183.11687	100.0
184.12090	1.7
185.09618	6.5
185.13257	1.3
187.07556	2.1
187.11208	3.1
191.05899	0.8
193.10123	9.1
195.09641	0.6
196.08815	2.0
199.11237	0.6
201.09157	0.7
201.12759	8.5
211.11151	10.2
229.09756	3.6
229.12199	32.5
229.15912	1.2
229.19464	0.8
229.23640	0.6
247.08464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03947	4.9
55.01863	2.6
55.05513	9.6
56.09380	0.9
56.96565	6.5
57.03435	2.5
57.07065	2.2
59.04994	1.1
65.03948	1.6
67.05228	0.9
67.05508	12.4
69.03432	2.4
69.07062	6.5
69.53101	8.7
79.05054	1.6
79.05493	18.6
81.03410	4.0
81.07062	17.9
83.08604	2.3
85.02886	2.3
91.05481	30.5
93.07039	14.7
95.04971	5.5
95.08607	5.3
97.10151	1.0
98.20828	2.1
98.97578	11.1
103.05470	5.6
105.07027	22.7
107.04944	7.6
107.08550	5.0
107.87082	1.0
109.02867	9.3
109.06428	1.4
109.10165	3.8
115.05451	7.8
116.06245	1.4
116.98628	8.0
117.07020	15.2
118.07784	1.3
119.01832	3.7
119.04913	2.1
119.08574	18.0
121.06502	4.3
123.04385	1.8
128.02312	3.8
128.06209	13.9
129.06996	28.8
130.07776	4.0
131.04971	2.5
131.08563	19.6
133.06503	3.3
133.10126	2.4
134.99637	4.0
135.04398	5.7
135.08032	1.3
137.02863	1.5
137.05934	1.8
141.06996	23.0
142.07777	16.6
143.08569	18.8
144.09343	6.2
145.05078	0.9
145.05441	1.1
145.06456	8.3
145.10126	13.5
147.04323	1.1
147.08047	2.5
147.11652	1.1
149.05942	5.5
152.06154	1.3
153.06975	14.1
154.07784	6.3
155.08543	44.5
156.09377	1.6
157.06541	2.4
157.10120	35.3
158.07297	1.7
158.99599	3.1
159.04533	1.6
159.08029	7.1
159.11681	3.5
161.05952	3.1
163.07523	1.6
165.06967	2.1
166.07730	1.5
167.08601	6.0
168.09355	28.1
169.06454	1.3
169.10159	6.6
170.10901	1.0
171.07996	2.9
173.05994	3.8
173.09610	12.6
173.13240	5.4
177.00725	3.6
178.07779	4.6
181.06480	3.2
181.10094	6.6
182.97758	1.1
183.08116	3.3
183.11694	72.0
185.09555	1.3
185.13293	3.0
186.09021	1.5
187.00873	1.3
187.07513	7.3
187.11136	3.4
193.10114	10.8
195.09673	4.1
196.08836	4.4
201.09102	54.1
201.12735	16.3
203.05934	1.8
208.08586	1.4
211.11168	17.4
217.09119	1.2
229.12234	100.0
229.15921	2.9
229.19551	2.5
230.12549	2.0
231.32503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.01859	0.7
55.05496	1.1
56.96568	1.8
57.03433	0.7
58.50848	0.3
63.49368	0.3
67.05499	3.3
69.03416	1.1
69.07055	0.7
70.06581	0.8
70.63377	0.4
71.04979	0.5
73.02930	0.6
74.92072	0.4
74.97607	0.4
79.05479	0.7
81.07062	3.2
83.04981	2.1
83.08604	0.6
85.06510	0.4
91.05469	3.3
93.07042	2.7
95.04950	0.5
95.08596	1.2
97.06511	0.6
98.97570	1.3
105.07025	7.8
107.08589	2.0
109.06522	1.1
109.10139	2.8
111.04430	1.2
115.05476	0.8
116.98601	1.3
117.07059	1.8
119.01956	0.4
119.04940	1.0
119.08570	2.1
121.06540	0.5
121.10167	0.7
128.06207	3.0
129.07024	3.4
130.07825	0.6
131.00140	0.5
131.07599	0.4
131.08566	6.3
133.10117	1.0
134.99644	0.8
135.11647	0.4
141.06992	3.7
142.07776	8.9
143.08560	9.5
144.09288	0.5
145.06483	1.2
145.10130	6.8
147.08054	0.4
153.06985	3.8
154.07764	1.1
155.08546	34.1
156.09177	0.7
157.10123	6.2
158.07288	0.6
158.10812	0.5
158.99666	0.5
159.08041	3.8
159.11691	1.2
165.07080	0.7
166.07744	0.4
167.08585	1.3
168.09340	17.3
169.10110	5.2
171.08040	2.1
173.06085	0.3
173.09615	3.8
173.11900	0.7
173.13251	6.1
177.00777	0.7
178.07722	1.9
181.06450	1.7
181.10077	1.2
183.11687	100.0
184.12067	1.6
185.09621	6.6
185.13237	1.4
186.10379	0.4
187.07550	2.0
187.11201	2.4
193.10129	11.4
193.11807	0.8
195.01707	0.4
196.08824	2.3
201.09126	0.5
201.10831	0.4
201.11400	0.2
201.12738	8.9
211.11180	11.2
229.08658	0.9
229.12228	31.2
229.15967	1.0
229.68320	0.5
230.65063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.4
55.01859	12.4
55.05506	35.5
56.96568	27.3
57.03439	50.5
57.07072	10.9
61.02925	8.7
63.41558	4.1
65.03953	6.2
67.05505	29.8
69.03079	5.8
69.03433	100.0
69.07052	15.1
70.06583	32.1
70.79154	12.0
71.00960	4.0
71.01356	7.1
71.04991	30.4
72.08141	15.5
72.69583	3.8
73.02901	13.3
79.05479	14.8
81.03416	36.4
81.07049	17.7
83.04987	30.7
84.04497	13.0
84.08114	13.2
85.02909	57.4
85.06538	25.1
86.09692	35.0
89.42056	3.9
91.05495	20.8
93.07041	20.6
95.04958	23.2
95.08599	14.9
97.02885	41.5
97.06510	12.2
98.06005	5.7
98.97584	13.6
99.04441	20.4
99.08066	4.7
101.02368	4.1
105.07017	10.2
107.08587	6.2
109.02866	8.6
109.06502	17.5
111.04469	9.7
111.08075	6.9
111.34608	3.9
115.03934	6.0
116.07110	24.4
116.98604	11.6
117.07028	7.8
119.01922	7.6
119.08561	11.5
121.06496	16.5
123.08080	9.4
127.03943	47.4
129.05466	14.2
131.01889	5.3
133.06441	4.0
134.99641	9.6
141.10236	4.0
145.04916	6.9
147.01335	4.9
147.07999	10.5
151.07550	9.8
156.03423	6.9
157.03688	8.5
163.07510	6.4
163.97713	5.8
174.04399	18.6
175.04832	21.1
175.07529	4.2
177.00676	6.2
183.11331	5.5
186.04330	10.3
187.04686	17.3
192.05431	6.2
193.05774	5.1
201.12465	9.8
204.05463	18.5
205.05811	34.1
205.98772	16.6
211.07527	4.9
229.08633	7.2
229.10643	8.2
229.15540	28.2
229.23633	8.6
247.06740	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	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
52.74592	0.2
55.05506	0.7
56.96558	0.6
57.03434	0.2
57.06639	0.3
57.07072	7.2
58.06587	1.9
59.07391	0.3
60.08161	23.7
67.05494	1.4
69.07068	0.3
71.08628	2.6
71.20870	0.2
71.21214	0.4
78.63079	0.2
81.07043	0.7
83.08609	0.2
85.10182	0.7
91.05499	0.3
95.08601	0.9
107.08529	0.2
108.48209	0.2
109.10155	1.2
109.30757	0.2
115.18729	0.2
133.10109	0.2
137.05943	1.1
143.44991	0.2
147.11661	0.2
184.09274	0.2
193.59644	0.6
196.59729	0.3
205.98766	0.2
207.60777	0.2
216.61212	3.6
217.11383	0.9
228.12093	1.1
228.23186	3.0
228.26851	100.0
228.62189	0.3
229.08479	0.2
229.27231	1.5
232.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.3
55.01874	0.8
55.05511	0.6
56.96564	5.7
57.03434	1.6
58.06598	5.6
59.07132	0.2
59.07374	1.1
60.08162	7.7
61.02922	1.9
62.43663	0.2
67.05497	0.4
68.05021	1.0
69.03421	1.1
70.06590	36.9
70.98114	0.6
71.04969	0.7
72.08155	2.6
73.02918	2.0
74.97609	0.5
75.04478	0.4
77.00874	0.5
81.03410	0.4
82.06577	0.3
84.04496	2.2
84.08152	0.8
84.96034	0.5
85.02905	2.1
86.09705	0.8
88.03980	0.2
88.99168	0.5
89.00835	0.3
90.01536	0.3
92.01318	0.3
96.01543	0.3
96.08129	1.9
97.02888	0.7
98.01266	0.2
98.06054	0.8
98.97581	3.5
99.04489	0.3
101.00858	1.5
104.01279	0.5
110.01272	0.7
110.97612	0.4
112.99158	0.2
114.05522	3.7
114.09146	1.5
115.02425	0.2
116.07086	1.5
116.98621	3.5
117.01884	0.4
118.01084	0.3
118.08640	0.8
119.01907	13.4
120.02040	0.4
121.01611	0.3
124.00996	0.2
124.07598	3.1
125.01809	0.3
126.09174	0.8
126.98677	0.2
127.03916	0.5
128.02298	1.9
128.98613	1.0
131.01860	0.8
132.00775	0.3
133.01633	0.6
133.03468	1.0
134.99649	2.4
136.06120	0.2
137.02930	5.0
138.00757	0.3
139.01550	0.5
140.02306	0.2
141.01271	0.4
142.08627	31.4
142.96562	0.3
143.00185	0.4
143.01874	0.4
144.99809	1.3
145.01530	0.4
145.03433	0.4
145.04918	0.3
146.02391	0.5
146.99648	1.7
147.01346	0.5
147.04959	0.3
147.53267	0.2
148.02036	0.6
148.03856	1.2
149.01208	0.4
153.00633	0.3
156.01863	0.4
157.02521	1.0
157.04454	0.4
158.04883	0.2
158.99748	0.5
159.01283	0.5
160.02002	0.5
160.06485	0.3
161.01227	0.7
161.02975	0.8
162.01793	0.8
163.02550	0.3
165.00719	0.9
168.01836	0.5
168.99809	1.3
169.02596	1.2
170.08112	1.6
170.99649	0.3
171.02315	0.3
172.95268	0.4
174.01923	0.2
174.99133	0.5
175.02605	0.4
177.00697	1.0
177.02368	0.7
177.52469	0.4
178.03101	1.0
178.04892	0.3
179.02272	0.3
181.02583	0.3
183.02344	0.9
183.11327	0.9
184.03091	1.2
184.53325	0.3
186.02821	0.5
186.53117	0.2
186.99260	0.4
187.00876	2.9
188.97052	0.3
189.00699	0.8
190.03110	0.7
190.96268	0.3
190.98573	0.6
191.00317	0.3
191.02245	0.3
191.03944	0.3
192.02870	0.9
193.00281	0.3
193.03728	0.5
196.99403	0.5
198.02846	0.3
201.00720	0.4
202.98625	0.2
204.02806	0.4
205.00143	0.5
205.01924	1.0
206.06934	0.5
207.01715	0.5
213.03250	0.3
215.00377	2.5
215.02226	0.4
217.00119	0.3
220.04138	0.6
220.06053	0.2
223.01312	0.4
224.08124	1.2
229.15462	100.0
235.01331	0.4
237.02826	0.8
248.08031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.4
55.05506	23.4
56.96566	84.3
57.03426	17.2
57.07067	14.8
59.09148	7.1
61.02929	35.9
68.05043	7.4
69.03413	24.6
69.07053	21.8
70.06600	12.8
70.60889	20.4
70.98108	19.4
71.01344	28.0
71.04987	10.4
72.08154	8.3
73.02911	33.0
74.97598	8.0
81.03387	12.4
83.08597	9.9
85.02908	34.6
86.09693	8.7
87.04478	10.0
88.99155	23.7
90.94841	7.8
93.06969	7.6
97.02894	22.6
97.10139	9.9
98.01292	40.3
98.97582	69.4
103.03931	60.2
107.00150	8.7
107.01788	33.5
110.01251	9.1
110.06005	7.0
112.01025	20.8
116.98625	65.7
119.01814	17.4
125.01803	14.0
126.00737	26.9
127.03888	10.7
128.52632	6.7
128.98596	23.4
131.03448	10.8
132.02588	8.8
133.01517	34.3
134.01247	8.1
134.99678	49.1
135.01250	35.6
138.00751	10.6
140.02350	10.8
142.02043	11.7
146.99664	49.4
147.01270	31.8
149.01186	13.1
150.96860	10.5
153.00710	7.7
156.01811	53.9
156.03593	8.8
158.04491	15.4
158.99649	11.3
161.01279	13.7
161.02681	13.3
165.00706	65.5
168.01830	13.5
170.03322	17.0
171.04205	7.7
173.04579	8.0
177.00696	45.9
177.05560	6.8
179.03903	14.8
183.02139	14.2
186.04288	8.6
189.00656	22.3
189.02228	9.9
195.01714	32.3
198.02921	15.7
207.01727	19.6
219.01727	19.2
219.03542	12.2
228.04959	14.7
228.12222	9.2
228.23225	100.0
237.02780	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	227.164
Annotation	(+)-9,10-Dihydro-7-iso-jasmonic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01869	18.7
55.05508	77.2
56.96563	8.1
57.03417	2.5
57.07064	4.1
59.04984	4.7
59.52299	1.5
67.05177	2.7
67.05502	39.7
68.05816	1.8
69.03419	8.1
69.07065	19.0
69.46358	3.9
69.46780	9.1
70.06584	2.1
70.07372	3.2
71.04990	65.9
73.02898	1.8
73.06518	2.7
73.11537	1.6
79.05488	29.1
81.03363	2.3
81.07054	46.4
82.07378	1.8
83.04967	6.6
83.08614	44.3
84.08968	2.1
85.06525	11.3
87.04465	8.5
88.07604	2.2
91.05478	15.0
93.07039	28.6
95.04935	4.8
95.08592	16.3
97.06526	100.0
97.10167	56.1
98.06844	2.7
98.10504	2.6
99.08103	2.8
100.11240	5.4
105.07037	8.1
107.08588	29.7
108.08920	1.7
109.06492	4.7
109.10146	19.8
111.08059	5.8
116.98606	2.3
117.06991	6.7
119.08566	3.2
121.06484	3.7
121.10125	6.2
123.08049	3.1
125.09621	40.1
126.09975	1.9
128.06194	3.6
129.06969	3.7
131.08533	8.6
133.06474	1.6
133.10075	5.0
134.99660	3.2
135.08064	9.9
135.11674	10.3
141.06931	2.0
143.08572	3.8
145.10075	3.1
149.09558	2.3
149.13203	6.1
151.11128	2.0
153.07019	2.4
153.09065	3.8
155.08511	4.0
156.09271	2.5
157.10104	3.3
159.11667	7.9
163.11258	2.4
165.06978	5.4
166.07767	4.1
167.07047	8.1
167.08286	2.1
167.14497	1.6
171.11678	3.9
177.05318	1.9
177.12744	8.1
179.08423	2.0
181.10130	8.2
181.17746	4.4
185.09581	1.7
195.13799	46.3
199.11104	4.1
203.12764	2.8
209.09857	2.0
213.69568	1.5
227.07022	3.5
227.10710	11.2
227.16354	88.6
227.18088	5.7
228.16574	2.6
228.23174	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	2.0
55.05513	10.7
55.66840	1.6
57.03442	4.2
57.07085	8.1
59.04997	7.7
65.03945	2.4
67.05499	9.0
69.03422	10.7
69.07065	20.5
70.84429	2.8
71.04990	30.4
73.02920	3.8
74.00188	1.8
79.05489	8.5
81.07054	18.9
83.04984	11.6
83.08615	13.9
85.02916	1.7
85.06567	8.7
91.05466	8.2
93.07042	23.1
93.15380	1.7
95.04967	100.0
95.08604	17.7
97.06527	24.0
97.10189	5.5
99.04448	14.6
99.08090	40.3
100.11240	13.2
105.07022	10.9
107.08594	32.0
109.06512	15.0
109.10152	14.0
111.08047	11.4
113.06029	2.4
113.09616	3.5
115.07535	9.1
119.08568	8.2
121.06530	1.8
121.10136	27.7
123.08123	2.9
123.11685	9.2
125.09630	25.0
125.13265	2.1
127.07569	23.3
128.06213	2.9
131.08569	5.8
133.10124	36.1
135.08052	5.2
135.11720	5.3
137.09595	3.2
139.07552	2.9
139.11185	16.6
140.04680	5.2
143.08559	3.9
143.10640	4.2
145.10130	4.0
147.11679	8.1
149.09645	6.0
149.13271	15.9
151.11192	10.6
153.09108	40.5
155.07033	5.4
163.14816	5.5
166.07678	2.4
167.07069	8.3
167.14336	5.8
171.10144	14.0
173.13257	18.6
181.05000	10.2
181.10149	7.2
182.15434	2.2
191.14325	12.2
197.97783	1.7
199.11136	3.4
209.07994	3.4
209.15344	18.8
213.17836	5.3
223.84993	1.8
227.10733	7.3
227.14188	2.0
227.16345	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01622	2.3
55.01870	36.3
55.05512	14.0
56.96568	36.6
57.03423	3.2
57.07060	6.3
65.03934	1.5
67.05502	22.9
69.03414	6.7
69.07066	27.4
69.32234	7.6
69.32667	7.5
71.04982	10.5
71.08669	1.7
71.95263	1.9
73.02903	1.6
74.97641	2.0
79.05490	16.2
81.07057	20.7
83.04943	3.4
83.08604	5.5
84.96008	5.5
85.02885	1.7
85.06538	18.9
86.09686	4.3
91.05470	14.3
93.07037	28.0
95.04948	13.3
95.08606	50.2
97.06531	20.6
97.10177	2.4
98.97556	4.2
99.04439	6.6
99.08059	4.8
100.11252	8.0
102.65707	1.4
103.05463	2.5
105.07042	16.2
107.04925	2.9
107.08597	40.9
109.02257	2.3
109.02884	4.4
109.06508	15.2
109.10181	7.5
111.08067	3.4
113.06008	4.6
114.03316	2.9
116.03088	6.4
116.98597	2.8
117.06979	3.0
119.08605	7.2
121.04074	2.3
121.06523	8.0
121.10142	14.6
123.03799	14.1
123.08057	15.4
123.11701	3.2
125.05976	2.0
125.09647	4.5
127.07571	2.0
128.06203	3.9
129.06979	6.4
130.04631	8.8
131.08524	5.5
133.06523	1.8
133.10136	5.5
134.99652	1.9
135.08052	5.6
135.11687	8.0
138.67656	1.7
139.07521	2.3
139.11165	3.0
140.04630	1.7
140.35643	1.5
141.06966	2.7
142.06436	7.0
142.07684	3.0
143.05408	3.6
143.08546	9.3
145.10109	11.2
146.29918	1.5
147.11688	4.5
149.05901	1.9
149.09579	6.3
149.13194	3.7
151.07472	10.1
152.06013	1.5
153.07031	2.9
153.09050	4.6
155.05348	10.4
155.08554	6.4
155.55540	2.1
156.09341	2.9
157.10062	4.3
158.99699	2.5
162.99142	2.2
163.11165	21.6
164.05956	24.4
164.56091	2.3
165.06969	9.4
166.07771	14.1
167.07043	11.5
167.10722	7.2
168.09325	2.3
169.08600	100.0
170.07423	1.8
170.08945	2.3
171.07997	5.2
171.11670	5.4
173.06480	14.6
173.09612	2.7
173.13300	2.3
175.02780	3.9
175.56772	2.0
177.05501	3.2
179.08464	2.0
181.10103	35.5
181.12189	10.1
182.15417	2.8
182.99644	9.2
183.11670	2.1
184.08832	2.9
185.09543	2.7
185.11725	2.0
189.04419	2.0
190.60464	1.8
191.10622	7.7
191.14348	2.8
199.07454	2.3
199.11176	14.3
201.00690	19.1
207.05402	2.4
209.09793	2.9
209.11760	5.0
209.13582	1.8
209.15358	4.1
219.01755	1.6
227.06984	4.6
227.10620	34.0
227.12781	9.0
227.16441	5.0
229.07437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01874	34.8
55.05511	6.7
56.96539	1.3
57.03432	1.3
57.07066	3.8
57.16973	1.1
67.05505	10.3
67.36492	0.9
69.03419	2.9
69.07066	18.9
69.50188	8.3
71.04990	5.4
79.05498	8.7
81.07053	8.7
82.06585	1.3
83.04978	2.9
83.08606	2.9
85.06545	14.3
91.05472	4.7
91.94058	1.1
93.07040	14.6
95.04947	6.1
95.08611	26.4
97.06536	18.5
99.04465	7.4
99.08042	1.2
100.11262	9.1
105.07029	12.3
107.04965	2.1
107.08600	31.5
109.06519	12.0
109.10213	1.5
111.04430	1.6
111.08081	1.9
113.06002	5.9
114.09182	1.0
115.07593	1.3
119.08575	2.9
121.06528	6.1
121.10146	9.6
123.08075	15.0
125.06020	1.6
130.11742	0.9
131.08514	1.4
133.06549	1.6
133.10155	2.2
135.08040	1.2
135.11670	5.4
139.11163	3.3
143.08612	1.3
145.10132	8.1
147.11667	1.4
149.09607	4.0
151.07561	14.2
153.09050	1.2
155.11211	1.0
157.08530	1.1
163.11198	19.1
166.07762	1.3
167.06952	1.3
167.10649	5.0
169.08607	100.0
171.23553	1.0
181.04893	1.1
181.09969	1.2
181.12251	8.4
182.15390	1.9
183.56537	1.0
191.10582	4.8
191.14211	1.1
199.11151	2.1
199.17986	1.0
209.11694	5.4
213.17772	1.5
225.16002	1.0
227.07060	1.1
227.10643	2.9
227.12781	6.7
227.16386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.89061	1.2
53.03940	2.1
55.01858	4.7
55.05495	5.4
56.96576	1.5
57.03415	1.6
57.07067	6.1
65.03915	2.0
67.05500	28.9
69.03410	3.5
69.07066	8.2
69.58498	8.5
71.04991	19.4
79.05058	2.6
79.05489	34.1
81.03398	1.8
81.07053	8.2
82.09682	1.2
83.04966	7.1
83.08596	1.8
85.06543	100.0
86.09723	2.6
91.05477	23.5
93.07041	30.8
95.04977	8.2
95.08597	4.0
97.06539	21.2
98.97583	2.4
99.08078	6.3
100.11256	10.7
103.05434	2.1
105.07030	21.8
107.04969	15.4
107.08595	33.3
109.06522	7.1
109.10162	2.5
111.04444	11.8
117.07018	7.9
119.08578	18.4
121.06505	15.6
121.10140	23.3
123.04444	2.6
123.08044	2.3
125.05976	8.4
127.03934	2.4
128.06252	1.8
129.07002	8.2
130.07739	3.6
131.08565	71.8
133.10112	2.9
135.04424	1.7
135.08054	3.0
135.11647	5.8
137.05960	2.2
137.09602	8.5
139.07547	1.5
141.05475	1.7
143.07088	1.6
143.08559	2.2
145.06447	2.3
145.10120	28.3
147.08012	4.8
149.05954	2.9
149.09618	66.7
149.13214	1.3
151.11107	1.7
153.05434	3.7
155.07059	3.3
155.08484	1.9
157.06557	1.6
163.07516	3.2
163.11189	24.3
165.06989	4.0
165.09090	13.6
166.07724	3.1
167.07024	5.8
167.10680	37.4
171.11731	1.5
173.09613	6.6
179.10658	2.9
181.10109	5.7
185.79968	1.3
191.10667	62.6
196.04564	1.2
197.11786	1.8
199.11180	3.9
209.09729	2.6
209.11722	54.8
227.10608	7.7
227.12769	22.0
227.17545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03931	1.7
55.01873	4.2
55.05518	6.7
56.96558	5.8
57.03437	3.0
57.07070	5.8
65.03950	2.1
67.05164	2.3
67.05503	28.6
69.03429	2.2
69.07073	7.4
70.65752	4.8
71.04990	16.6
71.08682	1.2
73.02914	5.9
79.05490	31.2
81.03413	1.9
81.07066	7.2
81.07471	1.3
83.04978	7.3
83.08632	2.6
85.02890	2.0
85.06541	100.0
86.09695	4.6
91.05476	18.9
93.07036	21.3
95.04968	8.5
95.08616	1.8
97.06531	3.9
98.97588	5.6
99.08090	4.4
100.11257	7.4
103.05383	1.5
105.07024	22.4
107.04949	13.3
107.08591	29.1
109.06486	7.0
109.10164	1.4
111.04444	10.4
111.06104	1.3
116.06195	1.4
116.98631	3.6
117.07046	7.5
119.08592	16.8
121.06489	14.4
121.10138	21.0
123.04455	2.7
123.08048	2.6
125.06001	13.8
129.06982	6.9
130.07809	2.2
131.08560	64.5
133.10138	3.1
134.99629	2.4
135.08102	3.1
135.11703	5.6
137.05988	3.7
137.09572	7.3
139.07536	3.1
140.04648	6.5
145.06427	2.0
145.10123	28.4
146.99675	1.6
147.08054	6.5
147.11728	1.9
149.05981	4.1
149.09613	71.3
149.13297	1.9
151.11147	1.5
153.05460	5.0
155.07062	10.3
155.08307	2.2
155.57307	1.3
158.99680	1.7
163.07515	2.8
163.11177	23.7
165.09077	9.3
167.07043	4.6
167.08456	1.4
167.10683	32.7
173.09627	8.9
177.05447	1.6
179.10646	3.1
181.04970	9.8
181.10120	2.2
191.10666	58.7
199.02737	2.5
209.08124	2.1
209.11729	54.0
217.03899	3.2
227.08998	1.9
227.12682	15.8
227.14613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01870	4.2
55.05499	5.2
56.96548	1.7
57.03421	3.2
57.07077	6.9
60.00804	1.3
60.52043	1.3
62.30594	1.5
65.03940	4.5
67.05507	26.3
67.62067	1.2
69.03413	2.7
69.07071	8.3
70.07347	1.2
71.04598	1.7
71.04988	23.0
71.06834	3.0
71.82727	1.3
73.02910	5.2
79.05488	31.2
79.29079	1.5
81.07061	7.7
83.04975	7.7
83.08618	1.4
83.45658	1.3
85.06538	100.0
86.09703	3.8
91.05469	22.2
91.06005	1.8
93.07040	25.5
95.04965	22.8
97.06523	6.5
99.04449	1.9
99.08091	5.8
100.11211	2.1
103.05467	1.7
105.07021	22.0
107.04948	14.9
107.08593	34.2
108.93352	1.3
109.06506	6.5
109.10165	2.1
111.04457	12.4
113.89764	1.4
116.06209	2.5
116.98648	1.4
117.06998	6.7
119.08569	21.8
121.06497	16.3
121.10133	24.7
123.04440	3.4
123.08069	2.1
123.11658	1.5
125.05966	7.9
127.07528	2.3
129.06999	4.4
130.07784	1.6
131.07573	3.4
131.08560	69.9
133.10132	3.2
135.08054	3.7
135.11700	6.3
137.06062	1.6
137.09608	7.5
139.07542	1.5
140.04648	11.0
145.06479	2.8
145.10124	28.2
147.08055	5.4
147.11670	1.9
149.05956	3.0
149.09610	68.9
150.09961	1.6
153.05484	4.3
153.09108	5.5
155.07033	12.2
155.08347	2.4
163.07524	2.9
163.11160	28.1
165.09129	11.5
167.07018	8.5
167.10675	36.3
171.06609	1.4
173.09642	5.7
179.10703	2.5
181.04947	17.8
181.10138	2.4
191.10661	53.7
197.11632	1.8
209.08328	2.4
209.11710	45.9
209.15057	2.5
221.19006	1.5
227.08981	2.5
227.12746	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01874	32.4
55.05511	7.4
56.77529	1.3
56.96572	2.9
57.03453	2.3
57.07071	5.6
58.02941	1.3
65.03934	2.1
67.05502	14.7
69.03429	5.6
69.07069	20.1
69.37624	12.5
71.04995	4.8
72.63596	1.3
79.05503	12.0
81.07065	12.1
83.04971	1.8
83.08611	4.4
85.06542	17.8
86.09705	2.2
91.05462	6.9
93.07041	16.6
95.04974	5.1
95.08600	26.5
97.06532	18.0
97.10140	2.3
98.97569	2.9
99.04439	7.5
100.11259	8.2
105.07030	17.4
107.04955	1.8
107.07864	2.0
107.08593	35.4
109.06516	9.7
109.10163	2.7
110.11081	1.3
111.04465	1.6
111.08074	1.7
113.06006	4.3
114.09154	2.9
115.05482	1.9
115.90915	1.1
116.98634	3.0
117.07002	2.8
119.08543	4.1
121.06486	5.4
121.10145	10.0
123.08070	13.5
125.06019	2.3
125.09655	1.3
128.06224	4.9
129.07008	3.6
130.48700	1.2
131.08549	2.3
133.06456	1.6
134.99702	1.7
135.11699	5.7
139.11151	2.3
141.07011	2.8
142.07756	2.4
143.08545	6.3
145.06528	1.3
145.10153	8.6
147.11604	1.6
149.09598	5.7
151.07553	12.5
153.06995	4.2
155.08545	4.6
156.09273	2.7
157.06531	1.5
158.99583	1.7
163.11194	19.6
165.07002	5.6
166.07722	9.1
167.07060	5.0
167.10641	7.0
169.08601	100.0
170.08911	2.2
171.08055	3.1
171.11699	4.1
173.09663	3.0
177.00668	2.4
181.04979	1.6
181.10123	22.3
181.12114	8.9
182.15437	1.9
184.08806	1.8
191.10692	6.1
199.07503	1.4
199.11235	9.7
209.09706	3.1
209.11739	5.6
212.08327	1.8
227.07237	2.1
227.10675	21.5
227.12785	6.5
227.17986	2.0
245.48245	1.4
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	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03929	5.1
55.01851	5.8
55.05507	29.1
56.96562	14.5
57.07053	4.7
57.27581	2.7
58.42759	2.5
63.80669	2.5
67.05508	28.8
69.03398	3.9
69.07063	21.7
69.37740	24.6
71.04961	6.1
73.02877	2.7
79.05487	37.6
81.03383	5.9
81.07054	37.4
83.04952	6.8
83.08612	18.1
85.06538	3.7
86.09684	4.6
91.05479	19.2
93.07042	50.1
95.04951	12.4
95.08601	67.8
97.02843	7.9
97.06523	6.6
97.10120	5.0
98.97504	4.1
99.04409	8.4
100.11204	9.9
103.05433	3.6
105.07026	12.5
107.04965	17.2
107.07958	3.6
107.08574	37.6
109.06506	6.3
109.10092	8.3
111.04402	3.6
116.73728	2.6
116.98544	8.1
117.07024	16.6
119.08586	15.7
121.06499	3.7
121.10144	18.9
123.11694	2.6
125.05915	7.0
125.09570	4.0
128.06189	3.9
129.06979	7.3
131.08521	5.2
133.10039	10.0
134.99602	5.7
135.07962	4.3
135.11678	71.0
137.09682	2.2
139.07471	4.4
139.11111	3.1
143.08493	8.8
145.09079	2.5
145.10117	36.6
145.84135	2.8
149.13309	2.4
153.09030	2.9
153.12715	2.7
155.07072	2.8
155.08498	5.5
157.10081	7.2
160.42310	2.5
163.11169	100.0
165.06873	3.5
166.07703	5.9
167.06950	9.9
169.08641	2.8
169.10068	4.0
171.08014	3.6
171.11670	6.1
181.10123	14.5
181.12242	17.2
183.07961	3.5
185.13196	6.0
194.10738	2.9
199.07462	3.5
199.11108	5.3
209.11505	4.6
227.06955	5.5
227.10518	23.1
227.12654	98.9
227.17656	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01870	29.6
55.05511	50.9
56.96565	79.2
57.03432	13.6
57.07090	11.8
67.05500	51.1
68.99785	12.4
69.03429	15.2
69.07069	49.2
70.25059	5.6
71.04991	16.7
71.08655	10.1
71.59727	6.9
71.60090	5.3
73.02920	6.0
79.05482	44.0
81.03415	6.8
81.07047	52.4
83.04978	34.6
83.08607	54.7
85.02913	7.6
85.06539	23.8
86.09686	5.9
91.05471	66.1
93.07040	56.8
95.04960	45.3
95.08595	34.3
97.02856	6.2
97.06527	22.9
97.10173	11.4
98.97552	25.1
99.04459	20.5
99.08057	6.8
100.11245	44.6
105.07029	35.8
107.04961	15.7
107.08585	81.8
109.02944	5.6
109.06520	42.6
109.10154	30.1
111.04453	47.0
111.08073	98.4
113.06023	5.5
115.05463	10.9
116.98615	38.2
117.06998	14.4
119.03508	8.4
119.08568	13.7
121.06477	26.8
121.10120	25.9
123.04448	8.9
123.08081	7.6
123.11752	9.6
125.05978	8.3
125.09605	22.2
128.06233	16.0
129.05540	6.4
129.06976	20.7
131.04903	11.3
131.08568	19.4
133.10144	9.8
134.99657	44.4
135.08049	19.5
135.11665	19.6
137.05975	15.4
141.07021	16.7
142.07784	17.4
143.08551	39.8
145.10121	31.3
146.99634	9.4
147.11676	7.3
149.05972	17.2
149.09581	16.0
149.13214	6.5
151.07626	7.4
153.06992	16.0
153.09099	50.8
153.12773	18.9
155.07121	7.0
155.08553	21.7
156.09343	9.5
157.06508	6.0
157.10110	15.6
158.07291	6.4
158.99661	15.8
159.04446	7.5
163.11131	38.3
163.14777	6.0
165.06998	28.5
166.07787	38.1
167.07051	90.9
167.08418	7.5
167.10652	11.0
169.08618	79.1
169.09970	5.9
171.08069	21.6
171.11696	32.8
172.08604	6.2
173.09631	8.2
177.00699	20.3
177.05475	21.9
181.05002	10.7
181.10130	77.3
181.12231	22.8
183.08157	6.9
183.11652	8.3
184.08803	10.3
185.09604	9.1
185.11734	16.1
185.13264	9.5
189.00635	6.6
191.10645	19.7
195.10156	34.7
199.11116	42.3
199.14653	5.2
202.98689	5.4
209.07967	8.7
209.09772	12.1
209.11635	12.9
209.16533	9.9
227.07095	12.5
227.10689	100.0
227.12578	8.7
227.14552	27.0
227.18083	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	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
51.05979	0.4
53.03948	0.5
55.01876	3.7
55.05503	1.9
56.92364	0.4
56.96571	1.0
57.03420	0.5
65.03953	0.6
67.05498	1.2
69.03426	2.2
69.07063	0.9
69.17757	0.5
71.01529	1.2
74.83794	0.5
79.05495	5.1
80.69723	0.4
81.07052	1.7
81.51179	0.4
84.88089	0.5
86.31710	0.5
91.05481	4.3
93.07042	1.1
95.04964	2.1
95.08607	0.8
103.05460	0.9
105.07031	6.4
107.04958	3.4
115.05453	3.5
117.07027	2.9
119.04955	1.4
128.06226	11.5
129.07001	12.4
130.07776	1.2
131.08542	2.8
133.06410	0.5
133.10162	0.7
141.06982	11.3
142.07776	11.1
143.08559	20.2
145.06467	2.1
145.10130	3.6
152.06227	1.9
153.05495	1.5
153.06979	9.8
154.07732	1.9
155.04967	0.7
155.06017	0.7
155.08549	22.2
156.09346	6.8
157.06487	4.5
157.10123	8.6
158.07240	1.2
165.05553	1.0
165.06993	30.3
166.07782	42.3
167.07144	0.8
167.08528	4.5
168.09357	3.1
169.06464	2.0
169.10135	1.9
170.07291	1.0
171.08041	10.1
171.11679	13.4
173.09572	0.6
178.07996	0.6
179.08553	2.0
181.10115	99.3
182.10583	2.6
183.08037	2.0
183.11703	5.1
184.08826	4.3
185.05946	1.4
185.09647	4.6
190.09389	0.7
191.08543	0.8
194.07306	2.4
197.09555	0.7
199.07518	2.3
199.11179	40.9
200.11520	0.9
209.09575	9.0
227.10654	100.0
228.10939	2.4
245.11829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.53841	0.6
51.44284	0.5
53.03939	1.5
55.01872	3.6
55.05503	2.0
55.93510	0.6
56.96558	0.7
61.03906	0.5
67.05502	1.6
69.03439	1.4
69.07065	0.8
70.24990	0.9
70.25374	1.4
75.25299	0.5
79.05484	5.4
81.07056	2.0
83.08603	1.2
86.71085	0.5
87.41927	0.5
89.64568	0.5
91.05467	4.9
93.07039	2.0
93.98660	0.5
95.04960	2.2
96.95837	0.5
97.06516	0.6
99.04449	0.9
100.11257	1.0
103.05467	1.1
105.07027	7.1
107.04942	3.5
107.08577	1.4
109.10115	0.6
111.08070	1.8
115.05428	3.3
117.07063	2.5
119.04953	1.4
121.06511	0.9
121.10155	0.7
123.08036	0.7
125.09613	0.5
128.06213	9.7
129.07002	12.1
130.07814	0.9
131.08563	2.4
135.04407	0.5
141.06976	12.1
142.07784	9.8
143.08545	20.6
145.06473	1.8
145.10121	4.5
147.04414	0.6
148.93312	0.5
149.05951	0.6
152.06209	2.5
153.05635	0.8
153.06981	9.6
153.08948	0.8
153.90256	0.5
154.07747	1.5
155.08545	20.1
156.09331	7.7
157.06499	3.5
157.10101	6.5
158.07280	2.1
159.08035	0.8
165.05557	1.1
165.06987	29.1
166.07776	44.3
167.07043	2.6
167.08531	4.9
168.09352	3.8
169.06447	1.4
169.08722	1.1
169.10112	1.5
170.07312	1.1
171.08031	11.1
171.11674	11.9
173.09573	1.1
177.05409	1.0
178.07872	0.5
179.08583	2.9
181.10112	100.0
182.10493	3.1
183.08032	1.8
183.11684	4.1
184.08804	4.2
185.05966	1.5
185.09598	4.9
189.04286	1.0
191.08534	0.8
194.07246	3.7
195.10170	0.7
197.09523	0.6
199.07512	2.1
199.11171	37.9
200.11514	0.7
209.09599	9.5
212.08328	0.7
227.10649	98.8
228.10963	1.6
245.11815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1064
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	3.7
67.05506	0.9
69.03418	1.2
71.49139	0.8
71.49461	1.4
79.05485	5.2
81.07061	1.0
91.05495	3.6
93.07059	0.8
95.04980	2.0
100.45129	0.7
105.07040	6.9
107.04949	2.2
115.05460	4.4
117.07012	2.7
118.74458	0.7
119.04906	0.9
128.06223	10.9
129.07007	14.2
130.07869	1.1
131.08556	3.1
141.06984	13.0
142.07774	12.5
143.08548	20.3
145.06512	1.9
145.10129	4.3
152.06207	2.6
153.05626	1.1
153.06987	9.9
154.07713	1.6
155.08554	19.5
156.09366	7.2
157.06514	3.5
157.10123	8.6
158.07251	1.9
159.08038	1.3
165.07001	29.5
166.07785	43.0
167.08530	4.3
168.09332	3.3
169.06543	2.3
169.10149	1.8
170.07182	1.6
171.08049	11.6
171.11690	10.8
179.08578	1.8
181.10118	100.0
181.20642	0.7
182.10547	3.2
183.08040	2.8
183.11700	4.2
184.08829	4.2
185.05988	1.4
185.09616	4.5
191.08534	0.8
194.07301	2.3
197.09653	0.9
199.07568	1.5
199.11177	36.4
200.11551	1.4
209.09584	8.2
212.08284	0.9
227.10660	84.6
228.10950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81664	0.7
53.03937	2.6
53.86511	0.6
55.01659	0.8
55.01872	7.6
55.05506	5.4
56.96564	6.3
57.03421	1.5
57.07060	2.4
59.04975	0.8
59.34993	0.7
65.03936	7.9
67.05506	9.6
69.03427	4.9
69.07069	5.0
70.06588	1.0
71.05001	5.0
71.18341	1.4
73.02916	37.8
75.04443	0.7
78.04716	0.7
79.05492	9.7
81.03417	2.0
81.07052	9.7
82.04196	1.6
83.01440	0.6
83.04971	3.0
83.08605	3.0
84.96020	1.5
85.02917	7.1
85.06544	15.6
86.09707	6.8
91.03935	0.9
91.05486	10.5
93.03375	1.6
93.07040	8.4
95.04971	17.4
95.08612	3.5
97.02884	2.2
97.06534	6.3
97.10179	1.4
97.28236	0.6
98.97578	5.8
99.04472	1.7
99.08112	3.3
100.11249	6.5
103.05463	2.7
105.07032	7.7
107.04964	4.3
107.08598	8.7
108.02115	1.7
109.02886	1.1
109.06529	3.5
109.10152	1.9
110.03662	2.7
110.97568	0.7
111.02002	0.6
111.04449	5.1
111.08049	1.1
116.98621	6.2
117.07018	2.9
119.01893	0.7
119.04906	1.3
119.08549	3.4
121.06516	6.9
121.10147	6.2
123.04433	11.7
123.08112	0.7
124.05190	0.9
125.02354	3.0
125.06013	4.9
125.09594	4.0
127.03929	0.9
127.07552	0.8
128.06215	2.5
128.98615	2.0
129.05539	0.9
129.06979	4.3
131.04926	1.0
131.08565	14.3
133.10126	3.9
134.18073	0.6
134.99644	4.8
135.04462	0.8
135.08086	1.2
135.11684	1.2
137.05969	1.9
137.09613	1.3
138.03123	2.1
139.03822	0.6
140.04683	49.8
141.05409	0.9
141.07030	2.0
142.02597	2.4
142.07796	1.5
143.08565	4.3
145.10112	6.3
146.99641	3.0
147.04446	1.2
147.08049	1.4
148.05072	0.8
149.05983	3.6
149.09608	12.0
149.13242	1.6
152.06178	0.8
153.05444	2.0
153.06888	1.2
153.09108	2.5
155.07034	48.7
155.08482	3.6
158.99661	1.9
159.04446	1.0
160.05067	0.8
163.07535	1.0
163.11209	4.5
165.00778	0.8
165.07010	4.9
165.09114	1.6
166.06485	0.9
166.07779	7.8
167.07050	19.7
167.08414	1.3
167.10664	5.2
171.06541	7.0
171.08054	3.0
171.10243	0.7
171.11670	2.2
173.08073	4.7
173.09564	1.2
173.13240	2.6
177.00653	3.6
177.05481	4.6
179.07022	4.5
181.04958	100.0
181.08498	4.0
181.10130	13.1
182.05330	1.5
182.10558	0.9
183.84578	0.7
185.09550	0.9
189.00644	0.8
191.10672	8.7
191.14301	1.8
197.11824	0.9
199.11188	7.4
209.08095	17.5
209.09915	1.3
209.11678	9.6
209.15398	2.5
215.56180	0.6
217.12148	1.1
227.08949	10.3
227.10699	10.5
227.12788	2.0
227.16458	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
51.87275	0.6
53.03956	1.1
55.01867	5.9
55.05490	1.5
56.96552	1.5
65.03947	6.8
67.05505	4.4
69.03428	1.6
69.96663	3.3
70.38199	0.6
71.04997	1.0
73.02919	36.7
79.05480	1.6
81.03409	0.8
81.07054	0.8
82.04195	2.1
83.04942	0.7
85.02899	4.6
85.06519	1.0
91.03976	0.6
91.05476	2.2
93.03418	1.3
93.07028	1.9
95.04971	5.7
97.02876	1.9
97.06538	2.6
98.21462	0.8
98.97579	1.1
100.11254	3.1
103.05434	1.0
105.07059	0.6
107.04967	1.4
108.02106	1.7
110.03669	3.6
111.04461	3.1
116.98602	0.7
121.06481	0.9
121.10206	0.6
123.04437	9.6
125.02312	3.0
125.05964	1.9
131.08514	0.7
138.03110	2.0
140.04688	48.2
141.05101	0.7
142.02621	2.4
151.61150	0.6
153.05466	2.1
155.07031	53.1
166.06291	0.8
167.07053	6.6
171.06508	8.4
173.08084	3.6
179.07051	3.1
181.04958	100.0
181.08363	4.6
182.05301	1.4
209.08087	17.2
215.06590	0.7
227.06934	1.1
227.09084	10.5
227.17523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0817
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
55.01862	1.0
55.05521	4.7
56.96556	2.8
57.07073	1.0
61.35964	0.9
67.05499	2.6
69.03469	1.2
69.07070	5.7
70.06594	1.5
71.50703	1.4
72.93789	0.9
73.02926	0.9
76.75200	0.9
79.05485	1.5
81.07038	2.6
83.06094	1.0
83.08600	2.3
86.09697	3.2
91.05466	2.1
93.00839	0.8
93.07021	2.3
93.24972	0.9
95.04967	1.6
95.08595	1.1
96.00607	2.3
97.06525	0.9
97.10169	1.6
100.77527	0.9
109.10136	1.9
111.04443	1.3
111.05576	1.5
111.54071	0.9
115.05474	1.3
116.98594	0.9
117.05753	38.0
119.01904	0.9
125.02377	0.8
128.06226	1.2
129.07014	5.1
130.06526	46.2
134.99591	1.2
137.05928	0.9
141.05751	1.6
142.06528	1.2
143.07303	25.6
144.07974	0.9
148.07535	1.7
154.06517	12.2
156.08087	18.8
157.07614	21.3
158.06024	8.7
159.06764	1.0
166.06525	1.4
167.07109	3.1
169.05235	5.3
177.05322	1.1
181.07562	9.1
182.05949	6.2
182.08372	5.1
183.09181	9.7
185.07098	100.0
186.07378	1.7
187.06282	2.2
199.08626	1.2
200.07045	2.7
209.07045	8.3
209.70488	1.1
210.05353	2.1
227.08113	37.8
227.20033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01880	4.1
55.05519	11.8
56.96555	5.5
57.03434	4.5
57.07072	6.6
59.04994	11.1
65.03929	2.0
67.05505	27.8
68.56800	1.6
69.03442	9.0
69.07058	8.6
69.37460	12.0
69.37872	4.4
70.40688	1.5
71.05003	12.4
73.02911	4.5
75.93083	1.4
79.05490	7.8
81.03424	3.0
81.07040	15.4
83.04984	13.3
83.08640	2.8
85.02908	6.1
85.06551	9.6
91.05477	13.8
93.07048	21.1
95.04970	7.9
95.08605	100.0
97.02891	4.2
97.06531	9.8
97.10187	6.1
97.20469	1.7
98.97589	5.1
99.04467	11.9
99.08074	3.3
101.06020	3.8
105.03408	3.8
105.07023	19.0
107.04964	4.2
107.08603	28.2
108.05742	2.0
109.06509	17.0
109.10159	7.7
111.04444	2.3
111.08092	1.9
113.06006	8.6
113.09601	1.8
116.98626	5.4
119.01926	3.3
119.08579	22.2
121.06499	5.3
121.10146	17.8
123.04424	2.5
123.08064	48.3
123.11729	5.7
125.05994	8.4
125.09626	4.5
126.75549	1.7
128.98596	2.8
129.05441	2.3
129.06976	2.3
130.36690	1.5
131.04993	1.5
131.08585	5.1
133.06529	2.9
133.10110	5.8
134.99666	5.2
135.08057	2.9
135.11646	9.2
137.06007	3.4
137.09612	13.8
137.13243	2.1
139.07587	3.5
141.06979	2.0
141.09122	6.0
143.08530	2.4
145.10138	4.6
146.99771	4.0
147.08118	2.7
147.11719	11.1
149.06071	1.9
149.09615	30.4
149.13354	1.8
151.07608	8.3
151.11156	2.6
151.14838	3.0
152.08298	2.3
156.09300	2.8
157.03496	1.7
158.99681	3.0
159.11740	2.4
161.02979	3.3
161.09615	5.2
161.13229	10.2
163.11211	11.3
165.05551	2.7
165.06987	2.0
165.09122	2.7
165.12759	8.0
167.07109	2.7
167.10683	12.0
169.08601	2.4
171.11726	3.4
177.00745	3.2
177.12773	4.5
179.07072	3.5
179.10631	2.0
179.14294	6.5
180.04225	1.7
180.35527	1.9
181.08560	4.2
181.12346	2.0
189.00584	1.9
189.12769	15.4
207.06497	3.7
207.10321	1.7
207.13791	28.8
209.08212	2.1
225.07402	2.6
225.14789	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.18366	0.9
53.03909	1.2
53.53135	0.9
55.01868	2.2
55.05514	10.1
56.96550	4.1
57.03419	1.7
57.07072	7.8
59.04986	3.0
60.95844	2.1
66.14145	1.0
67.05499	7.8
69.03408	4.0
69.07066	8.7
71.01344	2.5
71.04993	37.2
71.59657	1.4
71.60029	1.1
75.91069	0.9
79.05495	8.6
81.03402	2.6
81.07056	15.7
83.04974	10.0
83.08622	10.5
85.02909	5.1
85.06545	4.0
86.09662	1.7
91.05475	9.6
93.07032	6.7
95.04949	5.2
95.08606	16.4
97.02876	1.8
97.06528	17.5
97.10152	2.0
98.97569	1.8
99.04452	100.0
99.08098	3.9
103.05450	1.4
105.03394	3.2
105.07027	7.4
107.04931	2.1
107.08591	42.0
109.06516	26.6
109.10162	5.1
111.04427	3.7
111.08062	3.6
111.11698	3.7
113.05997	1.1
113.09635	6.6
116.98595	2.7
119.01832	1.9
119.04923	1.9
119.08560	6.2
121.06479	3.5
121.10147	17.7
123.04424	2.0
123.08060	25.0
123.11707	20.0
125.05988	2.5
125.09664	8.8
127.07544	1.2
128.02327	1.5
129.07037	1.2
131.08566	2.1
133.06494	1.7
133.10124	3.5
134.99655	2.3
135.08086	1.2
135.11723	1.9
137.05956	2.1
137.09587	3.0
137.13295	5.0
139.07547	1.0
139.11154	4.0
141.06969	2.2
141.09129	1.6
141.12706	1.7
145.10130	2.1
147.04401	2.4
147.08044	1.1
147.11668	9.2
149.09607	14.7
151.07521	3.9
154.07753	1.7
159.04936	1.0
161.01102	1.1
161.09630	1.2
161.13251	2.4
163.11157	3.4
165.05524	1.0
165.06955	1.1
165.09169	1.2
165.12741	16.0
167.07082	6.9
167.10675	24.3
169.08708	1.2
169.10095	2.7
171.11714	2.5
175.03920	2.9
177.00671	2.1
179.02065	3.6
179.07082	1.4
179.14351	2.5
180.04192	1.6
182.07170	2.5
183.13812	43.5
189.12727	4.4
197.03056	1.7
197.09633	4.6
207.06570	4.0
207.13799	10.8
214.08580	2.7
225.09167	9.0
225.12785	1.3
225.14771	17.9
226.09694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.05508	3.0
57.07072	1.8
67.05495	4.7
69.03426	1.3
69.07066	2.1
69.65594	3.6
69.66012	1.7
71.04990	2.1
77.87383	0.7
79.05484	4.6
81.07058	20.6
83.04958	1.8
85.02903	100.0
85.06541	0.7
86.03245	0.8
86.56161	0.6
91.05468	3.9
93.07044	4.4
95.04977	2.2
95.08590	6.4
97.06546	1.6
98.21473	1.2
98.97643	0.9
99.04468	2.5
105.03394	0.8
105.07032	4.5
107.08611	5.9
109.06516	2.1
109.10153	10.1
111.04461	2.0
111.08122	0.7
115.05447	0.7
116.98608	0.8
117.07022	0.7
119.08572	4.9
121.06519	1.3
121.10147	10.5
123.08080	3.0
123.11705	73.1
125.05987	8.4
125.09616	1.6
131.08601	1.3
133.10161	1.1
135.13017	0.6
137.09688	1.5
139.07489	0.9
139.11194	1.4
141.05408	0.8
141.72569	0.6
143.01796	0.8
145.10147	1.6
147.08058	3.2
147.11647	4.1
149.09622	7.6
151.07518	3.0
156.09256	0.9
161.02927	1.3
161.09601	1.0
161.13264	1.5
163.11174	3.2
165.09088	1.0
165.12814	1.5
166.21910	0.6
167.10690	2.4
169.08617	0.9
169.10062	0.8
171.11682	0.7
179.14302	0.8
181.08563	2.6
181.12286	1.0
182.07475	0.6
182.80850	0.8
183.13852	0.8
189.12724	5.6
207.06476	0.8
207.10251	1.1
207.13785	15.2
225.09276	1.3
225.14864	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.91258	0.6
53.03939	1.5
55.01864	1.5
55.05499	4.2
56.96554	1.7
57.03405	0.9
57.07051	1.0
62.77961	0.7
65.03927	0.9
66.23185	0.6
67.05502	8.0
69.03418	1.8
69.07053	2.8
70.17176	1.4
70.17554	2.6
71.01289	0.9
71.04993	17.5
71.66752	0.7
72.08875	0.8
79.05486	7.5
81.07053	6.5
83.04967	2.1
83.08592	1.5
85.02880	1.0
91.05484	7.8
93.07042	17.7
95.04961	2.7
95.08617	5.5
97.06525	3.0
98.97575	3.5
99.04443	2.7
103.05489	0.9
105.03419	1.2
105.06374	1.3
105.07030	16.7
106.07824	0.9
107.08593	8.5
109.06509	4.7
109.09457	1.1
109.10161	17.0
111.08081	2.7
113.09653	0.8
116.98639	3.5
117.06976	1.7
119.04948	1.5
119.08572	16.2
121.06488	2.0
121.10138	38.4
123.08070	6.0
123.11703	1.9
130.07765	1.0
131.08559	4.5
133.06516	1.6
133.07512	0.8
133.10130	4.9
134.99661	2.1
135.08067	2.0
135.11722	3.5
137.05975	1.0
137.09616	25.6
139.07568	0.7
143.08551	2.4
143.95290	0.7
145.10110	2.8
147.08028	4.1
147.11687	11.7
149.09613	100.0
150.09993	1.3
151.07556	1.9
151.11171	1.6
156.09314	3.2
159.08072	2.4
161.09645	1.7
161.13226	9.7
163.11169	1.7
165.09091	1.3
165.12744	3.9
167.10716	0.9
168.08234	0.7
169.10165	0.9
171.11665	6.1
174.10452	3.9
177.00726	1.9
179.14371	1.3
189.12752	21.8
207.13818	8.5
225.09233	0.8
225.14789	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.30194	1.7
55.05507	8.7
57.07064	5.7
59.05004	2.9
61.02935	1.5
67.05497	7.8
69.03433	13.7
69.07056	9.1
71.01340	3.2
71.04994	37.6
71.31959	1.7
79.05489	6.1
81.03422	2.4
81.07063	15.4
83.04979	6.5
83.08631	8.8
83.09062	1.8
85.02927	2.1
85.06552	2.4
91.05486	7.7
93.07052	7.1
95.04967	3.2
95.08601	17.4
97.06526	13.4
97.10146	1.7
98.13426	1.8
98.97588	1.9
99.04453	100.0
99.08068	3.5
105.07040	15.9
106.79600	1.6
107.04923	2.0
107.08590	33.1
109.06521	26.8
109.10152	4.5
111.08077	1.9
111.11691	2.8
113.09625	3.6
118.75288	1.3
119.08566	11.7
121.06519	2.4
121.10146	20.6
123.04370	2.8
123.08055	19.6
123.11724	20.0
125.06007	2.2
125.09613	9.4
127.07533	2.6
131.08559	3.0
133.06511	3.4
133.10135	9.2
137.05966	2.5
137.09604	6.6
137.13242	5.5
139.11166	5.9
141.09087	1.5
141.12787	2.0
145.10129	1.9
146.58315	1.3
147.11719	11.9
149.09581	14.0
151.07513	2.8
151.11198	2.3
153.12767	2.4
155.10722	1.5
159.08109	1.8
161.09566	2.6
161.13261	6.7
163.11235	3.2
165.12735	12.3
167.10681	26.3
174.10440	2.9
179.14310	2.7
183.13811	41.9
189.12718	8.4
207.13782	9.3
225.09148	1.8
225.14833	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03926	1.3
55.01862	1.3
55.05505	2.5
56.96569	1.1
57.03431	0.7
57.07078	0.8
59.04992	0.9
67.05504	7.4
69.03412	2.2
69.07066	2.3
70.90829	1.3
71.04994	17.6
72.17078	0.6
76.82238	0.7
79.05491	8.1
81.07064	6.8
82.10458	0.6
83.04974	2.4
83.08602	0.9
85.02891	1.3
85.06547	1.6
91.05489	8.0
93.07045	16.4
95.04974	2.8
95.08596	5.8
97.02901	0.9
97.06512	3.8
98.97571	2.2
99.04450	7.1
103.05423	0.8
105.07027	17.0
106.07789	0.6
107.04944	0.8
107.08595	9.9
109.06522	5.1
109.10152	13.7
111.08085	1.6
115.05441	0.6
115.07621	0.8
116.98629	1.6
117.07024	0.9
119.04906	1.7
119.08585	14.6
121.06532	1.8
121.10142	38.2
123.08087	6.7
123.11706	2.3
125.05993	1.6
125.09619	1.4
128.06190	0.7
129.06992	1.0
131.08578	4.0
133.06503	1.5
133.10112	5.4
135.08069	3.0
135.11734	3.2
137.05974	0.7
137.09618	22.9
137.13243	0.7
139.07562	1.5
141.07066	0.6
143.08571	1.4
145.06525	0.6
145.10123	3.5
147.08049	3.7
147.11694	9.7
149.09619	100.0
150.09946	1.5
151.07530	1.9
151.11220	0.8
156.09315	2.5
159.08058	1.6
160.08763	1.4
161.09621	3.2
161.13257	9.6
163.11189	3.5
165.12776	4.1
167.10687	1.8
171.11708	4.9
172.11659	0.6
174.10413	4.8
177.00734	0.9
179.14323	1.2
181.12254	0.8
183.13811	2.7
189.09102	0.8
189.12738	18.7
207.13812	8.0
213.07809	1.2
225.14810	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.34604	0.7
53.03928	1.0
55.01864	1.3
55.05511	3.1
56.96547	0.9
57.03443	0.8
57.07054	1.1
58.92393	0.6
59.04994	1.0
60.95531	0.6
62.93012	0.7
67.00787	0.5
67.05498	7.1
69.03415	2.2
69.07060	2.6
71.04338	1.7
71.04988	13.1
79.05488	6.6
81.03399	0.7
81.07045	5.6
83.04970	2.9
85.02905	1.3
91.05478	7.5
93.06468	1.1
93.07040	16.3
95.04965	2.8
95.08612	5.3
95.09123	1.0
97.02863	1.0
97.06516	3.2
98.97553	1.5
99.04445	2.8
103.05475	1.2
105.06379	1.2
105.07027	16.3
106.07830	1.4
107.04971	1.1
107.08587	9.5
109.06506	5.4
109.10147	15.7
111.08083	2.0
113.09664	0.8
116.98649	0.7
117.07053	1.0
119.04921	1.5
119.07778	1.2
119.08573	13.8
120.69048	0.6
121.06516	1.9
121.10139	37.3
122.07272	1.1
123.08069	5.9
123.11718	1.9
125.05988	1.4
125.09659	1.2
128.06245	0.8
129.07016	1.3
131.08588	3.3
133.06500	1.9
133.07607	0.9
133.10121	4.4
135.08028	2.0
135.11684	3.5
137.05980	0.9
137.09613	27.2
137.13185	0.7
143.02728	0.6
143.08545	1.9
145.10107	2.6
147.08023	4.0
147.11697	10.5
149.09615	100.0
150.09978	0.8
151.07582	3.1
151.11154	1.1
156.09398	3.3
159.08046	2.2
160.08733	1.1
161.09633	2.1
161.13251	9.4
163.11229	3.7
165.09093	0.7
165.12741	3.4
167.03326	1.1
171.11693	5.3
174.10434	4.1
179.14355	1.1
189.12744	22.4
189.14427	1.4
197.09615	0.8
205.08887	1.0
207.13814	8.8
225.14833	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03941	6.3
55.01864	6.9
55.05507	42.3
56.24154	4.7
57.03434	10.5
57.07066	9.3
57.33109	4.5
59.05005	5.0
62.51038	3.9
64.49631	4.6
67.05510	27.9
69.03417	11.7
69.07053	20.0
71.04988	36.9
71.27224	8.4
79.05489	23.0
81.03423	5.3
81.07060	51.5
83.04969	28.3
83.05389	4.5
83.08620	6.4
85.02901	21.4
85.06521	7.3
91.01308	4.1
91.05470	24.4
93.07059	25.6
95.04975	15.9
95.08612	41.1
97.06538	14.4
97.31962	3.9
98.97591	4.7
99.04453	100.0
99.08089	7.4
103.05498	5.8
105.07037	30.9
107.04936	6.2
107.08593	38.9
109.06501	29.4
109.10151	43.9
111.04446	6.0
111.08080	13.4
113.39485	4.5
115.07616	4.9
116.98635	7.1
119.08580	41.2
121.06522	4.7
121.10152	48.1
123.04500	4.6
123.08073	42.9
123.11713	17.6
125.05984	17.9
125.09612	10.4
127.07549	6.5
127.11154	5.9
131.08543	6.6
133.06483	7.4
133.10110	9.7
135.11693	4.3
137.09622	33.1
137.13268	9.9
139.07504	8.1
141.07060	4.7
141.09148	12.3
143.10664	5.1
145.10130	10.7
147.08105	5.6
147.11668	32.6
149.09607	88.7
151.07550	29.9
151.11203	12.7
155.06972	4.7
161.13261	18.0
163.11142	27.3
165.09140	5.9
165.12720	14.0
171.11681	6.7
174.10332	8.0
179.07001	5.8
179.14305	8.8
181.12257	4.8
189.12746	37.8
207.13824	38.6
225.09241	4.8
225.14833	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.26170	2.3
53.03949	3.1
55.01862	3.8
55.05506	20.1
56.96558	16.8
57.03432	6.3
57.07076	6.6
59.05003	7.0
67.05510	15.3
67.88559	2.1
69.03429	11.6
69.07071	29.1
70.07384	4.2
71.01363	5.1
71.04994	50.5
71.20737	3.9
71.21088	5.1
75.84221	2.4
79.05486	14.3
81.03419	6.7
81.07055	30.4
83.04972	59.7
83.08615	15.3
84.96037	3.2
85.02916	14.1
85.06550	7.7
91.05471	26.1
93.07042	20.3
95.04964	12.1
95.08606	30.7
97.06519	23.2
97.10161	3.8
98.97579	16.1
99.04452	38.0
99.08091	34.7
105.03391	8.9
105.07025	25.3
107.04939	13.7
107.08585	40.4
109.06511	68.8
109.10144	17.8
111.04433	22.0
111.08082	6.9
113.05988	2.5
116.98615	14.0
117.07018	3.0
119.04931	7.1
119.08578	26.0
120.05619	3.1
121.06506	7.6
121.10139	46.7
123.04451	5.4
123.08067	100.0
123.11681	13.5
125.05998	8.3
125.09608	11.6
127.07561	17.5
128.06155	3.2
131.08557	8.1
133.06487	2.9
133.10132	10.8
134.99658	12.9
135.04446	3.7
135.08083	4.3
135.11717	10.5
137.06004	11.0
137.09636	18.8
137.13278	8.8
139.11201	5.7
141.06981	3.4
141.09135	4.5
141.12723	2.5
143.08603	5.0
145.10124	7.6
147.04424	10.5
147.08029	7.4
147.11705	18.8
149.01244	4.5
149.09615	50.7
151.07463	12.3
151.11153	3.6
153.05434	3.8
154.07784	4.3
155.08516	2.9
155.10663	10.2
156.09369	5.9
158.99689	5.6
159.11723	2.8
161.09627	7.3
161.13210	12.9
163.03851	2.2
163.11176	25.3
164.04675	4.0
165.05534	5.1
165.06970	3.5
165.09085	6.7
165.12747	14.8
167.07056	7.8
167.10657	14.8
169.08617	5.3
169.10104	2.9
171.11697	6.6
175.03886	3.8
175.85919	2.7
177.00731	9.2
179.07066	6.5
179.10678	4.9
179.14352	16.8
180.04230	5.4
181.12227	5.5
182.07271	3.2
183.13786	9.3
189.12766	20.0
191.02234	3.5
193.01167	2.4
193.05101	3.6
193.08569	2.8
195.06429	2.6
197.09700	6.3
207.06526	10.6
207.10085	4.3
207.13806	44.2
225.07391	3.3
225.09145	19.0
225.11211	4.2
225.14822	56.2
225.16847	3.2
225.19675	5.4
226.09740	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05514	3.8
55.17440	0.6
56.96547	1.9
59.04997	0.7
61.02929	0.9
67.05488	2.3
69.03410	1.5
69.07054	1.2
69.38275	4.9
69.38696	2.2
71.04990	35.6
72.41670	0.7
79.05498	5.0
80.06596	0.7
81.03420	1.5
81.07053	6.8
83.04981	2.5
83.08607	5.3
85.02896	2.1
85.06527	1.0
91.05498	3.3
93.07032	2.5
95.04961	2.4
95.08591	4.9
97.06526	2.1
97.10146	0.8
98.97581	5.4
99.04450	100.0
103.05466	1.5
105.07027	22.9
105.72353	0.7
107.08591	32.8
109.06512	18.3
109.10158	1.4
111.08150	0.9
113.09647	3.9
116.98615	3.1
119.08538	3.4
121.10143	8.6
123.08064	13.2
123.11697	11.8
125.05989	1.1
125.09624	6.7
131.08556	2.1
133.10098	0.9
134.99686	1.7
135.08081	0.7
137.09633	2.0
139.11171	1.9
141.12758	1.7
147.11690	4.9
149.01212	0.8
149.09608	8.0
158.99626	2.3
161.13316	0.8
162.04398	3.0
163.11229	2.3
165.09158	0.7
165.12732	8.6
167.07065	1.2
167.10672	23.1
169.10201	0.8
171.04933	6.0
177.00711	2.2
179.03879	0.8
183.04877	2.4
183.12144	1.3
183.13800	27.5
183.37279	0.7
189.12706	3.5
191.02271	1.2
192.05453	1.5
205.04416	3.6
207.13795	2.6
225.09265	1.5
225.14828	12.5
225.16829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05029	0.8
56.96563	1.5
67.05496	0.8
69.03416	0.5
71.04990	0.8
71.08629	0.5
71.13129	1.0
77.00905	0.7
79.05511	0.5
79.79987	0.4
81.07055	1.6
82.99856	0.4
83.06097	0.8
84.04488	0.8
84.96031	0.6
91.05481	0.8
93.07025	0.5
95.08605	1.6
96.95486	0.4
99.04430	0.7
101.00852	5.1
101.94546	0.4
102.00963	0.5
105.03406	1.2
105.06966	0.4
107.08598	0.9
116.98632	1.2
118.03522	1.0
119.01916	60.8
119.08584	0.4
120.02023	3.1
121.10099	0.6
123.08048	0.5
123.11694	0.5
125.06071	0.4
131.01839	0.5
133.97794	0.8
134.99768	4.0
136.04570	1.2
137.02950	38.8
137.99031	0.4
138.03072	1.6
140.98788	1.3
141.05095	0.7
142.03488	7.5
143.03629	0.5
145.48714	0.5
146.96149	0.8
148.51569	0.5
151.11273	0.6
153.00903	5.4
153.06931	0.5
154.07700	0.5
157.36604	0.5
158.06596	0.6
158.99832	3.4
159.06227	0.7
160.04536	4.5
160.05878	0.5
161.02956	2.2
161.04654	0.6
174.00838	0.5
175.02979	0.7
176.02560	0.8
176.03978	0.7
177.00948	100.0
178.01050	11.1
178.03918	0.6
178.05702	0.6
179.00641	3.4
179.03987	4.3
182.99817	1.2
183.06177	1.7
184.04509	3.3
184.06044	0.7
184.67722	0.5
193.04062	1.8
195.02020	3.5
199.50105	0.9
200.00380	0.4
200.02557	2.7
201.00822	4.0
201.02390	0.9
202.00990	0.7
202.05438	2.8
202.07323	1.0
202.09230	1.1
207.13757	0.7
217.04076	10.8
217.48656	0.5
218.03641	2.2
219.01996	86.2
219.94553	0.6
220.02098	17.9
221.01773	2.8
225.00659	3.0
225.09236	1.2
225.19620	0.7
225.96582	0.4
226.00934	0.6
237.03001	0.7
237.95474	0.6
242.03648	2.6
243.01913	9.9
244.01788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	39.5
56.96564	77.9
57.03439	36.1
58.02985	23.7
61.02921	43.4
64.27419	18.3
66.62360	16.3
69.03425	47.0
69.86026	29.0
69.86442	83.9
73.02917	34.6
83.04989	24.4
84.04507	36.8
84.08163	18.8
85.02905	47.0
86.06026	18.1
87.04467	26.4
97.02874	20.7
101.02375	51.6
113.02380	32.3
115.03951	69.2
119.01947	41.2
120.73755	17.8
122.08742	18.4
129.01849	100.0
131.01833	17.5
133.03500	19.0
133.04958	19.6
133.32143	19.7
157.01363	55.5
161.04439	72.2
162.40909	18.0
162.74512	16.6
171.01256	22.5
177.00749	23.1
189.03984	77.9
201.04259	28.2
224.04097	29.1
224.17226	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	225.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.9
65.10853	0.6
68.85364	0.7
70.25533	1.4
70.25919	1.4
79.19063	0.6
82.99882	0.7
101.00874	4.6
116.98645	1.2
119.01918	53.0
120.02032	1.4
134.99858	3.4
137.02953	27.8
140.98898	1.0
141.48689	0.6
142.03465	3.6
142.26027	0.6
153.00977	3.5
158.79274	0.6
158.99838	4.0
160.04594	2.1
161.02963	1.2
173.19704	0.6
177.00949	100.0
178.01044	7.3
179.00763	1.9
179.03976	1.7
179.95038	0.8
182.99876	1.1
183.06241	1.2
184.04492	1.2
193.04051	2.7
195.02045	2.3
200.02573	1.1
201.00826	4.5
202.05730	1.5
217.04085	9.4
218.03595	0.8
219.01991	89.2
220.02092	15.5
221.01965	1.3
225.00771	3.9
225.09238	1.4
225.14967	0.6
242.03523	2.2
243.01936	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	223.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	26.8
61.08496	5.3
62.80056	4.9
71.51144	7.5
86.09698	29.5
89.40717	4.9
90.99927	5.3
94.93009	9.9
97.02880	4.8
109.11089	5.3
127.97649	4.7
164.94377	16.3
186.94154	4.9
188.09200	6.0
193.75557	5.6
219.74733	6.6
223.97250	23.3
224.01700	100.0
224.11267	11.1
237.50519	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	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03941	3.3
55.01865	6.4
55.05508	15.0
56.96551	6.5
57.03415	6.4
57.07067	5.5
59.04977	2.0
60.20563	1.4
62.65246	1.5
65.03918	2.8
67.05503	47.5
68.29235	1.8
69.03420	2.9
69.07063	16.3
70.57689	5.4
71.04977	4.7
79.05487	26.8
81.03412	5.4
81.07057	100.0
82.07356	2.1
83.04976	12.6
83.08616	9.6
85.02891	2.5
85.06537	5.9
91.05474	19.2
93.07042	27.8
95.04984	9.9
95.08604	96.1
97.06526	8.6
97.10166	5.0
98.21370	1.9
99.04463	2.0
101.06017	1.7
105.07030	14.6
107.04954	6.2
107.08593	26.2
107.50923	1.4
109.06514	6.6
109.10154	27.0
111.08056	7.9
111.11711	3.8
115.05404	1.8
117.07027	3.7
119.08576	10.6
121.06487	6.3
121.10138	17.8
123.08059	5.4
123.11694	6.1
125.09613	5.4
127.07549	2.6
129.06996	1.7
131.08562	9.3
133.10106	6.3
135.04492	2.1
135.08034	6.5
135.11652	5.9
137.09622	2.4
139.07526	3.7
143.08604	1.9
145.10126	11.6
147.11719	13.0
149.02338	5.6
149.05946	2.1
149.09601	5.6
149.13255	4.9
153.09138	2.8
159.11674	5.3
161.13298	4.0
162.03143	2.7
163.03914	2.3
163.07512	2.1
163.11195	7.4
163.14835	9.0
165.09148	2.8
165.12718	4.8
167.05614	2.6
167.06972	1.7
167.10635	3.6
169.10425	1.6
177.00648	2.0
177.12762	4.6
177.16420	2.0
181.12164	2.1
187.11220	1.8
187.14822	11.6
190.02605	3.1
192.07791	2.1
195.11877	1.6
195.13786	2.0
205.12283	5.8
205.15906	9.9
205.19550	1.7
208.03635	2.9
223.01045	1.6
223.04189	2.9
223.06003	16.4
223.09422	2.3
223.11247	3.7
223.13220	18.7
223.15126	2.1
223.16895	48.5
223.20331	2.9
225.04276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
50.90174	0.8
53.00326	0.7
53.03952	1.8
55.01869	7.7
55.05511	16.7
56.96550	4.9
57.03431	2.3
57.07069	6.5
59.40436	0.7
65.03954	1.6
67.05505	27.5
69.03438	1.5
69.07063	9.6
70.36826	1.0
70.37178	2.4
71.04993	2.6
71.08630	98.4
77.03902	0.8
79.05491	61.1
81.03422	1.9
81.07055	36.0
83.04977	10.0
83.08621	4.3
85.02915	1.0
85.06551	2.6
85.10181	7.6
87.04446	0.7
89.06030	1.5
91.05479	17.3
93.07042	58.6
95.04975	13.8
95.08602	20.3
97.06527	12.5
97.10184	2.0
98.97613	0.9
99.04482	0.7
99.08091	100.0
103.05496	0.9
105.04517	1.0
105.07020	12.3
107.04945	3.8
107.08591	47.3
109.06514	25.6
109.10145	14.0
111.08107	5.5
113.09653	8.8
115.05500	1.2
116.98640	0.8
117.07020	8.3
117.09136	4.6
119.08570	7.2
121.06493	9.9
121.10141	24.5
122.07189	0.8
123.08047	5.1
123.11701	2.9
125.06033	0.8
125.09642	2.0
127.11206	3.2
129.07056	0.8
131.08562	14.0
133.10172	3.8
135.08051	26.7
135.11678	6.6
137.09578	3.8
139.07549	3.9
139.11186	6.7
143.08466	0.8
145.10117	10.2
147.08090	1.0
147.11687	2.0
149.02379	1.9
149.06017	1.1
149.09618	21.9
149.13248	1.0
151.11118	0.8
153.09106	7.9
155.53812	1.1
159.11670	3.8
159.71826	0.8
161.06009	1.1
161.13237	4.3
162.03111	1.3
162.04286	1.2
162.53224	0.7
163.03801	1.1
163.11182	3.9
163.14807	25.2
163.52504	1.1
164.03873	0.8
165.09084	1.0
167.03456	1.2
167.10687	2.9
167.53650	0.7
169.03426	0.8
170.53313	1.0
172.08896	0.8
174.05461	0.9
177.00766	1.4
177.12782	1.9
177.16383	7.1
179.14314	1.6
180.52936	1.1
181.12216	1.3
183.06024	0.8
184.53090	1.8
185.03372	1.6
185.53595	0.8
187.11226	1.0
187.14819	17.6
190.02710	1.2
192.04077	1.7
193.12207	1.0
194.54419	0.8
195.08012	1.1
195.17427	1.3
200.54605	0.8
201.04698	7.1
202.54288	0.9
203.54955	0.9
204.06425	1.2
204.56955	1.4
205.12108	1.7
205.15877	42.9
207.02835	1.2
208.03651	1.2
208.05774	0.8
208.55885	2.4
209.77498	0.7
212.55420	0.9
223.04080	1.5
223.05956	9.1
223.11191	2.2
223.13315	6.5
223.16914	42.4
241.15723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.83311	1.7
53.03942	3.6
55.01855	5.0
55.05307	1.8
55.05512	17.1
55.96779	1.4
56.96562	11.6
57.03419	4.7
57.07056	6.1
59.04994	3.9
61.02927	2.5
65.03916	2.3
67.05502	18.2
69.03121	1.6
69.03428	16.6
69.07069	10.1
71.01315	1.6
71.04990	9.3
71.07123	3.7
72.93777	2.5
73.02910	3.1
79.05500	16.1
80.75225	1.5
81.03426	3.4
81.07052	18.1
83.04987	26.7
83.08635	7.9
84.08132	1.9
84.96008	1.7
85.02899	14.9
85.06546	3.4
91.05488	15.9
93.07044	31.7
93.54477	1.5
95.04977	13.7
95.08610	23.1
97.02873	6.5
97.06517	8.1
98.97588	10.2
99.04419	4.9
99.08108	1.6
105.07033	20.8
106.04156	2.9
107.04960	9.7
107.08595	40.8
108.05701	4.3
109.02883	2.2
109.06531	15.0
109.07688	1.7
109.10191	9.6
110.03495	2.1
111.04417	4.7
111.08065	10.1
113.06000	1.7
116.98649	10.3
117.07016	6.3
119.01824	2.6
119.08580	20.0
121.06530	17.7
121.10137	17.5
122.64555	1.4
123.08071	100.0
123.11726	2.7
124.08457	2.2
125.05969	4.0
125.09622	10.2
127.03865	2.4
128.02295	4.7
129.06984	4.1
130.07782	2.7
131.08574	13.2
133.06514	2.6
133.10147	12.4
134.03633	2.5
134.99672	9.5
135.04407	3.7
135.08069	13.4
135.11711	26.3
137.05974	4.5
137.08852	1.3
137.09636	16.6
139.07558	10.9
139.11142	1.8
139.99319	1.4
143.08501	2.8
144.09335	5.8
145.10114	10.3
146.99657	2.8
147.08089	7.3
149.02318	5.6
149.06006	9.1
149.09651	9.3
149.13220	4.6
151.03972	1.8
151.07484	1.9
153.00645	1.8
153.05511	1.6
153.09105	3.7
158.99686	3.8
159.11703	24.2
161.01312	2.0
161.02740	1.5
161.09581	6.0
161.13229	1.8
162.03139	17.3
162.10359	1.7
163.03842	5.2
163.07518	3.6
163.11176	20.2
165.06941	1.5
165.09090	10.2
167.05724	2.8
167.07027	14.8
167.10730	2.7
169.06181	2.5
177.00685	6.8
177.05551	1.5
177.09140	3.6
177.12747	46.8
178.06689	2.9
178.08618	1.7
179.10629	1.8
180.57037	2.1
181.12279	8.6
187.11157	6.6
190.02579	16.2
190.06689	3.7
195.13628	2.0
201.00513	2.0
205.12233	27.4
207.02936	3.4
208.03705	8.5
215.27759	1.8
222.58624	1.7
223.03857	3.5
223.05980	54.5
223.09552	3.5
223.13324	37.9
223.16862	23.9
223.20482	2.2
224.06290	2.2
225.04277	5.2
227.02078	2.1
241.07425	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03927	3.2
55.01858	5.8
55.05508	14.7
56.96556	5.3
57.03428	3.7
57.07066	5.0
58.94627	1.7
59.04993	3.9
60.37999	1.4
61.45015	1.4
65.03940	3.5
67.05507	17.9
69.03428	24.9
69.07056	11.3
70.91795	4.1
71.04987	4.3
79.05488	17.1
81.03400	5.3
81.07050	27.9
83.04985	17.1
83.08632	8.8
85.02890	6.4
85.06535	4.2
87.04467	32.2
91.05472	30.1
93.07037	39.0
94.04205	1.9
95.04971	15.5
95.08606	17.2
97.02876	4.4
97.06515	6.5
98.97570	6.1
99.04458	2.9
101.02348	4.2
101.05992	1.8
103.05478	3.0
105.07030	17.4
107.04964	12.6
107.08586	25.2
109.06511	55.5
109.10169	11.6
110.07280	1.7
111.04447	4.6
111.08071	11.4
111.11546	1.3
113.35242	1.3
115.05518	2.6
116.98621	3.8
117.07012	8.1
119.06002	2.5
119.08582	18.8
121.06497	57.1
121.10139	19.5
122.07302	7.8
123.08060	23.3
123.11699	5.2
125.05999	4.7
125.09615	6.8
129.07010	3.5
131.04959	2.3
131.08571	9.1
133.06509	3.5
133.10129	7.1
134.99680	2.4
135.04379	2.4
135.08043	10.4
135.11700	14.0
137.05969	4.3
137.09615	100.0
138.09927	1.5
139.07532	8.3
143.08571	1.9
144.09351	4.4
145.06499	2.5
145.10158	11.8
147.08052	10.0
147.11641	2.6
149.01256	1.9
149.02361	5.7
149.05952	9.9
149.09602	13.0
149.13286	2.8
153.05464	2.1
153.09106	3.6
156.03590	2.6
157.10172	1.9
158.99663	2.0
159.11685	14.4
161.09613	3.0
161.13277	2.7
162.03143	3.1
163.03934	2.5
163.07629	3.6
163.11191	22.8
163.14793	2.1
165.06989	3.0
165.09138	10.0
167.05717	2.5
167.07045	7.4
175.11163	3.3
177.00693	1.8
177.08987	2.4
177.12733	19.4
179.10646	2.1
181.08595	2.6
181.12227	6.5
185.02956	1.7
187.11183	8.1
187.14853	2.3
190.02599	2.7
195.06557	2.1
205.08693	1.5
205.12242	17.6
205.15921	2.2
208.03618	2.2
214.08592	3.1
214.58879	2.1
223.05907	11.1
223.09468	4.5
223.11209	2.2
223.13287	42.4
223.16733	15.7
223.20502	1.9
225.04356	3.0
227.02101	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.04902	2.3
55.05499	16.2
56.96553	5.3
57.07067	4.1
67.05481	8.9
69.03436	6.1
69.07049	7.3
71.04977	9.8
71.59703	4.5
75.56306	2.4
79.05486	15.2
81.03400	2.9
81.07040	14.8
83.04994	15.8
83.08617	63.9
85.02881	8.1
85.06528	6.9
91.05477	17.7
93.07019	17.5
95.04942	6.5
95.08601	18.1
97.02880	32.7
97.06528	7.5
99.04444	10.7
99.08089	4.0
105.07019	19.6
107.04935	3.3
107.08595	100.0
109.06541	12.4
109.10145	11.0
111.08061	5.1
117.07021	6.8
119.01917	4.3
119.08571	34.6
121.06541	6.3
121.09309	3.3
121.10142	40.1
123.08058	15.1
125.09628	72.9
129.07024	4.6
131.08553	7.2
133.10179	3.1
135.08070	5.2
135.11676	23.4
137.09566	12.7
139.07559	7.1
143.08546	2.9
145.10135	18.9
147.08034	23.6
147.11736	4.2
149.05913	2.7
149.09587	5.6
149.13318	3.4
153.09070	3.5
153.12738	7.8
159.11682	32.6
161.09564	3.4
163.11163	64.1
165.09114	22.4
177.12703	12.3
181.10437	3.2
181.12238	51.2
187.11183	10.0
205.12260	34.6
223.05927	3.3
223.13272	49.0
223.16701	12.1
223.20622	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	4.6
55.05507	17.6
55.70078	2.5
56.96555	5.6
57.07069	3.1
59.04984	2.6
67.05487	9.1
69.03436	11.5
69.07052	3.5
69.49951	5.5
69.50359	14.9
71.04986	8.4
79.05492	14.8
81.07038	15.7
83.04976	21.1
83.08137	4.0
83.08614	55.8
83.69000	2.2
84.60867	2.0
85.02902	6.4
85.06551	2.8
91.05482	16.6
93.07047	15.7
95.04972	7.9
95.08611	16.7
97.02885	32.0
97.06529	6.5
98.97559	4.7
99.04446	9.8
105.07019	23.7
107.04956	5.3
107.07857	5.5
107.08588	100.0
109.06511	7.3
109.10145	9.6
111.04457	4.6
111.08070	10.2
113.06024	4.4
116.98602	4.9
117.07007	5.2
119.08560	36.1
121.06498	8.5
121.10124	38.3
123.08061	17.8
125.05981	8.2
125.09613	61.1
127.03876	2.4
129.07004	2.8
131.08533	3.5
133.10080	4.0
134.99692	3.5
135.04497	2.7
135.08046	4.6
135.11717	17.6
137.05899	5.9
137.09634	7.8
139.07527	7.8
139.11124	2.3
144.09338	5.4
145.10129	16.8
147.08052	21.0
149.02327	4.8
149.05983	3.7
149.09602	3.7
149.13104	3.0
153.12744	6.2
159.11705	31.1
161.09641	2.4
161.26051	2.3
163.07576	3.9
163.11177	59.9
165.09094	17.3
165.54700	2.3
167.07042	4.8
177.12718	13.6
181.12224	38.6
187.11174	9.0
205.12225	31.1
223.06009	4.6
223.09674	11.4
223.13248	38.4
223.16771	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	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91806	0.6
53.03942	1.4
55.05512	67.8
56.50158	0.5
56.96550	1.5
58.99593	4.0
60.68327	0.5
70.84974	1.6
70.85316	0.6
76.02231	1.9
83.08619	100.0
85.02918	0.8
86.99040	5.4
87.67847	0.6
94.41470	0.5
95.08658	0.7
98.97592	1.5
101.02339	0.7
101.09657	16.7
105.00089	9.1
116.98649	1.1
120.08078	3.4
122.02751	2.1
126.02317	0.7
130.06522	28.5
131.06886	0.8
132.04440	4.1
148.07553	7.2
148.08557	0.8
152.06079	0.6
158.06033	8.7
159.93367	0.6
176.05515	1.2
176.07066	25.9
186.53429	0.6
187.07957	0.6
205.08928	13.6
205.12091	0.7
222.07756	1.3
222.11792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.05506	3.3
56.96556	6.8
57.07071	3.7
59.04994	2.2
65.03931	3.4
67.05499	6.3
68.99794	2.0
69.03423	2.9
69.07066	5.9
71.59718	2.2
74.75620	1.4
75.86018	1.6
76.47959	1.5
79.05502	13.2
81.03423	6.7
81.07066	9.5
83.04978	4.6
83.08604	2.4
91.05461	6.3
93.07045	9.0
95.04966	8.1
95.08592	10.0
97.02905	1.9
97.06552	4.8
103.05473	9.2
105.07018	19.0
107.04996	7.7
107.08591	7.3
109.02872	10.0
109.06521	6.5
109.10143	3.8
111.08089	4.8
115.05441	4.5
117.06998	4.2
118.04205	4.0
119.04967	1.7
119.08553	5.7
120.05733	2.2
121.06532	5.4
121.10158	3.5
123.08115	3.0
125.05974	3.1
131.08580	5.1
133.06509	14.9
134.07011	1.5
134.99640	2.2
135.04405	4.9
135.08066	10.0
135.11700	4.1
137.02335	3.4
137.06010	9.8
143.51691	1.5
145.10182	2.7
147.04422	3.1
149.02382	4.5
149.05975	3.4
150.06792	9.0
159.11700	3.7
161.05956	2.4
161.98366	1.6
162.06732	3.9
163.03903	6.7
163.07590	3.5
163.11143	3.3
165.05545	4.6
165.07010	4.0
165.07637	1.9
165.09117	40.4
166.07816	2.9
167.02045	1.9
167.03404	53.8
167.05621	2.2
167.08574	2.0
177.00726	2.8
177.05536	2.6
177.12758	2.4
178.05940	2.1
179.08586	4.7
180.04202	5.9
181.10159	5.4
182.05757	100.0
187.11078	2.2
193.04987	7.0
193.08600	16.3
193.10170	12.2
194.11011	1.9
194.94695	2.4
195.06557	27.2
195.10179	6.8
195.11742	2.9
205.12285	4.1
205.15590	1.6
208.07309	24.2
208.12466	10.7
223.06154	10.9
223.09589	47.2
223.13231	6.2
223.14842	15.5
223.16968	8.2
223.20496	2.4
225.04329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05497	0.4
56.96557	1.6
57.23400	0.3
59.06123	0.6
59.53233	0.3
60.04532	0.4
67.05499	0.8
69.03419	0.8
69.07020	0.3
70.06611	0.6
71.10854	0.6
71.11192	0.6
72.37585	0.3
73.02914	0.4
74.06059	0.3
79.05486	1.0
81.03407	0.4
81.07031	0.8
82.28561	0.3
82.41457	0.3
83.04977	0.3
84.08141	0.6
85.02898	1.0
91.05481	1.3
93.03311	0.3
93.07052	1.1
95.04968	1.3
95.08604	0.7
96.05267	0.4
97.02910	0.8
98.07235	0.4
98.97563	1.8
103.05470	1.4
104.05003	0.3
105.07024	1.0
106.06557	0.8
107.04934	0.8
107.08602	0.7
109.02827	0.4
109.06505	0.3
109.07614	0.5
110.06094	0.3
111.04485	0.3
111.08086	0.3
115.05450	1.1
116.98624	1.7
117.07023	0.7
118.06542	0.9
119.08580	0.4
120.08104	11.8
121.06503	0.8
121.10135	0.4
123.08076	0.4
128.04933	0.3
128.98619	0.4
130.06520	100.0
131.04964	0.7
131.06892	1.6
132.04445	19.1
133.06497	0.5
134.06010	0.7
134.99687	1.8
136.07516	0.3
137.05904	0.3
137.09695	0.3
145.06511	1.2
146.05974	0.7
147.04396	0.4
148.07565	29.2
149.06007	0.5
149.07979	0.5
149.09605	0.4
151.07457	0.3
153.00600	0.4
158.06007	31.8
158.99687	0.5
159.06491	0.4
162.05487	1.1
163.03868	0.4
163.07487	0.6
176.07060	88.7
177.00717	1.1
177.07376	1.6
177.08835	0.5
178.06117	0.3
178.09509	1.6
180.06517	0.5
181.12170	0.3
190.08755	0.4
199.06041	0.3
204.06566	2.1
205.04921	0.5
205.08662	0.9
222.07617	6.0
222.11266	4.7
222.15074	0.5
223.02419	0.5
223.05965	0.7
223.13379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72704	1.2
55.32010	1.2
60.08144	3.9
70.86268	2.9
74.06060	4.1
86.09708	18.4
104.10049	1.9
104.10743	37.6
105.11055	18.4
132.33957	1.2
162.94576	17.0
162.95728	1.5
204.08611	3.2
222.01956	100.0
234.66479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
55.05500	4.1
56.96563	57.1
57.03440	33.7
60.08157	18.5
61.02925	93.8
63.41203	3.7
64.94500	3.0
67.05492	6.2
69.03420	16.7
70.06586	4.2
70.50552	8.3
70.98118	3.2
71.04984	5.6
73.02914	26.2
74.97607	3.7
81.03393	5.7
81.07056	4.3
83.00789	4.8
83.04977	3.7
84.04520	5.1
84.96039	7.0
85.02908	44.8
86.03245	3.9
86.09687	14.6
88.99133	5.4
89.00770	6.5
90.01572	6.1
92.01308	7.1
95.00746	4.1
95.08587	4.3
96.01551	3.9
97.02871	13.8
97.38793	3.0
98.01281	10.4
98.97586	52.7
99.02099	4.1
99.04443	5.4
101.00758	4.1
103.03948	3.5
104.01286	7.5
105.02090	3.9
107.01839	4.6
109.02856	3.9
110.01286	14.9
113.02415	5.6
116.98603	45.3
118.01041	5.6
119.01796	47.1
124.95547	4.1
125.01802	4.0
127.03916	12.4
128.02316	100.0
128.98624	14.6
130.06526	6.5
133.01512	6.8
134.99655	28.8
135.03166	4.8
137.02835	52.0
139.53127	9.1
140.98555	4.1
141.01202	6.0
142.96545	4.0
143.00174	4.9
146.02255	4.8
146.99622	29.0
148.02065	3.9
148.53630	4.6
149.01190	4.2
150.01797	5.6
152.02258	4.1
156.97414	7.8
158.99661	9.9
160.02037	5.5
160.97588	10.8
161.01189	6.4
162.01781	29.4
162.94617	12.7
162.99211	4.6
165.00687	17.2
168.01765	9.5
169.02605	9.4
170.99651	6.6
171.02295	8.8
173.01248	5.8
174.01826	6.6
174.98672	14.7
176.07100	3.9
177.00717	15.1
177.02325	11.9
178.03076	5.9
183.02393	21.1
183.52596	3.7
184.97447	4.2
186.99197	11.4
188.97096	8.5
189.00757	24.3
192.02794	19.1
193.00226	12.9
201.00656	12.4
202.98674	13.3
204.02892	8.9
205.00182	5.5
206.98085	14.5
206.99873	3.8
207.01758	12.5
213.03432	12.4
217.00198	27.9
219.01785	14.6
220.99731	7.5
222.01991	64.7
222.04089	9.7
222.07741	3.9
225.04025	4.2
230.98177	8.2
235.01257	15.4
237.02823	14.4
244.99786	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	221.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01865	1.9
55.05511	15.3
56.96559	5.6
57.03423	1.1
57.07074	6.3
59.04985	1.2
65.03925	1.9
67.05503	21.1
69.03417	2.0
69.07069	12.7
71.04993	20.3
71.08622	1.9
73.06550	1.4
79.05049	2.0
79.05492	24.9
81.03408	2.6
81.07055	67.6
83.04986	3.8
83.08619	6.9
85.02924	1.4
85.06534	3.5
89.03292	0.9
91.05470	18.8
93.07042	48.8
95.04975	4.2
95.08603	40.7
96.76137	1.0
97.02911	1.3
97.06532	5.8
97.10182	3.2
98.97633	1.3
99.08104	6.3
103.05496	2.2
105.03378	1.3
105.07025	38.2
107.04977	3.0
107.08591	60.5
108.08979	1.4
108.72556	1.0
109.02913	1.1
109.06519	7.8
109.10152	27.0
111.04475	1.0
111.08067	5.4
111.11732	1.7
113.09629	1.7
115.05441	1.6
116.98606	1.9
117.07018	3.3
119.04994	1.2
119.08577	51.0
121.06523	3.9
121.09296	1.7
121.10140	13.4
123.08074	11.7
123.10826	1.5
123.11697	18.3
125.09562	2.0
127.11189	4.5
128.06204	1.1
129.07014	2.0
130.06566	2.0
131.04909	1.7
131.08641	1.4
133.06496	4.0
133.10132	30.7
134.99675	2.1
135.04398	1.2
135.08057	2.6
135.11687	100.0
137.05989	3.3
137.09622	7.5
137.13266	3.6
139.07536	1.1
143.08577	3.7
145.10139	4.3
146.99719	1.2
147.04449	1.5
147.08054	2.2
147.11688	29.2
149.06056	1.8
149.11110	1.0
149.13240	8.1
151.03915	3.7
151.07535	2.4
151.11139	4.7
153.09178	1.7
157.10165	2.3
158.06012	1.8
159.11713	3.8
160.05199	1.2
160.12505	1.2
161.06003	3.7
161.09595	4.0
161.13258	22.0
161.14600	1.4
163.07607	2.1
163.14833	3.3
165.05516	1.1
165.09157	1.8
165.12772	2.8
175.02768	2.4
175.07562	3.7
175.08855	1.6
175.11180	2.8
175.14772	5.6
177.09055	1.5
177.16440	2.1
179.10715	2.4
185.13248	3.7
189.05478	2.0
193.03766	1.6
193.08626	2.0
193.15878	24.2
195.37325	1.1
203.06989	1.3
203.10652	5.0
203.14281	6.1
203.17972	37.5
206.05669	1.1
206.16231	1.9
221.04451	2.8
221.08041	3.2
221.11798	5.7
221.15527	16.5
221.19031	46.2
222.19350	1.2
229.60632	1.3
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
50.43239	1.0
50.62361	1.2
53.00290	1.9
53.03929	2.1
55.01870	1.9
55.05508	14.5
56.96566	13.2
57.07068	3.9
59.05002	2.0
67.05499	13.9
69.03417	2.7
69.07060	16.2
70.12228	2.5
70.12632	2.9
71.04991	22.7
73.02892	1.2
79.05486	19.9
81.07054	82.4
82.07370	1.3
83.04984	4.8
83.08608	6.4
85.06535	4.8
91.05469	18.2
93.07037	52.3
95.04964	7.2
95.08601	39.6
96.46228	1.2
97.06524	5.2
97.10164	3.6
99.08089	4.6
100.39585	1.1
105.07026	40.1
107.04966	2.1
107.08588	64.9
108.08916	1.5
109.06515	6.0
109.10150	24.1
111.08073	5.0
113.09638	1.8
116.98670	1.9
117.07047	3.2
119.08578	51.1
121.06518	2.8
121.10130	13.0
123.08048	5.6
123.11703	17.5
124.76051	1.2
125.09615	2.3
127.07542	1.1
127.11181	5.6
129.07050	1.6
131.08578	4.1
133.06516	2.3
133.10120	28.1
133.11067	2.5
134.99663	3.7
135.04393	1.2
135.08072	2.9
135.11685	100.0
137.05972	3.5
137.09592	5.7
137.13257	2.8
139.11194	1.7
141.17879	1.0
143.08559	2.5
145.10150	3.7
147.08055	3.3
147.11674	22.5
149.09598	1.5
149.13235	10.3
151.11177	4.3
157.10156	1.4
159.11710	3.6
161.02957	2.2
161.06064	1.7
161.09654	4.1
161.11139	1.2
161.13248	17.0
163.11221	2.2
163.14832	5.6
165.09111	2.1
165.12810	2.2
175.02803	5.0
175.11223	2.9
175.14839	6.8
177.16422	1.7
179.10696	2.0
179.14355	2.0
182.11467	3.5
185.13324	3.4
192.94931	1.4
193.03853	3.7
193.08659	2.0
193.15968	1.6
202.17151	1.4
203.10641	2.0
203.14352	5.6
203.17947	35.6
206.10831	1.4
206.16368	1.5
221.04486	1.6
221.08049	2.2
221.11708	5.6
221.15456	16.4
221.19031	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01862	2.3
55.05514	13.1
56.81456	2.7
57.07062	3.0
67.05508	13.8
69.07070	11.1
71.04988	24.2
71.60011	4.1
77.65689	1.8
77.93815	2.2
79.05486	17.1
81.07059	60.7
83.04967	2.1
83.08601	4.3
85.06528	3.2
91.05486	13.7
93.07037	42.2
95.04977	4.0
95.08606	29.0
97.06527	3.0
97.10162	2.8
99.08064	2.6
105.07033	23.6
107.08590	56.4
109.06516	2.2
109.10152	21.9
111.08055	4.8
111.11568	2.5
112.55479	2.0
113.09663	3.1
119.08572	45.6
119.09351	4.0
121.10144	10.3
123.08047	5.6
123.11708	14.4
127.11201	4.6
131.08530	2.1
133.10138	24.1
135.11693	100.0
137.09616	5.5
145.10124	2.5
147.11713	20.3
149.13263	7.3
151.11232	3.7
161.13255	13.5
163.14819	3.7
165.07022	3.3
175.14743	4.9
177.16321	2.5
193.15912	4.5
203.17949	33.5
205.43277	2.0
221.11742	2.2
221.15346	8.4
221.19020	45.5
221.22108	5.3
237.66255	2.0
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
53.03928	1.3
55.01856	1.6
55.05506	10.4
56.96558	2.5
57.03424	2.0
57.07058	2.2
59.04987	1.5
65.03896	1.1
67.05508	10.3
69.07069	10.1
70.74273	2.6
71.04992	18.8
79.05483	18.6
81.07053	50.3
82.07391	1.3
83.04958	2.4
83.08609	4.7
85.06526	1.7
87.32816	1.1
91.05482	12.6
93.06463	2.0
93.07041	36.7
95.04953	3.5
95.08041	2.0
95.08605	27.6
97.06511	2.8
97.10169	1.7
98.20814	1.4
98.97595	5.3
99.08076	3.8
105.06377	1.7
105.07034	21.4
107.08593	58.7
109.06493	4.2
109.10155	21.4
111.08047	3.3
113.09632	1.2
116.98624	3.9
117.07053	2.3
119.08575	33.9
120.79184	1.3
121.06535	1.8
121.10127	6.9
123.08061	4.0
123.11707	16.6
125.09628	1.7
127.11163	3.1
131.08554	2.6
133.10126	23.1
134.99655	1.7
135.08058	1.8
135.11693	100.0
136.12032	1.7
137.05936	1.5
137.09613	4.4
137.13229	3.8
139.11133	1.7
143.08575	1.3
145.10085	3.4
147.11690	18.2
149.13298	5.7
151.11163	3.6
158.99721	2.1
159.11723	2.7
161.06023	1.4
161.09622	1.6
161.13272	13.1
163.11214	1.2
163.14796	4.7
165.12691	1.8
167.61787	1.3
169.24921	1.2
175.14804	3.7
177.00700	1.5
177.16446	2.7
203.14287	3.4
203.17941	30.2
221.11554	1.6
221.15717	5.3
221.19009	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	2.6
55.01865	1.9
55.05511	15.3
56.96559	5.6
57.03423	1.1
57.07074	6.3
59.04985	1.2
65.03925	1.9
67.05503	21.1
69.03417	2.0
69.07069	12.7
71.04993	20.3
71.08622	1.9
73.06550	1.4
79.05049	2.0
79.05492	24.9
81.03408	2.6
81.07055	67.6
83.04986	3.8
83.08619	6.9
85.02924	1.4
85.06534	3.5
89.03292	0.9
91.05470	18.8
93.07042	48.8
95.04975	4.2
95.08603	40.7
96.76137	1.0
97.02911	1.3
97.06532	5.8
97.10182	3.2
98.97633	1.3
99.08104	6.3
103.05496	2.2
105.03378	1.3
105.07025	38.2
107.04977	3.0
107.08591	60.5
108.08979	1.4
108.72556	1.0
109.02913	1.1
109.06519	7.8
109.10152	27.0
111.04475	1.0
111.08067	5.4
111.11732	1.7
113.09629	1.7
115.05441	1.6
116.98606	1.9
117.07018	3.3
119.04994	1.2
119.08577	51.0
121.06523	3.9
121.09296	1.7
121.10140	13.4
123.08074	11.7
123.10826	1.5
123.11697	18.3
125.09562	2.0
127.11189	4.5
128.06204	1.1
129.07014	2.0
130.06566	2.0
131.04909	1.7
131.08641	1.4
133.06496	4.0
133.10132	30.7
134.99675	2.1
135.04398	1.2
135.08057	2.6
135.11687	100.0
137.05989	3.3
137.09622	7.5
137.13266	3.6
139.07536	1.1
143.08577	3.7
145.10139	4.3
146.99719	1.2
147.04449	1.5
147.08054	2.2
147.11688	29.2
149.06056	1.8
149.11110	1.0
149.13240	8.1
151.03915	3.7
151.07535	2.4
151.11139	4.7
153.09178	1.7
157.10165	2.3
158.06012	1.8
159.11713	3.8
160.05199	1.2
160.12505	1.2
161.06003	3.7
161.09595	4.0
161.13258	22.0
161.14600	1.4
163.07607	2.1
163.14833	3.3
165.05516	1.1
165.09157	1.8
165.12772	2.8
175.02768	2.4
175.07562	3.7
175.08855	1.6
175.11180	2.8
175.14772	5.6
177.09055	1.5
177.16440	2.1
179.10715	2.4
185.13248	3.7
189.05478	2.0
193.03766	1.6
193.08626	2.0
193.15878	24.2
195.37325	1.1
203.06989	1.3
203.10652	5.0
203.14281	6.1
203.17972	37.5
206.05669	1.1
206.16231	1.9
221.04451	2.8
221.08041	3.2
221.11798	5.7
221.15527	16.5
221.19031	46.2
222.19350	1.2
229.60632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02372	1.6
53.03949	6.3
53.14441	0.9
54.31044	1.1
55.01867	2.5
55.05262	1.1
55.05511	11.9
56.96565	10.0
57.07066	1.5
60.84731	0.9
65.03938	2.5
67.05503	17.4
69.07069	12.5
70.23055	0.9
71.04988	3.8
71.41814	1.4
73.06545	1.9
76.16022	1.1
77.03937	1.0
79.05489	66.3
80.01971	1.0
81.03411	1.2
81.07053	39.0
83.04967	2.5
83.08627	5.4
85.06536	5.3
86.01181	1.1
87.04443	1.0
88.58389	0.9
91.05481	46.1
93.07042	100.0
94.07378	1.0
95.04969	12.4
95.08607	21.0
97.06559	2.4
97.10139	1.1
103.05419	1.7
105.04514	1.6
105.07033	36.8
105.07754	1.9
107.08590	70.7
109.06511	7.3
109.10157	5.8
111.08060	1.9
116.98658	2.9
117.07042	6.5
117.24736	1.3
119.08584	37.8
121.06496	4.3
121.10138	19.2
123.08064	5.5
123.11685	1.4
127.07500	2.0
128.06227	1.6
129.07010	2.6
130.69485	1.1
131.08551	7.1
133.06534	1.2
133.09216	1.5
133.10132	12.8
134.99640	2.5
135.08067	3.4
135.11679	2.5
137.05980	1.3
137.09630	1.5
142.07793	1.5
143.08540	6.9
145.10138	2.2
147.04457	1.3
147.08046	3.9
147.11726	5.8
153.00726	1.2
157.10132	5.7
159.11687	7.4
161.09621	6.0
161.13246	34.0
163.14893	1.7
165.09146	2.2
175.02748	4.1
175.11183	6.4
175.14825	7.1
178.07825	1.2
179.10609	1.4
185.13269	17.5
193.03867	5.4
199.06444	1.9
203.14302	12.4
203.17998	2.4
217.07559	2.0
221.07892	1.2
221.11833	2.0
221.15363	28.5
221.17758	1.7
221.18826	3.2
222.18639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03946	6.4
55.01868	5.0
55.05510	15.7
55.23395	3.2
56.36494	2.8
56.96573	25.9
57.07051	3.6
65.98363	2.9
67.05500	41.2
69.03398	3.7
69.07063	23.3
71.04994	15.3
71.60560	4.8
74.21381	2.9
79.05065	4.0
79.05495	67.3
81.03410	5.6
81.07058	68.2
83.04971	12.4
83.08626	9.4
85.02898	10.6
85.06534	7.8
91.05479	53.3
91.81129	3.0
93.07047	97.6
95.04970	81.6
95.08604	39.5
97.06528	25.3
97.10152	3.5
98.97558	6.4
102.57333	3.0
102.80725	3.3
105.07028	57.9
107.04936	24.5
107.08596	60.5
109.06530	21.8
109.10149	11.7
111.04434	12.8
111.08076	6.8
116.98612	10.2
117.07011	12.2
119.08586	45.6
121.06484	12.2
121.10135	26.3
123.08073	6.6
123.11716	4.0
129.05579	3.5
129.06996	9.5
131.08560	9.5
133.06499	10.6
133.10121	22.0
134.99672	15.7
135.08047	5.6
135.11707	4.7
136.08856	4.0
137.05960	4.8
137.09593	6.5
139.07509	3.5
143.08560	10.2
145.10106	9.8
147.08072	7.7
147.11664	7.7
151.11148	3.5
154.65320	2.9
157.10114	5.3
159.11703	8.5
161.09616	12.8
161.13275	34.0
163.07417	3.6
163.11151	13.5
165.09152	4.5
174.93846	6.0
175.02774	5.6
175.11217	6.7
175.14806	12.0
179.10664	8.1
179.14281	16.6
185.13318	17.0
192.94933	12.3
193.03802	4.8
197.99063	3.3
203.14334	19.0
205.14920	5.2
206.11041	6.0
206.16161	3.8
215.96378	4.1
216.99779	3.3
217.07507	5.1
221.04390	6.6
221.11688	6.8
221.13441	5.2
221.15359	100.0
221.18031	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	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.02348	0.5
55.05474	0.8
56.96535	1.7
57.07050	0.9
61.25041	0.4
64.90150	0.5
67.05508	1.0
69.03407	0.7
69.07053	1.1
70.06553	0.8
70.87768	0.9
70.88132	1.2
73.02899	0.5
79.05485	0.7
81.07024	1.7
82.02910	2.2
83.04937	0.6
83.08562	0.7
91.05457	2.0
93.07053	0.6
94.06573	4.0
95.08591	1.2
97.02867	1.3
98.97573	0.9
103.05427	0.6
104.04949	0.8
105.07022	1.4
107.08587	1.3
109.10129	1.3
111.08073	1.4
115.05479	2.5
116.07052	0.9
116.98614	0.9
117.05801	0.7
119.08586	1.5
120.08083	1.3
121.06490	0.9
123.11678	0.6
128.06242	0.8
129.06996	2.1
130.06526	64.4
131.04938	0.8
131.06871	0.7
132.04449	43.3
133.04822	0.7
133.06487	1.0
133.10118	1.0
134.06032	3.4
134.06943	0.6
134.99646	0.7
135.08102	1.2
137.05986	1.1
137.09610	0.7
137.16519	0.5
146.06026	1.7
147.06258	1.0
147.08099	0.5
147.09169	0.8
147.11710	0.6
148.06531	0.7
148.07507	2.7
157.06516	1.2
157.07614	25.3
158.06010	88.2
159.06396	1.6
160.07567	1.4
162.05501	6.2
175.08672	100.0
176.07129	2.3
176.08986	1.7
177.00645	0.5
179.05412	0.5
179.10678	0.9
182.26598	0.4
185.05904	0.8
186.05472	4.2
193.15936	0.9
203.07074	1.8
204.06535	10.1
206.16284	0.6
221.04453	0.7
221.09244	21.3
221.11461	0.8
221.15392	1.4
221.18568	0.5
222.09633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.81836	0.6
53.03928	0.7
55.01841	0.5
55.05474	0.5
56.05007	0.6
56.96539	1.8
57.03416	0.8
57.35954	0.5
67.05458	0.9
70.02948	0.5
70.06575	0.7
70.30370	2.5
73.02905	1.3
74.02424	1.0
79.89618	0.5
81.07025	1.4
82.02920	2.2
84.04475	0.7
85.02882	1.6
85.06540	0.7
90.05550	3.8
91.05386	0.8
91.05904	1.2
94.06570	3.8
95.04913	0.8
95.08591	1.0
98.21423	0.6
98.97562	1.3
109.06478	0.7
109.10112	0.6
111.08073	0.8
115.05426	1.0
116.98605	0.9
119.01816	0.6
119.08588	0.8
120.08050	0.8
121.06452	0.9
124.60570	0.5
125.07958	0.7
129.04048	0.6
130.06526	66.7
131.04912	0.6
131.06822	0.5
132.04454	40.6
137.06056	1.1
145.69873	0.6
147.09105	1.0
148.07581	3.1
157.07616	34.5
158.06012	77.8
159.06343	1.4
175.08667	100.0
176.07051	1.9
176.08998	0.7
179.10709	0.6
185.07167	0.9
185.10025	1.3
186.05486	2.7
189.00700	0.7
191.03931	0.9
203.08179	12.9
203.11087	1.6
204.06535	4.4
221.09241	21.5
221.11925	2.5
221.15520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.03953	0.2
55.01870	0.5
55.05505	0.4
56.27679	0.2
56.96569	0.4
57.07082	0.3
66.96521	0.2
67.05504	0.6
69.07067	0.8
71.05020	0.2
79.05498	0.7
81.07060	0.7
82.07390	0.3
84.04505	0.2
86.61060	0.2
89.49508	0.2
90.05540	0.3
91.05489	0.7
93.07037	0.6
94.07390	0.1
95.08609	0.6
97.06533	0.7
98.21553	0.3
105.07040	0.9
106.06613	0.3
106.07299	0.3
107.05004	0.2
107.08590	0.4
109.06530	0.4
109.10136	0.2
117.07016	0.3
118.06544	10.3
119.07395	0.3
119.08574	0.6
120.08116	0.2
120.08891	0.2
121.10201	0.4
123.08076	1.0
130.43021	0.2
131.08588	0.2
132.08086	2.4
132.08954	0.3
133.08879	1.2
133.10057	0.4
134.09660	0.7
134.10568	0.3
137.05942	0.3
144.08087	0.3
146.09599	2.9
147.10420	0.3
147.11714	0.3
148.08575	0.2
151.07542	0.3
158.13388	0.2
160.07550	0.7
160.11028	0.3
161.13255	0.6
162.09132	5.9
174.13754	0.2
175.14903	0.2
176.10773	3.6
176.14346	26.0
177.11511	1.2
177.14680	0.5
185.13036	0.2
189.15147	0.3
190.12262	2.9
191.12881	0.2
191.84489	0.2
202.15781	1.0
204.14543	0.8
205.15834	0.5
220.16960	100.0
221.15331	0.2
221.17245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.96573	0.5
63.19085	0.2
67.05509	0.4
67.51257	0.2
69.07092	0.3
70.85042	0.2
70.85403	0.6
79.05508	0.3
81.07079	0.8
83.05000	0.2
91.05507	0.5
93.07057	0.7
94.07407	0.2
95.04986	0.3
95.08612	0.6
98.21500	0.2
98.97577	0.4
105.07021	0.9
106.06577	0.4
106.07355	0.3
107.08599	0.5
109.06585	0.2
116.98635	0.3
117.07045	0.3
118.06541	11.2
118.42741	0.2
119.07378	0.3
119.08573	1.0
120.08877	0.3
121.06535	0.2
121.10170	0.4
122.10479	0.2
123.08075	0.2
130.98380	0.2
131.07336	0.2
131.08536	0.2
132.08070	2.7
132.08945	0.3
133.08876	1.4
133.10141	0.6
134.09645	0.8
134.10542	0.3
135.08049	0.4
135.11737	0.3
143.08594	0.2
144.08083	0.3
145.10091	0.3
146.09605	3.0
146.10558	0.3
147.10468	0.3
147.11646	0.3
160.11151	0.4
161.09578	0.3
161.11990	0.3
161.13237	0.4
162.09126	6.7
162.10475	0.4
162.13617	0.3
175.07535	0.2
176.10759	4.0
176.14343	27.0
177.00726	0.3
177.09062	0.6
177.11461	1.1
177.14687	0.7
188.11539	0.2
190.12250	3.9
202.15842	0.8
204.14734	0.9
205.15889	0.6
220.16948	100.0
221.08066	0.3
221.11711	0.2
221.15320	0.4
221.17267	2.3
227.42931	0.2
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	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05511	1.2
56.96566	1.6
57.07074	7.8
59.04997	5.7
67.05495	6.5
69.03431	0.9
69.07067	6.3
69.88186	4.1
70.02947	6.7
72.04143	1.2
72.04513	15.8
73.02909	4.0
74.02426	1.3
79.05502	0.7
83.04980	1.2
84.04536	0.7
85.06541	10.4
86.09699	1.5
87.04435	0.6
87.08111	2.2
90.05549	100.0
95.04959	8.3
96.08121	2.1
98.02407	15.7
98.97566	1.9
100.03976	2.4
103.03932	0.8
103.07569	7.3
112.07578	0.7
113.05993	2.7
116.03444	14.9
124.07584	19.7
134.10391	0.7
142.08629	8.7
156.10197	1.1
158.11746	1.4
160.03217	0.8
160.09720	1.3
164.02324	0.9
166.08656	2.3
174.11281	1.9
184.09682	18.6
185.10117	0.6
202.10738	29.2
204.14537	1.1
206.03410	0.7
220.11794	26.7
220.17728	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	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.47634	0.7
55.01871	2.1
55.05511	1.0
56.96564	1.8
57.03414	0.8
57.07077	6.5
59.05012	4.4
61.02911	1.4
67.05496	5.8
69.03435	0.6
69.07065	5.5
70.02953	7.1
70.85774	1.5
71.01337	2.3
72.01711	0.7
72.04511	13.0
73.02930	5.1
74.02429	1.6
75.04482	2.5
76.04807	0.9
78.21481	0.8
79.05478	1.1
81.07027	0.9
83.04968	1.7
83.06113	0.8
85.06541	9.5
86.09704	1.4
87.04480	1.0
87.08102	1.8
90.05551	100.0
95.04962	8.1
96.08141	2.1
98.02410	12.3
98.06075	1.4
98.97567	1.3
100.03983	2.3
103.03922	1.1
103.07577	7.5
104.04288	2.7
105.07005	1.0
108.34721	0.7
113.06006	2.7
116.03441	14.8
116.98648	1.0
122.10386	0.9
124.07588	18.2
130.08685	1.0
134.10445	0.9
140.10728	0.9
142.08626	7.7
143.64311	0.8
146.05989	1.4
156.10228	1.3
158.11700	4.2
159.02849	1.4
160.03201	4.1
160.09669	1.6
166.08633	1.8
170.30473	0.7
172.09599	0.8
174.11247	2.4
184.09682	19.5
202.10739	26.0
204.14658	3.7
205.15913	2.9
220.11792	26.7
220.17769	15.4
224.06577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.85957	0.4
53.03952	0.6
55.05529	1.4
56.96571	1.5
67.05508	2.4
69.07079	2.0
70.55399	0.7
70.55755	1.2
70.94868	0.4
79.05500	3.2
81.07053	8.4
83.04986	1.0
91.05473	11.6
91.06004	0.8
93.07036	6.0
95.04971	1.2
95.08633	1.5
97.06509	0.4
103.05486	1.0
105.07028	17.3
107.04954	1.1
107.08608	2.8
109.06554	0.6
109.10129	0.8
115.05468	1.7
116.06293	1.1
117.07011	20.1
118.07878	0.5
119.08581	14.8
121.06484	1.2
121.10143	3.2
123.08044	0.5
128.06219	2.0
129.06952	2.8
130.07791	4.7
131.08563	38.9
132.08894	0.4
133.06430	0.4
133.10133	4.3
135.08060	1.3
139.07513	1.1
143.08546	8.2
144.09351	2.3
145.06436	1.3
145.10117	100.0
146.10828	2.2
147.11667	1.8
149.05991	1.5
149.09586	0.7
149.13362	0.5
151.07622	0.5
155.08539	0.8
158.10896	2.0
159.08041	0.7
159.11653	2.0
161.09547	0.7
161.13237	1.5
163.07512	5.0
163.11189	4.7
171.11613	0.5
172.94179	1.0
173.06023	1.0
173.13260	45.4
173.76015	0.5
174.13589	0.8
175.14792	1.4
177.09116	1.5
181.62877	0.4
183.11746	0.7
187.11142	0.5
190.95302	2.7
191.14240	1.3
201.12756	3.2
201.16319	0.5
203.14330	6.2
203.17136	0.5
213.96890	0.7
219.10408	0.5
219.13852	19.8
219.17397	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	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03934	0.5
55.05509	1.8
56.96566	1.6
57.03426	0.4
63.14813	0.3
65.03922	0.5
67.05502	1.8
69.07041	1.2
71.04829	0.7
73.02920	0.5
79.05489	2.2
81.07055	7.3
83.04964	1.4
85.01382	0.4
91.05479	9.8
93.06563	0.4
93.07044	5.6
95.04941	1.0
95.08577	1.6
103.05433	1.0
105.07032	14.8
105.07751	0.7
107.04929	0.9
107.08591	2.4
109.06523	0.6
109.10146	0.6
115.05446	1.7
116.06227	0.9
117.07013	20.1
119.08580	14.3
121.06509	1.6
121.10131	1.7
128.06233	1.2
129.07016	2.2
130.07791	4.4
131.08563	33.8
132.08955	0.5
133.10135	3.1
135.08072	0.7
135.11668	0.8
135.18901	0.4
139.07539	0.9
143.08551	7.4
144.09357	2.2
145.10118	100.0
146.10878	2.5
147.11656	1.5
149.05977	1.0
157.10095	0.5
158.10983	1.7
159.08060	0.9
159.11688	2.4
161.09627	0.6
161.13277	0.8
163.07561	3.7
163.11171	4.8
171.11678	0.8
172.94252	0.9
173.13261	45.9
174.13690	1.0
175.14825	1.7
177.00473	0.4
177.09094	1.2
183.11752	0.6
190.95221	2.0
191.14296	0.7
193.52155	0.3
196.51115	0.4
201.12724	3.2
201.16321	0.4
203.14313	4.8
219.10371	0.8
219.13841	21.0
219.17377	16.0
219.19618	0.6
224.54932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
51.86382	0.6
52.04315	0.6
55.01873	2.1
55.05518	1.9
56.05020	1.4
56.96570	1.4
57.03437	1.6
57.07076	6.7
59.05004	5.8
60.04530	9.6
61.02937	3.3
61.04860	2.3
67.05499	6.2
69.03430	1.9
69.07055	4.6
70.02953	6.9
70.06584	0.7
71.59245	0.9
72.04519	15.6
72.08141	1.6
73.02919	8.2
73.08490	1.2
74.02445	2.1
74.06082	2.4
79.05465	1.0
81.03412	0.9
83.04979	1.3
84.04511	2.1
84.08152	1.0
85.02899	3.4
85.06544	11.0
86.09703	5.5
87.05573	0.7
87.08100	2.6
87.10046	5.3
88.04014	0.6
90.05556	100.0
94.06581	0.8
95.04970	6.8
96.08147	1.8
97.02892	2.2
98.02416	13.2
98.97583	1.9
99.04462	1.1
100.03976	3.0
101.02383	0.7
103.07587	8.2
104.01328	0.8
104.10757	0.9
109.02888	0.7
110.01274	0.9
112.01761	0.6
112.07574	0.5
113.06017	2.8
114.05563	1.6
116.03460	17.7
116.98637	2.7
119.01881	1.8
122.10464	0.7
124.07590	18.2
127.03918	1.0
128.98645	1.1
131.07063	1.8
132.10194	2.6
133.03477	1.1
133.10556	3.4
134.99696	1.4
135.03053	0.6
142.05008	0.9
142.08618	8.1
146.02312	0.9
146.99716	1.5
151.04553	0.8
155.02846	1.4
156.10242	1.3
160.06068	1.1
160.09686	2.2
161.01399	0.8
161.02890	2.1
166.08679	1.5
173.02998	1.2
174.03120	0.7
174.11258	2.5
174.13194	2.8
175.04601	0.7
177.00630	0.9
182.03336	0.7
184.09698	21.1
189.00783	1.0
191.03900	2.3
200.04427	1.7
202.10754	27.7
202.12497	0.9
204.14659	4.4
205.15915	1.1
213.83195	0.6
219.01891	0.7
219.31035	0.6
220.05994	1.0
220.11803	26.1
220.17769	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	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.02359	0.5
53.03936	0.4
55.05505	1.3
56.96555	0.5
57.07061	0.5
59.02036	0.4
59.73033	0.4
61.41339	0.3
67.05487	1.5
69.03406	0.4
69.07072	1.1
69.56820	1.4
69.57240	1.4
71.02691	0.3
79.05486	3.2
81.07059	8.7
83.04967	1.4
91.05479	9.8
91.05966	0.3
93.07037	5.8
93.78733	0.3
95.04964	0.8
95.08600	1.6
98.21442	0.8
98.33900	0.3
98.97587	1.7
103.05474	0.9
105.07030	17.1
107.08593	1.5
109.06544	0.7
109.10167	0.6
115.05447	1.5
116.06216	0.6
116.98615	1.4
117.07019	22.6
119.08585	13.0
121.06506	1.6
121.10143	1.2
128.06209	1.7
129.06984	2.8
130.07805	4.5
131.08565	37.2
132.08929	0.5
133.06407	0.5
133.10150	2.8
134.99699	0.5
135.08099	0.9
139.07571	1.1
143.08553	7.3
144.09340	1.9
145.10123	100.0
146.10930	2.4
147.11662	1.6
149.05971	0.9
157.10146	0.5
158.10864	1.8
159.08092	0.7
159.11711	1.7
161.13277	0.6
163.07527	3.7
163.11169	4.4
172.20421	0.4
173.13266	47.9
174.13708	0.6
175.14844	1.6
177.00702	0.5
177.09117	1.1
191.14401	0.9
201.12737	2.8
203.14293	2.1
219.13829	21.1
219.17319	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05511	0.9
56.96562	1.4
60.04527	100.0
67.05502	0.9
68.07106	0.4
69.07073	1.2
70.02948	1.1
70.77370	0.9
70.77703	1.1
71.01390	0.4
72.04517	0.7
72.08151	0.5
73.02931	0.6
79.05512	1.4
81.07066	1.2
83.04964	0.8
85.02923	0.6
85.06517	0.5
86.09708	69.1
87.04485	0.6
87.05611	3.9
90.05565	3.8
91.05473	1.0
93.07072	0.7
95.05004	0.7
95.08613	0.6
98.97599	2.0
100.60387	0.6
103.03960	0.8
105.07037	0.8
107.08615	0.8
116.98615	2.1
119.08598	1.9
121.10150	2.0
124.07613	1.1
126.09132	0.8
128.10735	2.4
131.03397	0.6
131.08516	0.7
132.10207	46.7
133.10179	1.9
134.99648	1.5
135.08069	0.8
145.10086	0.6
146.06093	0.8
157.07568	0.7
158.11737	0.5
161.09627	0.8
161.13297	0.9
173.12859	25.0
177.00731	0.9
178.67274	0.5
184.09741	0.6
187.11130	0.6
189.88120	0.6
201.12381	3.7
202.10765	0.9
203.14323	11.8
219.11499	1.0
219.13484	6.5
219.17445	43.3
220.11827	0.6
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	(2R)-Pterosin B
Peak:m/z	Relative Intensity
54.24542	0.3
55.05489	1.6
56.96543	0.9
59.69154	0.3
65.03921	0.5
67.05489	2.6
69.03374	0.3
69.07063	1.5
71.04986	0.4
71.55878	0.5
76.71124	0.3
77.03904	0.3
79.05489	3.3
81.07054	8.8
83.04964	0.9
91.05475	11.0
93.07037	6.8
95.04937	1.0
95.08602	2.7
97.06513	0.6
98.97598	2.3
103.05453	1.4
105.07025	19.2
107.04928	1.0
107.08570	2.9
109.06494	1.0
109.10165	0.6
110.89308	0.3
115.05435	1.3
116.06233	1.3
116.98637	1.5
116.99339	0.4
117.07012	22.4
118.57262	0.3
119.08579	14.8
119.09443	0.7
121.06502	1.1
121.10157	2.4
123.08043	1.1
128.06213	1.3
129.06995	3.6
130.07791	5.2
131.08562	40.8
133.06436	0.3
133.10117	4.0
134.99663	0.6
135.08054	1.4
135.11650	1.0
139.07542	0.8
141.07062	0.3
143.08557	8.7
143.50734	0.3
144.09349	1.8
145.10115	100.0
146.10895	2.5
147.08102	0.5
147.11676	2.3
149.05980	0.8
155.08600	0.3
157.10117	0.6
158.10910	1.8
159.03024	0.3
159.08046	0.8
159.11665	3.6
161.09647	0.6
161.13237	2.3
163.07526	3.1
163.11172	4.6
163.14763	0.4
171.11696	0.6
173.13260	44.8
174.13857	0.4
175.14810	1.6
177.09055	1.4
183.11699	0.4
190.95374	0.6
191.14279	0.8
201.12746	3.0
201.16402	1.9
203.14291	3.9
219.13824	19.3
219.17371	15.0
219.19601	0.5
231.12561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27792	0.8
55.01877	4.2
55.05492	3.2
56.96569	7.7
57.03432	1.6
57.07083	0.9
58.06601	1.1
59.05000	2.4
60.04518	7.5
61.02931	5.7
61.03194	1.3
67.05502	2.3
68.99774	2.5
69.03403	2.6
69.07048	3.4
71.01353	40.1
71.20933	1.7
72.08134	1.6
73.02908	2.9
74.06065	3.0
75.04477	12.3
78.92881	0.8
79.05464	2.8
81.07042	3.7
83.04967	1.2
84.04514	1.2
84.08134	2.5
85.02890	3.7
86.09711	9.4
87.04453	1.5
89.02395	1.3
90.05551	1.2
91.05484	2.0
93.07027	4.2
95.08567	1.3
97.02887	1.6
98.97577	3.7
99.00837	1.3
101.02344	2.4
101.06016	1.1
103.03941	14.0
103.34390	0.9
105.07055	4.6
107.08585	2.6
109.06536	1.0
110.97536	1.1
111.00845	5.2
111.04401	1.5
112.43951	1.1
113.02341	1.3
113.85978	0.9
115.05553	1.0
116.98611	4.5
117.01853	5.4
117.07005	1.1
119.01894	2.5
119.08566	6.1
121.01669	1.9
121.10127	7.0
121.28877	0.8
125.02258	0.9
127.00273	1.8
127.01466	1.4
128.10635	0.9
128.98666	1.1
129.01828	3.6
129.06993	1.0
131.02454	2.0
131.03398	31.0
131.08580	2.0
132.10167	3.1
133.04965	1.0
133.10117	6.3
134.99629	2.8
135.11761	1.2
137.02942	1.5
141.01781	1.9
142.02504	1.3
145.01295	7.6
145.04967	2.2
145.06454	1.1
145.10141	2.9
146.99612	1.3
147.03128	1.6
147.11659	2.1
149.13235	0.9
154.94160	1.0
157.04941	7.7
159.01532	1.9
159.02888	35.1
159.11696	1.0
160.03032	1.2
161.09653	2.1
161.13257	3.2
165.04245	1.0
168.01790	1.9
170.10973	1.4
172.95233	2.7
173.06017	1.0
173.09532	0.9
173.12875	2.9
175.14825	1.6
177.00693	1.3
177.02388	0.9
177.04173	1.2
185.13243	1.0
187.11200	1.9
190.96281	1.5
190.98651	1.6
193.00137	1.1
195.01839	1.6
201.02249	1.0
203.14310	32.2
219.03419	1.6
219.17432	100.0
237.02722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78217	0.8
54.41548	0.8
55.01873	4.2
55.05511	1.5
56.96560	2.9
61.02925	20.5
67.05492	1.6
71.01355	37.0
71.51466	1.4
75.04480	53.2
81.07053	1.0
83.08632	0.9
84.54782	0.9
84.99281	1.3
85.02889	1.0
86.09705	1.0
87.04466	18.1
89.02399	9.6
91.05478	1.6
92.14776	0.9
93.07032	1.2
97.02949	1.1
98.97565	3.4
101.06009	1.2
103.03941	62.1
105.07041	1.7
107.08591	1.5
116.98616	2.1
117.06935	0.9
119.08584	3.4
121.10129	4.3
122.87876	0.8
131.03398	15.5
131.08514	1.6
133.10123	2.4
134.99657	1.4
135.08141	0.8
145.10089	1.6
146.05983	0.9
147.11659	1.1
157.07703	1.1
159.02888	100.0
161.09616	1.1
161.13205	1.1
172.94235	1.2
175.14796	1.0
187.02373	8.0
188.12119	0.9
190.95294	2.3
203.14326	17.4
219.04961	8.9
219.06700	0.9
219.17441	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91327	27.1
71.45550	62.6
72.08142	100.0
73.00404	32.8
74.06071	83.0
82.84541	30.3
84.04474	35.8
84.08160	60.3
86.09710	92.5
88.49446	30.9
96.54209	31.9
112.57492	28.8
116.98621	44.8
124.29118	30.4
134.99646	34.8
203.14513	41.5
219.02800	61.2
219.17433	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.8
55.05492	2.0
56.96552	4.6
61.02645	1.9
61.02925	25.7
61.03395	1.0
67.05503	1.4
69.03427	1.2
69.07080	1.1
71.00955	2.2
71.01356	41.8
71.58212	2.3
73.65598	1.0
75.04481	67.8
76.25559	1.1
79.05473	1.7
81.07054	1.5
84.99278	1.9
85.02892	1.1
86.09698	2.2
87.04468	24.8
87.52834	0.9
89.02396	10.1
89.93265	1.1
90.05524	1.1
91.05486	1.4
93.07023	2.1
95.08610	1.3
98.97586	6.0
101.06004	1.5
103.03941	78.3
105.07016	2.6
106.86118	0.9
107.08578	3.1
116.98601	4.7
117.07009	1.2
119.08578	5.4
121.10141	4.3
126.12804	1.1
130.06490	1.4
131.03404	12.6
131.06032	2.2
133.10123	4.6
134.99715	1.9
135.11711	1.2
146.04858	1.2
146.05988	8.2
147.11627	1.7
157.07535	1.5
159.02895	100.0
160.03117	1.1
161.04543	1.1
161.09631	1.8
161.13226	2.2
173.07079	2.5
175.14803	1.7
177.00714	2.1
185.13326	1.5
187.02347	12.5
190.95351	3.1
195.01741	2.1
203.14314	26.9
219.04967	10.9
219.07625	3.4
219.17436	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03669	1.4
53.03928	3.3
54.75205	1.4
55.01858	1.7
55.05271	2.8
55.05512	50.6
55.22987	1.5
57.01038	1.6
57.07053	5.8
59.04992	3.8
62.91333	1.4
67.05164	2.4
67.05504	28.8
69.03410	2.9
69.07070	19.4
69.16619	1.6
69.74188	1.3
70.42316	6.0
73.02908	1.8
79.05491	12.8
81.07057	41.8
81.23418	1.4
83.04980	54.1
83.08627	8.5
85.06505	4.0
87.04448	6.3
89.02363	5.8
89.06025	11.5
91.05473	25.0
93.03380	2.0
93.07042	21.7
95.04957	3.1
95.08606	41.1
97.10181	3.2
98.21397	1.9
99.04456	3.7
101.06028	19.2
105.07030	52.4
107.04942	2.5
107.08590	33.0
109.06439	2.3
109.10158	38.1
111.04443	65.3
111.08074	1.8
113.05991	10.6
115.05425	3.8
117.06998	8.5
119.08577	56.3
121.10142	30.8
123.10928	2.1
123.11723	20.9
125.09581	1.8
127.07555	10.4
128.06198	5.4
129.04605	2.5
129.05493	26.9
129.06953	13.1
131.08568	11.6
133.10124	33.5
135.11696	12.2
137.05965	4.3
141.06992	2.1
142.07739	4.5
143.08572	22.2
145.06555	1.6
145.10124	15.5
147.08099	2.2
147.10526	1.7
147.11690	34.6
149.13261	2.5
155.07030	96.2
156.07373	2.2
156.09306	7.2
157.10106	5.0
159.11691	6.5
161.05930	4.6
161.09583	2.5
161.13258	46.2
162.13860	2.3
171.11691	42.8
172.12032	2.2
173.08102	48.6
173.09520	2.6
173.13252	2.7
175.07529	2.1
175.11205	2.7
175.14839	15.3
181.10074	1.7
187.14755	1.5
189.16379	7.0
199.09602	3.8
199.11229	4.3
199.14813	6.0
217.04887	1.7
217.10678	49.1
217.12350	13.2
217.15919	12.3
217.19514	100.0
218.10933	1.8
218.19827	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81189	11.6
54.02435	11.8
55.05501	15.5
63.88198	15.4
67.82126	13.4
69.81330	10.5
71.59860	21.9
72.08145	49.0
84.08136	93.0
91.27915	12.6
97.17072	12.0
98.97555	29.3
121.01663	40.4
130.08644	23.3
137.02980	12.6
139.02724	14.9
147.03195	16.7
203.14212	18.6
219.07214	16.9
219.17342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03931	1.8
55.01864	2.5
55.05511	43.2
56.96573	1.3
57.07063	1.8
59.04977	3.8
63.99081	1.1
65.03924	3.0
67.05177	1.1
67.05507	15.2
69.03429	8.6
69.07068	12.5
69.42143	9.0
69.42548	2.7
71.04973	2.3
73.02891	3.4
76.67951	1.1
79.05491	12.6
80.52301	1.1
81.07059	18.3
83.04981	58.3
83.08610	6.5
85.06523	5.0
87.04463	5.8
89.02398	6.1
89.06028	9.0
91.05479	21.7
93.03377	1.1
93.07047	24.6
95.04968	37.4
95.08608	21.8
97.06516	9.2
99.04447	3.6
101.05377	1.6
101.06024	23.2
103.05458	2.9
105.07032	54.4
107.04939	1.7
107.08594	18.1
109.06527	13.7
109.09448	1.5
109.10154	15.4
111.04439	68.2
111.08060	3.6
113.06020	8.2
115.05429	4.0
117.07009	10.0
119.04975	1.3
119.08578	32.6
121.06545	5.9
121.10143	73.7
123.08070	14.8
127.07570	9.9
128.06233	8.7
129.05487	27.0
129.06979	14.4
130.07735	1.9
131.08577	17.4
133.06465	2.3
133.10118	20.4
135.08023	2.0
135.11697	4.3
137.05969	3.5
137.09630	3.3
141.06966	1.5
142.07791	5.6
143.08574	26.5
144.09309	1.7
145.10121	17.8
146.07243	1.9
147.08067	9.4
147.11664	8.4
149.09627	2.4
155.07033	100.0
156.07335	1.4
156.09343	9.1
157.10135	19.5
158.07176	1.5
158.10983	1.4
159.08026	2.9
159.11681	11.2
161.05946	4.5
161.09624	20.5
161.13254	3.5
169.10123	2.9
170.10907	2.4
171.11697	40.7
173.08107	55.2
173.09550	3.0
173.13220	9.7
175.07571	3.4
175.11171	6.5
175.14824	5.6
181.10120	1.7
184.12407	1.7
187.14789	2.5
189.09122	2.9
189.12708	2.6
189.16386	6.2
199.09637	6.9
199.11206	3.2
199.14821	25.7
217.04974	2.8
217.08849	1.3
217.10677	47.6
217.12361	9.2
217.15863	85.1
217.19479	5.2
233.33040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
51.43700	0.4
53.03925	0.8
53.23087	0.3
55.01857	0.7
55.05506	3.5
55.46193	0.4
65.03920	0.7
66.77116	0.4
67.05472	1.6
67.05794	0.3
69.03405	1.2
69.07049	0.7
70.88845	0.8
70.89168	0.4
79.05487	7.6
81.07054	11.3
83.04971	1.7
87.04443	0.4
89.06025	0.4
91.05478	14.7
93.07035	6.0
95.04945	1.4
95.08589	1.1
97.06509	0.6
101.05983	0.5
103.05453	2.2
105.07032	15.9
106.07383	0.5
107.04960	2.4
107.08546	1.1
111.04423	1.9
115.05436	6.5
116.06217	1.1
117.07014	15.0
119.04935	1.3
119.08588	5.2
121.06490	1.1
123.04383	0.6
125.92316	0.4
128.06215	14.6
129.07004	28.0
130.07799	3.8
131.04848	0.5
131.08563	19.9
132.09312	1.5
133.06488	2.7
133.10097	0.9
137.05986	1.9
141.06963	5.0
142.07784	5.7
143.08557	46.8
144.08958	1.2
145.06465	1.6
145.10117	26.7
147.08020	1.7
148.76262	0.4
149.05959	1.3
151.07620	0.3
153.06950	0.4
154.07739	0.7
155.05934	0.6
155.07159	2.7
155.08398	2.4
156.09343	14.1
157.06512	2.4
157.10156	2.1
161.05984	11.4
161.09586	1.8
163.07516	0.7
165.07010	1.4
166.07747	2.5
166.92679	0.3
169.10117	2.4
171.11682	100.0
172.12024	2.8
173.08105	1.3
173.13249	4.2
175.07545	3.7
181.10135	6.3
184.08862	1.3
189.09097	2.0
189.12738	1.6
199.09734	0.3
199.11172	11.5
217.12256	34.0
218.12547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03931	1.2
54.05228	0.3
55.01862	0.8
55.05510	3.3
65.03928	1.0
67.05492	2.6
69.03428	0.7
69.07050	1.0
70.43253	1.5
79.05495	7.9
81.07060	12.1
83.04981	0.6
91.05482	17.8
93.07049	5.0
95.04956	2.3
95.08611	1.0
103.05476	2.6
105.07030	17.5
105.10452	0.4
107.04971	3.2
107.08559	1.3
111.04433	0.5
115.05453	8.3
116.06225	1.8
117.07014	17.6
119.04921	1.5
119.08583	6.6
121.06487	0.6
123.04421	0.9
125.05955	0.7
128.06224	15.8
129.07005	33.1
130.07843	3.7
131.08569	19.0
132.09305	1.9
133.06471	3.0
133.10185	0.9
137.05986	1.5
137.43201	0.4
141.07001	6.0
142.07790	7.2
143.08560	46.3
144.09129	0.7
145.06480	1.2
145.10121	25.9
146.10471	0.8
147.08023	1.2
149.06001	1.7
154.07722	0.7
155.07086	0.8
155.08566	2.0
156.09344	15.9
157.06541	2.2
157.10100	3.3
161.05968	10.5
161.09598	1.1
165.06981	2.0
166.07777	2.5
169.10092	2.3
171.11690	100.0
172.11986	2.0
173.13257	4.0
175.07545	3.8
181.10121	5.0
184.08849	1.0
189.09120	1.9
189.12766	1.9
199.11166	11.6
200.11620	0.4
216.51340	0.4
217.12254	33.0
218.12555	1.1
219.00443	0.5
221.13634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
51.02369	0.8
53.03924	1.1
55.01853	0.9
55.05508	3.3
67.05495	1.5
70.25548	2.6
73.02902	0.8
79.05495	6.6
81.07057	10.9
83.04958	1.5
91.05474	14.0
93.07030	4.7
95.04954	1.7
95.08583	1.3
103.05437	2.2
105.07027	17.3
107.04931	2.1
107.08556	1.8
111.04455	1.8
115.05435	6.7
117.07005	15.6
119.04925	1.6
119.08581	5.1
121.06473	0.9
128.06212	13.1
129.06996	29.1
130.07745	3.0
131.08568	19.1
132.09349	1.8
133.06482	2.6
137.05945	2.6
141.06955	3.8
142.07796	5.4
143.08557	45.1
145.06482	1.3
145.10115	25.1
147.08051	2.2
149.05928	1.3
153.06953	0.7
155.06995	2.4
155.08507	2.2
156.09341	12.1
157.06454	2.5
157.10056	2.2
158.10910	0.7
161.05978	11.5
161.09621	1.6
165.07027	1.0
166.07762	1.6
169.10118	3.6
171.11682	100.0
172.12059	1.9
173.08118	1.8
173.13194	3.6
175.07562	4.5
181.10127	6.7
184.08855	1.2
189.09135	1.8
189.12782	3.3
199.11180	12.1
217.10201	1.7
217.12250	33.7
218.21176	5.3
228.76546	0.7
231.02701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01848	0.8
55.05512	4.9
59.04976	0.5
65.03911	0.5
67.05480	1.8
69.03400	0.7
69.56265	3.3
73.02880	0.8
79.05492	6.1
79.48737	0.4
81.07056	14.9
83.04990	2.9
87.04456	0.5
91.05479	12.5
93.06470	0.5
93.07038	5.2
95.04927	1.9
95.08560	0.7
97.06504	0.6
98.20787	0.8
101.02567	0.4
101.06004	0.9
103.05454	2.2
105.07025	15.5
107.04909	1.5
107.08553	1.2
111.04436	3.1
113.05841	0.4
115.05438	6.7
116.06240	0.8
117.07011	13.9
119.04887	1.1
119.08578	5.3
121.06483	1.0
123.04420	0.6
128.06223	11.3
129.05423	0.7
129.07004	28.3
130.07828	3.4
131.08569	18.6
132.09325	0.9
133.06488	2.1
133.10124	1.2
135.04466	0.5
137.05989	1.0
141.06967	4.0
142.07777	5.5
143.08559	40.2
144.09200	0.8
145.06473	1.3
145.10121	18.2
145.11281	0.9
147.08031	1.8
149.05975	1.7
153.06903	0.6
154.07768	0.7
155.06004	0.6
155.07021	4.8
155.08530	2.0
156.09349	10.7
157.06442	1.4
157.10098	2.5
158.10887	0.5
161.05974	5.7
161.09625	1.4
165.06984	1.4
166.07755	2.9
169.10095	2.3
171.11684	100.0
172.12025	2.5
173.08127	2.3
173.13274	5.4
175.07536	3.9
181.10121	5.1
184.08823	1.0
184.12364	0.4
189.09103	1.7
189.12755	2.4
199.09480	0.9
199.11185	10.1
217.12267	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	217.1222
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03938	2.6
55.01863	3.2
55.05508	36.1
56.96560	2.2
57.03415	1.0
59.04995	3.1
59.85406	1.0
63.46637	1.0
65.03928	1.1
67.05501	5.9
69.03426	3.9
69.07045	2.7
70.85458	3.4
71.39802	1.1
73.02924	2.2
73.23259	1.3
75.57444	0.9
79.05068	1.3
79.05491	12.8
81.07052	22.6
83.04978	50.9
83.08585	2.5
85.06528	3.9
85.50110	0.9
87.04449	5.2
89.02380	3.9
89.06026	8.9
90.11361	1.0
91.05473	18.2
91.83641	1.0
92.35658	1.1
93.03410	1.4
93.07053	9.1
95.04959	4.0
95.08601	2.5
97.06513	2.2
99.02972	1.0
99.04459	4.8
101.06013	17.9
103.05474	3.0
105.07024	20.2
107.04935	3.5
107.08595	4.1
109.06495	8.5
111.04437	65.1
113.05979	9.3
114.54613	0.9
115.05475	6.4
117.07012	15.1
119.08567	8.7
121.06501	21.5
127.07541	11.7
128.06221	16.2
129.05493	20.4
129.06987	30.4
130.07761	2.1
131.04866	1.1
131.08560	19.1
132.09398	1.2
133.06456	3.7
133.10092	2.5
135.04431	1.8
135.08018	1.5
137.05927	4.9
141.06970	4.8
142.07788	7.9
143.08557	47.4
144.08995	1.4
145.06461	1.3
145.10126	22.9
147.06500	1.8
147.08017	3.0
147.11650	2.4
153.06996	1.4
155.07027	88.6
155.08380	2.8
156.05670	3.6
156.09338	15.5
157.06459	4.3
157.10121	8.3
159.08017	3.0
161.05991	11.7
161.09590	4.0
161.13240	1.6
165.06956	2.2
166.07784	3.1
169.10129	2.3
171.11687	100.0
172.11998	2.0
173.08102	46.0
173.09550	3.4
173.13210	3.2
175.07506	5.2
175.11108	3.6
181.10091	6.4
182.02316	2.3
184.08836	1.7
189.09106	1.6
189.12720	4.7
191.71396	1.2
199.09598	3.8
199.11208	18.2
199.14774	1.2
202.06320	1.6
217.05096	1.6
217.08412	3.3
217.10654	35.7
217.12296	36.0
217.15831	3.6
217.19446	2.7
218.12744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03937	2.5
55.01857	2.1
55.05509	22.3
57.07065	0.9
59.04984	1.7
65.03941	1.1
67.05508	4.7
69.03429	4.0
69.07048	2.3
70.01240	3.5
73.02914	2.0
77.03941	0.7
79.05489	15.4
81.07054	27.4
83.04981	27.7
85.02882	0.9
85.06536	1.5
87.04474	3.2
89.02365	2.3
89.06034	4.5
91.05474	19.4
93.07040	10.0
95.04974	4.2
95.08594	2.2
97.06536	1.9
99.04449	2.7
101.06008	10.9
103.05453	2.9
105.07027	21.1
107.04961	3.8
107.08580	2.8
109.06509	9.3
111.04437	34.1
111.08076	0.8
113.06016	4.0
115.05460	7.4
116.06213	0.9
117.07014	14.9
119.04947	1.8
119.08582	9.0
121.06503	24.6
123.04446	1.0
123.08054	0.7
127.07555	9.3
128.06224	14.0
129.04628	0.8
129.05525	11.2
129.06999	28.5
130.07814	3.3
131.08575	19.0
133.06458	3.4
133.10124	3.2
135.04399	2.2
135.08060	1.8
136.12457	0.7
137.05956	3.3
141.06970	5.0
142.07780	11.5
143.08559	44.2
145.06470	3.7
145.09030	1.4
145.10123	23.8
145.11278	1.2
147.06538	0.8
147.08026	4.2
147.11681	3.3
149.05943	2.0
154.07761	1.0
155.07034	47.3
155.08440	3.4
156.05728	1.4
156.07350	1.3
156.09338	14.0
157.06479	2.8
157.10123	10.3
159.08052	7.3
159.11668	1.5
160.08644	0.8
161.05966	10.9
161.09596	2.9
161.13222	1.6
165.07059	2.5
166.07774	3.3
169.10106	2.0
171.08095	2.0
171.11685	100.0
172.12088	2.9
173.08102	27.3
173.09544	2.0
173.13240	4.5
174.10420	4.5
175.07565	5.5
175.11183	13.3
181.10146	6.2
184.08841	2.2
189.09097	2.0
189.12779	7.7
199.09601	2.5
199.11189	20.9
217.04843	0.8
217.10622	15.2
217.12260	46.4
217.15842	2.4
218.12601	1.2
234.20546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1221
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
50.17763	1.1
52.88388	1.1
53.03940	3.5
55.01865	6.4
55.05508	30.0
56.96563	2.8
59.04978	1.7
65.03928	2.1
67.05501	9.9
69.03421	9.7
69.07061	11.6
70.24773	3.3
70.25185	2.6
71.01327	1.5
71.04983	1.9
73.02926	2.0
79.05057	1.8
79.05491	32.2
81.07054	61.5
82.07372	1.2
83.04980	42.4
83.08615	2.9
85.02901	3.7
85.03367	1.0
85.06550	3.6
87.04454	5.0
89.02402	3.7
89.06028	8.4
91.05478	18.2
93.07043	19.4
95.04965	12.0
95.08604	1.6
97.06534	6.6
97.29243	1.3
98.97562	4.6
99.04436	3.0
101.06017	14.5
103.05424	3.1
105.04527	1.1
105.07027	21.9
107.04935	7.3
107.08585	5.2
108.60413	1.1
109.06509	39.9
111.04440	49.1
111.08039	1.9
113.06016	6.4
115.05463	2.7
116.98642	2.7
117.07026	7.6
119.04945	2.6
119.08576	12.8
121.06499	100.0
122.06847	1.6
123.04475	1.3
123.08042	4.1
127.07559	30.7
128.06216	7.0
129.05489	16.4
129.07005	14.9
130.07802	1.5
131.08569	9.0
133.06503	6.9
133.10172	6.1
134.99684	1.3
135.04401	8.6
135.08057	6.3
137.05994	4.3
141.07002	4.9
142.07761	12.8
143.08554	24.1
145.06522	3.6
145.10103	9.1
147.08076	8.7
147.11665	9.6
155.07027	64.5
155.08392	2.8
156.05696	2.4
156.09338	9.4
157.06520	3.6
157.10127	21.7
158.07266	2.1
159.08055	3.0
159.11696	2.9
160.08821	1.3
161.06065	5.3
161.09625	4.0
161.13300	3.7
165.06892	2.7
166.07811	6.7
169.06468	1.3
170.07227	1.5
171.08047	3.2
171.11684	34.3
171.13136	2.3
173.08121	38.8
173.09596	5.8
173.13200	1.3
175.07501	1.1
175.11201	16.7
177.00735	2.7
181.10136	9.7
184.08864	5.7
189.12732	14.6
191.09563	1.1
199.09630	3.2
199.11180	40.4
199.14934	1.7
217.08774	1.7
217.10628	21.6
217.12270	65.9
217.15865	4.2
218.12746	1.3
237.02823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03933	1.6
55.01858	1.5
55.05507	19.6
56.96547	1.0
57.07070	0.6
57.65876	0.5
59.04981	1.7
65.03918	0.8
66.04709	0.5
67.05498	3.2
67.52244	0.5
68.14547	0.5
69.03409	2.3
69.07079	1.2
70.30842	1.8
73.02893	1.6
79.05495	8.3
81.07053	18.3
83.04979	22.4
83.08588	1.4
85.06505	1.3
87.04455	3.3
87.70212	0.5
88.30702	0.5
89.02387	2.1
89.06039	3.8
91.05474	14.6
93.03411	0.8
93.07037	6.7
95.04946	2.3
95.08588	1.8
99.04451	1.8
101.06017	9.0
103.05472	3.1
105.07026	20.5
107.04939	1.2
107.08561	2.4
109.06542	0.6
109.10109	0.8
111.04438	29.0
111.08083	0.6
112.04758	0.6
113.06011	3.7
115.05449	7.8
116.06223	1.6
117.07018	12.8
119.04929	1.4
119.08568	7.3
121.06503	1.6
127.07562	4.6
128.06219	14.7
129.05508	10.7
129.06995	26.2
130.07826	2.9
131.08562	19.8
132.09357	0.7
133.06471	2.1
133.10101	1.9
137.05962	2.4
141.06993	4.4
142.07776	6.0
143.08556	49.2
145.06473	1.6
145.10110	22.5
147.06494	0.8
147.08046	2.2
147.11688	0.7
149.05997	1.3
154.07805	0.6
155.07033	44.6
155.08420	2.7
156.05760	0.9
156.07391	0.7
156.09335	12.4
157.06494	1.9
157.10141	3.6
159.08075	1.2
159.11601	0.9
161.05988	7.5
161.09608	3.2
161.13322	0.6
165.06975	1.6
166.07816	2.7
169.10120	2.2
171.11682	100.0
172.12041	1.8
173.08107	22.0
173.09595	1.0
173.13252	5.1
174.10376	0.6
175.07516	3.2
175.11226	1.2
175.14771	0.6
181.10118	5.8
182.02274	0.9
184.08830	1.3
189.09113	2.4
189.12776	3.3
199.09593	2.3
199.11194	10.2
217.10623	15.6
217.12265	30.6
217.15846	2.3
217.19376	0.8
218.12714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1642
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.53729	0.8
53.03944	2.3
55.01868	1.7
55.05256	1.8
55.05508	25.3
57.03428	4.3
57.07070	2.7
60.63977	0.9
61.16634	0.9
65.03962	1.2
67.05501	34.3
67.11199	1.0
69.07069	24.4
71.04993	13.7
71.21261	1.9
72.93798	1.3
73.06574	1.2
74.09713	1.1
74.26347	0.8
75.58561	0.9
79.05492	15.6
80.91380	1.2
81.07054	70.0
82.07369	0.9
83.04970	5.4
83.08623	13.9
85.06540	22.0
90.94827	1.7
91.05478	19.4
93.07036	19.9
95.04973	2.6
95.08604	100.0
97.05913	1.4
97.06525	21.8
97.10171	9.3
99.08086	9.2
101.06026	1.4
105.07031	22.8
107.08583	9.9
109.06516	3.5
109.10141	8.1
111.08092	4.4
113.09641	3.0
115.07567	1.3
117.06981	1.7
119.08574	36.0
121.10126	9.3
123.08055	6.1
127.07629	1.4
130.07755	1.2
130.12282	3.3
131.08565	3.3
131.12598	1.9
132.95833	3.1
133.10123	22.8
133.11084	1.8
135.11696	15.4
137.09627	2.4
137.12294	1.8
137.13258	16.5
141.09109	1.2
145.06340	1.0
145.10106	2.3
150.96887	14.0
159.08087	1.6
159.11688	3.4
161.13255	64.1
162.13585	1.5
167.97171	1.1
169.10092	1.4
173.09642	1.2
173.98479	1.2
179.14316	25.2
191.97188	2.3
192.49237	0.9
197.13658	1.7
197.15305	8.7
205.24597	1.2
209.98253	1.3
215.07144	1.1
215.10657	2.1
215.14153	2.5
215.17905	3.3
215.21999	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	215.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54724	4.3
55.05515	28.2
56.21272	4.2
57.07067	4.8
65.26675	3.7
67.05501	30.5
69.07062	23.3
71.04978	17.0
71.05316	3.9
73.40110	4.6
74.09717	7.9
74.14037	4.7
78.40469	4.1
79.05482	18.8
81.07059	71.0
83.08611	19.5
85.06537	15.3
90.94787	8.0
91.05479	23.4
93.07053	23.0
95.08047	7.0
95.08606	100.0
97.06512	13.4
97.10148	5.8
99.08094	11.2
102.01214	3.6
105.07041	29.7
107.08597	16.6
109.10155	6.6
112.21992	4.2
114.46983	5.2
117.06976	6.5
119.08584	39.3
121.10178	13.0
123.08059	12.8
123.16908	4.0
130.12297	8.4
131.08591	8.2
131.12648	8.5
132.95819	9.4
133.10117	21.9
135.11668	17.4
137.13231	15.3
141.06961	6.3
145.10139	15.9
150.96875	65.0
154.07758	5.1
159.11775	8.8
161.13243	65.3
169.10085	13.6
173.09567	6.2
179.14360	20.3
191.97160	12.5
197.15279	6.4
209.98251	8.6
215.07060	4.4
215.10739	10.0
215.14294	15.2
215.17888	22.2
215.22040	89.2
232.54427	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	215.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93369	2.7
53.03926	3.2
55.01859	9.7
55.05510	20.8
57.03429	3.1
57.69469	3.0
67.05504	31.7
69.03412	3.7
69.07061	23.4
69.51747	26.2
70.95844	4.7
71.04995	9.5
72.93791	10.3
79.05489	14.4
81.07059	62.5
83.04959	6.4
83.08599	16.1
85.06549	15.2
90.11111	2.8
90.94830	9.9
91.05492	19.1
91.18972	2.8
93.00085	3.1
93.07059	19.3
95.08044	6.6
95.08609	82.6
96.44697	3.1
97.06532	18.8
97.10178	6.0
98.97559	5.4
99.08085	8.7
105.07039	21.2
107.08588	10.5
109.06492	4.0
109.10173	7.1
111.08078	3.7
115.05438	7.2
117.07014	5.4
119.04901	4.5
119.08584	33.1
121.10110	10.1
123.08096	4.5
129.07014	5.3
131.08572	7.4
132.95824	26.0
133.10127	17.0
135.11632	17.9
137.09583	5.7
137.13264	12.0
141.06981	10.8
143.08650	4.1
144.05707	9.6
145.06474	5.1
145.10117	7.7
149.96124	6.9
150.96895	100.0
157.06596	3.9
159.08051	4.4
159.11664	4.3
161.13258	58.8
167.97173	7.3
168.97942	4.2
169.06535	9.7
172.08836	5.4
173.02417	3.1
173.05984	8.5
173.09721	6.1
179.14291	28.6
187.07623	6.4
187.11073	4.3
191.97144	22.6
197.05917	5.4
197.09641	5.2
197.15414	11.4
209.98219	13.5
215.06996	30.1
215.10585	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	215.1642
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05498	21.7
57.03438	6.0
57.07060	6.2
67.05502	30.9
67.97098	3.1
69.07069	25.7
70.25264	10.4
70.95863	3.6
71.04980	14.4
71.28439	3.3
72.93779	13.7
74.09689	6.3
79.05486	18.0
80.10254	3.1
81.07053	74.7
81.65022	3.1
83.04982	4.8
83.08610	22.7
85.06521	17.8
90.94813	13.3
91.05493	26.7
93.07028	28.9
93.60509	3.8
95.08605	99.1
97.06514	22.3
97.10162	8.3
99.08099	4.5
105.07041	29.8
107.08582	11.2
109.06490	3.5
109.10137	11.7
111.08033	5.0
115.74944	3.1
117.06999	4.9
119.08595	43.7
121.10138	14.5
123.08035	7.9
127.07545	4.1
129.06956	4.3
131.08551	7.3
132.95848	39.0
133.10117	27.2
135.11700	19.1
137.13239	13.3
145.10107	10.0
149.96051	5.4
150.96890	100.0
159.11694	15.8
161.13255	58.0
167.97145	11.2
168.97917	5.1
173.02368	10.8
173.13197	6.4
179.14351	26.1
191.97148	24.2
197.15202	7.5
209.98256	19.0
215.07019	8.2
215.10687	5.8
215.14363	8.0
215.17966	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
52.83102	0.6
55.05500	2.3
56.96551	2.2
57.03422	0.6
57.07065	0.9
57.83482	0.6
67.05487	1.7
69.03391	0.7
69.07048	2.0
69.85573	0.6
70.95864	1.3
71.04975	2.7
71.55620	1.2
72.93786	5.3
74.09695	1.3
79.05502	3.0
81.07043	3.0
83.04951	1.0
83.08633	0.9
88.96897	0.7
90.94815	6.8
91.05466	6.3
93.07056	5.1
95.04972	3.3
95.08588	2.8
103.05467	1.2
104.89433	0.6
105.07025	7.0
107.08585	1.9
108.95843	1.1
109.06489	2.3
109.10152	0.8
115.05462	2.1
116.06219	0.9
117.07020	3.3
118.07840	0.6
119.08575	6.1
121.06492	2.3
123.08025	1.7
128.06218	2.3
129.07005	5.5
130.07756	2.3
131.04919	0.8
131.08569	17.5
132.95833	13.4
133.10126	2.8
135.08055	2.3
139.01785	0.6
141.06973	4.3
142.07773	11.8
143.08562	12.8
144.09290	2.2
145.06470	2.4
145.10124	18.5
146.10512	0.7
147.07980	1.1
149.96057	3.0
150.96889	48.8
153.06927	1.2
154.07718	1.3
155.08565	5.9
155.97404	1.3
156.09332	11.3
157.10126	43.6
158.07266	1.7
158.10904	10.2
159.08063	8.9
159.11693	4.1
159.79370	0.7
161.02333	0.8
165.07071	0.8
167.08556	8.9
167.97160	4.4
168.97926	3.1
169.06422	0.8
169.10124	10.1
171.08122	1.1
171.11714	9.9
172.08803	2.1
172.12473	9.0
173.02309	3.6
173.09636	11.5
173.13261	27.5
173.98502	2.8
181.10092	0.8
182.10922	18.3
183.11301	1.0
185.09622	5.4
186.10382	2.3
187.11287	2.9
187.14799	8.2
191.95425	0.6
191.97169	13.0
197.13263	30.2
198.13466	0.8
199.11127	1.0
200.11972	9.0
208.96478	1.0
209.98233	7.9
214.98759	2.0
215.07057	2.6
215.10793	2.7
215.14313	100.0
215.17813	2.9
216.14685	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1642
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.80774	4.8
53.94354	4.4
55.05502	28.1
58.88412	5.2
64.19473	4.8
67.05505	36.4
69.07053	21.0
71.04972	16.0
71.49068	9.8
73.06522	5.7
79.05485	21.0
81.06631	7.4
81.07056	73.4
83.04973	7.7
83.08609	14.8
85.06538	22.5
91.05470	19.6
93.07035	21.5
93.07574	5.4
95.08607	100.0
97.06541	24.7
97.10169	7.1
98.97608	7.5
105.07003	19.7
107.08595	7.3
109.04388	4.9
109.10153	12.2
110.23645	4.9
111.08069	6.8
112.93261	5.1
119.08601	34.8
121.10193	6.6
123.08096	5.9
128.34988	5.7
130.52678	4.7
132.95790	9.3
133.10121	22.9
135.11652	11.6
137.13225	13.9
141.06923	6.2
142.06250	4.9
145.10100	5.5
149.13875	5.2
150.96873	38.2
161.13255	66.2
167.32661	5.2
179.14302	21.0
191.97198	8.3
197.15315	14.8
215.07011	7.1
215.10553	8.6
215.14319	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01860	1.2
55.05509	56.4
56.05001	1.1
57.03429	3.5
57.07062	1.7
67.05504	28.7
69.07068	46.6
70.06588	1.2
71.04706	0.7
71.05016	6.7
73.06551	2.6
79.05046	1.4
79.05495	16.6
80.42109	0.9
81.07057	77.4
82.20744	1.0
83.05000	4.5
83.08617	40.7
84.08154	2.1
84.29274	0.8
85.06533	5.9
90.68567	0.8
90.94804	1.0
91.05486	14.8
92.08254	1.1
93.07050	16.2
95.04970	2.5
95.08607	100.0
97.06541	12.0
97.10166	13.7
98.09647	1.1
98.97588	1.2
99.04436	1.0
99.08088	3.5
100.11242	6.8
101.06013	2.8
101.11596	2.8
105.07033	17.6
107.08598	8.2
109.06494	3.9
109.10162	7.3
111.08072	4.8
113.09682	2.0
115.07562	2.4
117.06998	2.1
119.08582	29.2
120.21062	0.9
121.10127	8.6
123.08072	9.3
127.07563	3.4
129.09100	1.3
132.95848	1.8
133.10126	20.1
135.11684	12.0
137.09592	5.1
137.13252	19.2
141.09109	1.5
141.11469	3.1
141.61636	3.9
149.13234	1.1
150.96899	7.7
154.12212	1.1
155.04890	1.1
161.13258	45.1
167.97234	1.1
178.15892	1.3
179.14326	8.4
182.15440	2.7
183.15759	2.2
191.97231	1.4
196.16974	17.7
199.18109	1.8
200.18362	1.4
213.67987	3.1
214.10840	1.4
214.18021	62.2
215.10748	1.0
215.18353	1.4
220.43628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03931	4.2
55.01856	3.9
55.05508	17.9
55.45489	1.1
56.71545	1.2
56.96558	9.0
57.03433	3.1
57.07061	5.4
59.04980	1.5
64.45887	1.1
65.03954	1.5
67.05501	46.0
69.03423	5.8
69.07062	23.6
70.06574	2.9
71.04987	48.1
71.08616	2.2
71.60336	1.5
73.02909	1.4
73.06555	3.3
73.90020	1.2
78.04692	1.4
79.05487	20.6
81.03422	8.3
81.06572	2.9
81.07051	52.5
83.04966	4.8
83.08614	11.7
85.02905	3.4
85.06534	16.6
87.00828	1.4
88.07625	2.6
91.05476	10.0
93.07036	28.8
95.04957	9.6
95.08600	30.4
97.02899	4.4
97.06516	8.6
97.10156	5.5
98.97576	10.4
99.04468	6.3
99.08092	6.6
103.05447	3.7
105.07003	7.8
107.04954	21.1
107.08588	27.7
109.02905	8.3
109.06522	3.8
109.10148	100.0
110.03645	7.3
110.10475	2.2
111.08080	3.6
111.11691	1.4
113.09637	2.3
115.05421	1.6
116.98608	16.5
117.07020	2.6
119.08582	3.9
121.06535	1.6
121.10133	42.3
123.04404	6.7
123.11704	12.7
124.05271	2.0
125.02408	2.4
125.05981	2.8
125.09588	7.9
125.13225	2.5
127.01537	1.3
127.03896	15.1
127.11182	2.9
128.98538	1.5
129.06998	3.5
130.96271	3.0
131.05013	1.3
131.08572	3.8
133.10143	3.1
134.99664	11.7
135.08032	9.8
135.11693	19.4
137.13235	5.3
139.11166	4.0
141.06975	2.6
142.07715	3.4
143.08557	3.4
145.10123	1.3
146.99664	1.4
148.97353	8.5
149.13240	5.7
151.03879	3.9
151.11198	2.5
152.04585	1.3
153.09146	2.1
153.12738	12.2
155.08495	1.3
157.06499	1.5
157.10120	5.7
158.78676	1.5
158.99655	3.9
159.11681	3.7
161.01265	1.5
163.07547	9.1
167.07034	35.5
167.14352	4.6
169.10112	1.4
170.10941	1.6
171.11667	4.3
177.00740	7.9
177.12798	2.7
177.16386	24.5
185.09679	3.2
185.13203	2.7
189.56476	1.2
189.97566	1.9
195.10164	5.7
195.11873	1.7
195.13782	4.3
195.15781	2.3
195.17448	26.6
207.98776	1.6
209.15370	1.9
213.03922	8.2
213.05670	1.4
213.09149	5.0
213.12723	3.8
213.14597	2.4
213.16396	6.7
213.18494	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	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
56.96563	5.7
57.07074	4.2
67.05488	2.6
69.03437	1.1
69.07065	8.2
70.31013	2.2
71.04973	0.9
78.41752	0.6
79.05487	5.6
81.07053	3.3
83.08616	2.8
83.48414	0.5
88.07631	1.5
88.95303	0.8
91.05480	7.0
93.07037	7.3
95.04959	1.4
95.08616	3.0
97.06509	1.1
97.10203	0.9
102.04738	0.7
103.05456	0.9
105.07030	52.8
107.04954	1.4
107.08600	7.6
111.08018	0.6
115.05437	1.5
117.07045	3.6
119.08578	44.3
120.08892	0.8
121.06515	0.8
121.10149	10.5
123.08029	0.7
125.09614	0.8
128.06226	10.9
129.07007	8.5
130.07762	0.6
131.08560	2.8
133.10121	5.0
134.99667	0.9
141.06967	4.0
142.07770	15.5
143.08559	50.8
144.08876	1.0
145.10132	3.9
146.99661	0.7
148.96275	0.5
148.97325	3.0
155.08536	2.4
156.09351	15.4
157.10126	51.2
158.10785	2.1
159.11653	1.5
165.06992	1.5
167.02295	1.0
167.07042	2.5
167.08463	0.7
167.97133	1.5
169.10114	4.0
170.10921	4.0
171.11690	43.2
172.08768	1.1
172.12306	1.1
176.09627	1.1
180.09378	0.9
183.08029	1.1
183.11700	4.9
184.12495	2.8
185.09616	1.2
185.13272	6.5
189.97577	0.9
190.98764	0.7
192.10902	1.0
195.11754	1.6
198.10365	2.2
198.14046	5.1
199.14769	0.8
201.11395	0.9
207.98653	0.7
213.12784	6.9
213.16389	100.0
214.16853	2.6
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
52.77175	4.3
53.03937	10.8
55.01856	10.5
55.05505	38.3
56.96565	36.4
57.03434	8.8
57.07063	10.9
67.05505	70.7
68.99791	6.9
69.07070	41.1
71.04987	74.8
71.60335	7.8
79.05499	46.2
81.03375	4.6
81.07054	100.0
83.04976	9.7
83.08624	29.4
85.02885	5.9
85.06528	19.2
88.07621	10.8
91.05479	35.7
93.07040	73.3
95.04970	14.2
95.08604	45.9
97.06534	36.9
97.10151	13.0
98.97592	6.4
99.08070	6.2
105.07019	41.6
107.04933	10.3
107.08601	51.2
109.06513	6.5
109.10135	14.2
111.08076	15.6
115.05437	7.2
116.98627	8.2
117.07016	22.8
119.08576	26.5
121.06503	6.4
121.10184	25.0
127.03929	10.9
128.06203	10.9
129.06979	20.2
130.96318	7.6
131.08601	26.8
133.10133	24.2
135.08043	11.3
135.11700	29.4
136.04633	5.7
142.07785	16.8
143.08549	28.2
145.10089	13.0
147.05672	5.6
148.97365	28.3
149.01175	6.2
149.13272	30.1
153.05434	5.6
156.09286	8.1
157.06999	15.1
157.10120	38.1
159.11688	29.6
165.06914	6.7
167.07040	18.7
167.08412	8.0
168.57758	10.6
169.10013	6.4
170.05917	7.0
170.10840	6.0
171.07935	5.1
171.11711	36.9
177.12791	23.9
185.05963	5.6
185.09593	8.4
185.13263	10.8
189.97658	5.9
190.57153	5.9
195.11737	12.9
195.13812	24.7
213.05537	5.9
213.09087	20.7
213.12689	18.8
213.14766	19.7
213.16522	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.45282	0.7
53.03925	3.2
55.01624	1.0
55.01871	16.3
55.05511	77.6
56.96531	0.8
57.03428	1.1
57.07054	1.7
59.04993	1.3
61.03672	0.8
66.68967	0.9
67.05505	30.1
69.03111	0.9
69.03428	8.5
69.07066	14.3
71.04993	73.0
77.56993	0.7
79.05495	21.8
79.12916	0.7
81.03409	1.7
81.06579	1.4
81.07058	31.7
83.04994	5.4
83.08618	46.6
85.06541	7.8
87.04470	10.1
91.05484	6.6
93.07049	19.1
95.04945	1.7
95.08619	8.7
97.06532	100.0
97.10169	64.4
98.06869	1.2
101.09637	2.8
105.07024	3.4
107.04933	1.1
107.08597	23.6
109.02816	1.1
109.06487	2.1
109.09443	1.4
109.10154	14.3
111.08114	4.8
117.07042	5.0
119.04787	0.8
119.08573	1.2
121.06499	1.7
121.10136	3.7
123.08109	1.0
125.09628	38.4
126.10023	0.7
127.03903	1.3
131.08545	5.3
133.10123	5.4
135.08046	6.6
135.11703	6.9
143.08446	1.1
143.10667	1.0
147.11664	1.1
149.13208	4.1
153.09102	2.1
157.10081	1.5
159.11649	5.2
167.14301	1.2
177.12779	6.2
189.11189	8.2
195.13809	42.1
196.14201	1.0
213.14845	92.9
214.15158	1.7
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	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03936	3.0
55.01878	14.9
55.05514	83.0
56.96557	1.9
57.03423	3.3
57.07062	2.1
59.05001	2.4
61.35085	0.9
64.74304	0.9
67.05508	31.8
69.03428	9.1
69.06725	1.2
69.07076	14.5
69.89180	2.1
69.89576	2.0
70.06586	1.5
71.04996	72.3
72.08143	3.2
79.05061	1.6
79.05499	26.3
81.03418	3.0
81.07059	35.7
83.04990	6.9
83.08620	50.2
85.02885	3.0
85.06548	7.2
86.09707	5.1
87.04476	10.2
91.05486	9.6
93.06470	1.4
93.07049	22.6
95.04962	2.6
95.08609	15.3
97.02892	0.9
97.06536	100.0
97.10172	68.2
97.12267	0.9
98.06896	1.0
98.97546	2.5
99.04449	1.5
99.08090	2.1
101.05991	1.2
101.09661	2.6
103.05495	1.0
105.07027	5.8
106.48353	0.9
107.04965	6.1
107.08595	26.3
109.02891	1.6
109.06522	2.4
109.10158	16.0
111.08087	5.8
115.05448	1.0
116.98621	1.8
117.07020	5.8
119.08591	2.7
121.06519	2.2
121.10156	5.5
123.04411	1.2
125.09635	44.8
127.03896	3.2
127.07540	1.1
131.08563	4.9
131.60934	0.8
133.10152	5.9
134.99651	2.2
135.08058	7.8
135.11688	7.4
137.13216	1.3
142.07870	1.0
143.10652	1.8
147.11694	1.8
148.97348	3.1
149.09534	1.4
149.13281	7.0
151.11125	0.8
153.09085	2.3
155.08310	1.0
157.10077	1.2
159.11699	5.7
163.07530	2.8
167.07054	9.9
167.14264	1.7
171.11624	1.1
177.00681	1.5
177.12766	9.5
177.16364	4.2
181.35640	1.0
185.13458	1.1
189.11201	8.6
192.83345	0.8
195.13814	39.4
213.09149	2.2
213.14853	95.8
214.10625	1.4
214.15271	2.5
218.21909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03951	3.5
54.41557	3.0
55.01859	17.0
55.05259	5.4
55.05511	76.5
56.96567	64.6
57.03422	8.3
57.07073	4.6
57.17948	2.9
61.02897	4.3
61.94690	3.3
65.03953	3.9
67.05504	37.6
68.99809	3.6
69.03434	29.1
69.07057	23.8
69.56899	5.7
69.57304	20.5
70.06584	5.3
71.04990	69.3
71.95273	4.0
72.08169	5.1
73.02909	8.2
79.05497	37.3
81.03414	18.6
81.07057	49.2
83.04976	10.7
83.08608	45.7
84.96029	7.2
85.02896	16.0
85.06539	24.8
86.09702	9.5
87.04465	15.3
88.07576	4.4
91.05470	20.9
93.07051	34.4
95.04973	17.9
95.08595	25.0
96.36347	3.0
97.02882	25.1
97.06531	100.0
97.10163	58.2
98.97582	52.4
99.04442	7.5
101.67682	3.4
103.05466	6.5
105.07033	28.3
107.04950	55.7
107.08593	38.8
109.02886	15.1
109.06530	21.2
109.10165	23.3
110.03705	3.7
111.05578	3.1
111.08085	8.9
115.05426	7.8
116.98620	51.6
117.06995	6.7
119.08598	20.9
121.06519	4.8
121.10145	23.0
123.04446	10.9
123.08069	14.6
123.11713	3.5
125.05981	4.2
125.09624	41.5
127.03893	15.6
128.02347	3.4
128.06187	4.4
128.98595	11.4
129.07019	10.1
130.96320	7.7
131.08569	18.5
132.05186	4.9
133.06424	3.8
133.10123	14.3
134.99646	37.2
135.08057	22.5
135.11679	11.2
141.05690	9.7
141.06973	5.3
142.07791	8.1
143.00232	5.2
143.08577	12.5
145.06511	3.7
145.10144	8.0
146.99641	14.1
147.08015	9.8
147.11639	8.0
148.97372	24.7
149.09569	8.2
149.13197	7.9
150.06172	12.9
151.03906	6.0
151.07536	25.9
152.04744	3.1
153.00713	8.1
156.09367	12.4
157.10126	16.3
158.99664	19.2
159.11688	10.6
161.01254	8.0
162.06194	4.6
163.07568	24.3
163.11162	4.0
166.98340	4.4
167.07039	98.6
170.99678	6.1
171.11678	19.8
177.00716	31.5
177.12766	12.2
185.09657	6.6
185.13347	5.4
189.00761	4.3
189.11266	4.7
189.12733	18.6
189.97508	4.9
190.25426	3.6
195.01787	6.3
195.10190	15.1
195.12064	5.4
195.13786	36.0
204.07269	24.7
204.57343	3.4
207.13852	5.1
213.03931	7.6
213.07564	45.5
213.09488	5.7
213.10881	5.5
213.12866	5.5
213.14845	87.3
213.16493	14.3
213.57970	16.5
214.08430	3.3
219.01921	4.0
222.08327	14.3
224.58592	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.77175	4.3
53.03937	10.8
55.01856	10.5
55.05505	38.3
56.96565	36.4
57.03434	8.8
57.07063	10.9
67.05505	70.7
68.99791	6.9
69.07070	41.1
71.04987	74.8
71.60335	7.8
79.05499	46.2
81.03375	4.6
81.07054	100.0
83.04976	9.7
83.08624	29.4
85.02885	5.9
85.06528	19.2
88.07621	10.8
91.05479	35.7
93.07040	73.3
95.04970	14.2
95.08604	45.9
97.06534	36.9
97.10151	13.0
98.97592	6.4
99.08070	6.2
105.07019	41.6
107.04933	10.3
107.08601	51.2
109.06513	6.5
109.10135	14.2
111.08076	15.6
115.05437	7.2
116.98627	8.2
117.07016	22.8
119.08576	26.5
121.06503	6.4
121.10184	25.0
127.03929	10.9
128.06203	10.9
129.06979	20.2
130.96318	7.6
131.08601	26.8
133.10133	24.2
135.08043	11.3
135.11700	29.4
136.04633	5.7
142.07785	16.8
143.08549	28.2
145.10089	13.0
147.05672	5.6
148.97365	28.3
149.01175	6.2
149.13272	30.1
153.05434	5.6
156.09286	8.1
157.06999	15.1
157.10120	38.1
159.11688	29.6
165.06914	6.7
167.07040	18.7
167.08412	8.0
168.57758	10.6
169.10013	6.4
170.05917	7.0
170.10840	6.0
171.07935	5.1
171.11711	36.9
177.12791	23.9
185.05963	5.6
185.09593	8.4
185.13263	10.8
189.97658	5.9
190.57153	5.9
195.11737	12.9
195.13812	24.7
213.05537	5.9
213.09087	20.7
213.12689	18.8
213.14766	19.7
213.16522	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	1.1
55.05520	0.8
56.96555	4.9
57.03428	0.9
60.08800	0.5
61.02929	0.7
65.03957	0.6
67.05498	1.3
68.30640	0.5
69.03416	2.1
70.06586	2.0
71.04644	1.1
72.08136	0.7
73.02914	0.7
78.04705	2.2
79.05492	8.9
81.03423	1.5
81.07046	1.6
82.61220	0.6
85.02911	3.7
86.09705	2.0
91.05474	4.5
93.07027	2.0
95.04987	2.7
97.02885	2.1
98.97581	23.5
103.05462	7.3
105.07030	8.6
106.04186	1.4
107.04951	55.7
107.08579	3.6
109.06509	1.0
110.97570	0.9
113.98911	0.7
115.05445	4.0
116.98618	17.6
117.07004	1.8
119.04922	0.7
119.08558	2.8
120.05723	2.7
121.06524	1.4
122.03628	0.7
123.04430	5.7
124.05232	3.2
125.05994	1.2
127.03930	1.2
131.04933	1.7
131.08514	1.6
133.06474	1.7
134.99672	5.7
135.04366	0.7
135.08051	17.0
137.05969	0.9
141.05649	1.5
145.06520	0.8
145.07564	1.1
145.10117	2.8
146.99634	1.3
147.04401	0.9
147.11696	3.9
148.97363	1.2
149.09645	1.0
150.56323	0.7
151.03870	2.2
152.04697	2.7
153.01872	1.3
154.06219	2.6
156.09320	1.3
157.01717	0.9
158.99663	8.3
161.01196	0.9
163.07536	26.5
166.81633	0.6
167.07036	100.0
168.07361	1.4
171.11662	0.7
174.10335	0.7
175.02762	1.1
177.00694	12.4
178.01083	0.7
180.07787	2.8
183.06793	1.8
184.05679	1.3
189.12746	2.1
192.07297	1.6
193.06239	2.1
195.01836	1.0
195.10146	13.9
200.02263	0.8
213.07716	1.6
213.11122	2.1
214.06720	4.5
219.01823	1.1
223.06476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03948	0.9
55.01871	0.9
56.11905	0.4
56.38017	0.3
57.03429	0.4
61.18161	0.3
71.27190	0.6
71.27509	0.3
76.72956	0.3
77.07249	0.4
78.04701	2.4
79.05494	6.5
81.07038	0.6
88.19307	0.3
91.05477	4.0
93.07017	0.4
95.04959	2.7
103.05465	7.2
105.04473	0.5
105.07030	5.8
106.04183	1.0
107.04954	57.2
108.05285	0.5
109.02927	0.3
110.03690	0.4
115.05461	3.2
117.07036	1.2
119.04921	0.4
120.05704	2.1
121.06510	1.0
122.03703	0.8
123.04442	6.2
124.05221	3.3
125.06020	1.0
131.04907	2.0
133.06441	0.9
135.04474	0.6
135.08054	14.6
137.06003	1.5
139.03911	0.7
139.07547	0.4
145.07574	1.2
147.04376	0.8
149.05969	0.7
151.03893	1.5
152.04665	1.8
152.16669	0.4
154.06281	2.7
163.07541	25.7
164.08099	0.4
165.05460	0.3
167.07036	100.0
168.07408	1.1
169.08177	0.4
180.07808	3.2
195.10168	15.2
196.10394	0.4
198.06439	0.3
213.11232	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.00590	0.3
55.01870	0.6
56.96554	0.5
65.03941	0.5
67.05504	0.6
69.03423	0.4
70.06589	0.4
70.59425	0.3
71.16774	0.7
77.03922	0.5
78.04711	3.0
79.05489	9.3
81.07063	0.5
91.05479	4.1
92.06242	0.4
93.03386	0.5
93.07037	0.7
95.04951	2.7
96.05766	0.3
103.05460	9.1
105.07027	5.0
106.04166	1.3
107.04951	55.5
107.08576	0.8
108.05285	0.5
109.06543	0.5
111.04440	0.5
115.05447	4.1
117.06998	1.4
119.04935	0.4
120.05693	2.5
121.06477	1.0
122.03654	0.7
123.04426	6.3
124.05224	3.6
125.05966	1.4
127.03895	0.5
131.04887	2.6
133.06470	0.6
134.03583	0.6
135.04507	0.4
135.08044	14.9
137.02252	0.4
137.05972	1.6
139.03915	0.9
145.07610	1.3
147.04408	1.0
148.97328	0.6
149.05997	0.8
151.03897	1.4
152.04666	3.0
154.06172	1.9
163.07536	25.7
164.07913	0.5
165.05458	0.7
167.07033	100.0
168.07422	1.0
180.07803	3.0
181.08572	0.4
195.10152	14.5
207.98828	0.4
213.11159	2.4
231.37592	0.3
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
55.05510	36.2
56.96562	16.5
57.03428	5.8
57.07065	9.1
67.05498	39.3
69.07064	30.2
79.05482	23.5
81.03422	20.1
81.07057	84.7
83.04974	18.7
83.08619	16.7
85.02904	8.4
85.06520	9.8
85.30512	4.5
85.60999	4.4
91.05473	36.1
93.07053	25.1
95.04946	11.6
95.08608	100.0
97.02885	5.3
97.06521	18.5
98.98466	13.9
99.04462	5.3
99.08072	10.1
100.21354	4.6
105.07043	35.4
107.08580	18.8
109.06536	8.6
109.10163	27.3
119.08577	45.0
121.10128	15.1
123.08072	4.8
131.08562	5.8
133.10129	23.1
135.11670	27.2
137.05968	5.7
137.13242	17.5
154.07733	4.8
155.08617	11.2
161.13284	63.0
162.13477	4.7
163.97716	8.8
167.07063	6.9
167.08438	7.2
169.10138	17.1
179.14311	42.9
181.10193	7.7
181.98775	8.2
183.11757	7.3
193.12265	9.3
196.12508	15.8
205.98790	18.6
211.11124	18.3
211.14850	32.6
211.16954	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	5.2
55.01858	4.5
55.05512	29.9
56.96563	16.0
57.03424	7.0
57.07077	9.8
57.07308	1.7
58.56067	1.7
59.04998	15.5
67.05162	2.5
67.05493	23.6
69.03409	7.5
69.06723	2.8
69.07065	39.3
69.32193	16.8
71.04991	75.4
73.75105	1.7
79.05492	21.7
81.03414	24.2
81.07051	62.8
83.04969	13.5
83.08613	25.3
84.96014	2.0
85.02912	3.6
85.06537	11.3
88.14276	1.6
91.05469	17.3
93.07042	48.6
93.67771	1.8
95.04956	16.4
95.08604	68.6
97.02881	2.3
97.06527	26.0
97.10150	6.3
99.04447	10.8
99.08087	13.4
105.03429	2.6
105.07020	26.3
107.04929	2.4
107.08590	49.0
109.06515	11.5
109.10140	30.1
111.04427	2.3
111.08083	5.7
111.11734	2.4
111.53477	2.2
113.09616	6.8
114.25736	1.8
115.07555	12.5
116.00272	2.0
116.98590	3.4
119.08569	37.1
121.10131	29.8
123.04460	3.5
123.08055	14.6
123.11703	81.1
124.12097	2.0
125.09590	6.6
127.07537	7.2
128.98582	2.0
129.06995	3.2
131.08551	4.4
133.06450	2.3
133.10124	37.9
134.99699	2.5
135.11688	100.0
136.11990	2.1
137.05905	2.2
137.09587	11.9
137.13213	5.4
141.02081	1.9
141.09016	2.1
141.12715	7.6
146.99640	2.1
147.11691	12.3
149.13260	12.1
151.07486	3.4
151.11189	2.3
151.14842	2.2
153.12729	19.3
153.70265	2.0
155.08568	4.6
155.10663	8.6
157.10123	4.7
158.75807	2.0
163.97733	4.5
167.07071	4.0
167.08429	1.8
167.14256	2.2
169.10092	6.8
175.11140	2.5
175.14830	55.7
179.07011	5.9
181.10178	2.4
181.98782	3.7
193.12257	9.7
193.15874	19.2
196.08746	3.6
196.12517	3.4
205.98772	8.2
211.07480	4.9
211.11200	4.5
211.13060	4.2
211.14845	10.0
211.16898	75.2
211.20107	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	5.4
55.01863	6.1
55.05511	37.3
56.28280	3.3
56.96558	6.5
57.03422	11.7
57.07053	6.9
59.04984	3.6
62.88629	3.6
64.94960	3.8
66.48511	3.0
67.05508	43.3
67.53269	3.3
69.03407	7.0
69.07056	25.8
70.66737	7.3
71.04995	29.7
73.44276	3.5
79.05489	16.9
81.03392	22.6
81.06643	4.7
81.07063	54.5
83.04993	24.7
83.08603	23.1
83.12991	4.1
85.06535	10.8
85.46967	4.1
88.25028	3.4
91.05494	17.3
91.05968	3.3
93.07043	32.2
95.04961	18.8
95.08608	77.8
97.06554	17.3
97.07076	3.3
97.10162	5.3
99.04451	33.3
99.08082	6.2
99.47867	3.6
100.68548	3.5
105.07018	28.7
107.08586	40.3
109.06503	13.6
109.10147	98.2
111.08079	37.6
113.05975	4.2
113.09627	6.8
115.07550	3.8
119.08593	50.2
121.10134	30.3
123.04456	4.4
123.08069	47.2
123.11723	19.8
125.09595	8.2
127.11168	3.8
129.06970	5.6
131.08444	4.1
133.10130	37.2
135.11681	58.9
137.09612	100.0
137.13223	6.2
138.10358	6.0
141.12839	4.4
147.11633	12.4
149.05884	3.8
149.09599	4.7
149.13252	12.2
151.11156	10.0
151.14824	13.2
155.08571	7.8
157.10095	7.9
165.12740	11.6
167.07083	10.4
169.10088	8.9
175.11198	6.7
175.14812	55.9
188.27760	3.6
193.12180	14.8
193.15894	25.9
211.07549	6.0
211.11269	7.3
211.13045	5.9
211.14819	13.2
211.16895	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
54.42006	0.8
54.75706	0.8
55.05255	1.2
55.05512	16.7
56.96560	2.4
57.03442	1.9
57.07079	4.6
59.04992	3.3
65.03945	0.9
67.05505	30.5
69.03428	11.5
69.06711	1.5
69.07068	18.5
71.04996	6.4
71.08627	2.2
79.05502	6.8
81.03421	3.7
81.06577	1.9
81.07058	35.2
83.04982	14.6
83.08613	13.1
85.02923	0.9
85.06551	5.5
85.10201	1.3
87.08095	1.0
91.05484	7.8
93.07050	14.1
95.04965	4.8
95.08608	41.3
97.06535	3.1
97.10191	4.1
98.20778	2.2
99.08086	5.2
105.07031	11.3
107.08595	28.8
109.06522	11.4
109.10156	100.0
110.10503	1.1
111.08054	4.7
111.11726	1.2
113.09644	2.6
119.08586	26.8
121.10148	12.1
123.08077	17.4
123.11692	10.1
125.09672	1.5
127.11189	0.9
131.08583	1.3
133.10138	21.6
135.11693	73.1
136.12015	1.3
137.05936	0.9
137.09608	16.4
138.10449	1.1
139.11203	2.2
147.11720	2.6
149.13264	5.8
151.11194	11.2
151.14813	11.7
153.12766	3.5
165.12802	1.2
165.16420	2.5
167.07043	3.3
175.11252	1.4
175.14828	22.3
179.07066	1.8
183.11682	0.9
189.00716	0.9
193.08524	1.2
193.12225	2.4
193.15880	16.6
201.24841	0.9
211.07632	1.5
211.14987	1.4
211.16975	2.6
229.21289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.31822	0.5
53.03932	1.1
55.05259	1.0
55.05507	14.9
57.03426	1.0
57.07068	3.5
57.74203	0.5
59.04987	2.6
65.03939	1.3
67.05499	28.7
69.03426	10.2
69.07065	18.1
69.62225	0.5
71.04998	2.8
71.08645	0.8
71.39285	1.1
79.05489	4.8
81.07050	29.6
83.04972	12.3
83.08614	9.9
84.21652	0.6
85.06535	4.7
91.05486	4.2
93.07036	12.7
95.04948	2.7
95.08601	42.6
97.06509	2.1
97.10168	2.8
99.08096	4.2
105.07021	9.2
107.08588	27.6
109.06513	13.6
109.10148	100.0
110.10487	1.3
111.08054	3.3
113.09634	2.2
117.07008	1.0
118.07740	0.6
119.08575	26.6
121.10142	13.4
123.08064	14.6
123.11698	11.1
125.09634	2.0
127.11202	0.8
133.10123	21.6
135.11685	70.8
135.77293	0.6
136.12039	0.7
137.09604	15.3
139.11136	2.8
147.11714	1.8
147.69815	0.6
149.13246	5.7
151.11172	11.4
151.14804	12.1
153.12724	3.0
165.16405	2.3
175.14815	23.3
193.15872	18.3
211.16953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.98989	0.6
55.01878	0.6
55.05511	13.6
57.03437	0.8
57.07081	4.1
59.04992	2.6
59.39872	0.6
65.03945	1.5
66.80589	0.6
67.05508	29.2
67.05872	1.5
69.03429	9.2
69.07072	18.1
69.80413	1.8
69.80842	2.5
69.96573	0.6
71.04992	5.5
71.08626	1.5
75.57200	0.6
77.45474	0.7
79.05488	6.4
81.03365	0.8
81.07059	29.7
83.04990	11.4
83.08617	9.8
85.06537	4.0
91.05492	5.7
93.07051	13.4
95.04989	5.4
95.08609	43.0
96.07435	0.6
96.08957	0.6
97.06527	2.1
97.10181	2.6
98.21443	0.8
99.08091	7.9
105.07024	7.4
107.07854	1.3
107.08594	24.4
109.06520	11.4
109.10159	100.0
110.10461	1.9
111.08082	4.1
113.09642	1.6
116.49349	0.6
119.08589	27.0
121.06530	0.7
121.10144	11.2
122.07293	1.1
123.04447	2.7
123.08068	13.8
123.11704	10.0
125.09622	2.7
127.11217	1.2
131.08554	1.2
131.23755	0.6
133.09111	0.8
133.10133	22.5
135.11697	74.6
136.12013	1.2
137.09622	16.7
139.11209	2.4
147.11766	1.5
149.13246	5.6
151.07515	1.8
151.11192	11.3
151.14838	11.4
153.12810	3.5
155.10670	1.1
165.02934	0.7
165.16397	2.1
172.00735	0.7
175.14830	22.1
179.07079	4.5
193.15904	16.8
211.16931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03937	2.8
53.68981	0.7
55.01872	6.4
55.05508	25.8
56.96558	2.2
57.03439	4.7
57.07075	4.9
59.04996	4.3
60.55617	0.7
65.03948	1.5
67.05502	53.8
69.03423	8.6
69.07065	27.2
69.46098	6.6
71.04990	8.7
71.08624	2.2
73.06553	1.0
79.05490	17.3
80.05039	0.8
81.03413	19.1
81.07054	51.6
83.04975	19.1
83.08135	1.2
83.08615	19.1
85.06539	13.1
90.16473	0.7
91.05471	19.2
91.05998	1.5
93.06458	1.6
93.07039	24.4
94.07366	0.9
95.04969	12.8
95.08603	87.5
96.08951	1.1
97.02889	1.1
97.06526	20.3
97.10165	5.5
98.20770	1.5
98.97603	1.0
99.04473	1.8
99.08088	5.8
101.05992	2.3
103.05476	1.0
105.07024	22.5
107.04913	1.6
107.08594	30.5
109.06509	12.2
109.10151	100.0
110.10497	0.9
111.04443	1.2
111.08076	9.2
113.06017	1.1
113.09638	1.6
115.05473	0.9
115.07562	2.8
116.98632	1.2
117.07014	2.6
119.04897	0.9
119.08574	32.1
119.09431	1.5
121.06509	2.3
121.10142	15.2
123.04442	4.1
123.08062	15.4
123.11700	14.9
125.09634	3.3
127.11169	1.5
129.06998	2.9
131.08545	3.9
133.06488	1.7
133.10129	24.7
135.08015	1.6
135.11688	59.0
136.12082	0.9
137.09616	21.6
137.13249	2.0
139.11200	3.9
142.07849	1.5
145.10136	1.3
147.08008	1.6
147.11684	14.4
149.05981	1.8
149.09619	2.0
149.13232	7.4
151.07561	2.8
151.11183	10.8
151.14810	9.5
153.12753	3.0
157.10164	3.4
163.14838	5.2
165.12692	4.3
165.16367	3.5
167.07056	5.0
167.85336	0.8
169.10057	1.2
169.12257	1.9
175.11270	5.0
175.14821	25.3
176.15199	1.6
179.07028	5.0
179.92024	0.9
181.08592	1.1
181.10049	0.9
181.15846	2.3
183.11716	1.0
193.08530	2.1
193.12238	9.1
193.15871	22.4
196.08817	0.9
196.12354	1.0
211.07535	1.3
211.09494	0.7
211.11375	1.8
211.13303	6.3
211.15073	0.8
211.16907	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	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03933	2.4
55.01862	3.9
55.05509	21.1
56.96553	1.5
57.03417	3.0
57.07067	6.1
57.07321	1.4
59.04996	3.9
67.05502	42.4
68.17068	1.2
68.66290	1.3
69.03439	12.0
69.07063	18.0
69.37572	4.1
69.37988	8.6
71.04984	8.5
79.05487	12.2
81.03416	17.7
81.06571	2.2
81.07056	39.9
83.04984	21.6
83.08627	17.4
85.02888	2.3
85.06547	8.7
91.05473	14.9
93.07040	14.3
95.04980	13.9
95.08606	51.1
96.36172	1.4
96.36788	1.4
97.02858	1.9
97.06522	4.2
97.10153	3.2
99.04451	4.2
99.08089	4.8
105.07024	15.7
106.04261	1.5
107.04936	2.4
107.08582	27.1
109.02974	1.5
109.06517	14.7
109.10153	100.0
110.10484	1.7
111.04439	1.5
111.08046	8.2
113.09660	2.4
119.08579	27.2
121.10133	16.4
123.04420	2.5
123.08060	17.8
123.11699	12.5
125.09632	4.5
129.06985	3.8
131.08572	2.6
133.06461	1.7
133.10130	23.3
135.11693	62.2
137.09616	19.6
139.11145	2.6
143.66222	1.2
147.08018	1.5
147.11679	8.8
149.05991	2.5
149.09552	1.3
149.13246	5.3
151.07578	1.6
151.11194	14.4
151.14807	9.7
153.12811	3.1
155.08568	4.8
157.10124	5.0
165.06967	2.6
165.12782	3.0
167.07034	8.5
169.10100	4.7
175.11203	3.9
175.14799	19.5
179.06992	2.5
181.08612	1.5
181.10161	2.0
183.08049	2.2
193.12210	7.3
193.15872	20.0
196.12566	2.9
205.98816	2.4
211.07643	7.1
211.11385	1.8
211.13208	3.9
211.14857	5.9
211.16991	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	2.3
55.01886	1.8
55.05510	24.0
56.96568	2.8
57.03436	8.1
57.07061	6.4
59.04998	2.9
67.05161	2.9
67.05499	34.9
69.03419	4.2
69.07069	19.1
69.43752	1.4
69.59861	13.4
71.04989	11.9
74.99529	1.6
79.05489	14.1
81.03398	6.4
81.07053	44.2
83.04983	13.6
83.08600	13.9
84.67133	1.5
85.06522	9.8
91.05488	11.7
93.07038	26.8
95.04982	9.9
95.08605	64.2
97.06551	10.2
97.10169	5.1
98.97636	1.9
99.08117	4.2
103.05534	1.9
105.07014	20.4
107.08591	39.6
109.06511	16.6
109.10153	100.0
111.08079	44.5
113.09619	2.8
116.98624	2.3
119.07785	3.3
119.08581	48.1
121.10139	31.5
123.04424	2.8
123.08067	39.9
123.11697	18.1
125.09595	8.3
127.11198	4.7
129.07071	4.1
131.08569	4.2
133.10129	45.8
135.11678	51.4
137.09615	90.9
137.13223	2.9
138.10384	6.6
139.11165	5.2
141.07030	1.5
143.08472	1.8
147.11658	14.3
149.13246	11.1
151.11186	4.4
151.14835	8.2
155.08521	2.9
157.10153	2.1
159.56686	2.1
163.11160	4.0
165.12723	15.0
165.16357	4.2
167.06976	3.3
169.10144	1.8
175.11226	1.9
175.14821	54.4
179.06992	2.7
193.12247	4.1
193.15886	32.2
211.07640	3.0
211.11290	2.3
211.14842	4.3
211.16875	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Crocinervolide
Peak:m/z	Relative Intensity
53.03941	3.1
55.01873	29.9
55.05269	1.6
55.05511	23.5
56.96557	5.9
57.03426	4.8
57.07066	2.7
60.95825	2.6
61.75237	1.6
67.05497	28.0
67.14222	1.7
69.03419	7.8
69.07072	14.6
70.05573	3.9
70.05991	5.5
71.04999	17.0
79.05495	23.3
81.03415	32.9
81.07057	46.1
83.04986	22.4
83.08634	15.8
85.02918	4.5
85.06544	9.1
89.94380	2.0
90.33914	1.9
91.05473	21.4
93.07053	15.1
95.04975	16.6
95.08617	17.8
97.02898	4.3
97.06534	100.0
97.10178	2.8
99.04437	2.9
99.08096	4.2
102.12824	2.4
105.07030	20.5
107.04944	3.0
107.08606	11.3
109.06510	13.8
109.10177	9.2
111.04455	10.8
111.08077	6.7
113.06011	2.6
119.08586	18.8
121.10104	8.8
123.08064	7.3
123.11712	2.4
125.09616	3.3
127.07529	10.3
129.06996	6.6
131.08531	8.5
133.10138	17.4
135.11668	5.5
137.09596	4.3
142.07805	2.2
147.08072	3.3
147.11694	11.1
149.09628	3.6
151.11139	5.4
155.08597	2.3
157.10104	7.2
157.84625	2.0
163.97707	3.9
165.12830	5.9
167.07089	3.9
169.10132	3.1
175.09708	3.5
175.11119	11.9
179.07092	5.4
181.10146	4.1
181.98921	2.3
189.00560	2.9
193.10487	2.3
193.12236	17.2
196.12422	2.2
205.98772	2.9
211.07555	2.2
211.11063	5.3
211.13257	22.6
211.14903	8.1
231.55264	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03956	1.5
55.01871	2.9
55.05510	3.4
56.96579	0.9
57.03436	1.6
57.07090	0.8
59.04999	4.2
61.91462	0.3
65.03925	1.8
66.04716	0.4
67.05502	13.3
68.99801	1.2
69.03435	4.0
69.07066	4.1
69.70961	1.4
69.71376	0.8
70.06600	0.6
71.04993	4.8
77.03959	0.5
78.04703	0.8
79.05486	9.3
80.06299	0.5
81.03413	3.7
81.07058	10.3
81.95388	0.3
83.04975	4.0
83.08617	1.9
85.02914	0.8
85.06532	4.2
87.04474	0.5
91.05476	17.6
93.03421	0.7
93.07043	11.7
94.04220	0.5
95.04968	14.0
95.08601	10.6
97.02872	0.8
97.06532	6.2
98.97597	0.8
99.04482	1.0
99.08106	0.8
103.05458	5.3
105.03386	0.6
105.04515	0.5
105.07029	18.8
106.04199	0.5
107.04961	2.8
107.08595	5.6
108.05741	1.1
109.02885	1.6
109.06512	5.7
109.10153	14.5
110.03664	1.6
111.04462	1.5
111.08076	7.0
113.06003	1.3
115.05486	0.7
116.98635	0.3
117.07012	1.9
118.04177	2.8
119.01918	0.8
119.04946	7.2
119.06110	0.6
119.08575	18.7
120.05731	0.6
121.02875	1.2
121.04047	0.4
121.06501	4.3
121.10150	4.3
122.03638	0.4
122.07310	0.6
123.04424	49.8
123.08047	5.7
123.11698	3.8
124.05194	0.8
125.05968	0.8
125.09600	2.3
127.07524	0.7
129.06985	1.0
131.08578	0.9
133.06470	6.6
133.10123	4.8
134.07265	0.4
134.99622	0.4
135.04414	1.3
135.08058	2.7
135.08934	0.4
135.11665	1.3
136.05225	1.4
137.06001	3.1
137.09610	43.0
138.09998	0.4
140.04619	0.4
142.07774	0.4
145.10095	0.4
146.03564	0.4
147.04399	5.1
147.08093	0.8
147.11690	7.9
148.05180	0.4
149.05992	4.9
149.09583	0.8
150.06769	3.8
151.03906	3.7
151.07536	30.8
151.11159	4.2
152.04602	0.6
152.08025	0.4
153.05412	0.5
153.09087	0.7
155.07059	0.6
155.08524	0.8
157.10104	0.9
161.02939	0.4
161.05949	1.1
161.07121	1.8
161.09517	0.6
163.11200	0.5
163.97682	0.5
165.05501	0.4
165.09103	4.3
165.12766	5.7
166.06213	0.8
167.07048	14.8
168.07755	0.7
169.10107	0.9
169.12248	0.9
171.83176	0.4
175.11185	6.2
175.14803	0.6
179.07028	100.0
180.07440	2.6
181.08630	3.6
181.12231	0.5
193.08609	6.8
193.10338	0.6
193.12250	7.8
198.23167	0.4
205.98746	0.7
211.07794	0.6
211.09674	13.2
211.13226	16.6
211.18710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.01561	0.7
53.03941	4.2
55.01867	6.4
55.05509	40.6
55.05783	2.0
57.03439	6.7
59.04988	1.0
65.03930	1.9
67.05502	29.0
69.03431	9.7
69.06712	1.0
69.07063	10.2
69.66143	5.3
71.04995	5.2
79.05489	31.5
81.03415	100.0
81.07056	35.7
83.04980	45.9
83.08615	30.6
83.09113	1.6
85.02903	1.7
85.06532	2.7
88.53430	0.7
91.05475	29.7
93.07046	17.7
95.04352	1.8
95.04964	35.2
95.08599	12.5
97.02885	3.0
97.06517	3.9
97.10171	8.6
99.08072	1.3
105.07024	24.9
107.04961	8.1
107.08583	7.7
109.06513	6.4
109.10141	3.1
109.51908	0.7
111.04453	2.5
111.08077	12.2
115.05454	1.7
117.07043	1.0
119.04903	0.8
119.08582	18.8
121.06495	2.3
121.10140	5.8
123.08060	2.8
125.09629	1.8
129.06993	12.3
131.08572	10.2
133.06493	4.0
133.10123	10.3
137.09590	1.6
142.07741	3.3
145.10085	1.5
147.08038	3.4
147.11691	14.3
149.09628	6.4
151.24387	0.8
157.10121	15.1
163.11206	1.2
165.12762	3.1
175.11191	16.7
193.12239	36.1
211.13290	15.2
213.43217	0.8
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
52.20291	1.0
53.03936	3.5
55.01854	2.9
55.05506	8.6
56.96561	8.3
57.03429	3.1
57.07048	1.3
65.03919	1.9
67.05495	15.6
69.03423	12.0
69.07061	6.6
69.67218	3.6
69.67643	4.2
71.04996	7.2
73.02901	1.3
75.83636	1.0
78.04716	2.7
79.05061	1.4
79.05489	18.8
81.03406	9.0
81.07054	18.1
83.04996	7.2
83.08611	4.0
84.96049	1.7
85.02881	2.8
85.06526	2.4
87.04463	2.1
91.05476	45.2
93.07040	26.0
95.04960	15.9
95.08602	15.4
97.02884	2.4
97.06526	24.7
98.97585	5.4
99.08057	1.7
103.05450	7.7
105.07029	33.7
106.04147	1.8
107.04993	1.8
107.08597	18.8
109.06521	6.5
109.10155	8.0
111.04400	1.5
111.08067	3.3
113.06018	2.1
115.03989	1.3
115.05468	2.9
116.98583	2.8
117.07016	5.7
119.01848	1.5
119.04993	1.8
119.08577	100.0
121.06497	15.3
121.10139	11.0
123.04413	10.5
123.08036	4.3
123.11733	2.7
124.05182	3.6
125.09624	11.3
127.07490	1.6
128.02304	2.1
128.98584	2.5
129.06961	2.1
131.08540	2.8
133.06464	4.0
133.10085	5.4
134.99652	3.5
135.08064	3.5
135.11688	4.7
137.05969	2.4
137.09613	34.4
142.07811	1.6
145.10158	1.8
146.99529	2.0
147.04462	1.8
147.07999	1.8
147.11682	35.4
147.36711	1.1
149.05984	20.3
149.09511	1.8
151.03859	2.4
151.07545	2.4
151.11194	1.8
155.10651	1.3
157.03366	1.8
157.10080	3.7
158.99597	1.8
161.05965	3.0
162.01756	1.8
163.11148	3.5
163.97597	1.2
165.05542	1.5
165.09120	1.4
165.12752	16.6
166.06255	4.8
167.07037	69.7
175.11188	22.0
177.00697	1.9
179.07027	8.1
180.07835	1.8
181.08598	19.8
181.12241	2.2
183.13721	1.7
185.04904	1.8
189.00687	1.3
193.08549	2.9
193.12253	19.7
196.92471	1.2
203.05925	4.0
211.07544	2.0
211.09612	2.4
211.13159	10.0
211.14954	1.3
229.03880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03932	5.2
55.01871	6.4
55.05508	40.9
56.96565	7.5
57.02730	1.2
57.03435	10.5
57.07076	2.5
59.05000	1.5
59.72877	1.0
65.03946	1.4
67.05503	34.2
69.03429	11.3
69.07069	12.2
70.85570	1.9
71.04994	4.8
73.02903	1.4
73.73656	0.9
75.45626	1.0
79.05492	35.2
80.58836	1.1
81.03419	100.0
81.06579	2.3
81.07056	40.9
83.04981	52.1
83.08616	29.6
85.02903	3.1
85.06552	4.4
91.05482	39.5
93.07052	19.8
93.78698	1.2
95.04358	1.9
95.04968	36.0
95.08604	17.0
97.02907	4.2
97.06503	5.7
97.10179	8.4
97.99181	1.5
99.08110	1.8
103.05532	1.4
105.07030	28.1
107.04951	6.8
107.08597	10.3
109.06522	10.4
109.10181	7.4
111.04430	1.9
111.08076	11.0
113.06049	1.3
116.98611	1.1
117.07055	2.4
119.01854	1.6
119.04939	1.7
119.08577	20.0
121.06521	2.6
121.10143	9.5
123.04456	1.6
123.08078	3.7
123.11696	1.3
125.09644	2.5
129.06995	12.5
131.08571	13.4
133.06497	4.4
133.10126	11.5
134.99634	1.3
135.11714	1.2
137.09648	3.8
142.07822	3.1
145.10141	2.2
147.08063	4.3
147.11676	16.6
147.12770	1.4
149.09608	7.3
151.07567	1.6
151.11205	1.8
155.08542	2.2
157.10136	19.1
163.11238	1.4
163.97725	2.4
165.12737	3.5
169.10136	3.8
175.11169	15.2
179.07072	1.7
181.10072	2.4
181.98814	2.1
183.08142	1.2
183.11589	2.6
193.12244	35.0
193.14095	1.7
193.15964	1.3
196.12469	2.9
205.98796	3.5
211.07732	2.0
211.11310	2.5
211.13315	13.7
211.14909	3.0
227.55917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03939	6.3
55.01859	5.4
55.05515	38.7
56.96294	1.3
56.96570	16.1
57.03444	11.1
59.05014	1.3
61.79899	1.2
65.03947	1.7
67.05173	2.1
67.05509	30.5
69.03438	10.9
69.07071	11.9
71.04977	4.9
71.12050	2.7
71.95258	1.5
77.15544	1.2
79.05493	30.5
81.03423	100.0
81.06577	2.1
81.07059	39.6
83.04987	46.0
83.08624	32.8
85.02913	1.2
85.06544	2.9
91.05483	38.4
93.07049	18.0
95.04974	32.6
95.08057	1.2
95.08616	15.6
97.02879	3.3
97.06519	4.2
97.10165	7.5
99.04439	1.3
99.08100	2.5
105.07041	22.6
107.04974	7.5
107.08600	8.7
109.06525	7.6
109.10152	3.8
111.04458	2.9
111.08094	12.6
113.06014	1.6
115.05451	2.3
117.07014	2.4
119.04960	1.5
119.07791	1.8
119.08588	18.1
121.06501	1.7
121.10152	6.2
123.04378	1.9
123.08078	3.7
123.11717	1.7
125.09611	1.9
129.07011	12.0
131.08560	15.2
133.06503	3.1
133.10136	11.1
135.11726	2.2
137.09627	2.8
142.07742	4.1
145.02327	1.9
145.10068	1.9
145.52644	2.5
147.08052	2.1
147.11700	16.8
148.30942	1.1
149.09598	6.8
151.07674	1.3
154.02872	1.6
157.10127	14.9
159.52402	3.1
165.12759	3.0
167.07135	1.9
169.10080	2.0
171.03168	1.3
173.04955	1.3
175.11200	17.7
179.07059	3.9
188.04175	6.6
193.12251	34.9
196.12596	1.2
197.04741	3.2
199.06430	5.9
201.07968	1.9
201.53458	1.3
211.13290	12.9
211.14812	2.0
217.07451	8.9
219.09021	2.4
229.07495	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03938	6.7
55.01868	12.5
55.05512	30.2
56.96568	32.3
57.03434	9.0
57.07076	7.0
59.04988	3.1
62.79582	2.5
67.05164	4.9
67.05499	55.7
68.59586	3.1
69.03430	11.4
69.07069	29.8
69.96835	6.7
69.97229	8.2
71.04980	12.7
73.02901	3.7
73.42836	2.6
79.05492	37.3
81.03413	33.0
81.07053	100.0
83.04973	28.8
83.08628	21.1
84.89719	2.8
84.96045	3.9
85.02892	5.6
85.06561	6.2
91.05476	56.4
93.07037	24.4
95.04971	24.8
95.08601	35.9
97.06521	22.2
97.10138	4.0
98.97580	3.5
99.04462	7.0
99.08083	8.1
105.07030	51.4
107.04986	4.8
107.08592	19.3
109.06516	19.8
109.09550	2.9
109.10147	17.5
111.08098	7.4
113.05994	5.4
116.98617	4.0
117.06973	4.4
119.01859	6.7
119.08578	43.5
121.10126	23.3
123.04430	6.0
123.08052	11.4
123.11716	27.1
125.09628	7.8
129.07005	14.6
131.08566	13.4
133.10132	42.8
134.99631	5.2
135.11716	9.5
137.09560	6.8
141.06984	5.4
142.07735	4.7
143.08513	3.8
147.08031	4.2
147.11685	74.3
149.09596	8.7
151.11172	12.3
152.87936	3.0
155.07269	3.5
155.08572	8.3
157.10112	24.5
163.34723	2.8
163.97697	6.5
164.26904	3.1
165.05548	3.2
165.12729	19.1
167.07108	6.8
167.08488	2.9
169.10132	13.7
169.40158	3.2
175.11148	23.4
175.14824	7.0
179.06956	7.9
181.10051	6.9
181.98753	3.4
183.11734	7.1
189.04323	4.1
193.12227	24.4
193.15862	4.6
196.12378	12.2
203.06020	4.1
205.98715	4.6
211.07503	11.0
211.09296	3.5
211.11327	6.6
211.13249	13.0
211.15013	21.3
211.16792	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	211.1328
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03941	4.7
55.01869	6.6
55.05510	42.5
56.34918	0.9
56.96565	18.5
57.03440	8.0
57.07062	1.9
59.04996	2.0
65.03937	1.7
67.05505	33.9
69.03425	12.0
69.06718	1.0
69.07068	13.2
69.42545	0.8
69.59227	7.2
71.04993	5.8
71.95251	1.0
72.08136	0.8
73.93642	0.9
79.05492	31.3
79.05952	1.9
81.03416	100.0
81.07056	42.1
82.24486	1.1
83.04979	50.4
83.08133	1.9
83.08617	32.7
84.08968	1.0
85.02901	1.8
85.06532	4.2
91.05481	33.0
92.05801	1.2
93.07041	19.1
93.58013	0.9
93.66150	0.8
95.04969	38.8
95.08033	1.7
95.08596	15.1
97.02879	3.4
97.06532	4.8
97.10176	9.1
98.97581	1.9
99.04449	1.8
99.08097	2.6
101.09675	1.3
103.05499	1.8
105.03376	0.9
105.04470	0.9
105.07030	26.5
107.04955	8.3
107.08589	10.3
109.06531	7.1
109.10152	8.6
111.04427	3.6
111.08084	11.7
113.05966	1.2
115.05482	2.4
116.00144	0.9
116.98565	1.2
117.06984	2.1
117.68526	0.8
119.04936	2.4
119.08577	23.8
121.06494	3.0
121.10131	9.8
123.04402	4.9
123.08064	3.7
123.11711	2.3
125.09629	2.8
125.13550	1.0
128.06195	1.5
128.98665	1.1
129.06995	12.4
131.08563	12.3
133.06476	3.8
133.10132	13.8
134.99683	1.4
135.11685	2.9
137.05954	2.7
137.09578	6.2
137.13208	1.0
141.06953	1.6
142.07794	3.1
145.10118	2.4
147.08047	5.2
147.11691	15.8
149.05902	1.4
149.09604	7.8
151.03951	1.1
151.07558	2.7
151.11223	1.8
153.06885	1.0
155.03815	1.4
155.08540	3.4
157.10114	15.4
161.02948	2.0
165.07036	1.2
165.12766	3.9
167.07024	4.4
167.08377	2.0
169.10190	7.2
170.99818	0.9
171.03273	1.5
173.04941	2.0
175.11182	16.3
179.07056	8.2
181.08687	1.1
181.10143	2.3
181.98814	1.0
182.10957	2.2
183.08044	1.0
183.11644	2.5
185.04913	1.2
193.08588	1.3
193.10405	1.7
193.12244	33.5
196.12549	2.2
199.06377	7.8
201.08009	3.6
202.23415	0.9
203.05856	1.1
203.09470	1.1
205.98775	2.5
211.06117	2.0
211.07797	1.6
211.11060	2.8
211.13255	13.9
211.14874	9.2
217.07481	13.0
219.09006	3.6
229.07497	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	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.65968	0.8
53.03939	5.8
55.01871	5.8
55.05510	43.8
55.05780	2.2
55.64167	0.7
55.64616	0.8
56.96550	1.1
57.03436	8.0
57.07069	1.7
59.04978	1.1
60.06881	0.8
65.03930	2.0
67.05503	30.6
69.03424	10.8
69.07068	11.7
71.04649	1.5
71.04969	5.8
79.05489	32.2
81.03416	100.0
81.07055	36.5
81.07474	0.7
83.04980	52.2
83.08615	31.8
85.02888	1.4
85.06538	3.1
91.05480	31.2
93.07043	17.9
95.04965	33.0
95.08602	11.6
97.02887	3.0
97.06536	5.0
97.10175	7.1
99.08086	1.9
105.07027	23.9
107.04955	7.0
107.08582	10.2
109.06520	6.2
109.10149	3.2
111.04425	3.1
111.08071	11.8
115.05461	2.8
117.07047	1.5
119.04936	0.9
119.08572	21.6
121.06463	1.1
121.10144	7.5
122.68042	0.9
123.08053	4.4
123.11713	1.1
125.09645	1.9
128.06140	1.0
129.07004	12.1
131.08563	11.8
133.06479	3.8
133.10130	11.8
135.11687	1.3
137.09581	5.1
141.06996	1.0
142.07774	3.5
145.10107	1.5
147.08067	4.7
147.11679	13.8
149.09596	7.5
155.08585	0.9
157.10120	13.5
165.12781	2.2
167.50433	0.8
169.10245	0.9
175.11171	14.7
179.07005	1.1
183.11806	0.8
193.10388	1.4
193.12222	34.3
197.73708	0.7
211.07652	1.4
211.11259	1.7
211.13234	14.2
211.14983	1.5
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
51.78318	1.0
53.03951	6.4
55.01648	1.0
55.01874	9.0
55.05512	46.2
56.96576	9.0
57.03441	8.2
57.07078	3.7
59.04998	2.8
61.98587	1.1
65.03924	1.5
67.05505	46.2
69.03433	18.8
69.07066	23.5
69.90768	1.0
70.06590	1.1
70.92545	1.0
71.04997	11.5
71.08630	1.8
71.59833	1.6
73.02921	1.7
75.39668	1.0
76.67918	0.9
77.95570	1.0
79.05058	2.0
79.05494	30.9
81.03419	100.0
81.07059	50.9
82.06602	1.0
83.04982	54.7
83.08138	2.2
83.08620	43.7
85.02895	3.1
85.06547	6.2
90.82968	1.0
91.05480	37.7
93.07042	24.7
95.04972	41.3
95.08604	33.8
97.02885	4.6
97.06516	8.8
97.10167	9.2
98.63396	1.1
98.97588	1.5
99.04455	5.1
99.08083	5.6
105.07028	27.6
107.04948	7.0
107.08594	18.2
109.06523	10.9
109.10156	34.2
111.04437	4.2
111.08087	15.2
113.05973	1.4
113.09634	1.5
115.05431	2.2
116.98611	2.5
117.06999	2.0
119.04955	2.1
119.08580	31.6
121.06507	3.4
121.10133	13.8
121.49349	1.0
123.04428	3.9
123.08064	8.7
123.11668	6.7
125.09631	4.5
129.07007	11.3
131.08578	12.4
133.06487	5.2
133.10124	19.6
134.99623	2.0
135.11682	20.6
137.05977	2.3
137.09619	10.6
137.13377	1.7
141.07001	1.6
142.07771	3.7
145.10080	1.7
146.99654	2.3
147.08064	3.0
147.11684	19.3
149.06007	1.8
149.09641	7.8
149.13229	2.7
150.97328	1.6
151.07593	2.5
151.11139	6.6
151.14848	3.9
153.07045	1.7
154.07713	1.1
155.07114	1.0
155.08531	3.8
155.10638	1.0
157.10117	18.0
163.97720	3.1
165.09129	1.1
165.12755	4.0
167.07056	9.5
168.05695	1.3
169.10179	4.1
170.99554	1.1
175.11185	14.0
175.14804	7.5
179.07094	2.2
181.08588	1.8
181.98874	1.1
182.10918	1.4
193.10355	2.4
193.12247	32.9
193.15855	6.7
199.06364	2.0
205.98819	2.9
211.07553	3.9
211.09413	1.2
211.11198	3.0
211.13293	15.0
211.14896	4.4
211.16972	3.4
219.01860	1.3
229.07483	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	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03948	4.5
55.01619	0.9
55.01871	11.4
55.05505	2.0
56.96561	1.2
57.03427	2.2
58.08776	0.6
62.07663	0.7
65.03936	5.8
67.05502	4.8
69.03427	2.1
69.07037	0.7
70.99835	2.2
71.05002	2.1
77.03915	1.4
78.04716	3.5
79.05056	1.4
79.05489	15.9
81.03410	1.6
81.07047	5.2
83.04996	1.5
85.02901	2.3
85.06545	1.0
91.05477	100.0
92.05802	1.2
93.07040	11.3
94.04192	2.0
95.04959	15.3
95.08608	2.0
95.50645	0.7
97.02879	1.6
97.06509	1.1
98.97585	2.0
103.04793	0.9
103.05471	14.6
105.03390	16.0
105.04496	1.2
105.06291	0.9
105.07021	19.6
106.04160	2.2
107.04954	39.1
107.08598	1.6
108.05779	4.7
109.06517	25.2
109.10165	2.2
111.04444	0.8
115.05470	2.1
116.98650	0.7
118.04163	4.6
119.04939	99.5
119.08560	1.4
120.05245	1.4
121.02912	1.1
121.06503	33.4
122.03649	1.4
122.07336	1.0
123.04433	12.0
123.08067	12.7
124.05177	2.6
125.05995	1.5
129.06992	0.7
131.04915	1.4
132.05658	1.2
133.02803	1.2
133.06491	15.6
133.10123	1.8
134.03632	15.6
135.04404	2.4
135.08038	1.7
136.05154	2.3
137.05978	8.8
137.09586	2.1
147.04405	15.8
149.02336	2.4
149.05977	41.8
149.52409	0.7
150.06345	1.0
151.03932	3.1
151.07535	49.0
152.04666	1.9
152.07921	0.9
154.06189	0.9
155.06622	1.9
161.05971	8.4
161.07184	1.0
163.03929	0.8
165.05493	2.9
165.09050	0.8
165.12775	0.7
166.02675	2.4
166.06264	3.2
167.07034	67.8
168.04175	0.9
168.07365	11.3
179.03455	1.1
179.05450	1.1
179.07033	21.6
180.07524	1.4
181.04961	1.3
181.08578	12.9
182.09244	1.3
183.06509	1.3
183.09662	3.5
187.04391	1.4
193.05023	1.2
193.08595	1.4
193.12285	0.8
196.07286	1.1
211.05968	1.0
211.09668	19.7
211.11351	0.9
211.13150	0.9
217.00401	0.7
229.38321	0.8
232.02713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.83659	1.0
53.03941	6.0
55.01866	7.2
55.05506	43.6
56.96557	6.5
57.03427	9.7
57.07064	1.8
59.04988	2.7
65.03931	2.9
67.05499	38.2
69.03426	14.7
69.07063	15.4
70.03742	0.9
70.07384	1.2
71.03815	1.1
71.04993	8.6
71.44434	0.9
71.45943	1.0
73.02914	1.7
79.05486	33.8
81.03410	100.0
81.07049	49.1
81.29704	1.1
82.03741	1.3
82.07351	1.6
83.00781	1.3
83.04978	49.4
83.08608	35.8
84.96022	1.7
85.02934	1.2
85.06528	6.7
87.04461	1.5
91.05475	58.3
92.01276	1.1
93.07037	28.5
95.04961	44.4
95.08595	22.7
96.08890	1.4
97.02867	3.1
97.05496	1.3
97.06518	7.6
97.10171	6.5
98.21500	3.1
98.97577	5.0
99.04452	1.1
99.08080	3.4
101.05975	1.6
103.05447	2.6
105.07015	29.0
107.04942	8.3
107.08582	17.3
108.04449	1.3
108.08913	1.4
109.02811	1.2
109.06507	8.5
109.09397	1.8
109.10143	12.3
110.06840	2.1
111.04430	3.6
111.08060	14.3
113.05988	1.7
115.05465	2.7
116.98598	3.8
117.06973	1.6
119.04898	2.6
119.08575	28.9
120.08064	3.4
121.06492	3.6
121.10139	14.3
122.10454	1.6
123.04413	3.2
123.08043	8.5
123.10809	2.8
123.11707	4.0
124.08416	1.2
124.56100	1.0
125.09626	4.5
127.01450	1.2
127.07570	1.3
128.98607	1.7
129.06990	14.5
131.00110	1.4
131.08551	14.6
133.06485	5.0
133.10126	15.7
134.99677	2.9
135.08060	1.3
135.11681	4.9
137.09601	14.2
137.13246	1.8
141.42854	1.2
142.07745	2.4
145.10143	2.5
146.99683	2.0
147.08017	3.9
147.11681	21.1
149.01189	1.4
149.05963	1.8
149.09596	9.9
149.13255	2.4
151.07513	3.4
151.10123	1.8
151.11186	3.3
151.13835	1.8
152.11479	3.0
153.11821	4.4
155.08510	2.0
155.10666	1.4
157.10112	16.1
158.99562	1.5
162.99110	1.4
165.09053	1.4
165.12756	9.1
166.13086	3.9
167.07120	7.2
167.08333	2.0
167.13351	17.9
169.10097	3.5
175.11163	16.9
175.14832	4.0
177.00620	2.7
179.07019	7.1
183.11705	1.6
191.14378	1.5
193.08620	1.5
193.12234	34.3
193.14923	1.4
193.15942	2.4
205.98816	2.3
211.07596	2.1
211.11278	2.3
211.13251	15.3
211.16212	5.8
217.06480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.51842	0.3
53.03957	1.1
55.01871	2.4
55.05506	2.2
56.96566	1.9
57.03438	1.7
57.07079	0.4
59.05014	0.5
59.14733	0.3
65.03946	1.6
66.04732	0.5
67.05501	5.7
68.99799	0.8
69.03424	1.6
69.07071	2.3
70.06596	2.8
71.05006	2.0
71.59740	0.4
72.04545	0.5
73.02957	0.4
78.04735	0.5
79.05495	6.4
81.03428	3.2
81.07055	4.4
83.04985	1.9
83.08639	1.3
85.02933	1.1
85.06564	1.1
86.09710	1.6
91.05489	9.9
93.07043	5.2
95.04971	10.4
95.05547	0.7
95.08607	3.9
97.02919	0.8
97.06549	2.5
98.06071	1.4
98.31466	0.3
98.97605	0.8
99.04465	0.7
99.08127	0.6
103.05463	3.9
105.03409	0.9
105.04534	0.3
105.07034	12.0
106.04174	0.6
107.04969	2.6
107.08592	2.6
108.04450	0.4
108.05749	1.2
109.02895	1.1
109.06518	2.7
109.10160	2.7
109.87920	0.4
110.03677	1.9
111.04452	1.3
111.08101	1.7
115.05472	0.9
116.98625	0.7
118.04150	2.5
119.01932	1.2
119.04955	6.3
119.08579	3.8
120.05727	0.6
121.02888	1.6
121.04000	0.5
121.06506	3.5
121.10154	0.9
122.07278	0.6
123.04432	50.7
123.08063	5.1
123.11697	1.2
124.05203	0.4
125.06023	0.7
125.09655	1.0
127.07561	0.3
129.07007	1.0
131.04961	0.3
131.08583	0.5
133.06491	5.0
133.10124	2.3
134.03607	0.3
134.07297	0.5
134.99654	0.6
135.04419	1.2
135.08066	1.3
135.11716	1.2
136.05208	1.4
137.02951	0.5
137.06001	2.8
137.09621	2.2
141.05489	0.7
141.07021	0.3
146.03632	0.6
146.99675	0.4
147.04411	5.1
147.11690	2.2
149.05994	4.2
149.09583	0.6
150.06786	3.2
151.03928	4.2
151.07550	30.3
151.11180	1.4
152.04633	0.6
152.08009	0.6
153.05415	0.4
153.09079	0.5
155.07108	0.4
155.08530	0.8
157.03412	0.7
157.10139	0.7
161.02946	0.5
161.05952	1.7
161.07144	1.4
163.97769	0.7
164.04694	0.6
165.05464	0.9
165.06873	0.4
165.09068	2.5
165.12769	1.3
166.06284	0.7
167.07050	12.4
168.05756	0.3
168.07744	1.1
169.04994	0.4
169.10191	0.5
169.12166	0.4
175.04448	0.4
175.11176	1.4
175.14807	0.6
178.06088	0.4
179.07037	100.0
180.07443	2.5
181.08578	2.8
181.98827	0.4
183.06570	0.5
183.11693	0.6
185.02982	0.5
189.00757	0.4
193.08611	6.6
193.12248	1.9
193.15869	0.5
205.98752	1.2
211.05875	0.7
211.07608	1.0
211.09590	10.9
211.14862	2.5
211.18842	1.0
219.01831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01619	0.9
55.01871	11.4
55.05505	2.0
56.96561	1.2
57.03427	2.2
58.08776	0.6
62.07663	0.7
65.03936	5.8
67.05502	4.8
69.03427	2.1
69.07037	0.7
70.99835	2.2
71.05002	2.1
77.03915	1.4
78.04716	3.5
79.05056	1.4
79.05489	15.9
81.03410	1.6
81.07047	5.2
83.04996	1.5
85.02901	2.3
85.06545	1.0
91.05477	100.0
92.05802	1.2
93.07040	11.3
94.04192	2.0
95.04959	15.3
95.08608	2.0
95.50645	0.7
97.02879	1.6
97.06509	1.1
98.97585	2.0
103.04793	0.9
103.05471	14.6
105.03390	16.0
105.04496	1.2
105.06291	0.9
105.07021	19.6
106.04160	2.2
107.04954	39.1
107.08598	1.6
108.05779	4.7
109.06517	25.2
109.10165	2.2
111.04444	0.8
115.05470	2.1
116.98650	0.7
118.04163	4.6
119.04939	99.5
119.08560	1.4
120.05245	1.4
121.02912	1.1
121.06503	33.4
122.03649	1.4
122.07336	1.0
123.04433	12.0
123.08067	12.7
124.05177	2.6
125.05995	1.5
129.06992	0.7
131.04915	1.4
132.05658	1.2
133.02803	1.2
133.06491	15.6
133.10123	1.8
134.03632	15.6
135.04404	2.4
135.08038	1.7
136.05154	2.3
137.05978	8.8
137.09586	2.1
147.04405	15.8
149.02336	2.4
149.05977	41.8
149.52409	0.7
150.06345	1.0
151.03932	3.1
151.07535	49.0
152.04666	1.9
152.07921	0.9
154.06189	0.9
155.06622	1.9
161.05971	8.4
161.07184	1.0
163.03929	0.8
165.05493	2.9
165.09050	0.8
165.12775	0.7
166.02675	2.4
166.06264	3.2
167.07034	67.8
168.04175	0.9
168.07365	11.3
179.03455	1.1
179.05450	1.1
179.07033	21.6
180.07524	1.4
181.04961	1.3
181.08578	12.9
182.09244	1.3
183.06509	1.3
183.09662	3.5
187.04391	1.4
193.05023	1.2
193.08595	1.4
193.12285	0.8
196.07286	1.1
211.05968	1.0
211.09668	19.7
211.11351	0.9
211.13150	0.9
217.00401	0.7
229.38321	0.8
232.02713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.19949	0.5
55.01865	1.2
56.96546	1.5
57.03429	0.6
63.08678	0.6
65.03934	0.7
67.05501	1.0
69.03407	1.1
71.05028	1.3
73.02905	0.5
78.04702	5.0
79.05491	2.8
79.22157	0.5
81.03426	0.7
81.07022	0.6
83.04972	0.8
85.02923	1.0
91.05478	13.9
93.07047	10.3
95.04972	5.8
95.08642	0.8
97.02891	0.9
97.10427	0.5
98.97594	1.1
103.05462	10.2
105.04479	0.7
105.07025	3.3
106.04185	2.3
107.04957	1.5
109.02882	1.1
109.06480	0.8
109.10148	1.1
115.05494	0.5
116.98560	0.8
118.04214	0.6
119.01830	0.9
119.04958	0.8
121.06499	17.4
123.04427	9.5
124.05183	2.3
133.06482	4.3
135.04376	0.7
137.05917	1.2
146.99586	0.8
149.05980	34.6
150.06384	0.6
151.03899	4.7
152.04675	3.0
161.06003	4.3
163.97731	0.9
165.05455	1.9
166.06242	7.7
167.07037	100.0
168.07379	1.8
180.07806	2.2
181.08592	29.1
183.56628	0.5
193.08623	1.0
205.98792	1.7
211.09610	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	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.5
55.01869	3.2
55.05509	7.1
55.05745	0.6
56.96568	0.9
57.03450	1.5
57.07090	1.1
65.03960	1.5
66.04744	0.7
67.05504	9.2
68.99818	1.5
69.03436	2.7
69.07061	3.1
70.06588	0.7
71.04995	2.9
71.60166	0.6
78.04725	1.0
79.05486	9.2
81.03417	9.7
81.07051	8.5
81.07497	0.5
83.04977	5.6
83.08636	4.4
85.02869	0.8
85.06541	2.8
90.59811	0.4
91.05476	15.4
93.03419	0.7
93.07041	8.2
93.07615	0.5
94.04194	0.5
95.04963	13.4
95.05535	0.7
95.08604	6.0
97.02898	0.8
97.06532	3.5
97.10195	1.0
98.97581	1.4
99.08090	0.9
103.05458	5.3
105.03377	0.5
105.07022	15.4
106.04194	0.6
107.04961	2.8
107.08580	4.0
108.05734	1.1
109.02909	1.7
109.06503	3.1
109.10146	2.7
110.03696	1.8
111.04430	2.5
111.08073	3.0
113.06001	0.7
115.05484	1.3
116.98634	1.2
117.07033	0.6
118.04150	3.4
119.04942	7.6
119.08574	7.5
120.05730	1.0
121.02868	1.5
121.06505	4.7
121.10134	2.1
122.07318	0.6
123.04421	51.2
123.08043	4.7
123.11731	0.9
124.05216	0.9
125.05994	0.9
125.09628	1.3
129.07002	1.8
131.04982	0.4
131.08546	1.4
133.06493	7.4
133.10120	2.8
134.07222	0.5
134.99664	0.9
135.04434	1.6
135.08054	1.6
135.11696	1.4
136.04216	0.4
136.05208	1.8
137.05951	3.2
137.09602	5.0
141.06984	0.5
142.07722	0.6
145.10097	0.7
146.03639	0.6
147.04417	5.3
147.08070	0.5
147.11694	3.4
148.05058	0.7
149.05966	5.5
149.09616	1.0
150.06747	4.5
151.03893	4.1
151.07538	32.5
151.11172	1.1
153.05510	0.5
155.08510	1.1
157.10062	2.1
158.99591	0.4
161.05963	1.3
161.07124	1.7
163.14781	0.5
163.97595	0.4
164.04706	0.6
165.05510	0.7
165.06865	0.5
165.09105	3.8
165.12794	2.5
166.06299	0.9
167.07033	18.9
168.05553	0.5
168.07758	0.8
169.03123	0.4
169.10081	0.8
172.68925	0.4
175.11194	3.0
175.14821	0.7
177.00671	0.7
178.06248	0.9
179.07022	100.0
180.07545	2.0
181.08560	3.6
181.10027	0.7
181.31033	0.4
182.11403	0.4
183.11699	0.7
193.04901	0.4
193.08586	8.6
193.10381	0.7
193.12210	4.7
193.15863	0.6
195.72449	0.4
196.08856	0.6
200.34761	0.4
205.98793	0.6
211.07686	1.0
211.09621	13.0
211.11482	0.8
211.13000	3.2
211.14917	1.0
211.16766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90924	12.7
53.16709	14.5
65.60555	13.8
67.16631	14.5
69.55106	100.0
71.34814	15.0
94.93017	34.2
98.97580	25.5
120.94553	16.6
128.98589	17.9
163.58313	13.2
167.07002	21.9
210.94058	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	211.0964
Annotation	Multifidol
Peak:m/z	Relative Intensity
53.03947	1.3
55.05502	1.6
57.07075	100.0
58.07421	0.7
59.50309	0.8
67.01859	9.7
67.05487	1.4
67.74576	0.7
68.99806	0.7
69.07067	1.7
69.42632	2.7
69.43055	5.2
71.04985	1.9
78.97107	0.8
79.05556	1.0
81.03399	4.8
81.07058	3.1
83.01391	0.9
83.05020	1.1
83.08596	1.2
85.06542	64.2
86.45591	0.7
91.05480	1.3
93.07077	1.5
95.04954	0.9
95.08636	4.1
95.29789	0.8
96.37694	0.8
97.02911	1.4
99.04432	4.6
105.07027	1.4
106.64575	0.8
107.08546	1.0
109.02892	5.0
109.10184	2.0
119.08595	2.3
123.08021	1.0
127.02953	1.4
127.03910	25.8
133.10181	1.4
135.11760	1.7
137.09567	1.6
143.81448	0.9
161.13310	2.2
169.10167	2.5
179.14279	1.3
181.10147	1.5
196.12466	1.4
205.98859	1.0
211.09621	19.2
211.11433	1.4
211.14807	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03959	1.5
55.01872	6.1
55.05511	3.0
56.96570	1.6
57.03439	0.9
57.07076	2.0
59.04997	2.2
65.03930	2.4
67.05505	5.6
69.03429	4.0
69.07064	5.3
70.03957	0.3
70.06583	0.5
70.93639	0.8
71.04996	6.5
71.08649	0.5
75.04475	1.2
75.30592	0.3
78.04724	2.0
79.05495	5.1
81.03439	1.5
81.07057	9.2
81.07505	0.7
83.04978	5.3
83.08640	1.6
84.28989	0.4
85.02917	1.4
85.06540	0.6
86.06055	0.7
89.03938	1.1
91.05479	10.5
93.03410	2.9
93.07045	8.3
95.04971	7.2
95.08607	9.9
97.06532	4.5
99.04446	0.4
99.08108	1.9
103.05455	3.6
105.03374	0.5
105.07026	5.2
106.04174	10.8
107.04973	2.0
107.08597	23.1
109.06525	5.8
109.10157	12.0
111.08081	2.3
113.09666	0.5
117.03371	0.9
117.06990	1.1
117.95973	0.5
119.04945	0.9
119.08596	3.0
120.05714	0.4
121.06507	15.7
121.10146	11.4
123.04418	0.5
123.08090	3.5
123.11717	1.6
124.05219	0.5
125.05989	2.9
125.09635	5.2
131.04965	2.0
131.08565	3.5
133.06496	0.7
133.10138	5.8
134.03607	1.8
135.04428	0.8
135.08051	10.4
135.11682	2.6
135.96950	0.5
137.05980	2.1
137.09567	0.4
138.03157	0.7
139.07506	0.7
139.11165	3.9
143.08609	0.4
145.02843	1.9
145.10101	2.4
147.04410	0.7
147.08011	0.8
147.11684	5.3
148.05180	1.3
148.08862	1.3
149.05981	14.1
149.09631	6.2
149.13260	6.3
151.11182	100.0
152.11526	1.2
153.05496	1.3
153.09128	3.1
158.10921	1.1
162.95935	0.4
162.99156	0.5
163.03885	0.6
163.07521	0.9
163.11182	1.4
163.14833	5.1
164.07011	0.5
166.06274	0.8
166.07672	0.5
167.07106	0.6
167.10657	0.4
167.14317	0.7
173.09718	0.4
173.11929	0.6
173.13274	6.0
173.53966	0.5
177.03995	0.8
177.05455	7.8
181.05081	0.6
181.08632	2.5
181.09972	0.5
186.04420	0.8
187.53833	0.8
191.06964	2.0
191.14308	56.2
192.14626	0.9
193.04968	0.5
206.55899	0.4
209.04448	1.3
209.08081	4.7
209.09767	0.7
209.11623	0.9
209.13474	0.6
209.15344	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05503	1.1
57.07055	3.5
59.30375	1.0
67.05491	4.2
69.03441	1.6
69.07068	1.9
70.17613	4.3
71.04977	2.3
76.90774	0.9
79.05482	4.4
81.07048	5.3
83.04992	1.2
83.08605	1.2
91.05468	3.0
92.00931	0.9
93.07026	3.2
95.04956	3.8
95.08629	4.9
97.06538	1.6
99.08047	1.1
105.07005	3.8
107.08611	5.7
109.06519	100.0
109.10159	9.0
121.06518	1.5
121.10117	4.2
123.08054	10.1
131.08557	4.7
133.10126	2.4
135.07089	1.9
135.08052	19.9
137.94698	1.0
145.10165	1.6
147.11664	1.9
149.09602	3.6
149.13242	1.4
150.10391	2.0
151.11208	5.1
153.09077	4.4
165.12862	1.4
173.13313	6.7
191.14304	19.6
209.15363	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	5.4
55.01871	8.9
55.05508	75.4
56.96558	3.3
57.03429	4.2
57.07067	3.6
59.04991	4.5
62.96119	1.4
65.03938	6.1
67.05498	17.8
69.03413	8.1
69.07073	12.4
71.04980	5.4
71.16802	3.4
75.04488	3.0
78.04719	4.4
79.05486	14.9
81.03413	4.9
81.07060	21.1
83.04974	100.0
83.08622	37.6
85.02905	4.7
85.06536	4.0
89.03889	2.2
90.52341	1.5
91.05476	26.1
93.03395	9.2
93.07037	29.8
93.61104	1.7
95.04964	33.8
95.08607	12.5
97.02899	2.5
97.06527	16.8
97.10149	8.5
98.97588	2.2
99.04464	6.1
99.08083	3.3
103.05463	12.0
105.03376	2.1
105.07046	9.9
106.04169	25.8
107.04964	6.8
107.08585	28.0
109.06509	33.2
109.10139	23.9
111.04417	4.3
111.08096	10.6
113.09664	1.9
115.28317	1.6
116.98605	3.2
117.07047	2.8
118.04150	1.8
119.08573	5.0
120.05709	2.0
121.02969	1.7
121.06490	35.1
121.10133	40.0
123.04386	3.7
123.08057	6.7
123.11687	10.9
125.05974	6.5
125.09616	16.0
131.04930	4.8
131.08574	5.5
133.02791	2.0
133.10118	10.3
134.03630	2.8
135.04414	2.8
135.08043	7.4
135.11726	4.2
137.05954	4.5
137.09555	1.9
138.06726	3.2
139.07538	5.1
145.02818	1.9
145.06419	2.1
145.10118	5.3
147.11676	2.6
148.05183	16.0
149.02318	1.8
149.05975	36.5
149.07101	3.2
149.09579	8.5
149.13252	8.9
151.03966	2.3
151.07576	1.6
151.11179	37.5
153.05472	3.7
153.09077	17.0
160.92165	1.5
162.03156	2.1
163.03989	2.1
163.07553	4.0
163.11205	5.2
163.14809	8.5
166.06265	2.5
167.07037	9.4
167.14310	65.6
173.13243	4.9
177.05450	20.1
181.08595	5.6
191.07071	3.6
191.10692	4.3
191.14272	8.8
194.02104	5.5
194.05740	14.9
209.04468	6.7
209.06248	3.2
209.08090	39.8
209.09532	1.3
209.11787	3.6
209.15353	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.2
55.01874	8.9
55.05515	10.8
56.96566	2.1
57.03434	2.3
57.07073	3.1
59.04995	3.6
65.03918	6.1
67.05511	13.7
67.46073	0.9
69.03429	12.2
69.07070	18.2
70.98170	0.8
70.99993	1.3
71.00308	1.2
71.04998	9.6
75.04475	4.2
78.04699	5.3
79.05494	14.9
80.03461	0.9
81.03442	4.4
81.07059	18.3
83.04987	17.9
83.08632	6.8
84.41633	0.9
85.02909	5.3
85.06543	2.3
89.03922	2.9
89.06031	1.2
91.05482	25.6
93.03407	9.9
93.07039	23.4
94.59734	1.1
95.04967	19.2
95.08611	34.1
97.02932	1.4
97.06538	13.3
97.10159	1.0
99.04451	1.6
99.08115	6.1
100.06011	1.2
103.05475	9.7
105.04504	1.0
105.07033	13.4
106.04182	26.5
107.04971	6.0
107.08595	47.1
108.05780	1.1
109.06527	14.4
109.10155	20.3
111.04438	3.0
111.08075	7.9
112.07452	0.9
113.09655	1.5
117.03395	1.6
117.07016	3.3
119.04937	1.3
119.08586	6.9
121.02922	1.2
121.06507	33.8
121.10149	36.6
122.07314	1.4
123.04453	1.2
123.08067	7.3
123.11697	5.0
124.05238	1.0
125.05992	7.2
125.09624	13.6
131.04953	4.6
131.05809	0.9
131.08574	8.5
133.02873	1.2
133.10130	19.4
134.03622	5.1
135.04443	2.6
135.08051	17.6
135.11676	7.4
137.05975	4.5
137.09610	3.5
139.07547	4.3
139.11177	5.9
143.08571	3.0
145.02925	2.6
145.10161	5.0
147.04440	2.0
147.08107	2.1
147.11691	9.0
148.05203	3.2
148.08855	1.4
149.05988	36.1
149.09624	17.4
149.13264	22.4
151.03908	1.0
151.07567	2.8
151.11186	100.0
152.11505	1.4
153.05498	2.8
153.06950	0.9
153.09103	9.3
158.10934	4.6
159.04478	1.5
163.07550	4.3
163.11203	3.7
163.14821	8.9
165.12729	7.4
166.06259	1.0
167.07031	2.2
167.10739	1.7
167.14348	3.9
173.09747	1.7
173.13275	15.8
177.05463	15.6
179.07169	0.9
181.04996	1.8
181.08624	6.1
181.10062	1.5
191.07024	3.1
191.10709	2.8
191.14313	47.6
194.02066	1.0
209.04483	2.8
209.08109	7.7
209.09834	2.0
209.11732	2.4
209.15372	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03925	2.3
55.05494	3.6
57.07062	2.4
59.04981	1.6
62.10136	0.8
65.03945	1.1
67.05499	7.0
68.47381	0.7
69.03423	14.3
69.07069	8.5
70.45620	2.9
71.04988	3.9
79.05492	5.6
81.03416	11.6
81.07051	10.5
83.04964	6.0
83.08608	2.0
91.05474	4.6
92.57444	0.7
93.07018	7.3
95.04964	9.8
95.08600	15.6
97.06530	2.6
98.20856	1.1
99.08070	2.3
103.05482	1.3
105.07021	7.0
107.08583	19.3
109.06511	14.1
109.10151	5.5
111.08051	1.9
113.09669	0.8
119.08561	5.5
121.06496	2.7
121.10142	22.0
123.08061	15.6
123.11703	9.8
125.09624	3.2
131.08521	2.2
133.10110	4.0
135.08012	5.1
135.11646	3.0
137.09604	2.1
137.13214	2.1
139.11174	1.7
145.10110	1.9
147.11691	5.5
149.09619	14.1
149.13257	11.2
151.11168	25.8
158.10983	1.1
163.14807	2.6
165.12744	100.0
173.13261	4.4
191.14305	12.3
209.15356	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.87178	0.4
55.01861	1.7
55.05516	1.8
56.96552	0.8
57.03421	1.1
57.07070	4.7
59.05008	0.5
65.03941	0.6
65.25777	0.4
67.05503	4.0
69.03419	1.0
69.07075	2.6
70.66431	1.1
71.04996	1.9
71.05312	0.3
75.04487	0.5
75.78252	0.5
79.05492	5.0
81.07060	6.2
83.04966	1.4
83.08614	1.4
85.06533	1.0
91.05478	5.1
93.07040	4.7
93.67180	0.3
95.04978	4.4
95.08607	5.5
97.06533	1.3
99.04431	0.5
99.62390	0.3
103.05444	0.7
105.07028	4.2
106.04175	1.1
107.04961	0.6
107.07870	0.7
107.08594	15.4
109.06513	100.0
109.10155	6.6
110.06854	1.0
111.08080	1.3
115.05456	0.4
117.07007	1.1
119.05952	0.4
119.08581	1.4
121.06504	1.4
121.10142	3.0
123.08059	8.4
125.06030	0.5
125.09612	0.8
131.04936	0.6
131.08562	5.0
133.06541	0.5
133.09253	0.4
133.10092	2.5
135.08049	32.2
135.11659	0.7
143.08546	0.7
145.10141	1.6
147.11696	1.1
148.08786	0.5
149.02377	0.5
149.05969	1.5
149.09615	3.4
149.13280	1.1
150.10429	1.1
151.11194	1.5
153.09108	4.0
158.10890	1.4
161.09647	0.6
163.11148	0.5
164.23203	0.4
165.12721	1.5
166.07803	0.5
168.48627	0.4
173.13268	6.0
176.12035	0.5
177.05489	1.2
181.08574	0.5
191.14296	16.9
209.04451	1.7
209.07991	0.4
209.09828	0.5
209.11635	0.6
209.13483	0.5
209.15353	10.7
209.17363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01877	2.2
55.05255	2.1
55.05507	24.4
56.20523	1.0
57.03432	2.3
57.07077	6.1
59.05005	2.0
67.05515	6.4
69.03430	3.7
69.07056	6.6
71.04990	3.1
71.49693	2.2
79.05491	8.5
81.07056	13.1
81.19535	1.2
83.04977	59.1
83.08624	10.1
85.06544	2.2
87.04420	1.2
91.05479	5.3
93.07055	12.9
95.04965	38.7
95.08607	11.5
97.06537	13.8
97.10146	1.9
99.04451	8.2
99.08065	2.3
101.06062	1.3
105.07027	6.4
106.04188	1.5
107.08587	19.3
109.06512	100.0
109.10157	21.5
111.08070	8.6
113.06032	1.8
113.09670	2.1
119.08593	4.1
121.06466	2.1
121.10140	20.0
123.08046	7.5
123.11676	5.7
124.51663	1.3
125.09641	11.1
131.08600	6.4
133.10123	15.1
135.08046	18.6
135.11676	3.7
143.08516	1.8
145.10107	3.0
147.11661	1.9
149.06007	3.2
149.09602	8.5
149.13258	13.2
150.10385	1.3
151.11176	14.1
153.09100	24.6
163.14836	4.0
167.14310	22.0
168.89101	1.1
173.13303	9.3
177.05481	1.4
191.14311	23.4
209.15367	34.5
209.17363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	0.7
55.01863	1.7
55.05506	1.2
56.96562	1.1
57.03419	0.5
57.07075	5.8
57.15162	0.5
60.95823	0.5
67.05501	3.7
69.03425	1.1
69.07059	2.2
70.73664	1.4
71.04989	1.8
75.77116	0.5
79.05496	3.6
81.03380	0.7
81.07058	7.6
83.04980	1.6
83.08628	1.0
85.02914	0.7
85.06551	0.6
91.05479	3.5
93.07045	4.6
95.04965	3.7
95.08608	6.2
97.06490	1.1
99.04473	0.5
99.08061	0.7
105.07020	3.7
106.04222	0.5
106.91127	0.6
107.08585	5.8
109.06513	100.0
109.10152	5.5
110.06860	1.1
111.08060	1.1
115.05434	0.7
117.07024	0.9
119.08571	1.3
121.06480	1.6
121.10133	3.1
123.08056	10.0
125.09631	1.3
131.08574	4.0
133.10109	2.0
135.08046	19.0
135.11638	0.8
136.08804	0.5
145.10136	1.6
145.90045	0.5
147.08069	0.8
147.11667	1.1
149.05988	1.6
149.09627	4.0
149.13246	2.0
150.10400	1.5
151.11182	3.0
153.09108	5.6
158.10876	0.6
161.09665	0.8
163.11172	0.5
163.14871	0.9
165.12749	0.9
167.14233	0.8
173.13264	5.1
176.11992	0.7
177.05443	1.0
191.14296	20.7
209.04483	0.8
209.08002	0.6
209.11623	0.8
209.13458	0.6
209.15369	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01860	2.5
55.05505	3.0
56.96568	0.6
57.07076	5.0
67.05495	4.3
67.97309	0.6
69.03445	1.0
69.07065	4.4
71.04983	3.0
71.12070	1.3
71.12408	0.6
76.69571	0.6
79.05492	5.4
81.07052	7.8
83.04977	2.7
83.08603	1.9
85.06557	1.4
91.05472	5.8
93.03429	0.8
93.07052	5.8
95.04970	9.1
95.08601	6.1
97.06539	2.4
97.10162	0.8
103.05450	1.5
105.07028	4.4
106.04159	2.3
107.04990	0.8
107.08591	9.1
109.06515	100.0
109.10155	9.4
110.06865	0.9
111.08060	1.6
117.07001	1.5
119.08588	2.3
121.06543	3.9
121.10136	4.8
121.42176	0.7
122.81470	0.7
123.08061	10.6
123.11725	1.2
125.06009	1.5
129.07045	0.8
131.08566	5.4
133.10175	3.7
135.08054	23.3
135.11682	1.2
139.07571	0.8
145.02740	0.7
145.10121	2.6
147.11723	2.1
149.05959	3.6
149.09607	5.1
149.13245	1.7
150.10388	1.6
151.11211	2.3
153.09045	4.5
158.10861	1.2
161.09653	1.1
163.11183	1.3
163.14850	1.0
165.06917	0.7
165.12740	6.0
173.13280	5.1
177.05479	2.5
181.08528	1.0
190.82625	0.6
191.12650	0.6
191.14291	16.9
209.04414	0.7
209.08020	1.4
209.11746	1.1
209.15359	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.4
55.01875	10.6
55.05513	8.0
56.96560	4.9
57.03424	2.1
57.07074	4.1
59.04995	2.4
63.35789	0.7
65.03942	4.3
65.04227	0.6
67.05505	11.7
68.99767	0.9
69.03432	17.7
69.07072	8.7
71.05001	6.1
71.08630	2.8
71.59898	1.1
75.04478	2.7
75.87482	0.8
78.04705	3.3
79.05491	12.0
81.03418	13.9
81.07059	16.8
83.04981	9.1
83.08614	3.0
84.96058	1.0
85.02903	2.6
85.06547	1.9
86.95495	0.6
89.03924	2.5
89.06014	1.0
91.05479	21.6
93.03407	6.5
93.07045	20.1
95.04972	20.4
95.05463	0.4
95.08611	16.4
97.02872	1.0
97.06536	6.9
97.10167	1.1
98.97587	8.6
99.04455	2.1
99.08112	4.0
103.05482	8.1
105.03365	1.6
105.07031	11.0
106.04173	17.2
107.04977	5.1
107.08595	27.3
108.05809	0.7
109.06519	21.1
109.10149	6.4
110.07257	1.1
111.04451	2.0
111.08086	3.5
111.79370	0.7
112.99107	0.9
116.98630	7.3
117.03368	1.7
117.07033	2.9
118.04195	0.9
119.01869	0.9
119.04946	2.3
119.08576	10.7
120.05676	1.0
121.02851	0.6
121.06509	28.6
121.10143	20.3
121.11012	1.1
122.01406	0.7
122.07204	1.1
123.04465	1.4
123.08068	14.9
123.11702	8.6
125.05987	7.0
125.09624	2.9
126.01073	8.5
131.00163	2.6
131.04948	3.4
131.08562	4.9
133.10092	5.5
134.03610	4.0
134.99673	6.9
135.04413	2.0
135.08058	7.6
135.11664	5.0
136.08781	0.7
137.05983	4.2
137.09619	5.0
137.13268	2.5
138.06741	1.1
139.07529	2.5
145.02849	3.6
145.06471	1.0
145.10152	6.6
146.05989	1.2
146.99638	1.0
147.04433	1.5
147.06328	3.5
147.08098	0.7
147.11705	5.7
148.05203	3.4
149.01208	4.8
149.02264	1.5
149.05983	24.7
149.09615	23.1
149.13255	10.9
151.03897	1.6
151.07504	2.5
151.08646	0.7
151.11180	10.6
153.05473	3.1
153.09081	6.9
158.10973	0.9
158.99623	3.4
162.99149	1.8
163.03958	1.2
163.07545	3.3
163.11205	8.3
163.14873	3.1
165.05583	0.7
165.07004	2.1
165.12758	100.0
166.06346	1.2
166.07762	2.9
166.12956	1.1
167.06979	1.9
167.10739	1.0
167.14305	2.0
173.01251	4.4
173.09604	1.1
173.13300	4.0
176.04752	0.9
177.00729	8.7
177.05482	16.0
178.98582	0.7
179.08340	0.7
181.04955	1.6
181.08595	5.5
181.10144	1.6
181.12088	0.8
191.02278	5.9
191.07079	4.5
191.10683	4.8
191.14296	8.9
193.05049	0.7
194.02180	0.9
194.05739	0.9
194.07405	0.8
200.02454	0.7
201.00644	1.1
202.98683	2.3
209.04428	3.4
209.07959	10.3
209.09717	3.1
209.11719	6.0
209.15369	58.4
210.15662	1.1
219.01828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.88379	0.9
53.03939	4.8
55.01871	30.7
55.05262	1.4
55.05510	22.0
56.96562	5.9
57.03422	4.4
57.07076	5.7
59.04995	2.6
64.70741	0.9
65.03950	9.6
67.01832	0.9
67.05501	59.2
68.99779	1.5
69.03429	32.8
69.06720	1.1
69.07066	15.8
70.06574	1.1
70.36776	2.3
70.37184	2.0
71.04990	14.4
75.04467	1.6
77.03930	1.6
78.04696	4.5
79.05491	48.2
81.03407	5.1
81.07056	41.6
82.72900	0.9
83.01333	2.2
83.04978	15.8
83.08624	7.7
84.08132	1.4
85.02899	2.4
85.06542	12.1
87.04453	2.2
89.03902	4.3
91.05476	42.8
92.05769	1.1
93.03416	5.8
93.07041	72.9
95.04967	53.9
95.08052	1.7
95.08604	19.5
97.02870	1.9
97.06526	22.6
98.97568	1.3
99.04451	15.8
99.08078	4.3
101.06004	2.2
103.05460	15.2
105.03357	2.1
105.04486	1.2
105.07028	45.8
106.04189	12.4
107.04964	13.5
107.08592	100.0
109.02864	1.3
109.06509	34.2
109.10162	12.8
111.04411	3.2
111.08083	6.0
113.06011	5.9
115.03915	1.1
115.05444	2.2
117.03328	3.5
117.07010	12.3
118.04123	1.3
119.04904	3.2
119.06031	1.4
119.08575	25.1
120.05698	2.4
121.06500	48.1
121.10139	51.8
123.04404	1.6
123.08105	10.5
123.11675	4.0
124.05151	1.2
125.05999	10.4
125.09642	8.9
127.07553	2.0
127.38852	0.9
128.06148	1.2
129.06982	1.4
130.07773	5.1
131.04918	6.8
131.08582	12.9
133.02852	1.9
133.06456	2.1
133.10123	11.4
134.01254	1.1
134.03598	4.7
135.04391	4.2
135.08054	23.5
135.11691	25.4
137.05962	4.1
137.09593	3.7
138.03065	2.1
138.06740	1.2
139.07523	4.7
139.11176	3.1
143.08522	3.4
145.02852	6.8
145.10112	50.6
146.10422	1.2
147.04407	2.9
147.08035	2.3
147.11705	7.1
148.05191	4.4
148.08894	1.5
149.02333	3.7
149.05981	29.6
149.09619	47.1
149.13268	10.3
151.07541	3.4
151.11189	12.8
153.05467	4.9
153.09103	10.8
153.12764	2.4
163.03955	1.8
163.07579	4.7
163.11176	87.5
163.14783	4.6
164.11588	1.5
165.06880	1.1
165.12779	5.4
166.06290	1.6
166.07675	2.0
167.03488	1.4
167.07043	1.6
167.10651	3.0
167.14310	4.5
173.09612	7.8
173.13242	7.9
176.04681	2.9
177.05476	19.9
181.04962	1.7
181.06410	1.5
181.08565	3.1
181.12224	4.5
191.07021	11.8
191.10674	29.4
191.14299	12.6
193.04886	2.7
194.02173	2.1
194.05653	2.5
194.07272	1.3
209.04459	8.4
209.08014	15.7
209.09760	2.8
209.11668	23.9
209.15340	34.7
213.81314	1.0
227.12697	1.0
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
51.02383	2.1
53.03941	9.9
55.01873	100.0
55.05512	36.8
55.93499	2.1
56.96565	30.7
57.03434	11.7
57.07068	5.6
65.03933	13.0
67.05179	2.1
67.05508	31.4
68.99757	2.5
69.03432	26.9
69.07063	20.4
70.06567	2.7
70.75154	3.6
70.75494	4.2
71.04997	19.0
73.02902	4.0
75.04495	3.3
77.03915	2.8
78.04707	8.5
79.05054	4.3
79.05492	53.8
81.03403	12.9
81.07053	37.5
81.29794	1.9
83.01357	2.3
83.04980	33.5
83.08630	10.8
84.96026	6.6
85.02904	13.4
85.06523	5.6
87.04483	3.0
89.03915	15.7
91.05480	76.8
93.03408	14.7
93.07048	58.8
94.04140	2.2
95.04976	46.1
95.08617	21.9
97.06536	22.7
97.10188	6.8
98.97576	35.2
99.04465	7.0
99.08083	5.1
102.04700	2.3
103.05473	48.5
105.03416	4.2
105.04497	3.4
105.07028	34.7
106.04181	45.7
106.07394	2.9
107.04967	31.9
107.08593	53.8
109.02911	3.2
109.06516	29.6
109.10155	12.8
110.03668	3.9
110.07172	4.3
111.04430	13.6
111.08097	11.9
113.06020	2.8
113.09645	7.9
115.05421	4.1
116.98611	30.4
117.03375	22.8
117.07031	10.4
118.04156	10.4
119.01863	3.8
119.04926	10.4
119.08572	15.8
120.05709	6.7
121.06505	96.9
121.10134	37.7
123.04440	8.1
123.08092	10.6
123.11694	7.8
125.05995	24.9
125.09629	31.7
127.03959	2.5
128.02335	8.1
129.05458	2.5
129.07005	6.3
130.04155	4.3
131.00159	6.5
131.04919	24.6
131.08566	56.1
133.02814	4.6
133.10123	9.5
134.03618	14.0
134.99648	26.9
135.04402	14.3
135.08064	16.5
135.11676	14.4
137.02847	3.1
137.06007	11.4
137.09618	5.1
138.03117	7.8
138.06618	2.4
138.38416	2.6
139.07536	8.6
139.11195	2.6
145.02850	33.9
145.05174	2.6
145.06490	4.1
145.10106	29.3
146.99646	5.3
147.04390	16.3
147.08046	7.6
147.11647	5.6
148.05186	16.6
149.01277	12.7
149.02371	3.4
149.05986	94.5
149.09625	87.1
149.13246	10.0
149.38719	2.5
150.06442	3.6
150.10168	3.4
151.03891	5.2
151.07524	4.0
151.11185	18.5
153.05495	22.4
153.09122	22.5
155.08571	3.2
158.99672	10.9
159.04402	6.4
161.01219	3.3
162.01816	3.4
162.03096	2.7
162.99103	4.3
163.03995	11.5
163.07559	25.6
163.11168	24.6
163.14828	8.9
164.04672	4.8
165.05481	6.4
165.09117	9.0
165.12746	2.7
166.06242	7.6
166.07716	4.9
167.07120	14.0
167.10674	6.1
167.14339	12.0
170.05850	2.3
171.02344	2.4
173.01221	7.4
173.09608	8.6
173.13300	6.8
175.06273	2.6
176.04701	7.1
177.00713	23.6
177.05475	98.9
178.05988	3.7
178.98747	2.3
179.06924	3.4
181.04968	29.3
181.08589	16.9
181.09955	3.2
187.06392	2.9
191.02219	16.8
191.07036	44.0
191.10678	30.8
191.14362	20.0
192.07121	2.4
193.04936	3.7
194.02101	3.6
194.05638	4.8
195.01823	2.3
201.00659	2.7
202.98610	5.2
209.04547	17.3
209.08035	65.2
209.09563	5.4
209.11646	39.0
209.15370	62.0
209.17329	3.1
219.01834	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.7
55.01878	7.9
55.05510	7.2
56.96561	3.8
57.03423	2.7
57.07067	1.4
61.02881	1.2
65.03946	2.6
67.05166	1.5
67.05502	21.1
69.03426	5.5
69.07068	13.2
69.60697	2.7
69.61123	4.9
71.04993	19.7
77.03939	1.1
79.05493	43.8
79.05959	2.3
81.03407	2.7
81.07061	12.1
83.04982	14.9
83.08601	1.9
85.02907	3.0
85.06548	5.1
91.05482	30.5
93.03418	1.8
93.06464	2.1
93.07044	36.6
95.04971	16.1
95.08573	5.7
97.02885	1.9
97.06536	9.9
98.20706	2.2
98.97583	3.6
99.04475	2.6
99.08113	1.3
103.05450	3.9
105.07026	25.9
106.04173	2.9
107.04952	32.1
107.08598	42.8
108.08943	1.3
109.02860	1.0
109.06529	9.3
109.10180	2.5
110.07178	3.2
111.04431	4.9
111.08076	1.9
111.35567	0.9
113.06010	1.3
115.05450	1.5
115.81472	1.0
116.06239	1.4
116.98621	3.1
117.07014	9.1
119.08592	17.0
121.06507	32.0
121.10146	31.6
123.04465	5.7
123.08064	4.0
123.11680	1.1
125.05994	13.8
125.09599	3.4
129.06993	6.6
130.07767	3.4
131.00162	1.1
131.04898	2.4
131.08566	78.3
132.08931	1.4
133.10094	2.8
134.07249	1.1
134.99614	1.4
135.04430	1.6
135.08044	5.7
135.11705	8.6
137.05969	2.4
137.09546	1.9
139.07529	3.2
139.11243	1.3
141.05453	2.5
143.06985	1.0
145.06461	3.0
145.10127	44.1
147.04311	1.1
147.08060	11.0
147.11673	3.4
149.01207	1.3
149.06023	10.0
149.09621	100.0
150.09938	1.6
151.07523	1.8
151.11177	3.8
153.05461	7.4
153.06544	0.9
153.09142	1.8
155.08563	1.1
157.47804	0.9
163.07545	6.6
163.11185	34.9
165.09123	17.6
167.07065	6.5
167.10663	12.3
173.09612	11.0
177.00809	1.9
177.05511	4.2
177.09254	1.4
181.04958	3.9
181.08612	4.1
191.02289	2.0
191.07077	1.8
191.10672	57.5
191.14313	3.3
192.11093	1.4
202.98618	1.2
209.04456	2.4
209.08119	5.5
209.11737	72.6
209.15205	10.8
210.12065	1.1
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	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03936	6.2
54.14668	1.2
55.01873	100.0
55.05300	1.6
55.05510	13.9
56.96548	3.6
57.03415	5.7
57.07053	1.7
65.03947	7.1
65.04230	1.4
67.05508	10.8
69.03429	8.1
69.07066	9.0
69.91148	8.0
71.04990	8.8
75.04467	1.6
75.11379	1.2
77.60440	1.2
78.04688	4.9
79.05061	1.7
79.05492	24.0
81.03403	3.3
81.07059	10.7
83.04992	15.7
83.08628	6.8
85.02891	2.0
85.06529	3.0
89.03458	1.7
89.03918	16.0
91.05483	54.8
91.53857	1.3
92.06261	2.0
93.03416	6.2
93.07048	33.9
95.04970	49.6
95.08592	9.0
95.35252	1.4
97.06533	10.4
97.10185	1.8
98.21391	2.0
98.97614	2.6
99.04450	4.3
99.08060	2.2
102.04688	2.9
103.05470	42.1
103.90912	1.3
105.03403	3.5
105.04536	2.7
105.06450	1.6
105.07034	14.5
106.04172	20.5
107.04955	23.7
107.08592	29.0
109.06522	22.8
109.10169	10.3
110.03642	1.8
111.04423	5.3
111.08071	6.0
113.09639	1.3
115.05461	1.6
116.98619	2.6
117.03382	24.0
117.07001	4.2
117.34554	1.2
118.04180	7.6
119.04935	12.4
119.08595	6.8
120.05688	6.1
120.96391	1.2
121.06514	57.3
121.10127	19.5
123.04433	3.7
123.08046	5.4
123.11666	2.7
125.06011	10.4
125.09628	12.3
127.07457	1.8
129.07001	2.9
130.04128	3.8
130.07788	1.8
131.04935	27.0
131.08566	22.7
133.02821	4.3
133.06497	2.0
133.10123	7.8
134.03621	15.1
135.04431	9.4
135.08060	6.9
135.11655	8.9
137.05957	4.0
137.09621	2.8
138.03136	6.6
139.07491	3.6
143.08496	1.6
145.02846	35.5
145.10152	12.8
146.03583	1.7
147.04425	14.4
147.08029	3.2
148.05206	16.5
149.05984	74.1
149.09621	32.4
149.13257	4.9
151.03868	4.9
151.07503	1.9
151.11185	10.4
153.05469	17.4
153.09096	20.0
158.99603	1.5
159.04350	2.9
159.05568	2.3
162.03125	3.6
163.03909	7.5
163.07538	18.8
163.11174	12.3
163.14838	4.0
164.04675	2.6
165.05527	2.4
165.09114	4.5
166.06197	7.5
167.03371	1.9
167.07034	3.9
167.10640	3.3
167.14284	7.1
173.09698	2.9
173.13268	5.6
176.04718	11.4
177.05469	90.3
178.06160	1.7
179.03331	2.0
181.04993	9.9
181.08598	15.1
191.05386	2.8
191.07033	42.8
191.10667	14.9
191.14311	15.7
193.04947	5.6
194.05775	3.3
209.04494	4.5
209.08086	54.2
209.11678	18.5
209.15375	27.1
209.17345	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	209.0804
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03951	6.3
55.01873	100.0
55.05265	2.2
55.05511	34.1
57.03422	3.8
57.07058	2.3
60.05608	1.0
65.03935	8.0
67.05510	6.6
68.22942	1.2
68.99776	1.7
69.03422	4.1
69.07050	5.0
71.04987	2.7
71.60081	1.9
75.04472	2.4
78.04729	6.3
79.05488	11.8
81.03400	2.9
81.07052	7.9
82.06577	16.8
83.04987	9.1
83.08617	22.7
84.08132	2.1
85.02900	4.1
85.06490	1.2
89.03913	15.8
91.05480	51.4
93.03410	7.6
93.07041	27.6
95.04958	24.2
95.08595	5.2
97.06515	6.1
97.10135	1.6
98.09666	2.0
99.04421	3.2
99.08099	1.2
100.07616	1.7
100.11256	42.7
102.04669	2.6
103.05465	45.5
105.03376	4.9
105.04507	2.3
105.07021	6.1
106.04171	25.4
107.04964	13.3
107.08588	9.8
108.70119	1.3
109.02831	1.5
109.06503	7.1
109.10143	5.1
110.03619	2.8
110.06046	6.7
111.04448	8.3
111.08051	2.0
117.03385	20.6
118.04168	10.3
119.04952	13.2
119.08544	3.5
120.05762	6.1
121.02827	2.0
121.06506	57.0
121.10141	7.5
123.04412	2.8
123.08083	3.2
123.11651	3.1
124.05265	1.4
125.06001	8.6
125.09630	4.6
127.08691	3.9
128.07043	4.1
130.04144	4.5
130.95457	1.2
131.04929	22.0
131.08572	3.2
133.02849	5.1
133.06483	1.9
133.10081	3.1
133.74126	1.2
134.03636	16.9
135.04449	6.8
135.08087	5.7
135.11682	2.3
137.05984	4.9
137.09628	1.9
138.03107	7.7
138.06732	1.6
138.37665	1.2
139.07520	3.4
139.08650	5.3
145.02841	35.4
146.03568	2.2
147.04402	14.9
147.11696	1.8
148.05191	16.9
149.05980	72.6
149.09589	6.8
149.13248	4.0
150.89670	1.1
151.03940	8.0
151.07393	1.5
151.11121	6.6
153.05472	21.2
153.06693	1.9
153.09123	7.4
155.39592	1.2
159.04364	2.8
159.05492	2.7
162.03133	3.6
163.03888	8.8
163.07536	15.7
163.11127	2.1
163.14812	2.0
164.04651	2.6
165.05476	2.6
165.12787	2.5
166.06294	8.1
166.07512	1.4
167.03352	1.4
167.06924	2.3
167.14319	4.7
173.06024	2.1
173.13268	2.4
174.12791	1.3
176.04692	8.3
177.05467	92.9
178.06059	1.6
179.03450	1.8
180.07582	1.3
181.04991	5.6
181.08572	16.3
182.15370	7.7
186.05504	1.8
191.07027	45.1
191.10593	1.7
191.14230	6.9
193.05000	5.8
194.01970	1.3
194.05708	5.0
209.04584	2.6
209.08073	56.7
209.11787	3.9
209.15295	14.8
209.16692	8.1
210.14911	1.8
223.23906	1.4
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	Hofmeisterin
Peak:m/z	Relative Intensity
53.03936	7.6
55.01872	29.3
55.05509	19.9
56.96553	4.8
57.03422	5.1
57.07059	6.2
59.04987	3.3
59.87421	1.7
65.03947	14.0
67.05503	50.9
69.03433	10.3
69.07065	25.4
69.47584	1.7
71.05003	10.0
71.59887	2.7
75.04482	9.5
77.03918	2.6
78.04716	12.1
79.05051	2.4
79.05492	30.0
81.03422	9.8
81.07051	26.9
82.04202	1.9
83.04984	16.9
83.08621	12.2
85.02893	12.0
85.06536	4.8
89.03917	11.0
89.06019	4.1
90.27835	1.5
91.05482	60.5
93.03410	23.9
93.07050	52.1
94.04175	1.9
95.04968	63.7
95.08609	22.1
97.06530	19.1
97.10175	4.5
99.04455	5.6
99.08088	5.9
103.05466	25.9
105.03362	3.1
105.04504	4.3
105.07034	17.9
106.04179	73.1
107.04964	11.4
107.08598	38.8
109.06519	19.6
109.10153	17.9
111.04436	5.0
111.08086	6.5
111.11665	2.1
117.03393	7.9
117.07008	6.2
118.04163	2.3
119.04948	5.4
119.08566	14.1
121.06506	85.4
121.09321	2.3
121.10148	43.9
121.11014	2.4
122.07293	4.3
123.04449	4.2
123.08041	7.9
123.11710	6.2
124.05200	3.5
125.05995	25.0
125.09618	10.6
129.07111	1.6
131.04927	10.6
131.08597	8.4
133.09225	2.5
133.10133	27.1
134.03624	13.5
135.04385	5.3
135.08044	16.2
135.11690	14.1
137.05981	13.4
137.09590	17.9
138.05745	2.0
138.06732	5.4
139.07541	9.8
139.11197	4.4
142.23668	2.2
145.02855	10.2
145.10123	20.2
147.04404	5.0
147.11682	8.2
148.05188	8.2
149.05980	100.0
149.09612	28.5
149.13243	13.4
151.03891	3.2
151.07516	5.4
151.11195	16.1
153.05508	11.2
153.09116	18.7
163.03941	3.2
163.07541	8.0
163.11182	20.3
163.14830	4.9
165.05566	2.0
165.06935	3.3
165.12740	5.2
166.06296	3.2
166.07758	3.4
167.07027	2.3
167.14288	9.8
173.09615	2.6
173.13229	6.2
177.05466	49.5
179.08562	3.1
181.04984	3.7
181.08606	17.8
181.10037	3.2
185.97423	2.9
191.07014	9.0
191.10658	8.9
191.14314	16.6
194.02051	2.0
194.05672	2.2
209.04523	9.7
209.08070	27.0
209.09746	3.6
209.11769	7.1
209.13518	2.9
209.15366	55.3
209.19011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
52.45253	1.0
53.03939	1.0
55.01876	8.0
55.05510	5.8
56.96552	3.6
57.03424	1.9
57.07054	2.9
62.91862	1.1
65.03947	2.0
67.05505	5.7
68.99777	1.7
69.03418	3.3
69.07054	3.9
71.01351	1.2
71.04986	2.3
71.59728	1.0
71.60174	1.4
77.14283	1.1
79.05480	8.3
81.03398	2.8
81.07059	8.2
82.94837	1.1
83.04973	3.7
83.08607	1.6
88.37241	1.0
89.03886	1.2
91.05492	9.0
93.07068	7.2
95.04952	4.7
95.08595	6.8
97.02908	1.9
97.06525	4.3
99.08082	1.6
103.05460	11.4
105.07028	10.0
106.04147	4.0
107.04951	14.1
107.07968	1.3
107.08609	12.1
108.10525	1.0
109.06503	4.5
109.10126	3.4
111.04424	1.4
111.08073	2.8
117.03394	1.4
117.06989	2.5
117.95910	1.6
118.96749	1.1
119.08580	3.4
120.05761	1.2
121.06540	8.5
121.10124	5.3
123.04430	1.8
123.08028	1.7
123.11725	1.8
125.05973	2.8
125.09621	4.5
126.18656	1.1
131.04964	5.5
131.08556	2.7
132.05708	2.6
133.06509	2.3
133.10118	2.7
134.03654	1.3
135.08058	17.8
135.11674	2.9
135.97050	2.5
137.06013	1.0
138.06763	1.3
139.07544	13.5
145.02820	2.6
145.06499	1.9
145.10106	2.5
147.11719	2.1
148.05176	5.5
149.05978	9.5
149.09627	10.1
149.13199	2.5
151.11156	6.9
153.05399	1.7
153.09087	3.4
163.07541	85.8
163.11197	2.6
163.14851	1.9
173.13223	2.1
176.04767	2.4
177.05455	8.0
179.08678	1.4
181.04948	1.0
181.08588	25.5
181.10182	1.5
191.07027	100.0
191.14351	6.1
192.07353	1.3
194.10800	1.2
209.04448	4.1
209.08084	65.3
209.11464	2.1
209.13292	3.0
209.15341	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02378	2.0
53.03945	6.0
55.01870	18.3
55.05498	4.6
56.96540	2.5
57.03442	3.8
57.07066	3.1
59.05003	1.2
65.03941	14.3
67.05502	11.7
68.99741	1.1
69.03439	1.7
69.07053	5.6
69.98570	1.2
70.16769	3.6
70.17179	2.5
71.04985	5.0
75.04471	11.0
78.04700	15.8
79.05494	10.9
81.03401	2.3
81.07068	7.6
82.04197	2.0
83.04974	3.6
83.08593	1.9
85.02903	9.8
85.06535	2.2
89.03910	7.8
89.06036	2.9
91.05476	48.5
93.03405	30.0
93.07042	27.9
95.04966	30.5
95.08604	6.7
97.06525	13.9
103.05463	23.4
105.03383	1.7
105.04539	2.4
105.07001	6.2
106.04169	75.5
107.05019	6.2
107.08592	11.3
108.05791	2.3
109.06533	13.8
109.10172	4.7
110.03635	1.9
111.04456	2.9
111.08070	2.2
117.03387	5.4
117.06985	1.5
118.04187	2.9
119.04948	6.6
119.08588	3.7
120.05690	1.5
121.06499	84.2
121.10133	8.7
122.07318	2.4
123.04409	3.7
123.08060	5.5
123.11669	1.5
124.05212	4.7
125.05981	21.8
125.09626	3.8
128.62611	1.2
131.04936	9.0
131.08586	4.1
133.02824	1.9
133.06500	1.8
133.10123	4.6
134.03625	13.7
135.04420	5.3
135.08043	7.3
135.11688	4.4
137.05984	12.3
137.09630	3.7
138.06720	4.7
139.07524	6.7
145.02808	5.8
145.10129	4.7
147.04494	2.7
147.11697	4.0
148.05162	10.0
149.05975	100.0
149.09612	6.7
149.13232	4.7
150.06351	1.4
151.03914	3.0
151.07538	4.7
151.11186	5.2
152.08348	2.2
153.05511	7.6
153.09094	21.5
158.10904	1.5
158.99844	1.3
159.04388	2.5
162.03096	1.8
163.07570	5.3
163.11156	3.0
163.14870	2.1
165.05484	2.1
165.12752	9.7
166.06248	4.4
166.07545	1.2
173.13271	5.1
177.05455	45.4
181.08591	19.5
181.10069	1.4
181.92822	1.1
191.06998	6.8
191.14317	9.1
209.04689	1.5
209.08070	24.2
209.09898	2.2
209.11632	2.4
209.13432	2.2
209.15337	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	209.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
53.57095	3.7
55.01862	16.4
55.05496	14.6
56.96568	29.9
57.03422	3.9
57.07062	12.7
60.95843	5.0
61.02917	7.8
67.05504	11.8
69.03423	9.0
69.07063	10.6
70.55488	7.1
70.55877	10.4
71.04984	4.4
77.00916	4.4
79.05482	11.9
81.03400	11.0
81.07035	17.8
83.04970	10.0
83.08598	6.7
85.02911	5.3
87.63338	3.6
91.05480	12.6
93.07037	12.5
95.04953	10.1
95.08601	12.6
97.06525	7.0
99.04430	5.8
99.08105	4.4
100.02473	12.2
103.05431	10.3
107.04934	7.0
107.08566	21.1
109.06531	14.9
109.10130	6.3
109.67039	4.5
111.08095	4.3
112.15477	4.6
118.03523	9.6
119.01886	8.8
121.06508	11.8
121.10122	15.4
123.97464	5.0
125.05975	5.3
125.09621	13.9
131.01877	8.1
131.08548	10.1
133.10117	5.3
135.08040	10.4
135.11728	5.4
144.99808	13.1
145.02843	4.4
145.10129	6.3
149.05943	11.6
149.09601	25.6
149.13228	6.0
150.07756	3.8
151.11166	17.4
153.05515	5.2
153.09065	6.3
162.99303	4.4
163.00806	4.4
163.07591	6.8
167.12294	4.1
167.14244	4.6
177.05505	14.6
191.00290	5.8
191.07039	6.5
191.14284	13.0
209.04491	17.9
209.07845	7.5
209.09769	7.8
209.11725	4.4
209.15361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02387	0.9
53.03943	8.7
55.01860	1.3
55.05512	8.7
56.50805	1.0
56.96561	4.0
57.07057	1.2
58.69273	0.8
65.03925	2.0
67.05503	27.0
69.03429	1.9
69.07072	7.0
70.43200	3.4
71.04984	3.8
73.06556	1.1
73.47462	0.8
79.05489	51.3
80.95564	0.8
81.03442	2.0
81.06578	1.3
81.07055	25.0
82.07396	0.9
83.04982	4.0
83.08601	2.7
85.02885	1.3
85.06516	3.3
87.04462	1.8
91.05476	59.8
92.05775	1.4
93.07040	100.0
94.07351	1.1
95.04965	23.2
95.08046	1.3
95.08599	15.7
97.06516	1.6
97.10146	1.3
98.21466	1.1
103.05442	1.3
105.04520	2.8
105.07027	32.1
107.04927	1.1
107.08592	12.3
109.06508	5.2
109.10146	1.9
111.08039	1.2
115.96409	2.8
116.97219	1.1
117.07007	6.2
119.04918	2.0
119.08578	21.8
121.06490	3.1
121.10144	4.9
123.08030	6.5
127.07520	1.6
128.06198	2.3
129.07013	10.9
131.08580	1.9
133.06419	1.1
133.10135	6.8
133.97475	2.4
135.08066	1.0
137.05878	1.0
137.09619	1.4
143.08557	6.6
145.10130	10.1
147.04373	2.6
147.08006	3.2
147.11679	61.6
149.09624	4.1
151.07555	1.6
152.55705	0.8
156.09268	1.2
161.01088	1.0
161.09587	3.3
161.13249	10.9
163.03876	2.0
165.12756	2.6
171.11685	19.7
175.03876	2.1
189.12714	13.6
207.06444	6.1
207.09966	1.0
207.13774	26.6
208.14075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0603
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
50.57474	5.1
56.96560	15.6
60.95840	7.0
65.35033	5.3
67.05486	7.0
69.03416	9.6
70.06595	8.6
71.12487	13.7
73.02884	5.4
78.69652	5.2
79.05492	6.1
83.06068	6.5
84.08140	11.9
91.05464	16.5
94.06545	6.9
95.04982	9.5
95.08553	8.1
96.04474	5.8
96.08988	5.8
105.07024	13.1
105.69755	5.0
106.06557	7.5
106.07359	5.5
107.04985	5.3
109.07669	7.9
116.98594	5.6
118.06571	8.1
119.06828	10.5
122.07047	5.3
123.08052	5.4
128.04991	9.6
134.05984	15.4
134.99657	5.1
136.07529	6.6
137.09679	5.4
138.28571	5.1
145.08466	7.0
146.04945	9.5
146.06013	100.0
147.06374	7.1
148.04852	8.1
148.06529	6.1
148.08595	6.6
150.10217	9.0
162.05505	67.6
162.09119	14.1
176.04309	5.8
180.06575	7.0
180.10182	6.8
190.05028	13.3
190.13063	9.3
191.07928	25.1
208.06201	11.7
208.09386	6.6
208.14000	11.5
214.99541	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	2.1
53.03941	6.3
55.01867	2.0
55.05505	7.1
56.01558	0.8
56.96566	1.8
57.03428	1.5
57.07084	1.1
59.04993	1.4
65.03937	3.1
67.05503	27.6
69.03438	2.0
69.07061	8.8
70.54150	1.7
71.04980	3.4
72.67741	0.9
77.03932	2.4
79.05492	40.1
80.05827	0.9
81.03430	1.9
81.06579	1.4
81.07056	24.6
83.04984	3.8
83.08614	2.7
83.17627	0.8
85.02900	1.8
85.06525	3.8
91.05479	58.8
93.07040	100.0
95.04969	17.1
95.08607	19.8
97.06525	3.0
99.08103	1.6
103.05488	1.5
105.04499	2.7
105.07030	34.4
105.74082	0.9
107.04980	1.3
107.08585	15.1
109.06544	5.2
109.10146	4.7
110.27820	0.8
111.08070	1.1
113.06057	1.1
115.96439	2.8
116.97226	1.6
117.07005	5.4
119.04207	0.8
119.04941	5.0
119.08575	23.1
121.02873	0.9
121.06530	3.9
121.10145	6.7
123.08072	13.4
123.11697	2.6
127.07561	1.0
128.06256	1.2
129.07010	8.7
131.08595	2.0
133.06540	2.8
133.10127	10.7
133.97479	2.5
135.11679	1.4
136.05254	0.8
137.06061	1.0
137.09641	2.7
143.08528	5.5
145.10094	9.1
145.10959	0.9
147.04405	3.7
147.08051	3.7
147.11681	59.8
149.02367	2.5
149.09627	6.0
149.13277	10.6
151.07578	3.3
156.09325	1.9
161.02940	1.2
161.09660	4.2
161.13249	11.7
163.11162	1.4
164.04636	1.2
165.09164	1.2
165.12750	1.2
170.17886	0.9
171.11682	17.1
174.10394	1.1
175.03920	5.0
179.07043	2.2
189.12749	14.6
189.16389	7.5
192.04170	1.9
207.06483	6.5
207.09932	1.9
207.13785	23.0
207.17386	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.07308	0.7
53.03933	0.9
55.01871	1.2
55.05495	2.9
56.96292	1.1
56.96566	16.5
57.07061	2.8
59.04988	0.9
60.95813	0.8
65.03931	1.6
67.05505	9.7
69.03419	2.6
69.07066	4.8
71.04983	2.8
73.87409	0.8
79.05501	6.8
81.03383	0.7
81.07058	7.9
83.04980	1.5
85.02885	1.3
85.06531	2.2
91.05480	21.7
93.03374	0.8
93.07050	8.9
95.04956	6.0
95.08609	12.6
97.06532	1.1
103.05466	2.5
105.03355	0.9
105.07030	11.0
107.04942	1.8
107.08600	7.6
108.05745	1.1
109.06523	4.3
109.10136	3.7
111.08086	1.7
111.65518	0.7
115.05429	0.8
115.96446	3.4
116.97234	2.0
117.07035	1.8
118.04187	2.3
119.04957	14.9
119.08595	13.1
121.02834	1.2
121.06516	4.4
121.10132	7.6
121.97561	0.9
122.07288	0.9
123.04437	3.2
123.08064	13.6
123.11681	3.3
124.23374	0.9
125.09591	1.2
128.34259	0.8
129.06995	1.3
131.04939	1.0
131.08563	2.9
133.06488	3.7
133.10112	5.0
133.97450	2.6
135.08044	2.6
135.11705	1.4
136.05228	4.4
137.05954	1.8
137.09608	3.8
143.08568	0.7
145.10115	2.5
145.26389	0.8
146.03624	4.9
147.04407	13.3
147.08051	2.9
147.11705	11.8
149.02325	9.8
149.05995	2.5
149.09607	9.1
151.07536	13.2
155.05408	2.4
155.55605	1.9
156.09282	1.5
159.08043	3.3
161.01212	2.2
161.03008	0.9
161.05975	0.9
161.09615	1.4
161.13239	5.5
163.03914	2.8
163.11169	3.1
164.04692	14.8
164.12044	0.8
165.09114	2.4
165.12762	4.0
165.96602	1.1
166.56233	1.2
167.06375	1.0
171.11691	2.9
173.09590	1.8
174.03120	2.8
174.10382	4.6
174.58194	2.1
175.03926	4.0
175.08704	1.6
175.11203	0.8
177.05510	1.6
177.09196	1.4
179.07040	9.9
183.58704	2.8
183.97527	1.1
184.04558	1.3
184.09224	1.4
186.08920	1.0
187.30345	0.7
189.12744	10.2
189.16376	3.4
191.10712	4.0
192.04170	8.3
192.09622	0.7
192.11444	27.0
207.06529	48.2
207.13800	100.0
207.17311	2.6
208.06723	1.1
208.14114	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01561	0.7
51.02367	1.1
53.03947	6.4
55.01851	2.3
55.05518	7.5
56.96546	2.8
57.07048	1.0
65.03911	2.4
67.05503	28.5
69.03412	1.0
69.06782	0.8
69.07066	9.6
70.46085	3.4
71.04970	3.4
73.06554	1.5
76.22839	1.1
77.03905	1.0
79.05492	46.5
81.03394	2.4
81.07059	30.0
83.05003	4.1
83.08601	3.3
85.02895	1.9
85.06521	3.5
91.05479	58.1
93.07044	100.0
94.07374	1.0
95.04971	21.3
95.08046	1.3
95.08598	15.7
97.06509	2.4
97.10154	2.4
103.05421	1.0
105.04491	2.9
105.07029	36.3
107.04958	1.1
107.08592	15.1
109.06490	6.7
109.10149	4.1
115.96414	3.3
116.97215	2.0
117.07034	4.1
119.04912	1.8
119.08572	20.9
121.06529	3.8
121.10136	6.0
123.08080	9.2
123.11698	1.8
127.07534	1.3
128.06206	1.1
129.07004	9.6
131.08533	2.6
133.06493	1.2
133.10129	9.9
133.97479	3.0
135.08078	1.9
135.11636	1.0
137.09608	1.9
142.04597	1.9
143.08589	6.8
145.10138	10.8
147.04391	1.1
147.08012	3.7
147.11687	55.7
148.12006	1.7
149.09645	4.0
151.05168	1.4
151.07523	2.3
156.09308	0.8
156.99078	1.1
161.01292	1.1
161.09659	4.9
161.13257	11.8
163.03886	1.8
163.11154	1.1
165.12714	2.0
171.10252	1.6
171.11681	23.1
177.16359	1.6
179.14160	1.1
189.12750	15.0
189.16426	4.0
192.09357	4.4
192.11046	0.8
193.10059	1.0
207.06354	2.6
207.09944	1.1
207.11676	4.5
207.13762	26.6
207.17311	4.0
208.14027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.6
55.01864	1.2
55.05509	6.1
57.07061	3.1
59.04993	2.0
62.52103	0.7
65.03929	1.3
67.05505	31.0
69.03437	5.5
69.03740	1.2
69.07053	3.0
71.04965	4.3
72.85607	0.8
74.02744	0.8
79.05505	7.7
81.07065	7.8
83.04970	5.2
83.08608	1.4
84.11481	0.9
85.06550	7.9
91.05470	11.8
93.07049	15.2
95.04978	6.5
95.08607	100.0
96.08938	1.0
97.06534	2.2
105.07029	23.3
107.04967	1.3
107.08595	23.4
109.06519	5.0
109.10172	5.5
111.08054	2.7
113.05988	3.7
116.06206	1.3
117.06973	1.4
119.04951	2.2
119.08576	31.0
120.09352	1.5
121.06493	5.9
121.09312	1.3
121.10148	20.1
123.08072	64.2
123.11714	8.7
130.07816	1.0
131.08578	6.0
133.06476	3.7
133.10110	5.8
135.08052	1.9
135.11673	3.8
137.09622	6.3
137.13228	1.8
139.07510	1.9
143.08531	1.8
145.10106	2.5
147.08046	7.2
147.11687	17.2
149.09619	69.2
150.10034	1.4
151.07539	4.9
151.14819	4.0
153.09155	1.3
156.09354	3.6
157.10001	1.0
159.08095	2.3
159.11653	1.0
160.08815	1.0
161.05978	1.9
161.09637	2.9
161.13252	22.6
163.11176	3.1
164.04637	0.9
165.09148	2.2
165.12755	11.9
171.11684	6.2
174.10416	4.8
179.14290	3.5
189.12749	26.7
190.13135	1.1
207.06503	0.9
207.13800	46.0
208.14301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.49839	0.9
53.03933	2.2
55.05510	6.3
57.03423	1.0
57.07073	4.5
59.04998	1.8
60.99536	1.0
64.83132	0.8
65.03943	1.4
67.05505	31.4
69.03426	4.9
69.07050	3.2
71.04990	2.5
71.19906	1.9
71.20229	1.0
79.05486	5.8
81.07040	7.2
83.04971	3.9
83.08603	1.0
85.02918	1.3
85.06542	10.3
91.05480	11.4
93.07048	14.0
93.66508	0.9
95.04978	4.4
95.08609	100.0
97.06528	1.2
104.07940	1.1
105.07040	19.6
107.08604	18.7
109.06506	5.1
109.10140	2.8
111.08070	2.1
113.06032	4.8
117.06966	1.0
119.08582	29.3
121.06498	5.3
121.10150	15.0
123.08073	66.1
123.11703	6.8
125.09630	1.2
131.08578	5.2
133.06499	1.6
133.10150	6.3
135.08037	1.7
135.11682	4.8
137.09595	4.1
137.13280	1.3
139.07555	2.2
142.28012	1.1
143.08533	1.6
145.06464	1.1
145.10156	2.0
147.08066	5.0
147.11694	10.2
149.09621	38.2
151.07524	2.5
151.14804	5.0
153.09087	1.1
156.09395	1.6
159.08061	1.6
161.05937	2.3
161.09595	3.2
161.13255	19.6
163.11133	2.9
165.09174	2.2
165.12787	10.5
171.11679	3.1
174.10492	4.3
176.51273	1.0
177.76224	1.1
178.63130	1.0
179.14346	2.5
189.09158	1.1
189.12746	18.2
207.13799	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01860	8.3
55.05515	12.5
56.96553	5.0
57.03443	2.3
57.07053	2.7
65.03932	3.0
67.05506	10.2
69.03415	4.5
69.07076	12.6
71.04977	6.9
79.05486	17.1
81.07052	23.8
83.04975	6.8
85.02885	8.7
85.06542	6.1
91.05465	33.1
93.03436	2.4
93.07043	28.1
95.04965	11.1
95.08613	22.8
97.06522	7.0
99.04451	6.3
103.05475	2.7
105.07029	61.9
107.04942	4.8
107.08595	37.3
109.06519	30.2
109.10157	10.9
111.08073	9.1
115.05453	2.8
117.07027	3.8
119.04932	16.9
119.08578	79.0
121.06494	7.7
121.10140	60.4
123.04406	3.6
123.08042	14.6
123.11698	7.3
127.07494	2.4
130.07747	2.1
131.08554	13.0
133.06534	11.6
133.10118	23.5
135.08028	6.2
135.11713	2.5
136.05193	3.7
137.05988	4.0
137.09637	9.6
143.08548	4.1
145.06488	3.5
145.10120	29.6
146.03650	6.0
147.04434	10.4
147.08044	15.5
147.11682	99.9
148.08821	3.8
148.12106	2.2
149.02327	8.6
149.09601	24.2
149.55750	1.9
151.07529	23.2
156.09326	10.6
159.08043	3.3
161.05977	5.8
161.09630	7.7
161.13249	32.6
163.03918	2.9
163.07556	2.9
163.11171	49.2
163.14792	2.7
164.04686	12.2
165.09126	4.0
165.12762	24.9
171.11659	22.7
174.03143	2.4
174.10393	10.3
176.08318	6.3
179.07030	9.2
189.12735	100.0
190.13097	2.8
192.04179	3.2
207.06468	22.2
207.10144	3.8
207.13806	92.5
207.17125	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.0
55.01860	5.2
55.05498	7.2
57.03428	2.6
57.07064	3.9
58.80233	1.5
59.04985	5.0
65.03938	3.0
67.05499	11.0
69.03426	15.1
69.07063	8.0
70.67140	3.2
71.04984	5.2
79.05481	9.9
81.03410	1.9
81.07058	13.0
83.04969	6.0
85.02903	2.2
85.06548	3.4
91.05473	24.4
93.07044	20.8
95.04945	9.3
95.08606	15.6
97.06520	3.7
99.04443	3.0
103.05441	3.2
105.07030	47.0
107.04942	2.7
107.08594	17.6
109.06521	26.6
109.10146	7.2
111.04400	1.7
111.08057	2.6
116.06219	2.3
117.07007	1.9
119.04969	8.2
119.08578	53.8
121.06490	6.4
121.10139	100.0
123.08057	25.3
123.11726	2.2
129.07008	4.7
131.08578	28.1
133.06509	11.9
133.07384	2.5
133.10121	14.5
135.08054	4.3
136.05211	1.9
137.05986	1.9
137.09593	9.7
137.13298	1.9
142.07614	2.0
143.08559	8.6
145.10121	10.9
147.04410	5.4
147.08049	17.7
147.11685	29.1
149.02322	4.2
149.06001	1.8
149.09613	54.2
151.07550	54.9
153.09163	1.8
156.09314	14.8
159.08067	1.9
159.11673	2.6
161.09563	4.0
161.13254	26.0
163.11153	12.8
164.04701	7.6
164.21564	1.6
165.12779	10.9
171.11688	33.1
174.03136	1.7
174.10410	5.6
177.05429	2.4
179.07022	6.3
179.14288	4.7
189.12737	46.9
192.04115	3.2
207.06512	14.6
207.13800	89.7
208.14186	1.9
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
53.03937	1.0
55.01874	0.8
55.05508	3.1
56.43736	0.8
57.07072	2.6
67.05508	6.9
69.03426	4.4
69.07082	1.8
71.04991	1.7
79.05499	5.0
81.03429	1.1
81.07055	15.6
82.27575	0.7
83.04970	1.8
85.02902	100.0
85.06567	0.8
85.65572	0.6
91.05474	11.8
93.07033	5.6
95.04950	2.9
95.08608	7.3
97.02888	0.9
97.06509	1.0
105.07030	14.2
107.04913	1.2
107.08582	8.8
109.06528	4.3
109.10151	14.8
111.04431	1.3
115.05475	1.4
117.07029	2.2
119.04897	3.9
119.08577	13.8
121.06525	2.3
121.09316	1.0
121.10144	11.2
123.08088	4.7
123.11706	60.9
125.05993	10.2
128.06180	1.5
129.06996	2.1
130.07759	0.9
131.08572	3.7
133.06485	1.6
133.10133	2.5
135.08067	0.9
136.05267	1.0
137.05992	1.2
137.09645	1.5
139.07567	0.9
141.05466	2.7
143.08635	2.0
145.10121	4.8
147.04352	2.8
147.08060	9.0
147.11678	14.6
149.02318	0.9
149.09619	16.6
151.07538	5.6
156.09355	3.4
159.08064	1.2
161.05977	2.8
161.09613	2.5
161.13225	2.8
163.11159	1.5
164.04773	1.0
165.09052	0.9
165.12749	3.3
169.08591	1.2
171.11742	2.1
174.10385	1.3
175.03951	1.5
175.07594	1.2
179.07022	2.5
179.14340	1.6
189.09140	1.2
189.12756	10.7
192.04214	1.2
198.61369	0.8
207.06612	3.7
207.10194	3.0
207.13803	40.2
208.14087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.88781	1.8
53.03934	2.8
55.01852	3.7
55.05508	17.4
55.91474	1.7
56.96557	3.6
57.03430	5.3
57.07057	6.1
59.04993	3.7
65.03922	2.6
67.05505	12.4
69.03408	7.4
69.07069	15.9
71.04992	10.0
71.39526	4.4
79.05483	15.6
81.07054	26.7
83.04978	18.4
83.08620	4.9
85.02899	28.3
85.06521	6.4
89.06013	5.1
91.05474	31.7
93.07032	19.7
95.04958	15.1
95.08585	21.9
97.06544	15.0
103.05430	4.6
105.07024	34.4
107.08600	38.7
108.05714	3.1
109.06520	69.5
109.10159	13.4
111.04464	4.2
111.08080	18.3
115.05450	2.6
117.07022	3.9
119.04921	11.7
119.08577	39.8
121.06493	7.8
121.10146	40.1
123.04398	5.4
123.08067	33.2
123.11724	15.8
125.09619	5.6
131.08566	8.5
133.06479	5.5
133.10127	20.4
135.08084	10.7
135.11668	4.8
136.05205	4.2
137.05945	7.9
137.09633	15.8
137.13255	6.9
139.07536	2.9
143.08612	3.3
145.06511	2.7
145.10097	9.8
146.03613	3.3
146.69247	2.1
147.04414	7.4
147.08057	15.9
147.11681	69.3
148.02504	2.6
149.02330	8.0
149.05978	2.9
149.09610	52.1
151.07535	29.0
156.09329	10.8
159.08066	10.7
160.08806	3.4
161.06009	3.0
161.09616	7.8
161.13254	27.5
163.03877	3.8
163.11159	6.9
164.04730	10.5
164.08308	4.3
165.09114	5.5
165.12749	66.4
171.11674	18.2
174.03073	2.7
174.10403	33.4
179.06989	7.3
179.14305	4.3
189.12737	63.9
190.13228	2.2
192.04175	4.6
207.06516	24.3
207.13797	100.0
208.14085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.10744	2.2
53.03946	2.6
53.73674	2.2
54.64530	2.4
55.01871	4.4
55.05516	14.8
56.96563	15.1
57.03431	4.6
57.07061	5.1
59.04985	7.5
60.04516	2.8
61.02897	2.1
65.03924	5.9
67.05222	2.1
67.05505	22.9
68.99778	3.5
69.03430	21.1
69.07062	16.3
69.88065	4.1
69.88443	11.5
70.02946	3.8
71.05004	10.6
73.74485	2.1
79.05491	24.9
80.15844	2.2
81.03406	6.4
81.03883	2.2
81.07059	34.6
83.04951	12.1
83.08592	3.8
85.02912	5.8
85.06528	6.9
87.05602	10.5
91.05477	67.8
93.07053	31.8
95.04970	19.4
95.08050	3.6
95.08614	50.6
97.02903	2.4
97.06515	3.7
97.10165	2.7
98.20806	3.1
98.97591	35.4
99.04455	2.8
103.05463	7.4
105.03384	2.8
105.07034	70.3
107.04952	7.2
107.07869	3.7
107.08595	59.8
108.05711	3.8
109.06514	79.4
109.10185	13.5
111.04450	2.1
111.08081	6.2
115.05445	5.7
116.98618	28.0
117.07004	9.6
118.04133	4.8
119.04947	29.9
119.08580	50.1
120.08085	15.7
121.02855	3.0
121.06522	20.0
121.10150	42.2
123.04417	6.4
123.08075	65.8
123.11700	17.1
124.08513	2.2
125.05968	2.5
125.09605	6.2
128.06206	4.2
129.06976	8.3
130.07742	3.3
131.04927	6.2
131.08580	16.1
133.06494	12.3
133.10127	18.2
134.09587	3.8
134.99680	16.3
135.04411	2.5
135.08066	11.6
135.11678	12.8
136.05183	8.9
136.08826	4.3
137.05954	5.8
137.09616	17.5
137.13252	5.8
143.08514	5.6
144.08066	23.4
145.10152	14.2
146.03615	10.1
146.07219	5.4
146.99596	2.3
147.04407	26.1
147.08026	15.4
147.11696	55.5
148.05136	4.0
149.02344	19.7
149.05995	4.3
149.09625	100.0
151.03978	2.3
151.07541	77.5
151.11200	2.7
156.09355	9.0
158.99649	10.4
159.11674	2.9
161.05983	80.9
161.09587	24.4
161.13263	25.6
162.09123	13.5
163.03928	3.6
163.11203	16.7
164.04691	21.4
165.09088	6.1
165.12794	18.7
171.11697	15.3
174.03098	5.0
174.10338	3.3
175.03923	11.6
175.05270	2.2
177.00696	21.2
177.16422	3.6
178.07846	2.8
179.07021	20.2
179.10576	3.0
179.14380	3.3
181.56577	2.3
189.09113	18.7
189.12753	44.8
189.16402	3.3
192.04184	11.0
198.09029	5.1
207.06532	58.3
207.09660	11.8
207.13799	87.5
207.17230	5.2
208.14201	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.7
55.01867	3.1
55.05518	8.8
56.96561	1.4
57.07066	6.9
59.04989	2.8
65.03931	3.3
67.05172	2.3
67.05506	38.6
69.03429	10.8
69.07074	7.9
70.17191	1.6
71.04598	1.8
71.04964	7.4
79.05488	11.8
81.03407	3.7
81.07059	18.3
83.04963	6.2
83.07047	1.5
83.08610	2.2
85.02934	1.9
85.06531	11.7
91.05482	24.4
93.07033	21.3
95.04984	12.3
95.08607	100.0
95.43871	2.1
97.02915	2.0
97.06538	4.0
99.04424	1.9
103.05437	3.1
105.07039	37.3
107.04936	4.5
107.08588	34.1
109.06519	16.6
109.10148	7.6
111.08053	3.6
113.05974	4.2
117.07022	3.1
118.04163	1.8
119.04961	7.7
119.08578	43.9
121.06495	12.0
121.10146	27.9
123.04438	6.2
123.08065	72.9
123.11715	10.8
129.07033	3.1
131.08554	7.3
133.06458	6.7
133.10138	17.3
135.08049	4.5
135.11679	3.4
136.05148	1.9
136.08827	1.9
137.05989	2.0
137.09610	9.9
137.13222	3.6
139.07530	1.9
143.08517	2.9
145.10129	6.8
146.07144	1.7
147.04431	6.9
147.08015	9.8
147.11694	29.8
148.05164	3.8
149.02333	3.5
149.09622	52.0
151.07544	19.5
151.14830	4.5
156.09341	4.7
159.08102	2.0
159.11708	2.7
161.05991	13.5
161.09651	6.7
161.13254	27.8
163.11220	6.6
164.04686	6.4
165.09151	3.3
165.12759	16.7
168.97849	1.6
171.11723	8.3
174.02991	2.2
174.10364	4.2
175.04025	2.5
176.64131	1.6
179.07045	5.1
179.14319	3.6
189.09116	5.7
189.12752	33.4
192.04182	4.2
202.00792	1.6
207.06509	20.1
207.10451	2.9
207.13809	64.7
207.17366	2.4
208.14049	2.0
213.43622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.0
55.01859	4.5
55.05510	10.8
56.96563	1.3
57.03433	2.1
57.07066	4.6
59.04972	2.2
65.03931	3.0
67.05505	15.5
69.03427	7.6
69.07075	16.9
71.04991	9.0
71.27104	2.9
79.05493	12.0
81.07063	27.8
83.04975	8.3
83.08604	5.4
85.02896	3.2
85.06550	3.9
91.05476	23.7
93.07047	20.3
94.44900	1.7
95.04970	13.5
95.08604	28.0
95.09164	2.7
97.06530	13.8
97.10188	1.5
98.87666	1.4
99.04446	4.2
103.05472	3.2
105.07033	39.6
107.04903	3.3
107.08597	24.3
109.06522	24.7
109.10174	15.6
111.04438	1.7
111.08127	8.4
115.05446	2.3
117.07023	3.7
119.04942	7.9
119.08582	49.8
121.06501	14.6
121.10134	25.4
123.08080	22.9
123.11696	10.3
125.05975	1.6
125.09624	3.4
128.06268	1.9
129.07005	3.0
130.07709	1.5
131.08575	7.7
133.06483	6.6
133.10129	19.3
135.08072	7.9
135.11707	17.6
137.06010	7.1
137.09622	14.7
137.13255	3.4
139.07545	3.5
143.08565	5.4
145.10167	8.8
146.07298	1.6
146.10899	1.6
147.04404	3.7
147.08037	11.8
147.11690	55.7
148.12088	1.5
149.09624	60.0
151.07553	11.4
151.11192	15.1
156.09315	8.7
159.08038	3.2
159.11725	3.1
161.05986	32.4
161.09659	13.1
161.13271	27.6
163.11176	7.9
165.09074	5.6
165.12744	17.1
171.11725	13.1
174.10429	5.6
177.12782	2.0
179.07086	2.3
179.14305	5.4
189.09142	11.0
189.12737	35.1
207.06467	5.5
207.13812	100.0
208.14227	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.5
53.66825	1.1
55.01863	1.9
55.05506	6.2
56.96556	2.4
57.07045	1.5
57.52631	1.0
57.54843	1.4
59.05003	10.4
66.15478	1.1
67.05505	9.2
68.18285	1.1
69.03433	6.9
69.07062	6.5
70.65719	3.7
71.04979	5.1
71.11116	1.1
74.11203	1.1
74.15874	1.1
78.14907	1.1
79.05492	9.7
81.03394	1.3
81.07060	13.3
83.04977	10.9
83.08603	1.3
85.02892	4.8
85.06528	2.9
86.12236	1.1
91.05488	18.1
92.05820	1.9
93.07039	11.1
95.04968	11.3
95.08601	22.9
97.06524	5.6
103.05466	2.3
105.06376	2.2
105.07029	26.0
107.04961	2.8
107.08597	23.3
109.06523	100.0
109.10149	3.6
111.08054	3.3
117.07002	3.7
119.04984	6.4
119.07791	1.9
119.08583	25.8
121.06510	6.1
121.10139	14.6
123.08073	48.2
123.11687	3.6
125.09597	2.9
129.07005	3.3
131.08568	11.6
133.06520	5.5
133.10129	6.2
135.08067	13.1
137.09637	11.3
137.13281	1.4
139.07530	2.8
143.08609	8.1
145.06499	1.7
145.10130	7.9
147.04408	5.0
147.08040	10.0
147.11691	24.0
149.02356	3.5
149.09625	38.4
150.71416	1.3
151.07553	15.2
156.09380	9.5
159.08049	2.1
159.11693	7.4
161.06007	8.3
161.09634	6.6
161.13239	9.8
163.11201	4.8
164.04680	3.6
165.09103	5.2
165.12752	8.4
171.11687	13.4
174.10440	2.3
175.03944	2.7
177.12711	6.3
179.07021	3.9
183.97675	1.2
189.09087	3.6
189.12741	32.9
192.04214	1.3
207.06447	7.3
207.13809	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.95917	1.4
55.01869	1.9
55.05509	9.3
56.15213	1.1
56.96550	3.5
57.03434	1.9
57.07062	2.7
57.21684	1.2
59.04980	2.7
61.35781	1.3
65.03927	2.4
67.05180	1.5
67.05506	21.4
69.03429	7.9
69.07053	5.4
69.49252	6.6
69.49677	3.8
71.04990	6.2
73.49709	1.2
77.03917	1.4
79.05499	8.2
81.03422	1.4
81.07056	10.9
83.04965	4.8
85.02872	3.6
85.06518	3.8
91.05468	15.0
93.07046	17.4
95.04964	6.6
95.08603	65.0
97.06509	2.4
97.15759	1.2
97.82026	1.4
98.20805	1.8
98.97576	2.3
103.05478	2.0
105.07025	34.4
107.04954	1.9
107.08589	23.4
109.06505	9.8
109.10127	5.1
111.08067	2.8
112.41540	1.1
113.05997	2.4
116.98605	1.6
117.06991	2.1
118.04106	1.3
119.04922	3.9
119.08575	41.6
120.09328	1.5
121.06508	8.1
121.10139	24.4
123.08064	45.7
123.11686	8.5
129.07007	1.9
131.08531	9.1
133.06471	7.2
133.07310	1.2
133.10165	15.0
135.08044	5.6
135.11681	5.0
137.09590	7.9
139.07562	1.4
143.08540	2.1
145.10132	6.4
146.03674	1.9
147.04382	2.9
147.08041	9.9
147.11682	29.2
149.02319	3.1
149.09613	100.0
150.09947	1.8
151.07538	7.8
151.14825	2.9
153.09164	2.3
156.09319	5.2
159.08031	3.8
159.11748	1.7
161.01193	2.0
161.06012	6.2
161.09627	5.6
161.13248	45.5
161.14589	2.4
163.03912	2.2
163.11197	3.5
164.04678	3.6
165.09071	3.4
165.12729	13.0
171.11707	11.1
174.10379	6.2
177.00761	1.7
179.02260	1.9
179.07054	3.4
179.14275	3.1
189.09108	2.9
189.12729	44.9
207.06514	8.3
207.13799	80.4
208.14265	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01857	1.5
55.05503	3.5
56.96551	4.2
57.03427	4.6
57.06871	0.8
57.07076	7.4
58.99601	4.9
58.99821	1.0
59.04981	1.2
61.01152	14.0
61.02908	1.4
65.03925	1.9
67.05172	1.3
67.05504	18.1
69.03415	4.1
69.07053	3.9
71.00009	1.4
71.00330	1.7
71.04980	4.1
72.08177	1.0
73.01120	1.4
73.02906	1.8
74.02445	4.5
79.05504	4.7
80.05005	2.2
80.94954	0.9
81.03407	2.3
81.07058	9.1
83.04977	2.5
84.08141	1.0
85.02920	4.8
85.06542	75.6
86.25657	1.0
86.99038	2.7
89.00617	21.9
89.10713	0.8
91.05477	13.4
93.07037	5.4
94.06549	1.4
95.04958	4.1
95.08611	14.6
96.75931	0.8
97.02859	1.2
99.02668	3.3
99.04444	1.0
101.02386	1.2
101.04241	6.9
103.05473	1.6
103.73961	0.8
105.00076	2.9
105.07023	10.8
106.06558	2.0
107.04992	1.4
107.08599	6.8
109.06483	4.0
109.07661	1.6
109.10136	3.8
113.04216	2.1
115.05797	11.2
116.98602	1.5
117.03716	13.8
117.07011	3.2
118.04160	1.2
118.06547	3.6
119.04940	7.6
119.07304	2.0
119.08577	10.2
119.28621	0.9
120.08120	8.4
121.06520	1.9
121.10138	4.3
122.07206	1.2
123.04443	2.7
123.08064	9.8
123.11713	3.8
128.06192	1.6
129.07011	1.9
131.04851	1.0
131.07291	1.5
131.08572	2.1
132.08101	1.4
133.06563	1.1
133.07651	0.8
133.07845	1.1
133.08858	13.6
133.10106	3.5
134.06047	1.6
134.09639	1.5
134.99675	1.1
135.08070	1.7
137.05939	1.2
137.09601	5.2
143.03374	1.7
143.05177	2.2
144.08087	8.3
145.06465	1.6
146.06075	2.1
146.09630	4.3
147.04413	7.3
147.08018	4.5
147.11671	6.6
148.07568	2.2
148.08673	1.6
149.02336	1.0
149.05898	1.3
149.09595	7.0
151.07535	2.4
151.08665	1.1
156.09296	1.4
161.05946	2.3
161.07111	1.1
161.09648	2.2
161.10774	18.5
161.13254	5.5
162.05455	1.3
162.09120	6.0
163.03854	1.0
163.11130	1.6
165.09059	2.3
165.12735	4.3
171.11699	3.0
175.03951	4.6
179.05327	1.9
179.06897	1.5
189.05516	1.6
189.12753	7.5
189.16365	1.6
190.08588	1.6
192.04196	1.6
207.06844	100.0
207.11302	11.4
207.13797	14.5
207.17404	2.7
208.07204	2.1
208.09579	1.1
211.90511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02369	1.2
53.03944	2.0
55.01857	3.0
55.05508	4.0
56.81390	0.8
56.96553	3.3
57.07063	2.6
65.03935	8.8
67.05494	7.7
69.03427	7.3
69.07045	1.9
70.06573	2.3
71.04973	3.0
71.28218	1.8
73.02909	1.0
77.03917	1.5
78.04723	1.3
79.05495	9.1
80.06245	1.4
81.03403	3.4
81.07025	5.4
83.04961	2.6
85.02901	2.8
85.06527	1.7
89.03889	4.4
90.04692	1.2
91.05475	100.0
92.05795	1.2
93.03399	1.3
93.07036	6.9
95.04967	6.8
95.08601	11.2
97.02863	1.0
97.06503	1.5
99.04392	0.9
103.05471	3.5
105.03356	1.6
105.04536	0.9
105.06376	1.4
105.07027	17.1
106.04134	1.2
106.06528	0.7
107.04958	6.3
107.08565	7.6
108.05729	2.0
109.06521	4.5
109.07638	1.9
109.10155	2.7
111.04425	1.0
115.05464	2.9
116.98602	1.3
117.03339	1.4
117.07020	2.7
118.04157	9.3
119.04936	85.8
119.08575	16.1
120.05277	0.9
121.02870	3.8
121.06503	5.9
121.07630	1.5
121.10148	6.0
121.97488	0.9
122.03623	1.3
122.07298	0.9
123.04429	3.2
123.08054	12.0
123.11674	3.3
125.05959	1.3
125.09626	2.3
128.06209	2.0
128.98602	1.2
129.03372	1.6
129.06970	3.8
131.04906	3.5
131.08521	4.0
132.02042	5.4
133.02824	0.9
133.06480	4.1
133.10123	6.4
134.05992	1.1
134.99600	1.7
135.04404	3.9
135.08029	1.4
136.05171	3.8
137.05969	3.2
137.09604	6.1
143.04907	1.2
143.08549	4.2
145.02870	2.4
145.10097	2.3
146.03641	5.9
146.07196	2.9
146.99638	1.6
147.04401	74.3
147.08028	10.8
147.11685	7.7
148.05095	1.6
148.08664	2.9
149.02322	15.3
149.05995	2.5
149.09590	9.8
150.03026	1.1
151.07573	7.6
156.09320	1.7
157.03949	5.0
159.07973	1.4
161.05971	39.4
161.09599	12.2
161.13232	5.8
162.03180	1.5
162.05432	1.5
163.03912	4.9
163.07561	1.9
163.11205	3.7
164.04695	10.8
165.05444	2.6
165.09084	2.1
165.12726	2.5
171.11687	2.8
174.03104	3.5
174.06769	1.9
175.03899	74.8
176.04379	1.3
177.01859	2.7
177.05469	1.1
179.07019	11.3
179.08862	3.1
179.10501	1.5
180.06572	2.4
189.05417	2.6
189.09085	11.1
189.12767	9.0
189.16293	1.1
192.04169	29.7
193.04825	1.3
207.06514	59.0
207.08286	4.4
207.09991	6.7
207.13858	19.5
207.17265	0.9
208.06114	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03959	1.2
55.05491	5.4
57.07076	13.0
60.04498	1.5
62.77864	1.2
65.03915	6.7
67.05499	6.0
69.03431	2.8
69.07069	8.8
69.51492	7.0
69.51920	4.2
79.05492	7.1
79.28017	1.1
81.07056	29.0
83.08609	2.6
84.04527	1.3
85.04848	2.3
91.05472	5.9
93.03411	3.2
93.07039	31.3
95.04942	3.9
95.08605	15.3
97.02886	7.1
97.10132	3.3
105.07038	3.7
107.08602	14.5
109.02847	2.8
109.10176	8.0
111.04418	2.2
119.08556	2.6
121.02853	11.1
121.03824	1.7
121.06496	7.3
121.10141	49.6
123.11687	3.7
127.05833	3.3
131.08545	3.4
131.97350	1.3
135.08022	1.7
135.11691	8.7
145.06659	1.5
145.10075	4.6
147.11703	1.5
149.02342	100.0
149.13252	19.7
150.02667	3.6
157.95485	1.3
159.11685	2.3
161.13225	1.7
162.10368	2.7
163.11172	2.7
163.14812	2.3
167.03423	3.5
177.12756	7.7
187.07719	1.2
187.11079	2.0
190.09998	1.6
191.14322	1.3
205.04921	1.9
205.08852	3.7
205.12257	13.1
205.14070	2.0
205.15933	3.5
205.19502	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	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
56.05035	3.6
56.96569	12.1
57.07065	2.3
58.99857	2.1
65.92630	6.4
68.05006	2.5
69.07070	2.8
70.20983	3.6
70.21374	4.4
72.25853	2.0
72.87778	1.9
77.00906	3.2
78.95264	5.2
80.20189	1.8
80.94958	12.7
81.34790	1.9
83.46150	1.9
85.36203	2.4
91.05473	3.7
95.01935	3.3
97.07619	4.6
98.21470	2.2
98.95988	2.6
100.02469	8.6
101.00871	5.7
116.98632	2.8
118.03497	11.3
119.01921	98.4
119.04948	3.7
119.97862	4.5
120.02010	4.8
121.01662	12.0
121.97560	19.7
124.02486	2.0
124.93861	5.0
131.01917	2.3
134.99635	6.8
137.02953	70.0
138.03064	5.7
139.02693	9.9
141.05107	16.4
142.03502	100.0
142.94939	5.6
143.03639	3.2
144.03198	4.7
147.04378	3.1
150.02676	4.0
158.96352	2.3
159.05035	3.3
159.06165	21.8
160.02702	3.6
160.03043	3.6
160.04552	54.7
160.07529	2.3
160.95981	12.9
161.03027	2.9
161.04590	3.2
162.04289	3.9
164.97179	2.9
165.05084	10.5
165.96504	12.3
172.04543	3.3
173.02980	2.9
177.01048	3.9
178.03777	6.9
179.00655	4.7
180.05132	2.3
181.97899	2.9
182.98273	6.3
183.01421	3.9
183.06172	81.5
183.97607	26.8
184.04552	3.2
184.06267	2.7
188.99075	2.7
189.11380	2.9
191.14326	4.6
200.49988	16.1
201.00327	8.2
201.02420	11.4
201.05717	4.0
201.07231	34.6
201.09731	5.8
204.29507	2.0
206.07829	6.2
206.12291	3.5
206.19019	3.4
207.06366	2.3
219.01682	4.2
219.03561	4.8
219.10759	6.6
224.04004	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03934	0.7
55.05512	3.9
56.96555	0.8
57.07074	9.2
65.03938	5.7
67.05499	3.6
69.06715	0.6
69.07065	7.4
69.54529	0.3
71.08615	0.5
71.61069	0.3
79.05486	5.1
81.03400	0.4
81.07056	13.5
83.08614	4.2
85.02905	0.6
91.05477	2.9
93.03397	2.2
93.07042	17.8
95.04963	1.3
95.08601	10.8
97.02887	1.5
97.10190	1.8
98.03676	0.7
105.07024	2.4
107.08593	16.6
109.02869	0.4
109.06512	0.8
109.10155	9.4
110.68349	0.3
111.04433	2.1
111.11690	0.8
117.06981	0.4
119.08581	1.0
121.02869	12.9
121.03953	1.7
121.06479	2.0
121.10139	24.8
122.03167	0.4
123.08054	0.5
123.11713	5.0
127.05837	0.7
131.08574	0.6
131.97418	0.4
133.10159	0.5
135.08031	0.6
135.11679	7.6
137.13181	0.4
145.06436	0.4
145.10133	0.8
147.08052	0.6
147.11725	0.7
149.02338	100.0
149.13254	20.3
150.02676	3.7
150.13585	0.8
159.11671	0.7
162.10339	0.5
163.11320	0.7
163.14732	1.9
167.03392	2.7
177.12680	1.5
187.11125	0.7
190.05020	1.0
191.14310	5.4
205.04985	0.5
205.08667	0.7
205.12231	3.5
205.14180	0.9
205.15936	0.7
205.19514	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	2.3
55.05508	18.4
57.07074	10.4
58.81602	1.1
59.64173	1.1
63.88062	1.2
65.03920	2.2
67.05500	14.9
67.42546	1.1
69.06722	2.2
69.07063	31.6
69.87011	7.0
70.07384	1.3
71.08620	1.6
73.67510	1.1
79.05492	16.4
81.07055	65.1
83.08615	12.6
91.05477	8.4
93.07042	63.8
95.04939	2.9
95.08607	47.5
97.10162	7.8
105.07025	8.6
107.08591	54.7
109.06482	2.2
109.10156	45.9
111.11700	5.2
119.08586	1.3
121.02853	3.9
121.03844	1.2
121.06519	2.2
121.10139	100.0
122.10470	1.5
123.08067	1.2
123.11714	22.7
123.25071	1.4
133.10126	1.5
135.11697	35.1
137.13316	2.8
147.11655	2.1
149.02336	31.3
149.13255	61.9
154.23468	1.2
155.00165	1.3
160.66283	1.2
163.14816	8.5
177.12692	1.5
197.23126	1.3
205.12260	1.8
205.19505	40.4
221.24873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.01566	0.9
50.54412	0.9
53.03950	1.9
54.25626	1.0
55.01859	1.1
55.05517	9.6
56.96564	8.0
57.07082	5.5
60.04516	3.8
61.04840	1.7
65.03928	1.7
67.05507	8.0
68.04955	1.0
69.03421	1.1
69.07064	17.6
69.61891	5.5
72.76923	0.8
79.05491	12.6
81.03416	1.3
81.07056	51.9
83.08614	5.7
84.04509	1.7
85.02885	2.1
85.04845	1.5
91.05491	7.1
93.07042	49.1
93.32726	1.0
95.04955	2.8
95.08606	24.9
95.09155	0.9
96.04499	1.2
97.02904	2.6
97.10159	3.6
103.05473	1.2
105.07030	6.0
105.15560	0.9
107.04942	1.3
107.08594	28.5
107.09297	2.2
109.02851	1.3
109.10152	17.2
111.11698	1.8
116.14053	1.0
119.00190	1.2
119.08595	2.2
121.02880	2.2
121.03947	1.0
121.06521	4.9
121.10139	100.0
122.10444	1.7
123.11710	6.8
127.05854	3.1
129.49721	1.0
131.08600	1.4
135.08063	1.4
135.11685	18.8
137.13283	1.5
145.10141	2.0
149.02342	9.7
149.05919	1.6
149.13260	32.7
153.14529	0.9
154.16028	0.9
159.11691	2.1
162.10373	1.8
163.11177	1.2
163.14801	2.0
163.96826	1.1
172.08694	1.0
177.12743	4.4
181.97896	1.9
185.10158	2.5
187.11145	1.9
194.10619	2.6
205.08980	3.1
205.12242	8.9
205.14069	1.9
205.15886	1.8
205.19490	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.03945	0.3
55.01865	0.5
56.05025	0.4
56.96559	2.3
56.99866	0.2
57.07075	1.5
59.63996	0.2
60.04534	1.8
61.04837	0.5
61.74500	0.2
65.03920	1.0
67.05498	0.4
69.03441	1.4
69.07049	0.4
69.88976	1.4
72.04488	0.2
72.08128	0.3
73.02900	0.4
73.06525	0.3
74.02431	0.6
79.05479	0.7
81.03407	0.8
81.05312	0.2
81.07055	0.3
84.04484	0.3
84.08157	0.7
85.02901	1.3
88.03979	1.6
91.05488	1.9
93.07040	1.4
95.04948	0.8
97.02892	1.3
97.04803	0.2
98.61916	0.3
98.97520	0.3
99.04466	0.6
105.07022	3.8
106.06515	0.3
107.04954	0.5
107.08575	0.5
109.02845	0.6
115.05451	7.7
116.98628	0.5
117.05766	4.4
117.06603	0.3
117.07018	0.9
118.06540	1.7
119.05025	0.5
119.07320	14.7
119.08618	0.8
121.02894	1.5
121.06494	3.1
121.10152	0.6
123.04449	0.4
123.25915	0.3
127.03884	0.6
127.05850	0.3
130.06514	1.1
130.08603	0.5
131.08565	0.4
131.60237	0.3
132.08087	30.7
133.06567	0.4
133.08441	0.6
134.05962	0.2
134.99648	0.6
135.08089	0.5
135.11702	0.4
136.07542	0.3
137.01169	0.3
139.64804	0.2
142.06516	8.6
145.06483	0.7
145.10120	0.6
146.05984	1.0
146.07124	0.3
146.99632	0.3
147.08084	0.7
149.02333	8.3
149.05952	0.8
159.09172	100.0
160.07599	1.8
160.09592	1.3
161.05971	0.5
161.09540	0.3
163.02800	0.4
163.07532	0.4
163.11156	0.8
164.02220	0.2
170.05940	0.6
177.05486	0.4
177.12743	1.6
178.05009	1.9
181.03386	1.1
182.03610	0.5
187.11121	0.9
189.10318	0.2
190.09999	0.3
199.04558	0.7
205.04951	0.8
205.09721	6.8
205.12239	3.0
205.14017	0.3
205.15874	0.6
206.04558	0.5
206.08163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
53.49178	0.9
54.01448	1.1
55.01865	2.9
55.05500	3.4
56.02194	1.1
56.05039	5.3
56.96289	1.3
56.96566	24.3
57.03436	8.5
57.04555	8.8
57.61229	1.0
58.03765	1.4
58.06588	2.4
59.04993	2.9
60.04526	28.6
60.05325	1.7
60.08171	9.1
60.95840	1.5
61.02922	9.4
68.05024	7.3
69.03413	9.9
69.07053	1.7
70.02945	2.6
70.06594	12.2
70.98117	2.1
71.01357	1.5
71.04992	44.2
71.06114	29.4
72.04514	2.1
72.08144	3.5
73.02914	8.2
74.06067	1.4
74.97636	1.3
77.00883	1.3
78.95277	1.8
81.03419	4.3
82.06572	1.3
83.01332	1.7
83.04986	1.2
84.04501	14.7
84.08144	12.9
84.40428	1.2
84.96043	1.4
85.02902	80.9
86.03240	2.0
86.06065	2.0
86.09702	4.7
87.04487	1.5
87.10035	1.8
88.07643	5.3
88.08749	4.8
88.99170	1.1
96.04498	14.2
97.02881	21.3
98.06069	4.0
98.20811	1.5
98.97581	11.5
99.04472	7.1
100.07581	1.8
102.02419	1.6
103.03923	1.6
109.02880	3.2
110.01271	1.9
110.06048	3.4
110.97607	1.9
111.02914	1.7
112.07631	1.3
114.05516	11.0
114.09148	1.6
115.02457	1.9
115.03928	4.0
116.07107	1.9
116.98617	8.1
117.01918	1.8
117.05499	6.2
118.08660	1.4
119.01909	13.5
119.97923	2.4
120.02077	3.5
121.01678	2.9
121.06548	1.6
122.05981	1.7
122.94241	1.5
124.01918	1.8
126.05520	15.0
127.01543	1.1
127.03916	4.6
128.02370	1.7
128.07086	2.3
128.98618	2.5
129.03075	1.0
129.04005	1.1
129.10185	2.2
130.06567	1.4
130.08653	3.7
131.00189	1.4
131.01903	3.6
131.99712	3.0
132.06557	1.6
133.01627	1.1
133.03473	4.0
134.08118	17.4
134.99658	7.3
135.03084	1.5
135.05070	1.3
137.01300	1.0
137.02936	3.4
138.04414	1.5
138.05472	10.4
140.02304	1.5
140.05022	2.7
140.55074	1.4
140.95262	1.3
143.01913	1.9
144.06596	4.5
144.10234	2.2
144.99881	1.2
145.03455	1.7
145.04973	5.9
146.99646	4.7
147.04994	1.3
149.01317	1.5
149.02510	4.2
149.03783	5.9
149.53860	1.7
150.00739	2.6
151.02673	1.5
155.03690	1.5
156.01852	1.3
156.03578	1.0
156.06595	1.5
157.03497	1.2
158.06262	1.0
158.08069	2.1
158.11794	2.1
158.12892	56.0
158.96294	2.0
158.99669	1.8
161.01172	2.8
161.02995	4.1
161.54283	1.2
162.03058	1.3
162.05516	1.6
162.99217	2.9
163.02766	2.7
163.04541	1.2
163.96904	3.8
165.00729	3.2
168.06544	4.9
172.03238	2.9
173.02974	3.2
173.09259	1.7
175.02853	1.3
175.04559	2.0
177.00737	3.7
177.02289	1.9
181.00226	2.8
181.03868	1.6
181.97893	4.3
186.07651	3.7
187.00630	1.5
189.00774	2.2
190.98607	2.2
191.04013	1.4
201.43318	1.2
203.03998	1.9
204.06857	1.5
204.08676	18.9
204.13510	100.0
205.01855	1.3
205.05603	1.3
205.14017	1.4
221.05182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.03938	2.2
54.26361	0.9
55.01866	1.2
55.05517	1.1
56.05015	1.4
56.96557	0.9
57.03425	3.1
60.04526	100.0
61.02933	6.8
62.23846	0.9
66.88678	0.9
68.05029	28.9
69.03418	4.6
69.07028	1.0
70.06577	1.1
71.04105	2.6
71.04993	1.5
72.04501	3.8
73.02914	1.5
81.03392	3.0
83.01340	1.9
84.04037	1.7
84.04507	24.3
85.02901	12.2
86.09718	0.9
91.03915	1.4
96.04491	51.0
97.02892	45.3
97.36472	1.0
98.06033	6.8
99.04452	4.7
100.03981	1.4
101.02350	0.9
109.02884	1.0
110.06044	11.5
114.05531	41.1
122.06036	1.5
124.03980	2.1
126.05514	34.0
127.03931	4.2
132.91776	0.8
138.05505	10.6
144.06573	3.3
145.04979	2.1
150.05515	2.0
156.06549	5.5
158.11787	1.7
168.06554	11.5
186.07632	6.1
204.05727	1.7
204.08681	34.6
204.13725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.15486	1.2
55.01522	1.0
55.05507	10.7
56.96569	5.9
57.03408	1.4
57.07060	3.8
59.86541	0.9
59.94545	1.2
60.04529	9.7
65.03934	1.5
67.05501	19.9
68.05009	2.8
69.03409	1.7
69.06719	1.2
69.07069	17.1
71.04983	1.0
71.59715	1.6
79.05490	13.2
81.07055	58.7
83.08620	8.4
84.04483	4.5
85.02885	2.5
85.06522	1.2
91.05479	21.7
93.07040	22.7
95.04936	3.0
95.08604	47.1
96.04479	3.4
97.02875	4.7
98.97559	1.1
100.02453	3.4
103.05462	1.7
105.07027	68.7
107.08591	25.9
109.06532	2.8
109.10157	30.3
110.06022	1.8
114.05547	2.7
115.05402	1.9
117.06999	7.0
118.03526	2.8
118.07861	1.2
119.08579	61.4
120.96492	1.2
121.09314	1.7
121.10141	23.0
123.11703	8.4
126.05535	5.8
128.06241	1.6
129.06981	4.9
131.08585	8.3
132.09326	1.7
133.06456	2.6
133.10132	56.4
135.11668	4.3
141.06908	1.8
142.07809	5.3
143.08569	5.8
144.06641	1.5
145.06526	1.3
145.10136	15.1
146.99765	1.1
147.08029	5.0
147.11687	87.7
155.08556	2.1
157.06503	1.3
157.10118	9.4
159.08112	1.3
159.11717	9.9
160.05124	1.4
160.12447	5.7
161.03061	1.5
161.05945	1.8
161.09604	4.8
161.13252	26.9
163.02750	2.1
168.07286	1.5
170.10916	2.2
173.13269	2.4
175.07518	2.6
175.11191	2.9
175.14780	9.1
179.97914	1.8
185.13292	4.7
186.07571	1.4
197.99197	1.6
203.05402	1.5
203.07040	3.5
203.10699	7.2
203.14362	14.9
203.17955	100.0
204.08690	3.5
204.13768	6.9
204.18285	1.6
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
53.03934	1.7
55.01880	1.7
55.05281	1.0
55.05516	9.6
56.05059	1.3
56.96546	4.6
57.03453	1.3
57.07059	4.7
60.04255	1.5
60.04530	26.1
61.02912	1.3
65.03935	1.4
67.05505	12.9
67.21225	1.3
68.05015	4.8
69.07064	24.3
69.07424	1.1
69.24104	1.3
70.45238	3.6
70.45665	3.0
71.08618	1.7
79.05491	7.5
81.03415	1.6
81.07056	50.4
82.37423	1.4
82.88251	1.3
83.08614	6.0
84.04504	16.0
85.02895	4.1
91.05485	12.4
93.07040	14.5
94.26434	1.2
95.04944	2.6
95.08604	32.5
96.04487	10.1
97.02882	11.4
98.06023	2.1
98.20700	1.5
99.04440	1.7
105.07030	53.2
107.08599	18.9
109.10159	21.8
110.06049	2.3
112.53191	1.3
114.05531	12.1
115.05476	1.4
117.07004	4.2
118.03474	1.4
119.08582	40.3
121.10126	13.6
123.11670	5.5
126.05516	21.2
129.06982	2.6
131.08568	6.6
133.10130	52.2
135.11658	3.9
138.05470	2.9
142.07733	2.2
144.06532	1.7
144.92941	1.8
145.10101	13.3
146.05798	1.6
147.11688	94.3
151.05112	1.7
159.11690	4.2
160.12465	11.7
161.13264	25.3
168.06577	2.9
175.07591	2.3
175.14818	4.7
185.13165	2.0
186.07552	2.7
192.09045	1.6
199.08109	1.6
203.06990	2.6
203.10614	3.4
203.14372	6.9
203.17950	100.0
203.21967	8.1
204.08650	11.8
204.13835	5.1
204.18147	1.9
210.72861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03947	1.4
55.01837	0.9
55.05506	10.7
56.05022	1.2
56.96560	4.5
57.07056	3.3
60.04522	20.2
61.02893	0.8
67.05181	1.3
67.05504	17.6
68.05042	5.6
69.03408	1.4
69.07065	10.0
69.85181	1.3
69.85484	5.6
71.05020	1.1
72.56145	0.8
79.05505	5.6
81.03400	1.4
81.07053	20.4
83.01369	0.8
83.08598	5.7
83.50709	1.0
84.04499	17.0
85.02896	4.0
91.05468	13.4
93.07031	10.0
95.04921	1.0
95.08604	55.9
96.04479	10.1
97.02885	9.7
97.10145	1.7
98.06041	3.0
99.04438	1.4
100.02475	1.6
105.07024	41.5
107.08590	21.7
109.10152	25.1
110.06026	2.9
114.05513	8.9
115.05423	1.4
117.06997	2.2
118.03538	2.2
119.08578	54.3
121.10146	14.9
123.11671	4.3
126.05504	20.5
127.03869	1.4
129.06995	1.0
131.08545	5.2
133.10123	44.2
135.11668	4.5
138.05412	1.8
142.07768	2.8
143.08577	1.0
144.06558	3.7
145.10106	10.1
147.08011	1.1
147.11682	52.6
156.06538	1.0
157.10077	2.9
159.11674	5.7
160.12482	4.3
161.09561	1.4
161.13245	23.5
168.06538	2.6
170.10951	1.2
173.13286	1.1
174.14017	2.6
175.14813	12.1
175.18942	1.2
179.07687	0.9
185.09703	1.5
186.07626	2.1
188.15614	2.6
197.99232	1.1
203.03369	1.0
203.05229	1.2
203.08464	0.8
203.10614	4.4
203.14536	7.4
203.17950	100.0
204.08664	11.1
204.13837	3.2
204.18341	1.7
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.06018	0.6
53.03951	1.2
53.30381	0.5
53.34436	0.5
55.05513	9.2
57.07076	2.3
60.04529	13.8
60.05306	0.5
64.94539	0.5
65.03922	0.7
66.64841	0.6
67.05512	8.9
68.05029	2.5
69.03437	0.6
69.07072	18.4
69.50901	1.0
69.51292	4.3
77.03919	0.8
79.05046	1.0
79.05495	9.5
81.07060	52.9
81.36899	0.5
82.07390	0.7
83.08627	14.3
84.04508	5.4
85.02898	1.5
91.05486	12.4
93.07051	11.1
95.04955	1.4
95.08607	19.7
96.04514	4.3
97.02879	3.9
98.06082	0.9
103.05489	0.9
105.07034	56.3
107.08601	20.1
109.06535	1.4
109.10152	14.9
110.06021	1.2
110.21694	0.5
114.05541	5.0
115.05446	0.9
117.07017	3.4
118.07790	0.6
119.08589	36.6
121.09312	0.7
121.10153	12.2
123.11705	4.2
126.05543	6.4
127.03904	0.6
129.06966	1.0
130.07776	0.7
131.08569	7.5
132.09323	1.0
133.10138	38.8
135.11714	7.2
138.05548	0.9
142.07750	1.3
143.08556	1.5
144.06555	0.9
145.10126	14.9
146.10828	0.8
147.11694	94.0
148.12067	1.8
157.10146	1.6
159.11707	4.9
160.12479	10.1
161.09700	1.3
161.13278	25.7
162.13541	0.8
166.81810	0.6
168.06546	0.6
170.10878	0.6
173.13329	1.2
174.14108	1.3
175.07610	1.7
175.11208	0.7
175.14857	3.2
185.13257	1.1
203.05273	1.3
203.07010	1.5
203.10689	2.1
203.14209	2.6
203.17961	100.0
204.06793	1.2
204.08698	4.2
204.13873	1.6
204.18321	2.3
214.55992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05508	11.9
56.05038	1.1
56.96552	0.8
57.07064	2.9
60.04522	12.2
65.03934	1.1
67.05499	20.5
68.05013	3.2
69.06720	1.0
69.07065	15.0
69.71230	6.1
70.06593	1.0
74.10102	0.8
76.90555	0.9
79.05475	7.6
81.03424	0.9
81.07056	27.1
83.08615	5.7
84.04510	8.3
85.02895	2.3
90.19617	0.7
91.05477	16.7
93.07040	15.9
95.08603	48.2
96.04498	5.5
97.02899	6.1
97.10183	2.2
98.06026	1.4
98.20671	1.0
99.04438	1.4
105.07028	52.8
107.07855	1.4
107.08588	25.3
109.10155	40.0
110.06021	2.1
114.05512	5.8
117.07035	4.3
119.08577	56.1
121.10146	16.7
123.11722	6.0
126.05511	13.4
127.03909	1.3
128.06235	1.5
129.07002	1.9
130.07790	0.8
131.08577	5.2
133.10127	65.3
135.11699	5.3
138.05461	1.1
143.08611	0.9
144.06534	2.6
145.06410	1.0
145.10126	9.8
147.08066	1.5
147.11681	60.6
148.12085	1.2
159.11665	7.1
160.12457	3.6
161.09697	1.3
161.13263	28.3
168.06599	1.7
173.13184	1.2
174.14044	2.5
175.07497	0.9
175.14822	8.4
178.84729	0.8
186.07549	1.8
201.16437	0.9
203.05312	1.1
203.07039	2.3
203.10655	2.7
203.14348	4.1
203.17952	100.0
204.08665	6.5
204.13861	2.3
204.18228	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.15222	1.2
53.03940	1.6
55.05515	12.3
57.07063	4.2
58.84091	1.3
60.04516	4.3
67.05216	1.5
67.05504	15.9
68.05019	3.2
69.07069	13.3
69.21583	1.3
79.05477	6.1
81.07049	15.5
83.08611	5.1
84.04494	8.2
85.02899	1.6
91.05479	17.4
93.07044	12.3
95.05013	1.5
95.08607	52.1
96.04467	4.2
97.02873	4.7
98.21619	2.8
105.07030	46.7
107.08601	22.0
109.10157	27.4
114.05514	4.3
117.07006	3.0
119.08578	62.0
121.10132	23.1
123.11731	6.2
126.05503	8.6
127.03971	1.6
131.08577	5.5
133.10132	75.1
135.11678	4.7
144.06570	1.5
145.10136	7.4
146.10878	2.1
147.11693	58.4
159.11691	8.4
160.12431	4.2
161.09618	2.1
161.13246	26.3
169.05908	1.6
173.13248	2.8
174.14066	3.0
175.14790	6.9
185.09589	1.4
186.07700	2.0
203.10693	3.6
203.17961	100.0
204.08745	2.6
204.13919	1.8
204.18256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.93235	0.7
55.05513	5.4
56.05014	1.0
56.96566	1.1
57.07061	3.4
57.07299	0.7
58.07355	0.9
60.04522	9.3
60.43798	0.7
62.06081	0.9
62.65579	0.8
65.03944	0.8
66.59846	0.8
67.05501	7.7
67.52280	0.9
68.05016	1.8
68.63918	0.8
69.07066	23.8
69.86258	4.7
79.05491	5.0
81.07057	30.9
83.08606	5.3
84.04482	5.1
85.02898	2.2
91.05476	9.5
93.07037	9.1
95.04974	1.0
95.08599	18.8
96.04495	4.1
97.02863	3.8
98.21383	1.3
99.04501	0.8
100.02456	1.5
105.07024	46.5
107.08592	12.3
109.06550	1.2
109.10159	13.3
114.05505	3.0
117.07002	2.4
119.08577	34.4
121.10126	10.3
123.11700	2.5
126.05534	5.6
129.06941	0.9
131.08548	7.1
132.09323	1.8
133.10124	45.7
134.10411	1.0
135.11703	2.9
138.24243	0.7
142.07796	0.8
143.08566	0.7
144.06474	1.0
144.09377	0.9
145.10124	15.5
147.11682	82.2
148.12048	1.8
157.10188	0.8
159.11694	7.1
160.12474	15.9
161.13249	26.4
161.14595	1.3
168.06575	1.1
175.07562	0.9
175.14815	2.4
185.21034	1.1
197.99258	0.9
203.07172	0.9
203.17955	100.0
203.21959	11.0
204.08684	3.2
204.13881	1.6
204.18298	3.1
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
53.03925	1.4
54.32958	0.7
55.01862	0.9
55.05515	4.9
57.07064	1.6
60.04520	1.9
63.32241	0.8
64.97036	0.7
67.05164	1.3
67.05501	19.3
67.79653	0.7
68.05022	1.4
69.07060	6.3
69.43394	5.4
69.43802	1.3
79.05491	7.1
79.92825	0.8
81.07056	28.9
83.08598	2.2
84.04496	4.2
85.02905	0.9
91.04958	0.9
91.05479	9.9
93.06461	1.5
93.07040	22.8
95.04991	1.5
95.08604	57.9
96.04481	1.5
97.02884	1.7
98.06139	0.7
100.02428	1.0
105.07026	44.1
107.08588	33.7
109.06494	1.6
109.10152	38.6
110.06072	0.8
114.05514	2.1
117.06983	2.0
119.08575	31.4
120.08902	1.0
121.09312	1.2
121.10138	18.0
123.11700	6.6
126.05518	4.7
131.08563	1.3
133.10124	25.4
135.11668	3.2
138.05556	1.0
142.07759	1.5
144.06581	1.4
145.06432	1.1
145.10104	2.8
147.08092	1.1
147.11681	46.0
157.10048	0.8
159.11674	2.1
160.12500	0.8
161.09595	1.4
161.13269	18.0
168.79803	0.9
175.14810	8.9
185.09593	1.2
185.13240	1.2
187.14490	0.7
197.99051	0.8
203.03325	1.0
203.07088	0.8
203.10667	2.2
203.14418	4.7
203.17946	100.0
204.08676	2.2
204.13815	4.1
204.18246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.72364	1.6
53.03938	1.8
54.31627	1.9
55.05516	8.9
56.96552	5.0
57.07067	3.4
60.04519	13.6
67.05508	16.0
68.05016	7.7
69.03421	1.8
69.07064	16.3
71.59444	1.6
71.59885	1.9
79.05476	7.1
81.07053	33.6
82.07438	1.9
83.04955	1.5
83.08607	4.2
84.04504	18.8
85.02905	5.9
91.05476	18.5
93.07048	18.6
95.04942	2.1
95.08604	53.4
96.04507	11.6
97.02888	14.6
97.10146	1.6
100.02458	4.8
101.00339	1.5
105.07032	100.0
107.08601	27.6
109.10155	30.6
110.06038	2.9
114.05539	14.0
115.73194	1.7
117.07048	3.3
118.03500	6.2
119.08582	54.2
121.10153	19.0
123.11773	8.2
126.05516	19.0
129.06993	2.8
131.08533	5.4
133.10130	50.7
138.05476	3.2
142.07782	2.9
143.08498	2.2
145.10095	6.9
145.82202	1.6
147.11685	72.9
148.12151	2.6
157.10109	5.3
159.11667	2.8
160.12567	1.9
161.09613	4.7
161.13255	20.3
175.07468	2.2
175.14819	11.7
185.09648	2.0
185.13203	3.5
186.07631	2.4
197.99191	3.2
203.06943	2.6
203.10657	7.5
203.14395	12.4
203.17953	78.4
204.08632	12.2
204.13795	11.3
204.18304	2.1
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	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.00834	1.0
53.03941	2.6
55.05510	9.8
56.96551	2.6
57.07061	4.8
60.04528	11.6
67.05504	17.0
68.05022	3.5
69.03409	1.2
69.07063	15.1
70.33813	1.5
79.05493	10.1
81.03371	1.1
81.06572	2.3
81.07053	36.5
83.08633	5.0
84.04495	12.7
85.02890	3.1
85.42790	1.2
91.05477	21.1
93.07043	15.2
95.08604	48.8
96.04485	7.2
97.02879	9.1
97.10160	1.4
98.06081	1.6
99.04430	1.3
100.02448	1.5
105.07028	100.0
107.08591	24.6
109.10153	32.2
110.06066	2.1
114.05540	6.8
117.07011	3.3
118.03482	1.0
119.08581	51.0
121.10139	19.0
123.11717	6.9
126.05497	16.1
129.07002	1.2
131.08568	4.6
133.10127	46.8
135.11694	3.7
140.81004	1.0
144.06563	2.8
145.10104	6.3
147.11681	70.6
156.06580	1.5
159.11707	3.1
160.12465	3.1
161.13249	28.7
168.06561	2.0
175.14812	12.5
185.13307	1.2
186.07660	1.2
203.10701	2.7
203.14310	3.2
203.17953	78.0
204.08685	8.8
204.13931	5.1
204.18312	1.6
216.46898	1.1
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
53.03934	1.9
55.05510	8.1
56.05033	1.5
56.96558	4.0
57.07063	3.3
60.04521	14.2
61.02929	1.4
64.67924	0.8
67.05504	15.5
67.48837	0.8
68.05027	5.4
69.03416	1.2
69.07070	22.3
69.72444	2.1
69.72861	4.2
73.02918	1.4
79.05482	9.5
81.07056	36.2
83.08595	3.4
84.04509	16.4
85.02899	3.5
91.05482	23.7
93.07043	16.9
95.04978	1.3
95.08604	38.9
96.04496	8.2
97.02343	1.3
97.02895	11.5
97.10201	1.7
98.06053	2.7
100.02457	2.3
105.07032	62.5
107.08594	24.7
109.10152	26.3
110.06082	1.7
114.05527	10.8
117.06977	3.1
118.03510	2.2
119.08583	51.5
120.96568	1.2
121.10141	15.9
123.11706	6.6
126.04568	1.1
126.05508	20.2
127.03929	1.6
128.06313	1.0
129.07013	2.2
131.08617	5.6
133.10129	52.5
135.11691	4.8
138.05464	2.3
142.07808	1.0
144.06573	4.4
145.10117	10.6
146.10893	1.6
147.11682	82.8
148.12086	1.2
156.06526	1.1
157.10121	2.1
159.11681	5.5
160.12486	8.2
161.09590	1.8
161.13243	26.2
168.06589	1.6
175.14790	7.1
179.97832	1.1
185.09776	1.5
185.13307	1.2
186.07628	2.0
192.10799	1.2
197.99069	1.0
198.37396	0.9
203.10657	3.7
203.14322	4.8
203.17947	100.0
204.08693	9.8
204.13837	4.2
204.18275	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.01868	2.0
55.05508	2.6
55.93525	0.9
56.05053	0.9
56.96559	7.2
57.03435	2.2
58.06590	0.8
59.06116	1.5
60.04527	16.9
61.01113	1.0
67.05502	1.4
68.05037	2.6
69.03423	2.5
69.07090	1.1
70.06593	1.2
70.10241	1.9
70.10634	1.5
71.05034	0.7
72.08162	1.9
73.02917	2.2
74.06061	1.2
77.12533	0.7
79.05494	1.2
81.03417	0.9
81.07069	1.8
83.04990	1.0
83.06120	0.8
83.08641	1.4
84.04514	4.2
84.08143	1.8
85.02901	4.3
86.09705	100.0
87.04481	1.2
87.10037	1.4
91.05482	2.1
93.07062	1.1
95.04954	1.1
96.04489	4.1
97.02883	5.7
98.06050	1.4
98.97599	2.4
99.04485	1.4
100.02517	1.0
101.02383	0.8
102.05605	0.8
105.07025	1.7
110.06053	1.3
114.05545	3.9
115.03917	1.5
116.00278	0.7
116.98639	2.6
118.03520	1.2
119.01888	2.8
119.08578	1.8
120.96516	0.9
120.97910	1.2
126.05496	4.5
127.03965	1.5
128.06207	1.0
129.06969	0.9
130.06551	0.8
131.01898	0.9
131.08530	0.8
132.10199	68.2
133.06473	1.3
133.10201	1.4
134.99670	4.1
137.02971	1.9
138.05472	1.4
138.98935	1.0
142.07782	1.6
143.08501	1.4
144.06570	0.9
147.03398	0.7
147.04420	5.0
147.08041	1.3
147.11810	1.0
153.00720	1.4
153.05637	1.0
157.10181	2.8
157.13339	8.8
161.02943	1.8
161.09596	1.8
168.06516	1.6
173.03078	1.4
174.98448	1.1
175.03938	1.0
175.07516	1.6
175.11221	0.8
177.00771	1.5
179.97914	1.2
185.09599	1.4
186.07631	0.8
191.05894	0.9
197.99022	1.2
203.03543	1.5
203.05276	5.3
203.07101	2.1
203.10745	5.4
203.14082	4.8
203.18167	1.5
204.08711	4.6
204.13898	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01872	0.8
55.05510	0.9
56.05028	0.8
56.96564	3.7
57.03432	1.5
58.06593	0.5
59.04979	0.3
59.06104	0.3
60.04526	6.6
61.02926	0.7
61.58573	0.2
66.02792	0.2
67.05491	0.5
68.05039	1.1
68.99775	0.3
69.03440	1.4
69.07060	2.7
70.02949	0.3
70.06588	1.5
71.05002	0.5
71.06159	0.2
71.58707	0.3
72.04502	0.4
72.08155	0.5
72.93787	0.3
73.02927	0.9
74.06065	0.2
76.04009	0.3
79.05491	0.4
81.03403	0.4
81.07036	0.7
82.06577	0.4
83.01346	0.3
83.04973	0.3
84.04508	1.9
84.08144	3.3
85.02912	2.5
86.06046	0.3
86.09706	100.0
87.04443	0.3
87.10040	0.9
88.03981	0.3
90.05530	0.4
90.94847	0.4
91.05488	0.8
94.15011	0.2
95.04985	0.3
95.06081	0.2
95.08639	0.2
96.04491	1.8
97.02900	3.0
97.06534	0.3
98.06061	0.6
98.97593	1.3
99.04457	0.5
100.07603	0.3
101.00821	0.4
102.05552	0.4
105.00225	0.2
105.07059	0.5
109.02885	0.6
110.06052	0.8
110.07191	0.3
114.05540	2.4
115.03881	0.5
115.91370	0.3
116.07124	0.4
116.98610	1.6
117.01994	0.2
117.07008	0.4
118.03559	0.4
119.00179	0.3
119.01905	1.8
119.08590	0.5
120.96484	0.4
121.01678	1.3
126.05531	1.5
127.01572	0.6
127.03918	0.8
127.08681	0.3
129.10220	1.8
129.13876	0.3
130.06604	0.3
130.08620	0.4
131.01924	0.7
131.08609	0.3
132.03426	0.3
132.10205	1.6
132.95865	0.3
133.01668	0.3
134.99672	1.5
137.02953	1.0
138.03372	0.3
138.05518	0.7
139.02730	0.7
140.07124	0.2
142.07791	0.3
143.01978	0.4
143.03400	0.4
144.06567	0.3
145.05035	0.3
146.99709	0.6
147.04410	0.7
149.02879	0.3
150.00732	0.5
151.02754	0.3
153.00737	0.4
155.01796	0.4
155.04707	0.8
156.01828	0.3
156.06696	0.2
156.97505	0.4
157.06453	0.3
157.10147	0.5
157.13373	0.6
158.08159	0.4
158.11749	0.3
158.99693	0.3
161.02934	1.4
161.09563	0.3
164.05142	0.4
168.06532	0.3
171.02925	0.4
173.03027	0.7
174.98485	0.6
175.07591	0.4
177.00739	0.6
179.99237	0.4
181.00368	0.3
185.02936	0.4
185.06058	0.3
186.07591	0.4
189.04160	0.3
190.98531	0.3
191.02342	0.3
198.00197	0.4
203.03606	0.6
203.05336	1.9
203.06984	0.4
203.10652	1.4
203.13995	2.0
203.17984	0.4
204.08694	2.1
204.13736	1.0
221.03226	0.4
221.05109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
56.93102	1.2
56.96548	3.5
57.03423	8.2
59.04992	5.5
60.04525	12.6
61.02919	2.1
68.05021	6.0
69.03429	1.5
69.60558	10.3
69.60967	2.9
70.06582	5.9
72.04516	1.6
73.02883	2.1
74.52046	1.3
84.04500	8.8
84.08131	3.7
85.02888	7.6
85.03356	1.9
86.09713	8.4
91.22816	1.4
96.04485	8.7
97.02898	7.1
98.06073	2.2
107.36066	1.3
110.05990	2.7
114.05524	16.7
116.07067	8.9
116.98650	1.4
119.01900	4.0
126.05490	6.0
130.05023	7.5
132.10176	3.9
140.07040	2.6
141.89243	1.2
142.05031	5.0
143.03421	1.8
157.03412	1.5
159.07675	2.7
161.02980	3.9
168.06544	2.8
171.02872	3.8
173.02910	2.7
185.02980	1.6
185.09444	2.1
186.07663	2.6
188.80869	1.6
203.05270	100.0
203.10333	3.2
204.05605	1.8
204.08734	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	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03939	3.2
55.01854	5.3
55.05513	10.2
56.05003	3.1
56.96552	7.2
57.07068	2.9
60.04523	25.8
65.03927	2.6
65.12056	1.9
67.05502	17.8
68.05003	6.5
69.03413	6.2
69.07075	10.4
70.85382	4.6
70.85712	2.0
71.05006	2.8
71.32296	2.0
75.54888	1.7
79.05489	17.5
81.03407	3.2
81.07061	32.5
82.97739	2.0
83.04960	2.2
83.08627	4.3
84.04501	15.1
85.02882	7.2
91.04959	3.6
91.05481	42.2
93.07051	19.1
95.04945	8.2
95.08605	34.0
96.04472	8.6
97.02899	14.7
98.97582	2.8
103.05472	4.4
105.07034	70.5
107.04932	3.6
107.08604	27.1
108.81709	1.8
109.10155	17.1
111.04456	2.2
114.05523	10.8
115.05466	19.7
116.06203	5.6
116.98591	3.4
117.07023	24.5
119.01949	3.0
119.04967	4.3
119.07791	3.7
119.08588	55.6
120.96558	3.3
121.06459	2.5
121.10141	15.3
123.08051	3.8
123.11703	3.0
123.16058	2.5
126.05515	19.5
127.03844	2.4
128.06223	20.2
129.07014	58.0
130.07626	2.1
131.04916	2.7
131.08568	62.9
133.06525	15.3
133.07385	2.6
133.10132	41.0
134.99664	2.5
135.04402	2.1
135.08054	2.7
135.11658	4.9
138.05519	4.4
141.06990	6.7
142.06752	3.4
142.07780	53.7
143.04913	3.0
143.08566	16.1
144.05630	2.3
144.09305	4.6
145.06467	8.2
145.10094	22.1
147.04362	7.2
147.08058	16.7
147.11684	56.3
155.08492	3.3
156.06493	2.3
157.06517	37.6
157.10130	100.0
159.08102	5.0
159.11713	23.0
160.05159	2.3
160.08740	4.0
160.12489	4.6
161.05948	15.4
161.09645	12.6
161.13242	17.7
162.04570	2.7
168.06638	2.5
170.10870	4.3
173.13261	2.7
175.07538	32.9
175.11168	9.9
175.14783	8.3
185.09647	26.0
185.13206	11.8
188.08336	2.6
203.03355	5.1
203.05273	2.9
203.06992	32.5
203.10658	81.6
203.14325	32.9
203.17952	63.2
204.08820	11.7
204.13832	7.4
223.04787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03945	1.5
54.49281	0.7
55.01884	0.9
55.05508	4.3
56.96572	3.8
57.07059	3.5
59.93106	0.9
65.03934	0.9
67.05218	0.7
67.05503	8.5
69.07067	5.1
71.08619	1.1
71.42518	1.3
79.05486	10.9
81.06572	1.2
81.07055	20.7
83.08604	2.0
91.05478	17.3
93.07043	19.9
95.04959	1.7
95.08044	1.2
95.08609	16.5
97.63502	0.7
103.05440	1.2
105.07027	30.4
107.08588	26.0
109.06500	1.5
109.10148	4.9
115.05447	2.1
116.06213	1.3
117.07013	16.9
118.96754	9.2
119.08576	18.9
121.06499	1.3
121.10140	9.3
121.33699	0.7
128.06213	1.5
129.06984	5.3
130.07791	5.8
131.08565	36.2
132.08881	0.7
133.10130	14.0
133.99084	1.6
134.10527	0.7
134.99669	0.9
141.07033	1.0
141.98253	0.8
142.07777	1.0
143.08566	7.2
144.09337	6.1
145.10118	70.4
146.11006	3.6
147.11713	2.2
154.96457	2.3
156.09424	0.9
157.10121	5.4
158.10867	3.1
159.08055	1.1
159.11687	48.2
160.12431	1.4
171.11739	1.8
172.12477	1.4
173.09589	2.4
173.11766	0.8
173.13254	15.4
176.04062	1.0
177.98038	5.7
183.08461	1.1
183.11681	1.0
186.10320	1.4
186.14038	2.9
199.14766	0.8
200.99594	0.9
201.09091	1.7
201.12756	8.5
201.16374	100.0
202.16737	2.8
215.02161	1.0
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
55.06070	4.6
70.31822	10.5
98.97565	6.8
100.02473	14.0
101.00887	10.2
116.98586	8.0
118.03540	7.1
119.01920	100.0
120.02068	6.7
124.02367	3.8
134.99677	6.7
137.02960	44.8
142.03522	32.5
160.04536	28.2
161.02916	11.0
178.01242	5.2
178.05649	7.6
179.00742	4.8
179.03989	45.4
179.98056	5.7
184.04590	4.4
197.99223	11.9
199.50073	7.0
220.02127	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.32740	0.7
53.03929	1.3
55.01860	0.9
55.05500	2.5
55.89347	0.8
56.96551	4.0
57.03420	0.8
57.07072	6.0
59.21549	0.6
67.05501	7.4
69.03423	1.2
69.07066	5.5
69.49702	4.7
69.50117	1.5
71.08633	0.8
79.05492	11.2
81.07054	16.8
82.07364	0.7
83.08622	1.2
84.96004	1.6
85.02918	1.0
86.09719	0.7
91.05473	15.8
93.07040	23.9
95.04972	1.7
95.08609	13.1
98.97557	4.4
103.05428	1.2
105.07030	35.4
107.08585	23.5
109.06491	0.9
109.10144	6.1
112.99121	0.8
115.05463	2.2
116.06193	2.3
116.52645	0.7
116.98628	4.6
117.07021	14.8
118.96749	2.9
119.08574	20.0
121.06512	0.8
121.10162	8.0
123.11703	0.6
128.06229	1.4
129.06995	5.8
130.07794	3.5
131.00169	0.9
131.08562	54.7
132.08858	1.5
133.10146	8.4
134.99672	3.7
141.06998	1.2
142.07758	0.9
143.08562	4.5
144.09383	3.9
145.06456	1.4
145.10117	76.4
146.10742	2.2
147.08002	0.8
147.11665	1.6
149.01199	3.3
149.48329	0.7
153.07028	1.0
154.96454	1.2
155.08545	2.2
157.10124	5.0
158.07219	1.3
158.10884	1.8
158.99619	1.6
159.07993	2.5
159.11685	46.5
160.12331	1.3
162.99156	1.7
168.09390	1.7
171.08012	1.5
171.11679	1.7
172.08789	1.8
172.12526	1.8
173.01143	0.8
173.09550	2.0
173.13264	15.2
177.00694	2.6
177.98076	2.9
183.11716	2.3
184.03488	1.1
186.10402	1.5
186.13976	1.7
191.02220	1.0
199.14720	0.9
201.09090	5.0
201.12746	19.1
201.16373	100.0
202.12897	0.9
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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.79708	0.7
53.03934	1.3
55.05510	4.2
56.96561	5.2
57.07061	2.7
59.93089	0.9
60.72434	0.8
61.09502	0.7
62.60171	0.7
63.31791	0.8
67.05509	6.3
69.03419	2.5
69.07059	3.6
79.05489	9.1
81.07056	17.2
83.04980	0.8
83.08611	1.5
84.96010	2.2
85.02912	0.8
91.05482	11.2
93.07051	17.0
95.04984	1.2
95.08607	13.2
98.97585	2.2
99.71254	0.8
102.97079	1.0
103.05463	1.1
105.07032	25.5
107.08602	18.7
109.10167	5.2
115.05444	3.0
116.98619	3.2
117.07016	13.1
118.96774	6.4
119.08574	14.9
121.06499	0.8
121.10142	7.1
128.06223	2.6
129.06995	4.2
130.07755	4.5
131.00128	1.4
131.08568	28.6
133.10129	9.7
133.99037	1.7
134.99686	4.7
142.07759	2.1
143.08583	5.2
144.09413	3.8
145.06454	1.9
145.10124	62.6
145.86034	0.8
146.10931	4.6
146.99655	0.9
147.11639	1.5
149.01195	3.2
153.00708	1.2
153.07007	2.2
154.96471	3.5
155.08572	8.6
157.10188	3.8
158.10858	1.9
159.08064	2.9
159.11691	36.5
162.99124	2.8
168.09312	1.3
171.08031	2.3
171.11681	3.0
172.08871	2.3
172.12421	1.3
173.09653	2.3
173.13275	12.1
176.04137	1.0
177.00702	2.2
177.98087	5.2
183.08043	6.7
183.11682	2.0
186.10373	2.5
186.14035	2.1
201.05475	1.8
201.09119	3.7
201.12796	15.5
201.16386	100.0
202.16702	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03926	1.4
55.01845	1.1
55.05503	2.4
56.96554	2.3
57.03411	1.2
57.07076	1.2
65.03957	1.0
67.05497	4.2
69.03428	2.7
69.07059	2.1
70.10800	4.4
71.04989	1.8
79.05489	5.6
81.07051	12.1
91.05470	18.8
93.07039	8.9
95.04969	3.1
95.08591	3.9
98.97566	1.1
103.05424	1.3
105.07023	27.3
107.08584	3.6
109.06551	1.8
109.10139	1.7
113.96239	0.8
115.05430	3.4
116.06218	2.8
117.06226	1.3
117.07018	20.1
118.96770	4.6
119.04908	1.8
119.08574	11.6
121.06521	1.3
128.06219	9.2
129.07001	12.0
130.07825	6.8
131.08559	53.0
133.06490	1.6
133.10114	3.7
134.99626	1.4
141.06940	4.1
142.07761	12.0
143.08560	29.0
144.09363	5.7
145.06473	7.4
145.10120	55.7
146.10497	1.3
147.08112	1.6
147.11650	0.9
153.06985	6.4
154.07800	1.3
154.96490	1.8
155.08565	13.9
156.09271	1.4
157.06424	1.6
157.10118	14.6
158.07242	3.4
158.10973	4.6
159.08069	19.2
159.11694	20.9
160.08778	1.6
168.09344	17.9
171.08057	2.5
171.11687	2.6
172.08873	5.2
173.09650	10.1
173.13266	39.1
177.98053	3.7
183.08063	1.5
183.11693	35.5
186.10468	4.4
201.05508	1.4
201.09108	4.2
201.12741	100.0
201.16367	16.0
202.13095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.22555	1.2
55.01883	1.3
55.05497	4.4
56.96570	10.9
57.03432	2.7
57.07063	4.2
59.93089	2.5
67.05489	5.6
69.03411	6.2
69.07053	3.5
70.06584	3.8
71.04983	1.7
71.06918	1.3
71.08611	1.5
71.60033	1.9
74.02554	1.1
79.05485	7.7
81.07061	17.5
83.08607	1.5
84.96029	4.2
85.02899	2.2
88.07622	4.6
89.07962	2.8
91.05476	23.8
93.07040	11.4
95.04988	2.4
95.08598	8.7
98.97573	4.3
102.09158	5.3
102.97070	1.5
103.09562	1.6
105.06371	2.4
105.07029	27.2
107.08578	6.9
109.06470	2.2
109.10090	1.3
115.05458	4.2
116.06229	2.6
116.98595	7.1
117.06996	23.6
118.96754	10.4
119.04947	1.7
119.08587	14.1
121.06476	4.2
121.10141	2.8
123.33216	1.3
123.68745	1.2
128.06190	8.2
129.07007	13.2
130.07828	8.5
131.00140	2.3
131.08566	68.7
133.10121	5.5
133.99045	2.2
134.99654	8.8
141.07007	6.6
142.07755	13.2
142.08650	1.4
143.08557	35.7
144.09355	6.3
145.06465	11.5
145.10121	69.6
149.01225	9.6
153.00665	2.5
153.06981	8.2
154.96486	3.2
155.08554	22.9
156.09340	2.4
157.10121	22.7
158.07310	5.0
158.10939	6.1
159.08043	20.6
159.11691	34.1
162.99211	6.1
167.02211	1.7
167.08536	1.9
168.09340	24.7
171.08069	3.1
171.11673	3.8
172.08839	6.9
173.09656	11.3
173.13268	43.9
177.00703	6.4
177.98055	5.4
181.00211	2.1
183.06441	1.2
183.08211	2.0
183.11694	37.0
186.10391	6.4
195.01804	1.5
201.05411	2.7
201.09132	5.3
201.12749	100.0
201.16370	32.9
201.20415	27.8
207.15874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03930	1.8
55.01869	0.9
55.05500	1.9
56.96561	1.8
57.03437	1.7
57.07053	1.5
65.03935	1.4
67.05502	5.5
69.03413	2.9
69.07053	3.4
70.85490	2.1
71.04996	1.0
79.05498	6.6
81.07053	12.1
86.09690	1.5
90.07614	0.6
91.05476	19.1
93.07040	9.5
95.04962	2.2
95.08610	5.1
98.78102	0.9
98.97586	1.0
103.05456	1.3
105.07031	30.6
107.08578	6.2
109.06530	2.3
109.10155	1.0
115.05452	3.5
116.06242	2.5
116.98614	1.1
117.07014	22.7
118.96759	1.1
119.04946	2.0
119.08581	11.7
121.06466	2.4
121.10117	1.8
128.06229	8.8
128.54607	0.9
129.06998	11.8
130.07800	5.9
131.08569	62.2
132.08900	0.9
133.10130	5.5
138.46304	0.7
141.07005	4.6
142.07787	10.0
143.08562	38.7
144.05656	1.5
144.09375	7.9
145.06480	7.3
145.10120	64.9
147.08099	1.0
149.51372	0.8
153.06953	5.5
154.07790	1.5
155.08565	19.4
156.09236	1.0
157.06537	0.9
157.10129	14.8
158.07268	3.5
158.10928	4.0
159.06815	1.3
159.08064	17.7
159.11687	22.5
160.08707	1.2
167.08611	0.9
168.09358	17.4
171.08069	2.3
171.11694	2.7
172.08800	4.3
173.09660	10.7
173.13266	45.6
183.11688	35.0
186.10406	3.7
186.13908	1.1
201.09035	2.3
201.12753	100.0
201.16371	17.9
202.13121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22555	1.2
55.01883	1.3
55.05497	4.4
56.96570	10.9
57.03432	2.7
57.07063	4.2
59.93089	2.5
67.05489	5.6
69.03411	6.2
69.07053	3.5
70.06584	3.8
71.04983	1.7
71.06918	1.3
71.08611	1.5
71.60033	1.9
74.02554	1.1
79.05485	7.7
81.07061	17.5
83.08607	1.5
84.96029	4.2
85.02899	2.2
88.07622	4.6
89.07962	2.8
91.05476	23.8
93.07040	11.4
95.04988	2.4
95.08598	8.7
98.97573	4.3
102.09158	5.3
102.97070	1.5
103.09562	1.6
105.06371	2.4
105.07029	27.2
107.08578	6.9
109.06470	2.2
109.10090	1.3
115.05458	4.2
116.06229	2.6
116.98595	7.1
117.06996	23.6
118.96754	10.4
119.04947	1.7
119.08587	14.1
121.06476	4.2
121.10141	2.8
123.33216	1.3
123.68745	1.2
128.06190	8.2
129.07007	13.2
130.07828	8.5
131.00140	2.3
131.08566	68.7
133.10121	5.5
133.99045	2.2
134.99654	8.8
141.07007	6.6
142.07755	13.2
142.08650	1.4
143.08557	35.7
144.09355	6.3
145.06465	11.5
145.10121	69.6
149.01225	9.6
153.00665	2.5
153.06981	8.2
154.96486	3.2
155.08554	22.9
156.09340	2.4
157.10121	22.7
158.07310	5.0
158.10939	6.1
159.08043	20.6
159.11691	34.1
162.99211	6.1
167.02211	1.7
167.08536	1.9
168.09340	24.7
171.08069	3.1
171.11673	3.8
172.08839	6.9
173.09656	11.3
173.13268	43.9
177.00703	6.4
177.98055	5.4
181.00211	2.1
183.06441	1.2
183.08211	2.0
183.11694	37.0
186.10391	6.4
195.01804	1.5
201.05411	2.7
201.09132	5.3
201.12749	100.0
201.16370	32.9
201.20415	27.8
207.15874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.01870	3.1
55.05501	3.2
56.96560	11.1
57.03423	3.1
57.07069	8.7
59.93106	7.5
62.29231	2.6
67.05501	4.7
69.03436	2.5
70.98397	5.3
72.08972	2.9
77.94124	6.2
78.29421	2.2
79.05500	5.8
81.07053	8.1
85.02908	2.9
85.13073	2.7
91.05492	13.1
93.07053	6.3
95.04955	6.0
95.08617	4.9
103.81293	2.6
105.07044	18.9
107.08582	5.5
109.06544	4.5
115.05463	3.6
116.06300	2.5
116.98633	3.1
117.07019	10.5
118.96771	61.8
119.08588	19.8
121.06512	2.6
127.03909	3.2
128.06253	14.0
129.07034	12.0
130.07689	3.1
131.08572	28.7
133.10095	3.1
133.99118	13.7
134.99669	5.1
141.07050	7.4
141.98291	5.1
142.07768	25.0
143.08557	40.5
144.09332	12.4
145.06480	6.9
145.10109	23.1
146.07213	2.8
149.01422	2.9
150.95734	6.9
153.07007	10.2
154.04616	3.6
154.96465	24.5
155.08569	23.0
156.09468	2.8
157.10136	35.0
158.10872	9.0
159.08098	21.5
159.11719	47.9
167.08661	4.9
168.09335	29.6
171.08069	5.0
171.11671	3.3
172.08827	8.1
172.97603	9.8
173.09608	9.5
173.13286	21.8
176.04089	6.1
177.98074	48.2
183.11703	42.7
186.10411	11.1
197.78189	3.1
200.99695	6.0
201.05501	4.4
201.07469	5.6
201.09180	5.5
201.12764	100.0
201.16344	13.1
201.24071	28.7
209.06007	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	199.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03941	0.8
55.01880	2.2
55.05508	2.9
56.96576	0.5
57.03417	0.4
57.07085	0.5
64.14638	0.3
65.03920	0.6
67.05493	0.6
69.03423	2.6
69.28522	0.3
71.59553	0.5
74.09712	1.8
79.05486	5.3
81.07051	1.1
86.09638	0.4
86.93658	0.3
91.05475	9.0
93.07048	2.3
95.04973	2.0
98.97586	0.9
100.07599	0.5
101.58916	0.4
103.05474	1.7
105.03387	0.7
105.07026	25.7
107.04957	1.7
107.08568	0.4
111.04414	0.5
115.05443	7.5
116.97211	1.0
116.98608	1.1
117.07014	4.2
119.04928	2.6
123.31774	0.4
126.18507	0.4
127.05380	0.5
128.06218	30.3
129.07004	38.8
130.07811	7.6
131.08554	4.7
133.06480	0.6
134.99673	0.9
141.06984	14.4
142.07780	13.5
143.08553	70.8
144.08865	1.4
145.06468	3.3
145.10118	19.6
146.10455	0.4
150.93011	0.3
152.96957	0.4
153.06998	3.4
154.07765	3.5
155.06036	1.5
155.08543	9.5
156.09340	26.3
157.06497	10.7
157.10123	4.9
158.07224	2.7
159.08058	0.8
165.06999	10.2
166.07788	16.9
167.08405	0.6
169.06490	3.0
169.10130	5.2
170.07285	1.2
171.08064	11.6
171.11684	55.3
172.11960	1.5
175.98531	1.0
179.08531	1.2
181.10114	26.8
182.10455	0.6
183.08035	1.6
184.05243	0.7
184.08821	10.4
199.11174	100.0
199.18878	7.1
200.11559	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03952	0.8
55.01858	3.2
55.05307	0.6
55.05516	7.2
56.05834	1.3
56.96558	4.2
57.03444	1.5
57.07067	2.1
57.93578	1.1
59.24196	0.7
65.03929	0.8
67.05499	2.7
68.27290	0.7
69.03430	5.6
69.07062	3.2
69.26846	2.0
69.27255	6.5
70.07378	1.1
71.08624	0.9
72.04504	1.8
72.08144	3.0
74.09718	10.3
74.14217	1.0
75.94593	1.4
79.05106	0.9
79.05495	8.1
81.07047	3.2
83.04982	1.3
83.08611	3.2
84.08168	1.0
84.08933	1.5
86.09715	6.2
87.05566	0.8
91.05482	8.2
93.07031	3.0
95.04958	2.2
95.08592	1.7
97.06560	1.3
97.10166	1.3
98.97595	7.7
100.07600	2.9
103.05462	2.1
105.03349	0.9
105.07029	33.8
107.04970	1.1
107.08605	1.7
111.04432	5.8
111.08144	0.9
115.05450	6.7
116.97234	10.3
116.98595	8.9
117.07048	3.6
119.04929	2.7
119.08569	1.5
121.10124	1.1
128.05252	1.6
128.06223	33.6
129.07011	34.0
130.07800	5.9
131.08582	5.3
131.99577	2.7
134.01248	0.9
134.99666	13.7
135.11714	0.8
139.03908	1.5
139.11174	1.1
140.04630	2.1
141.06989	16.6
142.07787	18.9
143.08560	85.8
144.08884	1.6
145.06447	3.0
145.10124	17.9
148.96185	1.0
152.96922	2.8
153.00681	4.5
153.06995	5.9
154.06657	1.6
154.07745	4.3
155.06032	2.1
155.08548	12.6
156.09355	41.1
157.06511	9.2
157.10130	10.8
158.01262	1.3
158.07214	2.7
165.07001	12.1
166.06364	1.1
166.07787	20.9
169.06537	4.2
169.10147	7.9
171.08058	14.1
171.11694	70.6
172.11992	2.2
175.03922	1.7
175.98555	6.0
176.02255	1.5
179.08589	1.4
181.07660	1.4
181.10121	34.7
183.08002	1.6
184.08841	14.7
199.07445	2.4
199.11182	100.0
199.14957	2.2
199.18889	46.5
200.11519	2.7
217.05023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.61123	0.8
55.01872	2.2
55.05509	2.6
61.57468	0.5
65.03944	0.7
67.05509	1.0
69.01488	0.5
69.03435	4.1
69.07066	0.7
69.37070	2.9
69.37508	2.5
74.09723	0.8
79.05499	6.7
91.05470	6.9
93.07047	2.2
95.04975	1.6
98.97554	0.7
103.05462	1.5
105.07029	34.0
107.04958	1.1
115.05460	8.1
116.97266	0.8
116.98660	0.8
117.06970	3.1
119.04963	1.5
127.05439	0.8
128.05260	1.5
128.06215	31.6
129.07007	34.2
130.07808	6.4
131.08557	5.6
141.06990	13.9
142.07768	17.0
143.08556	82.7
144.08913	2.3
145.06517	3.2
145.10118	15.2
153.07004	5.0
154.07779	3.4
155.06023	1.6
155.08549	11.1
156.09338	37.9
157.06493	9.3
157.10139	10.8
158.07230	2.5
165.07002	14.6
166.07779	23.8
167.08351	1.0
168.09399	0.7
169.06503	3.2
169.10121	6.9
170.07278	1.1
170.10919	1.0
171.08078	13.2
171.11682	68.0
172.12039	1.7
179.08582	1.3
181.10123	34.0
182.10501	1.6
183.08037	2.0
184.08830	12.7
184.12434	1.4
185.09221	0.9
199.11174	100.0
199.14789	4.6
199.18881	9.1
200.11522	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1116
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
55.01860	2.2
55.05502	2.3
57.03431	1.0
66.76146	0.6
67.05495	1.0
68.71783	0.5
69.03429	4.6
69.80555	4.3
74.73310	0.6
79.05498	3.5
81.70972	0.6
91.05476	6.3
93.07005	1.3
95.04978	1.9
103.05483	1.2
105.07025	30.6
107.04942	0.9
115.05442	5.7
117.07020	2.7
119.04921	2.4
128.06215	33.4
129.07010	28.7
130.07803	5.9
131.08582	5.3
141.06987	15.8
142.06746	1.1
142.07776	16.2
143.08554	78.3
144.08919	1.6
145.06453	3.7
145.10109	16.4
152.77365	0.6
153.06993	4.6
154.07759	3.6
155.05998	1.7
155.08542	12.4
156.09343	39.2
157.06480	6.7
157.10135	6.4
158.07224	3.4
165.07002	14.4
165.31444	0.7
166.07777	23.9
167.08237	1.1
169.06470	2.8
169.10126	6.4
170.07286	1.0
171.08072	12.5
171.11676	65.6
172.12073	1.2
179.08525	1.8
181.10121	31.6
182.10576	1.3
183.08047	2.1
184.08836	12.4
194.68576	0.7
199.11172	100.0
199.18826	1.6
200.11494	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	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31878	0.2
52.05554	0.2
55.05490	0.2
56.96567	0.3
57.07052	0.2
57.42252	0.2
58.06603	0.2
60.02068	0.2
60.08163	25.0
68.05030	7.0
69.07068	0.3
70.06591	1.9
70.44527	0.8
70.44864	0.2
73.02904	0.4
79.86452	0.2
83.06116	0.2
85.02899	0.3
85.08798	0.2
95.06088	100.0
96.05869	0.3
96.06394	1.1
110.07176	0.8
111.05551	1.1
119.01879	0.7
139.05034	0.6
143.01820	0.2
152.07019	0.2
154.13387	25.5
155.13791	0.5
161.02962	0.3
165.08951	0.4
170.06673	0.4
198.06134	0.4
198.07658	0.3
198.12386	5.7
198.18501	2.8
216.07216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1117
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03957	1.1
55.01882	3.1
55.05507	2.7
56.23079	0.5
65.03946	1.1
69.03427	6.6
69.56240	2.7
69.56648	1.3
79.05492	6.4
81.07069	0.8
91.05476	7.9
93.07048	1.8
95.04961	1.3
103.05463	2.5
105.03414	0.6
105.07027	37.2
107.04990	0.9
115.05446	8.4
115.06165	0.9
117.07024	4.1
119.04977	2.7
127.05483	0.6
128.06221	41.3
129.07008	39.1
129.08025	0.6
130.07816	7.2
131.08582	6.6
141.06985	20.7
142.07780	19.4
143.08559	99.9
144.08865	2.1
145.06482	4.7
145.10118	18.0
153.06978	5.7
154.07756	6.1
155.06021	1.9
155.08557	17.5
156.09344	48.9
157.06493	10.0
157.10126	9.1
158.07291	3.2
165.05594	0.6
165.06996	17.4
166.07787	26.7
167.08430	0.7
169.06467	4.9
169.10114	6.8
170.07214	1.0
170.10869	0.5
171.06625	1.2
171.08066	15.4
171.11690	73.2
172.12015	2.1
179.08551	1.6
181.10117	38.8
182.10500	0.9
183.08038	2.1
184.08844	15.2
185.09175	1.0
197.09535	0.7
199.11179	100.0
200.11530	3.6
200.83971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	23.4
67.04243	0.3
68.05034	6.5
70.49097	0.5
82.71774	0.2
95.06094	100.0
96.06422	1.0
111.05556	0.7
122.07104	0.3
139.05038	0.4
154.13399	24.4
155.13763	0.3
156.97472	0.7
165.09013	0.4
174.98595	1.2
198.12384	5.4
198.14099	0.4
198.18596	0.7
216.99612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
50.16750	0.6
53.03946	1.6
55.01862	3.2
55.05509	29.5
57.03433	4.4
57.07069	3.3
59.05001	1.1
61.57047	0.7
65.03931	1.4
67.05502	39.9
69.03423	1.6
69.07065	27.2
71.04987	12.7
71.60247	0.9
71.60613	0.8
73.06564	1.2
79.05491	19.7
81.07053	85.6
82.07385	0.8
83.04974	5.5
83.08614	22.8
83.63972	0.6
85.02917	0.7
85.06541	15.3
85.07010	1.4
87.04455	0.9
91.05478	24.6
91.59958	0.6
93.07042	26.0
95.04970	3.2
95.08602	100.0
96.08945	0.9
97.06528	27.9
97.10170	8.9
99.08091	5.7
101.06010	1.6
105.07028	27.7
107.08583	15.4
107.09279	1.0
109.06508	5.0
109.10146	7.0
111.08067	4.6
111.98503	0.7
113.06000	0.9
113.09639	1.8
115.07566	2.1
117.07009	2.2
119.08576	37.6
120.08898	0.9
121.10136	11.7
123.08086	9.1
127.07546	2.5
131.08594	1.0
132.95757	1.1
133.10123	33.0
135.11682	20.1
137.09628	3.7
137.13242	21.6
141.06963	1.4
141.09149	1.2
150.96904	3.2
151.11171	1.0
161.13249	59.5
169.10133	0.7
173.98508	1.7
179.10768	3.7
179.14310	26.6
180.14641	1.1
197.00029	0.8
197.09665	1.6
197.11728	2.3
197.13290	2.4
197.15387	8.8
198.18523	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0761
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03930	0.9
55.01857	1.0
55.05509	6.3
55.93525	0.6
56.05030	0.6
56.96552	1.3
57.03428	0.5
57.07076	3.6
58.06598	0.5
60.08161	1.1
66.99554	0.5
67.05486	1.4
67.85442	0.5
68.05013	0.8
69.07068	5.3
70.06580	1.6
70.51653	1.5
71.04963	0.6
71.08617	1.6
72.04505	0.7
72.08141	0.9
72.93781	0.6
74.02446	2.8
78.65861	0.4
79.05491	4.5
80.05006	1.4
81.03423	0.8
81.07050	1.6
81.07662	0.4
82.06572	0.6
83.04959	1.0
83.08628	4.1
84.08126	0.7
85.10194	0.5
86.06038	1.3
86.09704	0.5
91.05451	1.0
91.86217	0.4
92.04997	0.6
93.07030	0.9
94.06542	0.5
95.04935	1.4
95.06104	4.0
95.08588	1.2
96.08107	0.6
97.06522	1.0
97.10172	2.5
98.06099	0.4
98.97559	0.7
100.07607	0.8
106.06557	6.4
107.04959	13.3
107.08569	0.8
108.05742	0.6
109.02819	0.7
110.09743	0.5
111.04432	2.0
114.09189	0.6
116.97221	1.0
116.98592	1.0
118.06545	2.0
119.04893	0.7
121.10133	0.7
124.07576	0.7
125.05997	1.2
126.05469	0.7
134.05002	0.5
134.06013	8.6
134.99628	0.7
135.04408	15.9
136.07555	0.8
137.05937	0.4
138.05528	0.6
139.03900	4.7
146.99640	0.4
150.96913	1.1
152.07068	34.7
154.13358	0.6
155.05771	0.7
155.99664	0.5
162.39256	0.4
162.87674	0.5
163.03899	1.5
170.08083	2.6
174.00731	0.8
179.76259	0.4
180.06490	2.6
181.04935	2.6
198.07588	7.5
198.11230	1.5
198.18527	100.0
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
53.61728	1.3
55.01858	4.0
55.05259	2.1
55.05508	30.0
57.03427	3.7
57.07068	4.6
57.12471	1.4
66.69634	1.3
67.05164	2.6
67.05501	33.6
69.03403	2.2
69.06716	2.1
69.07066	30.2
69.83849	9.5
71.04992	17.2
75.33831	1.2
79.05495	21.3
81.07053	81.1
83.04974	5.7
83.08624	22.2
84.33678	1.3
85.06551	14.3
87.04446	1.8
91.05476	23.5
93.07041	27.6
95.04966	4.4
95.08602	100.0
97.06526	29.8
97.10161	8.5
99.08074	5.0
105.06365	2.7
105.07028	27.9
107.08585	17.4
109.06487	2.1
109.10141	9.3
111.08069	6.9
115.23752	1.3
119.08577	37.7
121.10144	10.0
123.07314	1.5
123.08036	9.0
127.07555	2.2
133.10118	31.1
133.34158	1.4
135.11702	22.3
137.09581	4.0
137.13246	20.7
141.09138	1.9
150.96877	2.9
155.97374	1.7
161.09622	2.0
161.13251	63.7
169.10091	2.4
173.98424	2.1
179.10675	5.1
179.14299	24.1
193.50613	1.4
197.09622	1.3
197.11707	4.1
197.13454	3.0
197.15367	13.0
198.18524	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03941	1.6
55.01873	3.9
55.05509	29.0
56.96550	0.7
57.03437	4.4
57.07069	3.9
59.04991	1.6
61.19418	0.5
65.03934	2.3
67.05502	40.4
68.05849	0.8
69.03398	2.5
69.07066	28.6
69.50694	4.5
70.51708	0.5
70.95876	3.0
71.01348	0.5
71.04990	17.4
72.10330	0.5
72.93777	2.1
73.06547	1.0
77.03944	0.4
79.05492	25.6
79.09130	0.6
81.07053	86.1
83.04989	5.8
83.08617	21.0
85.02894	1.2
85.06540	22.6
87.04453	2.3
88.96905	0.9
91.04888	0.7
91.05476	29.2
93.07040	33.6
95.04967	5.1
95.08602	100.0
96.08918	1.0
97.06530	38.4
97.10159	6.5
98.97540	0.5
99.08077	5.7
101.06000	1.0
103.05480	0.6
105.07028	30.4
106.07377	0.5
107.08591	31.6
109.06522	5.8
109.10148	8.9
111.08081	6.7
111.11713	0.6
111.98471	2.2
113.05961	0.8
113.08279	2.8
113.09618	1.9
115.05433	1.2
115.07563	2.0
116.98644	1.0
117.07037	2.0
119.04952	0.8
119.08577	39.2
121.06479	1.6
121.10133	9.9
123.04433	1.7
123.08060	8.1
123.11704	1.7
125.05950	1.1
125.09635	0.8
127.03885	0.5
127.07572	1.6
129.99503	2.2
131.08574	0.9
132.95842	2.9
133.10126	43.5
134.10506	0.7
135.08043	0.7
135.11684	30.5
137.06009	2.6
137.08257	1.1
137.09601	4.6
137.13249	14.7
138.06715	1.7
139.03900	0.7
141.07024	1.2
141.09093	0.9
149.13231	0.8
150.96878	10.4
151.03920	1.8
151.07547	1.1
151.11188	2.5
151.14795	1.0
152.02292	0.6
153.06947	0.7
154.06284	1.0
155.09258	1.9
155.10576	0.7
155.97423	3.0
159.11621	0.6
161.09656	7.4
161.13251	53.6
162.13553	0.9
165.05577	0.6
167.08609	0.8
167.14291	0.7
169.08641	0.8
169.10051	1.1
173.98488	5.6
179.09294	1.4
179.10675	23.3
179.14299	23.7
182.07306	0.6
197.05934	1.9
197.07988	1.2
197.09886	1.0
197.11719	16.2
197.13266	1.1
197.15346	13.7
198.18523	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	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03957	2.1
55.01875	4.6
55.05261	1.8
55.05510	27.2
57.03429	5.9
57.07064	5.7
61.48267	1.6
63.76713	1.4
65.03923	2.1
66.42073	1.3
67.05164	2.9
67.05502	38.5
69.03443	2.5
69.07060	28.9
69.57787	8.1
69.58197	3.2
70.95866	3.8
71.01349	6.1
71.04992	15.2
72.93787	2.5
72.94666	1.4
73.02889	1.5
79.05492	20.9
81.07053	81.6
83.04977	8.9
83.08617	22.5
85.06545	18.0
87.04448	2.4
88.51450	1.7
91.05479	25.8
93.07047	25.2
95.04966	6.2
95.08604	100.0
97.06526	31.5
97.10172	7.1
98.21474	2.7
99.04476	1.5
99.08076	7.5
101.05933	1.7
105.07034	31.1
107.08596	25.7
109.06511	6.1
109.10152	11.1
111.04473	3.1
111.08067	7.5
111.98454	3.0
113.05971	1.9
113.08234	4.7
117.07026	2.8
119.04953	1.7
119.08568	37.0
121.06472	2.0
121.10145	12.4
123.04444	1.8
123.08058	11.8
123.11752	2.0
129.99513	3.4
132.95839	5.0
133.10126	29.6
135.11687	26.9
136.05203	1.9
137.05966	2.8
137.08130	1.8
137.09618	6.1
137.13257	21.8
150.96873	13.0
151.03957	2.4
151.07539	2.8
153.07082	2.6
154.06252	6.1
154.07625	1.3
155.08420	1.7
155.10637	4.0
155.97408	4.0
156.90845	1.5
161.09651	4.3
161.13254	62.7
169.08710	2.4
169.10176	2.4
173.98474	9.1
179.10678	10.6
179.14279	29.6
182.05704	2.4
182.07237	1.8
197.08073	6.7
197.09917	3.2
197.11797	9.3
197.13341	3.9
197.15344	9.9
197.17024	2.2
198.18529	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	197.1537
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03936	2.6
55.01871	4.2
55.05257	2.0
55.05512	29.1
55.40775	1.3
56.96550	2.7
57.03424	3.3
57.07066	4.4
60.18255	1.0
61.09643	1.1
65.03950	1.7
67.05504	32.8
69.03436	1.3
69.07068	28.5
70.78194	2.8
70.95853	3.8
71.04995	13.6
72.93786	3.5
73.02938	1.5
73.06544	1.7
74.67887	1.2
78.31433	1.1
79.05487	22.9
81.07056	78.2
83.04992	7.9
83.08612	21.9
85.06548	17.8
88.96912	1.3
91.04903	1.5
91.05484	23.1
93.07045	27.1
95.04959	3.9
95.08607	100.0
97.06531	29.9
97.10170	7.4
99.08108	6.4
105.07031	28.2
107.08599	17.3
109.06524	6.3
109.10149	9.0
111.08074	7.0
111.98450	3.1
113.08271	3.7
114.18209	1.1
115.07626	1.6
117.07053	1.3
119.08580	43.1
121.10135	11.7
123.08084	9.3
123.11674	1.6
125.05997	1.5
127.07533	2.4
129.99510	3.2
131.33952	1.5
132.95804	5.5
133.10120	32.6
135.11682	27.9
137.08226	1.7
137.09633	3.9
137.13255	23.5
138.06702	1.3
141.09096	2.3
146.36995	1.3
150.96883	18.2
151.03922	4.2
151.11194	3.0
151.14844	1.3
154.07805	1.3
155.97400	5.4
161.09622	2.6
161.13258	66.6
162.13615	1.1
167.08609	1.5
169.10114	2.0
173.98474	11.2
174.80978	1.1
179.09329	1.7
179.10706	8.9
179.14313	36.9
196.95575	1.2
197.05827	1.4
197.08075	1.7
197.09782	2.9
197.11717	4.2
197.13429	2.6
197.15364	12.5
198.18523	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
55.01863	5.0
55.05510	31.6
56.96569	2.8
57.03436	6.0
57.07077	9.9
64.85941	3.1
67.05508	36.6
69.07071	34.1
70.34312	9.0
70.95856	9.1
71.04991	16.5
71.71815	2.3
72.93794	3.9
73.01764	2.8
73.63213	2.6
79.05490	18.5
81.07061	87.2
83.04983	4.9
83.08604	19.3
85.06561	12.3
91.05485	26.6
93.07034	28.3
95.04967	6.3
95.08606	100.0
97.06541	17.1
97.10162	12.2
99.08076	4.0
105.07029	39.6
107.08595	29.9
107.48329	2.7
109.06532	7.2
109.10155	12.7
111.08032	3.0
111.98488	4.1
119.08572	48.1
121.10147	17.5
123.08073	9.0
123.11672	2.9
129.99527	4.4
132.95819	5.7
133.10109	39.9
135.11697	38.8
137.09618	3.2
137.13263	46.5
138.06824	3.0
141.09155	4.8
141.73875	3.1
150.96909	18.9
151.03922	2.9
151.14786	5.6
154.07790	2.6
155.08569	7.1
155.97446	5.5
161.09711	5.7
161.13261	78.7
169.10165	2.6
173.98561	12.7
174.34044	2.8
179.10706	8.2
179.14319	42.4
182.10950	3.3
183.50345	2.8
197.11646	9.2
197.13324	10.4
197.15396	6.6
197.17175	2.9
198.18533	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	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
50.22313	2.0
53.03919	2.5
55.01862	4.6
55.05510	29.7
56.96553	13.2
57.03431	3.6
57.07070	4.3
59.31282	1.9
64.27670	2.0
67.05504	44.7
68.96643	2.0
69.07066	26.8
71.04996	13.7
71.08590	2.4
79.05493	22.1
81.07056	77.2
83.04993	4.3
83.08615	20.2
85.06548	23.1
90.98503	2.4
91.05476	25.2
93.07053	24.3
95.08605	100.0
96.08862	2.1
96.17112	1.9
97.06530	37.8
97.10178	10.4
99.08080	6.1
105.07029	30.1
107.08584	20.7
109.06507	5.2
109.10131	6.1
110.72456	2.1
111.08062	5.6
118.99780	2.2
119.08593	40.1
121.10180	10.5
123.08048	7.4
133.10129	33.9
135.11684	26.6
137.09593	3.9
137.13246	29.2
150.96866	6.2
151.14839	2.2
153.70706	2.1
155.97357	2.8
161.13263	79.1
179.10687	3.4
179.14304	41.4
190.06062	2.0
197.09636	2.7
197.11652	3.7
197.13623	3.9
197.15343	15.0
198.18568	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03959	1.2
55.01875	0.8
55.05509	3.5
57.03444	0.8
57.07068	1.2
59.05007	3.0
63.96256	0.5
65.03954	0.8
67.05505	5.8
69.03426	1.5
69.07070	1.6
70.95869	1.8
71.01333	0.5
71.05032	0.8
73.02924	0.8
79.05490	5.6
81.07059	6.7
83.04979	0.6
83.08604	0.7
85.06512	1.0
88.96918	0.7
91.05480	18.0
93.07043	23.7
94.07864	0.7
95.04965	9.6
95.08603	3.1
97.02784	0.6
97.06494	0.6
98.21509	1.3
98.21959	0.7
103.05495	0.7
105.04564	0.6
105.07030	33.6
107.04955	1.0
107.08592	67.6
109.06530	6.9
109.10165	6.7
111.98470	1.6
113.08251	1.6
115.05458	1.0
117.07049	1.2
118.07815	0.6
119.01874	0.6
119.04942	2.2
119.06088	0.7
119.08576	7.6
120.09367	0.8
121.06507	6.5
121.10161	1.4
123.04441	3.6
123.08054	1.0
123.11703	3.6
125.05991	0.9
129.02122	0.6
129.99541	1.2
131.08571	2.3
132.95833	2.0
133.06516	1.2
133.10127	72.8
134.10408	0.6
135.08090	2.0
135.11688	57.7
137.05977	4.2
137.08194	0.5
137.08575	0.7
137.09599	6.1
138.06699	0.7
139.07538	0.6
141.05412	0.7
141.07013	0.6
143.08531	1.9
146.07291	1.9
150.96841	6.0
151.03975	2.6
151.11182	6.6
154.06259	0.7
155.97443	1.2
161.09618	35.5
167.72363	0.6
169.08670	0.9
169.10088	0.9
173.98528	3.4
179.10667	100.0
197.00038	0.7
197.11726	68.7
198.18581	0.6
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	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	1.9
55.01864	6.6
55.05511	24.0
55.93521	0.7
56.96545	2.2
57.03430	1.2
57.07067	1.9
62.22684	0.6
64.86176	0.6
67.05508	5.2
69.03436	5.3
69.07058	1.3
70.95573	0.6
70.95874	7.1
71.04987	2.2
71.06098	1.3
71.59277	0.7
71.59686	0.7
72.93787	4.5
73.02908	1.9
79.05496	6.7
81.03423	1.2
81.07055	24.2
83.04987	1.5
83.08611	0.9
84.82777	0.7
85.02912	1.2
85.06529	0.7
86.06085	0.6
88.96899	1.9
90.94814	1.3
91.05489	7.2
93.07038	6.2
95.04977	3.9
95.06079	1.2
95.08601	7.7
96.05634	0.8
97.02879	1.3
97.06536	11.1
98.97578	1.1
99.04458	11.9
105.03392	4.6
105.07029	9.1
107.04966	1.0
107.08604	11.9
108.95894	0.9
109.06521	13.0
109.10169	3.3
111.04451	1.5
111.08143	0.7
111.98488	5.6
113.08280	6.2
113.96412	1.1
115.05426	1.3
116.98654	1.4
117.07052	1.0
119.01909	1.0
119.08575	3.8
121.10136	1.0
123.04450	1.9
123.08048	1.5
123.11708	2.1
125.05992	100.0
127.03915	34.3
128.06209	1.2
129.99547	3.5
132.95842	6.3
133.02890	1.0
133.10133	13.7
134.99680	1.4
135.11714	8.0
137.05975	84.2
137.08208	2.5
137.09605	2.2
137.13316	0.8
138.06673	2.0
141.05424	0.8
141.07008	2.5
143.08632	3.2
145.04958	3.0
146.07245	0.7
150.96893	22.3
151.03909	6.2
151.07564	1.7
151.11224	3.1
153.06937	1.5
154.06369	1.4
154.07758	3.5
155.09319	3.7
155.97403	7.5
161.09615	13.6
161.13300	2.8
165.05478	1.0
167.08472	1.5
168.97945	2.1
169.08685	1.4
169.10123	4.5
173.98499	14.3
177.00644	1.1
179.07037	1.4
179.08386	1.5
179.09068	1.7
179.10669	21.1
179.14279	2.3
181.05019	1.3
182.05768	2.8
182.07239	1.5
185.04021	0.9
197.06039	1.8
197.08022	4.0
197.09732	4.9
197.11745	11.6
197.13330	1.0
197.15346	1.0
197.17191	0.9
198.18513	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.67722	0.4
53.03936	0.6
55.01862	0.7
55.05510	1.5
57.03440	0.6
59.05000	1.5
65.03945	0.8
67.05511	2.0
69.07070	0.5
69.38260	1.4
69.38679	3.0
70.95859	1.0
72.93785	0.6
79.05497	3.8
81.07071	4.1
83.04952	0.6
83.32013	0.4
91.05482	16.2
93.00134	0.4
93.07044	9.7
95.05001	2.4
95.08610	2.0
97.06527	0.7
98.97581	0.8
103.05436	0.6
105.07027	20.4
107.08591	100.0
108.08939	0.5
109.06516	4.7
109.10162	3.9
111.98483	0.8
113.08253	0.8
116.98647	0.5
117.07020	0.8
118.07763	0.5
119.04922	1.2
119.06094	0.5
119.08587	5.9
121.06520	3.3
121.10144	3.2
123.08054	1.2
123.11710	1.6
125.05981	0.7
129.99539	0.6
131.08577	1.9
132.95834	0.9
133.10129	58.8
133.22891	0.5
134.10481	0.6
135.08037	0.8
135.11687	11.9
137.05949	2.2
137.09607	3.0
139.07526	0.8
143.08571	1.0
146.07268	1.4
149.09598	1.0
150.44617	0.5
150.96866	3.2
151.03990	0.9
151.07573	1.0
151.11176	6.2
154.27136	0.4
155.09285	0.7
155.97450	0.6
161.09615	16.0
161.10931	0.9
167.10655	4.6
173.98482	2.0
179.10669	25.3
180.06618	0.6
197.11729	44.3
213.65984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03936	0.8
55.01859	0.8
55.05506	2.7
56.96583	0.6
57.07068	0.9
59.04998	1.3
65.03947	0.7
67.05508	4.1
69.03429	1.3
69.07066	1.1
70.90824	1.1
70.95866	2.3
71.05001	1.3
71.06103	0.7
72.93782	1.2
79.05485	4.5
81.07056	8.7
83.04967	1.3
83.08620	1.0
85.06537	1.3
87.04517	0.5
88.96917	0.9
89.09931	0.6
91.05479	21.7
93.07050	11.5
95.04974	3.0
95.08595	6.2
97.06537	2.2
99.04473	0.9
99.08092	0.5
103.05463	0.6
105.07028	22.2
107.08592	100.0
108.08929	0.9
108.47275	0.6
109.06524	5.5
109.10162	6.2
111.04488	0.7
111.08066	0.8
111.98489	2.2
113.08250	3.5
115.05427	0.9
117.07043	1.1
118.07761	0.5
119.04959	1.3
119.08574	6.7
121.05747	0.6
121.06492	2.8
121.10138	2.6
123.04461	0.6
123.08084	1.7
123.11700	2.3
128.06184	0.5
129.99516	2.1
131.08563	1.8
132.95854	2.7
133.10130	55.4
135.08066	0.6
135.11696	13.7
137.06012	3.4
137.08203	1.2
137.09621	3.5
137.13322	0.5
138.06746	1.2
139.07516	0.8
141.07080	0.6
143.08530	1.1
145.21921	0.5
146.07265	1.6
149.09608	1.2
150.96883	8.2
151.03889	1.4
151.07523	1.3
151.11174	6.5
153.05446	1.1
154.06236	1.0
155.08430	0.5
155.09413	0.6
155.97450	3.1
161.09630	15.2
161.13260	1.3
165.05466	0.7
167.08556	1.0
167.10699	3.2
169.10095	0.9
173.98506	6.3
179.10667	27.6
179.14308	0.8
181.02267	0.6
182.07236	0.7
182.10905	1.0
197.08026	1.4
197.11726	47.0
197.13185	2.1
198.18666	1.0
200.97260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.00322	0.5
53.03946	2.1
55.01865	4.9
55.05510	22.5
56.96568	3.9
57.07076	0.7
59.41727	0.6
62.98486	0.6
63.02377	0.5
65.03435	0.5
67.05501	2.9
69.03423	4.2
69.07071	2.3
70.76391	1.3
70.95853	4.8
71.01373	1.0
71.04987	1.4
72.93786	2.2
73.02924	1.2
77.03938	0.9
79.05492	5.4
81.03421	1.6
81.06576	0.9
81.07056	18.4
83.04984	1.3
83.08614	0.6
84.96097	0.5
85.02904	0.7
85.06561	0.7
88.96899	1.3
90.94844	1.3
91.05487	6.4
93.07035	4.4
95.04978	4.2
95.08609	3.4
96.05582	0.6
97.02888	1.3
97.06524	9.3
98.97585	2.6
99.04456	11.9
105.03415	1.5
105.07028	9.0
107.04955	1.6
107.08592	9.8
109.06512	11.3
109.10176	2.9
111.04475	1.5
111.08073	1.0
111.98471	3.2
113.08263	4.3
113.96371	0.6
116.98604	3.9
119.01926	2.0
119.04929	1.2
119.08590	4.0
121.10146	1.4
123.04420	1.1
123.08063	5.9
123.11698	1.7
125.05991	100.0
127.03915	35.9
128.06245	2.0
129.99509	2.8
131.08586	1.4
132.95840	4.7
133.10129	18.3
133.56151	0.9
134.10463	3.7
134.99678	2.3
135.08073	1.1
135.11699	4.3
137.05977	84.1
137.08212	2.1
137.09587	1.6
138.06650	2.0
139.07552	0.7
141.05434	1.1
141.07039	0.9
143.01917	0.7
143.08569	2.6
145.04971	2.6
146.07246	0.7
146.99661	1.1
147.11765	0.9
150.96892	15.6
151.03935	3.4
151.05017	1.1
151.07637	1.5
151.11209	4.0
153.06873	0.7
154.06248	1.4
154.07784	1.2
155.07025	0.9
155.09256	2.2
155.97433	4.9
161.01347	1.0
161.02991	1.8
161.09599	12.0
168.97899	0.8
169.08646	1.1
169.10098	1.9
173.98485	8.6
179.09198	1.3
179.10660	15.7
181.06398	0.7
182.05763	1.3
182.07253	0.6
197.00212	0.8
197.06087	0.7
197.08022	2.6
197.09898	1.2
197.11751	10.8
197.13390	0.8
197.17204	0.6
198.18523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.31254	0.4
53.03936	0.8
54.26888	0.3
55.01877	2.0
55.05502	0.7
55.93526	0.3
56.96553	1.1
57.07063	0.5
65.03945	1.8
65.49535	0.3
67.05503	3.0
68.05018	0.6
69.03416	0.5
70.44410	0.3
70.95861	3.1
71.01356	0.6
71.17307	0.7
72.93786	1.7
73.02921	19.3
77.03935	0.4
79.05495	0.8
81.03395	0.5
81.07069	0.8
84.04506	0.4
85.02921	0.4
85.07612	0.3
86.06102	0.3
88.96906	0.8
89.03930	0.4
90.94842	0.7
91.03925	0.9
91.05479	3.6
93.03410	0.6
93.07039	1.1
95.01354	0.4
95.04978	2.9
95.06091	0.7
95.08596	0.8
96.05623	0.5
105.07026	1.6
107.04955	0.8
107.08601	2.6
108.02105	2.1
109.02885	0.8
109.06528	1.2
109.10170	0.7
110.03678	2.9
111.04449	3.1
111.98492	2.1
112.01590	0.4
113.08262	3.6
113.96416	0.4
116.98586	0.4
119.04948	2.2
119.08549	0.7
123.04446	1.0
125.05996	15.7
129.99519	1.6
131.97472	0.5
132.95834	2.8
133.02840	0.6
133.10143	2.0
134.99605	0.4
135.11691	1.9
136.01547	0.5
136.55981	0.4
137.05975	7.8
137.08228	0.9
137.09624	0.8
138.06619	0.8
141.05463	5.7
143.07014	0.4
145.04817	0.3
149.05968	2.1
150.96896	9.3
151.03908	100.0
151.04997	7.2
151.07434	3.2
151.11205	0.5
152.04263	1.1
154.07787	0.5
155.09317	1.7
155.97430	2.7
161.09596	1.1
168.97969	0.7
169.08698	0.7
173.98491	6.6
179.07045	19.0
179.09293	0.8
179.10530	2.7
182.07260	0.7
197.00073	0.5
197.06160	0.5
197.08101	5.9
197.09795	1.0
197.11694	1.6
197.13284	0.4
198.18509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03938	0.6
55.01871	2.4
55.05503	0.5
56.96565	3.2
57.03426	0.6
57.07078	0.4
61.02908	0.2
65.03940	2.1
67.05505	2.1
68.05008	0.4
68.99769	0.2
69.03415	1.1
69.07064	0.5
69.76315	0.6
69.76734	0.9
70.95863	2.4
71.01366	0.3
71.04974	0.4
71.06124	0.4
72.93783	1.6
73.02917	18.2
79.05487	0.7
81.03406	0.8
81.04537	0.2
81.07045	0.9
83.04978	0.3
83.06102	0.3
84.02068	0.3
84.04505	0.8
85.02908	1.4
85.06554	0.2
86.09705	0.3
87.84178	0.2
88.96912	0.6
90.94825	0.2
91.03950	1.0
91.04958	0.3
91.05476	3.4
93.03391	0.7
93.07032	0.9
95.04969	2.4
95.06097	0.5
95.08607	0.6
96.05643	0.4
97.02885	0.9
97.06476	0.4
97.07633	0.3
98.97580	0.6
99.04496	0.2
105.07017	1.3
107.04945	2.2
107.08585	1.8
108.02101	2.2
109.02866	0.6
109.06510	0.7
109.07639	0.4
109.10215	0.3
110.03655	2.7
111.04449	3.0
111.98487	2.0
112.01591	0.2
113.08261	2.8
113.96436	0.3
116.98628	0.7
117.03352	0.3
119.01907	0.6
119.04958	2.4
119.08560	0.6
121.06500	0.2
121.10146	0.3
123.04425	0.5
123.08057	0.3
125.05992	14.2
127.03934	0.5
129.99504	1.5
131.08545	0.4
131.97443	0.3
132.95801	2.3
133.02881	0.3
133.10127	2.4
134.99719	0.4
135.04404	0.7
135.11707	1.4
136.01503	0.5
137.05988	2.6
137.08195	1.0
137.09644	0.3
138.06694	0.7
141.05466	5.1
143.01820	0.3
143.08546	0.2
146.99667	0.4
148.02861	0.5
149.05974	3.0
150.96902	8.3
151.03909	100.0
151.05002	8.0
151.07445	3.9
152.04285	1.0
153.01096	0.2
154.06213	0.3
154.07733	0.3
155.09335	1.4
155.97403	2.3
156.07648	0.2
161.01323	0.3
161.02960	0.9
161.09622	0.8
165.05467	0.2
168.97980	0.6
169.08626	0.3
172.95239	0.2
173.98488	5.0
174.00769	0.3
177.00679	0.2
179.07036	17.6
179.09264	0.6
179.10489	1.8
180.07478	0.3
182.07332	0.3
186.03615	0.2
192.01837	0.3
195.04173	0.7
197.08098	4.6
197.10014	0.5
197.11758	1.5
197.17313	0.3
198.18578	0.9
199.02826	0.4
209.01186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01871	2.4
55.05503	0.5
56.96565	3.2
57.03426	0.6
57.07078	0.4
61.02908	0.2
65.03940	2.1
67.05505	2.1
68.05008	0.4
68.99769	0.2
69.03415	1.1
69.07064	0.5
69.76315	0.6
69.76734	0.9
70.95863	2.4
71.01366	0.3
71.04974	0.4
71.06124	0.4
72.93783	1.6
73.02917	18.2
79.05487	0.7
81.03406	0.8
81.04537	0.2
81.07045	0.9
83.04978	0.3
83.06102	0.3
84.02068	0.3
84.04505	0.8
85.02908	1.4
85.06554	0.2
86.09705	0.3
87.84178	0.2
88.96912	0.6
90.94825	0.2
91.03950	1.0
91.04958	0.3
91.05476	3.4
93.03391	0.7
93.07032	0.9
95.04969	2.4
95.06097	0.5
95.08607	0.6
96.05643	0.4
97.02885	0.9
97.06476	0.4
97.07633	0.3
98.97580	0.6
99.04496	0.2
105.07017	1.3
107.04945	2.2
107.08585	1.8
108.02101	2.2
109.02866	0.6
109.06510	0.7
109.07639	0.4
109.10215	0.3
110.03655	2.7
111.04449	3.0
111.98487	2.0
112.01591	0.2
113.08261	2.8
113.96436	0.3
116.98628	0.7
117.03352	0.3
119.01907	0.6
119.04958	2.4
119.08560	0.6
121.06500	0.2
121.10146	0.3
123.04425	0.5
123.08057	0.3
125.05992	14.2
127.03934	0.5
129.99504	1.5
131.08545	0.4
131.97443	0.3
132.95801	2.3
133.02881	0.3
133.10127	2.4
134.99719	0.4
135.04404	0.7
135.11707	1.4
136.01503	0.5
137.05988	2.6
137.08195	1.0
137.09644	0.3
138.06694	0.7
141.05466	5.1
143.01820	0.3
143.08546	0.2
146.99667	0.4
148.02861	0.5
149.05974	3.0
150.96902	8.3
151.03909	100.0
151.05002	8.0
151.07445	3.9
152.04285	1.0
153.01096	0.2
154.06213	0.3
154.07733	0.3
155.09335	1.4
155.97403	2.3
156.07648	0.2
161.01323	0.3
161.02960	0.9
161.09622	0.8
165.05467	0.2
168.97980	0.6
169.08626	0.3
172.95239	0.2
173.98488	5.0
174.00769	0.3
177.00679	0.2
179.07036	17.6
179.09264	0.6
179.10489	1.8
180.07478	0.3
182.07332	0.3
186.03615	0.2
192.01837	0.3
195.04173	0.7
197.08098	4.6
197.10014	0.5
197.11758	1.5
197.17313	0.3
198.18578	0.9
199.02826	0.4
209.01186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00316	2.0
53.03947	4.3
55.01873	15.1
55.05510	39.7
56.96570	6.6
57.03432	4.4
57.07079	11.1
59.04991	3.6
65.03938	3.6
67.05224	0.7
67.05502	36.6
69.03425	18.1
69.07066	67.0
71.01344	1.4
71.04987	11.8
71.08629	1.7
71.59699	2.0
79.05493	42.5
80.05048	1.6
80.05854	1.5
81.03419	13.1
81.07055	89.7
83.04978	14.7
83.08619	28.4
84.08099	1.4
85.02883	1.5
85.06536	14.2
85.10167	1.4
89.03929	9.1
89.06033	6.3
91.05479	25.9
91.06017	2.6
93.03407	1.7
93.07042	61.1
95.04958	14.1
95.08604	95.8
96.08908	1.9
97.06519	11.9
97.10164	16.0
99.08089	73.1
99.29344	1.6
103.05479	2.6
105.07034	14.6
106.04189	1.8
107.04951	27.7
107.08591	74.7
108.08092	1.6
109.02883	1.8
109.06554	7.3
109.07619	1.4
109.10152	19.5
110.07169	4.4
111.04447	4.6
111.08080	28.2
111.11714	7.8
113.05979	1.4
113.09655	6.3
117.03377	11.5
117.07043	6.0
119.05008	1.8
119.08588	5.3
121.02892	3.4
121.06519	8.8
121.10138	88.5
123.04414	2.5
123.08073	2.6
123.11689	7.7
125.05984	3.2
125.09626	44.7
130.96323	2.4
131.08551	9.6
133.02870	3.0
133.08595	2.0
133.10120	10.2
134.03699	2.7
135.04419	12.6
135.08055	9.9
135.11685	48.1
136.08588	1.5
137.05981	4.3
137.09679	3.5
137.13249	26.9
138.06654	6.5
139.03912	2.2
139.07558	2.2
139.11197	8.5
145.02838	26.4
148.97394	5.0
149.01274	1.9
149.05983	10.1
149.09602	8.3
149.13260	15.4
149.97229	4.3
151.03941	1.7
151.11180	1.9
153.05444	3.8
153.09163	2.2
159.11713	10.4
163.03891	11.7
163.07573	3.7
165.05560	1.7
165.06870	2.0
167.07059	4.8
167.08382	1.9
171.98933	3.3
172.98811	1.7
177.04097	1.0
177.05476	34.6
177.09142	8.1
177.12872	10.5
177.16380	100.0
178.05817	1.7
195.02850	7.3
195.06502	3.7
195.08699	13.9
195.10228	7.5
195.11758	2.9
195.13927	7.9
195.15781	4.4
195.17426	28.9
195.19093	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	4.6
55.05509	9.8
56.96556	2.1
57.03426	2.1
57.07061	2.1
59.04972	0.9
65.03928	1.4
67.05504	37.4
68.99783	4.7
69.03416	0.9
69.07064	9.6
70.98753	1.4
71.04993	9.5
73.02888	1.1
79.05490	36.1
80.60261	0.6
81.03410	1.3
81.07054	100.0
82.07378	0.9
83.04981	6.5
83.08620	3.5
85.06532	6.2
85.10199	1.3
87.04469	2.3
89.06011	1.1
91.05480	17.6
93.07040	78.8
94.07364	0.8
95.04958	5.8
95.08604	51.3
96.08920	0.9
97.06525	16.5
98.97571	4.0
99.08102	1.9
101.06036	1.0
103.05496	0.9
105.07027	9.8
107.04965	2.4
107.08590	28.6
109.02957	0.7
109.06530	2.8
109.10160	3.7
111.08075	5.7
113.06036	1.2
115.05460	0.7
116.98617	2.3
117.03398	0.7
117.07020	8.2
119.08591	3.8
121.06505	6.8
121.10132	7.6
123.08098	1.3
123.11702	0.9
125.09632	2.6
129.72452	0.6
131.00211	1.4
131.08565	13.5
131.09485	0.8
133.10126	15.6
133.11086	1.2
134.99666	1.2
135.04442	1.2
135.08055	10.0
135.11690	60.8
137.09486	0.9
138.06673	0.8
139.07504	1.8
144.09346	1.5
147.11688	1.4
149.01212	1.1
149.09637	5.3
149.13260	18.5
151.11220	1.0
153.09111	9.4
159.11697	17.3
165.07028	0.7
165.12851	0.7
171.47369	0.6
171.99117	0.8
177.00726	1.1
177.05452	1.2
177.09177	1.6
177.12752	25.8
180.09386	0.7
191.02399	0.8
195.06590	0.8
195.08696	1.7
195.10248	1.6
195.11934	1.6
195.13794	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.43191	0.8
53.03933	3.9
54.37619	0.8
55.01870	4.9
55.05505	10.3
56.96570	8.5
57.03431	2.6
57.07063	3.9
59.47464	0.8
65.03928	4.0
65.49787	0.8
67.05505	40.8
68.96335	1.1
68.99786	1.2
69.03439	4.4
69.07067	9.3
70.06580	1.0
70.94234	0.9
71.01337	1.5
71.04994	7.7
71.59606	1.7
72.04499	1.0
73.02909	1.1
78.21355	1.0
79.05494	39.8
80.04992	1.1
81.03418	2.8
81.07057	100.0
83.04989	6.8
83.06084	1.7
83.08598	4.5
84.08133	1.8
85.02895	2.0
85.06542	6.5
85.47475	0.9
87.04455	2.5
87.98129	0.9
89.03928	7.1
89.06033	6.8
89.26466	1.0
91.05475	23.0
93.07044	61.8
95.04974	13.2
95.06191	0.9
95.08607	49.1
97.02870	1.8
97.06532	11.0
97.07627	1.2
97.10197	1.1
98.97583	1.9
99.04442	1.2
99.08089	1.6
101.05995	1.6
103.05477	7.5
105.04546	1.1
105.07028	13.0
107.04957	39.0
107.08592	28.1
109.06529	6.7
109.07605	1.7
109.10152	3.4
110.07204	1.6
111.04436	3.3
111.08068	6.7
113.06011	1.8
115.05448	2.7
116.98649	1.1
117.03356	9.6
117.07006	6.7
119.01861	1.1
119.04958	1.2
119.08581	3.9
120.05684	1.5
121.06503	8.9
121.10131	10.5
123.04393	1.3
123.08095	2.1
123.11665	1.2
124.05204	1.8
125.05968	3.1
125.09639	1.1
130.96242	1.1
131.04915	1.6
131.08566	12.2
131.96208	1.2
133.02795	2.7
133.06528	1.8
133.07610	0.9
133.08597	1.5
133.10126	12.3
134.03665	1.4
134.99583	1.6
135.04382	8.5
135.08061	16.3
135.11691	45.9
136.05011	1.6
136.07553	1.3
136.08542	1.0
136.12003	1.2
137.05933	2.8
137.09618	5.0
138.06607	6.6
139.03894	1.3
139.07516	2.4
144.09323	1.2
145.02846	15.0
148.05070	1.5
148.97371	4.2
149.01170	1.5
149.05981	8.5
149.09615	6.8
149.13272	16.7
149.97198	3.9
150.06528	1.3
151.07507	2.1
151.11189	2.0
152.04782	1.1
153.05473	3.7
153.09081	2.1
153.97902	1.4
154.06227	1.3
157.10168	1.1
159.11691	19.0
163.03926	6.8
163.07570	12.0
165.05540	1.6
165.06963	2.1
167.07071	10.5
167.08476	1.9
167.10648	1.3
171.98962	2.2
172.95259	0.9
172.98894	1.2
177.00790	1.3
177.04034	1.7
177.05475	19.6
177.09117	6.6
177.12743	22.2
180.07826	2.4
181.04872	1.1
195.01036	0.8
195.02888	3.9
195.06775	5.9
195.08665	6.2
195.10239	14.7
195.11847	2.2
195.13811	15.9
195.15561	1.9
195.17548	1.3
196.07240	2.5
196.16985	1.5
210.96721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02380	0.9
53.03935	4.1
55.01872	3.4
55.05510	15.1
56.96557	3.4
57.03429	2.2
57.07074	2.0
57.61067	0.9
62.83586	0.9
65.03934	4.0
67.05503	83.1
68.05841	1.4
69.03436	2.2
69.07064	16.6
69.34108	4.1
69.34542	5.7
71.05005	5.9
73.02917	1.1
79.05493	40.6
79.23812	0.9
81.03416	4.0
81.07055	100.0
82.07405	1.9
83.04979	9.2
83.08623	9.5
85.02908	1.1
85.06538	4.9
87.04454	1.5
89.06020	3.4
91.05476	25.5
93.07042	67.2
94.07352	1.4
95.04974	8.5
95.08607	45.2
96.19269	1.1
97.06527	20.5
97.10176	3.0
99.04447	1.8
99.08101	2.5
105.07036	10.8
106.07369	0.9
107.04964	6.0
107.08594	27.3
109.06504	4.8
109.10165	3.8
111.08083	7.2
113.05997	1.5
114.05480	0.9
117.07019	12.8
119.08588	4.1
121.06490	6.6
121.10153	13.0
123.08070	2.3
123.11666	1.2
125.09640	2.0
131.08562	17.1
131.96112	1.5
133.10121	17.5
135.04446	1.5
135.08047	6.0
135.11685	47.0
136.12018	1.1
137.05872	0.9
138.06615	2.7
139.07504	1.9
139.11137	1.1
144.09354	1.4
147.11609	1.5
148.97359	1.8
149.01193	1.9
149.05966	1.4
149.09607	3.6
149.13258	28.8
149.97176	2.1
151.11177	5.8
153.09128	1.8
157.67641	1.0
159.10431	2.1
159.11687	27.4
163.03891	1.8
163.07555	1.2
165.07047	1.5
177.05470	1.7
177.09149	1.4
177.12749	20.9
177.16336	1.3
180.09262	1.3
188.52242	1.1
190.95374	1.1
195.02940	1.6
195.06528	1.4
195.08614	2.7
195.10172	2.5
195.11891	1.8
195.13800	23.4
195.15556	1.4
196.16972	1.3
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
50.06590	0.7
52.58119	0.7
53.03947	4.4
55.01873	6.6
55.05511	16.4
56.96568	4.0
57.02154	0.7
57.03446	4.1
57.07068	3.4
62.58208	0.7
65.03944	3.2
67.05506	50.2
67.09627	0.7
68.05058	0.9
69.03419	3.8
69.07066	12.8
70.06566	1.2
70.20644	2.4
71.01357	3.0
71.04998	5.7
73.02929	1.3
77.03945	0.9
79.05495	45.4
81.03424	13.6
81.07057	100.0
82.07389	1.7
83.04986	12.5
83.08618	7.5
85.02883	3.6
85.06561	5.9
87.04472	1.8
89.03925	2.4
89.06033	3.3
91.05481	39.4
92.05800	1.2
93.03425	1.4
93.07045	64.7
94.07394	1.0
95.04975	16.7
95.08608	42.7
97.02895	2.9
97.06532	14.4
97.10173	1.5
98.97632	0.9
99.08140	1.2
103.05467	3.0
105.04557	1.1
105.07037	14.5
106.04195	1.0
107.04956	26.6
107.08595	28.2
109.02894	2.8
109.06519	5.2
109.10157	4.2
110.07169	1.8
111.04478	4.8
111.08082	5.8
111.09205	0.8
113.05981	1.4
115.05430	1.4
117.03393	2.6
117.07030	12.5
119.01843	0.7
119.04957	0.9
119.08601	4.5
121.06510	9.5
121.10142	13.1
123.04460	1.2
123.08069	2.9
123.11736	2.4
125.06007	4.4
125.09600	1.8
128.02312	1.0
129.06987	1.5
131.08577	12.6
133.02821	1.3
133.06569	0.9
133.10135	23.0
134.03683	1.3
134.99655	1.0
135.04393	7.2
135.08051	7.7
135.11694	40.0
136.05110	1.3
136.12045	0.9
137.06010	4.6
137.06929	0.7
137.09636	1.8
138.06648	3.9
139.03885	1.2
139.07503	1.7
144.09389	1.1
145.02902	4.9
148.97426	1.5
149.05949	3.4
149.09671	4.2
149.13264	17.5
149.97141	1.8
151.03914	2.3
151.07585	1.6
151.11176	5.4
152.06219	0.9
153.05490	7.8
153.09081	1.4
153.12827	0.8
159.11697	18.2
160.12010	0.9
163.03888	8.6
163.07553	2.2
165.07011	1.9
167.07121	2.4
168.04224	1.5
177.05510	6.8
177.09125	3.6
177.12743	13.3
177.16348	1.8
180.09366	1.3
181.04892	1.1
195.02950	2.9
195.06540	3.6
195.08652	5.5
195.10258	4.4
195.11874	2.0
195.13794	18.4
195.15654	1.3
196.07344	2.2
196.17010	1.5
211.33533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	4.2
55.05256	0.8
55.05508	10.7
56.96562	2.9
57.03429	1.6
57.07056	2.2
59.05024	0.6
65.03931	1.0
67.05165	0.8
67.05504	11.5
68.99798	3.1
69.03418	4.0
69.07067	13.1
69.48032	5.1
71.04992	6.5
71.95261	0.5
73.02871	0.6
77.03899	0.7
79.05493	27.2
81.03408	1.4
81.07053	40.5
82.07359	0.6
83.04977	3.7
83.08622	2.9
85.02956	0.7
85.06539	14.6
85.10182	1.0
87.04492	0.6
89.03933	1.1
89.06028	2.7
91.05474	12.8
93.03403	0.7
93.07043	64.2
94.07363	1.2
95.04967	7.0
95.08036	1.0
95.08604	11.9
96.77026	0.6
97.06532	55.5
97.10160	3.4
98.06842	0.6
99.04453	0.9
99.08088	3.2
101.06041	0.9
103.05474	3.9
105.07035	16.8
107.04953	10.0
107.08591	38.0
109.06528	5.2
109.10151	4.0
110.07159	0.9
111.04443	1.4
111.08066	5.3
115.05446	1.3
117.03385	1.2
117.07014	3.2
119.06084	0.8
119.08581	11.4
121.06526	4.1
121.10141	100.0
122.10475	2.3
123.08060	5.8
123.11709	1.3
125.05998	1.4
125.09631	10.5
129.07050	0.8
131.04909	0.6
131.08565	4.7
133.06499	0.7
133.07468	0.5
133.10123	4.1
135.04410	3.0
135.08057	8.3
135.11693	8.4
137.05971	0.9
137.09608	5.4
137.13312	0.7
138.06679	3.2
138.07631	0.6
139.03911	4.7
139.07545	1.3
139.11195	1.1
144.09370	2.0
145.02858	1.4
147.11676	3.3
148.84364	0.5
148.97403	1.3
149.01222	0.9
149.05978	1.2
149.09612	3.6
149.13252	26.5
149.97169	2.6
151.11179	1.7
152.06200	0.8
153.05482	0.6
153.09085	7.9
153.12675	0.7
153.97890	0.7
154.06238	12.7
159.11697	13.5
163.03912	1.9
163.07527	4.3
165.06985	3.1
165.12770	3.0
167.07063	1.6
167.08582	1.4
167.14349	1.3
171.98946	1.0
172.98825	1.0
177.05531	1.6
177.09152	1.7
177.12749	26.2
177.16362	1.4
178.13065	0.6
180.09355	2.1
195.02931	0.7
195.06528	1.4
195.08653	3.3
195.10175	3.3
195.11751	4.4
195.13821	22.2
195.15643	1.3
195.17529	1.4
196.14018	0.6
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	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03942	2.5
54.11189	0.8
54.84929	0.8
55.01616	1.5
55.01873	19.9
55.05510	11.8
56.96561	1.5
57.03434	1.8
57.07073	1.7
61.10185	0.8
63.01279	0.8
65.03927	1.5
67.05508	14.3
68.99783	3.1
69.03428	5.0
69.07067	12.1
70.20867	3.8
71.04995	11.2
73.66040	0.8
74.55332	0.8
77.03947	1.0
78.55827	0.7
79.05494	28.6
79.05962	1.4
81.03416	3.0
81.07058	39.4
82.39258	0.8
83.04983	6.1
83.08618	2.9
85.06544	14.7
87.04479	2.1
89.06019	1.5
91.05481	17.9
92.65881	0.8
93.07042	55.4
95.04967	6.4
95.08605	12.0
97.06531	100.0
97.10157	3.1
97.64343	1.0
98.06907	1.0
98.97578	1.4
99.04494	1.1
99.08101	2.3
102.30498	0.9
103.05489	1.4
105.07035	14.2
107.04955	8.8
107.08593	36.5
109.06517	4.2
109.10149	6.3
111.08073	5.1
113.05918	0.9
117.06998	5.0
119.08572	10.4
121.06506	3.7
121.10143	81.2
122.10446	1.5
123.08086	6.0
123.11738	1.4
125.09632	7.8
129.06990	1.2
131.08543	6.9
133.10139	5.1
135.04442	1.4
135.08063	5.7
135.11679	15.3
137.09595	6.4
138.06641	3.4
144.09369	1.0
145.02896	1.9
147.11687	3.4
148.97365	1.3
149.05962	1.8
149.09628	3.0
149.13248	21.0
149.97247	1.5
151.11218	2.1
153.05522	1.0
153.09106	6.9
159.11699	13.3
163.03906	3.0
163.07622	0.9
165.07002	1.6
165.12747	2.7
167.07103	1.5
167.08565	1.3
167.14333	1.0
177.05438	2.2
177.09174	2.0
177.12749	25.5
177.16289	1.1
180.09261	0.9
195.08621	3.3
195.10208	3.0
195.11887	1.7
195.13794	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	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
51.02366	0.9
53.03946	2.8
55.01870	8.0
55.05510	11.3
56.96549	3.7
57.03419	2.0
57.07053	2.5
59.05005	1.0
65.03934	2.2
67.05503	28.7
69.03421	3.2
69.07067	10.1
70.70657	3.0
71.04993	10.8
72.48580	0.8
77.03922	1.1
79.05491	40.6
79.05953	2.1
80.54220	0.8
81.03423	1.5
81.07057	60.2
83.04988	5.4
83.06104	1.2
83.08612	4.7
85.06542	7.5
87.04459	10.5
89.03917	2.2
89.06007	3.3
91.05479	27.4
93.02657	0.9
93.03381	1.7
93.07043	100.0
95.04966	9.6
95.08604	46.0
96.08932	1.2
97.06528	29.7
99.08058	1.5
103.05455	4.0
105.06364	1.7
105.07026	16.2
105.07684	1.8
107.04950	22.2
107.08593	42.2
109.06513	6.7
109.10134	4.0
109.98875	1.0
110.07137	1.5
111.04478	1.5
111.08081	8.9
113.06049	2.3
115.05434	2.7
117.03379	2.3
117.07014	15.4
119.08588	8.5
121.02865	1.0
121.06516	8.6
121.10143	17.9
123.04441	0.9
123.08041	3.0
125.09650	1.7
131.04898	1.3
131.08568	23.7
133.06534	1.2
133.10126	18.5
135.04417	2.7
135.08066	20.5
135.11693	88.3
136.08751	1.3
136.12003	2.3
137.09662	2.0
138.06635	4.8
139.07507	2.1
145.02864	5.0
147.04414	1.2
147.11707	1.5
148.97363	1.8
149.01225	1.1
149.05968	3.4
149.09627	8.8
149.13261	18.1
149.97217	1.9
151.11162	3.0
153.05457	1.1
153.09084	3.4
154.06204	1.5
159.11688	31.1
163.03868	3.7
163.07538	5.8
165.12749	1.3
167.07043	4.0
167.10542	0.9
171.99008	1.6
172.98811	1.0
177.05487	5.3
177.09145	3.2
177.12753	59.7
178.08615	1.2
180.07858	1.3
180.09322	1.1
195.02945	2.2
195.06525	2.6
195.08664	4.6
195.10176	7.0
195.11900	1.6
195.13824	23.1
195.15602	1.7
195.17567	1.0
196.16907	1.3
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
53.03939	3.9
55.01869	4.4
55.05507	9.3
56.96555	3.7
57.03434	1.7
57.07071	2.1
65.03936	1.3
67.05503	40.4
68.99767	1.2
69.03418	1.7
69.07069	11.6
71.01347	0.9
71.05010	7.8
73.02915	1.1
75.36561	0.8
79.05494	36.7
80.04964	1.1
81.03412	2.2
81.07056	100.0
82.07382	1.1
83.04984	4.8
83.08619	3.4
85.02872	1.2
85.06541	5.2
87.04453	2.4
89.03918	1.4
89.06026	2.9
91.05476	16.2
91.67995	1.1
93.07042	64.9
95.04974	7.8
95.08604	45.1
95.09064	0.9
95.09227	1.7
96.66827	1.0
97.02908	1.0
97.06523	16.8
97.10118	1.4
98.06065	1.0
99.04460	1.1
99.08059	1.1
103.05457	1.7
105.07022	9.6
107.04959	14.9
107.08594	27.5
109.06493	5.1
109.10155	3.8
111.04462	1.5
111.08069	5.9
115.05482	1.3
116.98662	1.1
117.03303	1.1
117.07021	8.7
118.98272	0.8
119.08566	3.7
121.06538	6.5
121.10138	18.8
123.08057	2.5
125.05989	1.7
125.09610	2.1
130.96234	1.0
131.08560	10.8
133.10124	12.4
134.99622	0.9
135.04416	4.2
135.08058	8.2
135.11690	48.7
136.04935	0.9
137.05984	1.5
137.09633	1.6
138.06638	4.5
139.03888	1.2
139.07507	3.4
144.09264	1.1
145.02855	5.0
145.03819	1.1
148.97380	2.1
149.01225	2.0
149.05959	2.7
149.09615	6.6
149.13246	19.7
149.97200	2.1
151.07545	1.1
151.11119	1.7
152.06224	1.4
153.05475	1.0
153.09062	2.5
153.85422	1.0
157.10213	1.0
159.11693	18.8
163.03896	4.9
163.07529	3.7
165.07033	2.0
167.07086	2.2
167.08604	1.3
176.39171	1.1
177.05437	4.7
177.09132	4.4
177.11189	1.5
177.12743	24.5
177.14240	1.7
177.16309	1.4
180.09363	1.9
195.02908	2.0
195.06517	3.2
195.08627	7.3
195.10274	5.0
195.11827	2.0
195.13809	15.1
195.15485	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05507	0.8
56.96568	4.7
57.03428	0.7
57.07069	1.3
61.02913	0.8
61.16086	0.7
67.05506	1.6
68.05029	0.7
69.03426	1.1
69.07071	1.2
70.76958	2.3
71.04986	0.9
79.05492	1.3
81.03445	0.8
81.07052	2.3
83.06092	1.0
84.08154	1.5
87.04482	0.9
89.06032	100.0
91.05477	1.9
93.07053	2.6
95.04974	1.5
95.06059	0.9
95.08606	1.8
97.02898	0.8
97.06522	0.8
98.97575	3.3
105.07046	1.0
107.04984	2.4
107.07074	7.6
107.08593	2.2
109.06489	1.1
110.06030	0.8
111.08047	1.0
111.09209	0.7
116.98619	2.3
117.03374	1.1
121.06488	1.7
121.10173	1.1
122.07198	0.8
123.11744	0.9
130.45039	0.7
131.00099	0.8
133.08609	17.5
134.99670	1.0
135.04436	0.8
135.08067	2.2
135.11696	1.4
138.06602	2.2
145.02829	1.0
148.97337	1.0
149.01282	0.9
149.06001	3.0
149.09633	1.5
149.97261	1.1
151.09660	1.9
151.11295	0.7
152.76273	0.7
153.05434	1.2
161.04681	1.0
163.03955	1.6
163.07571	0.8
171.98914	1.0
177.05487	2.4
177.09126	3.5
177.11292	0.9
190.00227	0.9
195.02936	1.1
195.06514	0.9
195.08752	3.8
195.10228	1.7
195.12395	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02381	0.6
52.58353	0.5
53.00311	0.8
53.03942	1.4
55.01865	1.9
55.05508	1.4
57.03468	0.7
65.03935	1.7
67.05504	1.9
69.03432	0.8
69.04555	0.7
69.07055	1.2
69.44048	3.3
69.44462	1.7
71.04977	0.6
78.04724	1.1
79.05495	14.9
81.03442	0.6
81.07043	4.1
83.04958	0.9
91.05482	9.0
93.07056	4.4
95.04964	5.6
95.08596	1.6
97.06548	1.0
103.05472	11.5
105.04503	1.0
105.07024	10.4
105.07680	1.0
107.04952	100.0
107.08599	5.1
108.05289	1.2
109.06516	1.7
111.04467	1.2
115.05468	5.2
117.07023	2.2
119.04962	0.9
120.05743	3.5
121.06533	2.2
121.10148	2.0
123.04445	1.4
124.05210	2.7
125.05985	2.0
131.04942	2.4
133.02850	0.8
133.06487	1.0
135.04439	0.8
135.08047	28.5
135.11716	2.0
137.06013	1.6
139.03906	1.6
145.06496	0.9
145.07562	1.4
147.04437	3.5
148.05176	0.7
149.05994	1.1
149.09650	1.1
149.13269	2.3
151.03963	0.8
152.04710	1.6
154.06273	5.5
159.11528	0.6
163.03929	1.1
163.07541	41.8
165.05489	1.9
167.07042	33.0
167.14906	0.6
177.09073	0.9
177.12799	1.3
180.07819	7.6
195.06548	2.0
195.10175	29.2
195.13841	1.8
213.84857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02383	0.8
53.03946	0.9
55.01864	1.8
56.96555	1.4
57.03439	0.8
64.66113	0.6
65.03931	1.1
66.08027	0.6
67.05502	0.8
69.69765	3.8
78.04706	0.7
78.61893	0.7
79.05495	15.8
81.07049	1.9
82.53890	0.6
89.03948	0.9
91.05479	8.1
93.03358	0.9
93.07052	1.0
95.04961	5.9
98.97639	0.6
103.05472	13.1
105.07028	11.7
107.04956	100.0
107.08601	2.7
108.05304	1.9
108.32377	0.6
109.06549	1.3
111.04434	1.2
111.08075	1.0
115.05453	8.1
117.03356	0.8
117.07008	1.8
119.04926	1.9
120.05726	4.7
121.06498	1.2
122.03607	0.7
123.04430	2.0
124.05245	2.3
125.05993	2.9
131.04919	2.2
133.02866	1.4
133.06497	1.4
134.07230	0.8
135.04399	1.5
135.08052	25.6
135.09116	1.3
137.05971	2.3
139.03897	1.6
145.02847	1.8
145.06538	0.8
145.07619	2.4
147.04443	3.9
148.05180	0.8
149.05994	1.1
149.09607	1.1
151.03926	1.2
152.04639	1.1
153.05453	1.6
154.06219	5.4
163.03905	1.3
163.07545	37.9
165.05432	1.0
167.07042	31.8
177.05475	2.5
180.07817	8.5
195.06531	1.7
195.10179	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.00318	0.5
53.03955	1.3
55.01871	1.5
55.05514	1.9
56.04453	0.6
56.96569	2.5
57.03461	0.7
57.07078	0.9
63.02386	0.7
65.03944	2.3
67.05500	3.8
69.03429	1.9
69.07063	1.7
70.06605	0.9
70.84367	0.7
70.84704	1.3
71.05003	1.5
77.03935	0.6
78.04726	1.5
79.05495	11.9
81.03423	1.5
81.07056	5.8
83.04982	1.3
83.08638	1.2
85.02936	1.1
85.06548	0.8
89.03916	26.2
89.06034	3.0
91.05483	10.5
93.03422	1.4
93.07043	8.0
95.04967	8.1
95.06064	0.7
95.08601	2.5
97.02908	1.9
97.06528	1.8
98.06109	0.6
98.97601	0.7
103.05473	9.1
105.03404	0.6
105.04531	0.7
105.07030	8.6
106.04174	1.7
106.07467	0.5
107.04955	58.6
107.08595	6.9
109.02925	0.7
109.06525	2.6
109.07671	1.0
109.10152	0.9
110.07199	1.2
111.04451	5.1
111.05588	0.9
111.08084	1.4
114.55301	0.6
115.05430	3.1
116.98643	1.2
117.03381	47.9
117.07019	2.2
119.04928	1.7
119.08595	1.2
120.05725	2.0
121.02900	0.7
121.06484	4.4
121.10152	2.8
122.07163	0.5
123.04432	1.1
123.08058	1.0
124.05213	2.5
125.02354	0.6
125.06010	4.8
125.06785	0.8
125.09570	0.6
131.04944	2.1
131.08565	1.7
133.01842	0.6
133.02849	1.5
133.06531	1.0
133.10156	0.9
134.03641	8.4
134.99687	1.4
135.04425	13.6
135.08051	18.9
135.09087	1.0
135.11691	4.4
136.05101	1.0
136.08742	0.8
137.05965	2.1
137.09604	1.2
138.06633	2.7
139.03865	2.0
139.07539	0.7
139.11110	0.6
145.02846	86.6
146.03172	1.4
147.04448	2.8
148.05151	0.6
148.97333	2.1
149.01250	0.8
149.02368	0.9
149.05986	23.5
149.09607	7.8
149.13257	1.6
150.06549	0.6
150.10355	0.6
151.03882	0.9
151.07562	0.7
151.11226	0.9
152.04674	1.3
153.05447	7.6
153.09122	0.8
154.06216	3.2
159.11713	1.1
162.03113	2.3
163.03906	12.8
163.07545	20.4
165.05630	0.9
165.07018	1.4
167.07043	16.1
171.98938	0.8
172.30284	0.5
177.05469	100.0
177.12766	2.4
180.07840	4.8
186.05495	2.0
187.05746	0.6
195.03012	2.9
195.04707	0.5
195.06636	3.1
195.08636	3.6
195.10173	16.9
195.12125	1.2
195.13846	2.0
195.15710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46981	8.7
56.96548	13.9
57.03429	25.6
70.80944	17.8
70.81290	9.6
73.02927	23.3
84.08141	17.7
94.93034	100.0
96.08619	9.6
99.31230	8.7
103.05428	9.9
119.01887	13.5
131.01898	15.2
145.03516	11.7
157.03445	10.4
161.02956	12.1
171.01357	11.2
173.02954	18.7
185.02971	21.9
189.00143	12.7
194.94579	16.4
203.04010	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	1.0
55.01851	1.1
55.05490	1.8
56.96560	2.3
57.03434	0.6
57.07072	1.0
63.02354	0.6
65.03937	2.3
67.05507	2.6
68.99783	0.7
69.03422	1.1
69.04556	0.5
69.07059	2.1
70.06584	0.8
71.01340	0.5
71.04986	1.3
71.21307	0.4
71.32773	1.2
78.04709	1.7
79.05487	7.1
81.03410	1.4
81.04575	0.6
81.07056	4.2
82.06518	0.5
83.04959	1.4
84.04488	0.5
84.08125	0.7
85.02910	0.7
89.03909	26.0
89.06028	2.2
91.05480	6.9
93.03397	1.1
93.07035	5.9
95.04971	3.8
95.06098	0.8
95.08598	2.2
97.02860	0.9
97.06514	2.0
97.07656	0.6
98.97580	1.4
103.05437	2.9
105.03406	1.0
105.07011	3.1
106.04140	1.6
107.04210	0.9
107.04944	15.2
107.06060	0.6
107.08591	4.9
109.06496	2.1
109.10156	0.5
109.98936	0.7
110.07132	0.9
111.04456	4.1
111.05570	1.0
111.08061	1.3
115.05473	0.9
116.98608	1.1
117.03371	45.8
117.07020	0.8
119.01916	0.6
119.04929	1.5
119.08608	1.0
121.02842	0.7
121.06480	3.5
121.10063	3.0
122.07140	0.7
123.04421	0.7
123.08068	0.8
124.05185	1.5
125.02357	0.5
125.05983	4.0
125.06797	0.6
131.08562	1.7
133.02841	0.7
133.06503	0.6
133.08569	0.7
133.10155	0.9
134.03644	7.5
134.99654	1.0
135.04410	13.6
135.08040	6.0
135.09058	0.8
135.11687	3.4
136.05008	0.8
136.08699	0.5
137.05974	1.1
137.09624	2.0
138.06610	3.8
139.07568	0.7
144.09276	0.5
145.02832	89.7
146.99655	0.5
147.04378	1.7
147.05418	0.6
148.97353	1.9
149.02354	0.7
149.05968	24.6
149.09590	3.9
149.13268	0.9
149.46527	0.5
149.97186	0.5
150.06563	0.7
151.03854	0.7
151.07526	1.0
151.11115	1.0
153.01857	0.6
153.05476	5.7
153.07695	0.8
153.09076	0.8
153.97826	0.6
154.06168	0.6
158.06039	0.7
159.11629	0.9
162.03091	2.0
163.03899	12.2
163.07573	3.8
164.16754	0.5
167.03418	0.8
167.06972	3.1
171.98936	1.1
177.05453	100.0
177.12755	2.1
178.05832	0.8
180.07758	0.9
186.05473	2.0
186.61354	0.6
195.02861	3.7
195.06416	2.8
195.08641	4.5
195.10173	4.8
195.13803	1.6
195.15672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	3.4
55.05264	2.0
55.05509	32.2
57.07080	7.2
57.20971	1.4
59.04984	3.2
67.05170	2.5
67.05502	34.1
69.03430	17.3
69.07063	22.5
70.48809	1.4
70.49174	5.6
71.04971	3.8
71.08628	1.8
79.05499	15.2
81.03419	17.6
81.07053	48.1
83.04980	39.9
83.08627	14.5
85.06526	7.2
91.05467	15.2
92.36383	1.5
93.07041	26.9
95.04965	10.2
95.08603	68.7
97.06512	5.4
97.10148	4.5
98.20757	1.7
99.08092	1.7
100.02577	1.3
101.91883	1.6
103.05442	3.4
105.07031	35.5
107.04931	3.1
107.08591	51.5
109.06509	24.3
109.10151	92.5
110.10418	2.0
111.08095	11.4
115.05447	3.1
117.07005	1.9
118.04169	2.0
119.08577	60.6
121.10143	38.6
122.07265	1.5
123.08064	58.9
123.11668	12.4
125.09616	4.1
131.08543	2.9
133.02885	2.8
133.06473	10.9
133.10127	44.6
135.11687	75.4
137.06027	2.2
137.09612	35.2
138.10374	5.8
139.11041	1.4
145.10083	1.9
147.11729	8.4
149.13252	17.9
151.11180	15.3
151.14819	11.7
161.05991	8.3
165.16370	4.1
175.11174	2.9
175.14827	37.7
176.15172	2.0
178.02606	6.6
193.04930	9.1
193.08603	3.7
193.12201	4.2
193.15868	100.0
194.16142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	1.9
55.01875	1.2
55.05514	8.6
56.96555	2.2
57.03431	1.4
57.07059	4.4
59.04982	1.8
65.03935	1.8
67.05501	15.2
67.80272	1.1
69.06712	1.8
69.07067	25.4
70.31676	1.2
70.72966	3.6
71.04994	17.2
79.05487	8.6
81.07052	24.3
83.04977	1.7
83.08616	3.5
84.66010	1.2
85.06546	10.2
91.05482	10.7
93.07041	24.4
95.04967	32.4
95.08607	21.1
97.06508	2.6
97.10169	7.8
99.08099	3.7
103.05444	1.8
105.07034	18.2
107.08595	30.7
109.06514	100.0
109.10149	16.4
110.06879	2.1
111.08083	5.2
111.11683	2.3
117.06947	1.2
119.08585	24.8
120.08115	1.7
121.10135	9.4
123.04462	1.7
123.08071	9.0
123.11701	20.0
128.98584	2.0
131.08513	1.5
133.02850	6.3
133.06480	5.2
133.10139	24.1
135.11687	33.6
137.05972	5.1
137.09589	13.9
146.97452	2.4
146.99664	4.2
147.11644	5.9
148.07552	4.9
149.02301	2.7
149.05956	1.2
149.13277	6.6
150.03099	3.9
151.11172	7.6
151.14810	1.2
161.05998	3.2
165.05496	1.5
166.08650	1.5
175.11360	1.3
175.13284	1.7
175.14828	34.8
176.15128	1.5
178.02588	12.9
193.04956	27.0
193.08591	1.6
193.10393	1.2
193.12251	7.8
193.15875	53.1
193.17607	2.3
194.05228	1.7
194.15445	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28913	1.9
53.03933	3.3
55.01871	2.6
55.05508	27.3
57.07059	8.2
59.04993	2.9
67.05502	34.1
69.03425	16.2
69.07063	26.1
71.04980	6.6
71.11572	4.0
79.05485	11.1
81.03420	9.9
81.07055	45.4
82.71822	2.1
83.04983	25.0
83.08627	18.0
85.06496	4.9
87.01238	2.3
91.05485	14.9
93.07040	27.2
93.43848	1.8
95.04955	8.1
95.08603	63.3
95.98995	2.2
97.06515	2.9
97.10179	3.0
99.08045	3.0
105.07028	29.8
105.65755	2.0
107.08585	59.1
109.06516	20.5
109.10149	81.7
111.08082	11.2
112.70387	1.8
117.06989	2.2
119.08576	70.8
121.10145	38.6
122.10441	2.5
123.08064	41.7
123.11713	11.4
131.08562	3.5
133.02841	3.5
133.06483	4.0
133.10117	59.7
135.11687	100.0
136.11981	2.2
137.08632	3.6
137.09605	36.9
138.10356	4.1
145.10176	2.7
147.11681	12.7
149.13264	23.4
151.11205	12.4
151.14803	7.7
175.14819	61.6
178.02550	3.4
193.04936	6.2
193.08553	3.1
193.12231	4.1
193.15875	86.0
210.10454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	3.4
55.05264	2.0
55.05509	32.2
57.07080	7.2
57.20971	1.4
59.04984	3.2
67.05170	2.5
67.05502	34.1
69.03430	17.3
69.07063	22.5
70.48809	1.4
70.49174	5.6
71.04971	3.8
71.08628	1.8
79.05499	15.2
81.03419	17.6
81.07053	48.1
83.04980	39.9
83.08627	14.5
85.06526	7.2
91.05467	15.2
92.36383	1.5
93.07041	26.9
95.04965	10.2
95.08603	68.7
97.06512	5.4
97.10148	4.5
98.20757	1.7
99.08092	1.7
100.02577	1.3
101.91883	1.6
103.05442	3.4
105.07031	35.5
107.04931	3.1
107.08591	51.5
109.06509	24.3
109.10151	92.5
110.10418	2.0
111.08095	11.4
115.05447	3.1
117.07005	1.9
118.04169	2.0
119.08577	60.6
121.10143	38.6
122.07265	1.5
123.08064	58.9
123.11668	12.4
125.09616	4.1
131.08543	2.9
133.02885	2.8
133.06473	10.9
133.10127	44.6
135.11687	75.4
137.06027	2.2
137.09612	35.2
138.10374	5.8
139.11041	1.4
145.10083	1.9
147.11729	8.4
149.13252	17.9
151.11180	15.3
151.14819	11.7
161.05991	8.3
165.16370	4.1
175.11174	2.9
175.14827	37.7
176.15172	2.0
178.02606	6.6
193.04930	9.1
193.08603	3.7
193.12201	4.2
193.15868	100.0
194.16142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03903	1.4
55.01876	1.3
55.05510	21.7
57.07077	7.5
59.05002	2.7
65.03912	1.5
67.05167	2.0
67.05503	29.7
69.03423	11.6
69.07069	17.3
71.04974	4.3
71.08631	1.5
71.39833	1.4
71.40154	2.2
79.05494	8.3
81.03442	1.2
81.07056	30.1
83.04984	20.4
83.08615	12.5
85.06525	4.6
87.08080	1.4
91.05468	11.9
93.07040	25.5
95.04956	4.5
95.08604	60.8
97.06513	3.5
97.10168	2.0
99.08077	2.3
102.91513	1.3
105.06375	2.1
105.07032	25.0
107.07861	2.0
107.08596	53.9
109.06503	15.2
109.10155	82.4
111.08078	11.3
117.07006	2.6
119.08579	69.3
121.09303	2.3
121.10147	35.1
123.07176	2.2
123.08073	38.2
123.11693	12.6
124.08495	1.2
125.09621	2.8
133.06483	1.7
133.10123	46.6
135.11688	100.0
137.08649	2.5
137.09613	30.3
138.10374	3.1
145.10107	3.3
147.11670	6.2
149.13237	21.3
151.11185	8.5
151.14792	9.2
160.12527	1.3
165.12682	2.1
165.16426	3.1
170.99426	1.2
175.14827	46.0
176.15147	2.3
178.02602	3.0
193.04976	5.6
193.08606	1.8
193.15877	65.9
194.16238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	2.1
55.05268	2.0
55.05511	33.1
56.96566	8.0
57.03428	4.1
57.07059	7.7
59.04998	2.5
65.03944	2.0
66.03345	1.7
67.05171	3.1
67.05506	39.4
69.03430	21.7
69.07069	23.5
69.75204	4.2
69.75616	6.3
71.04982	8.3
76.94129	1.7
77.03909	1.9
79.05502	21.8
81.03432	9.8
81.07062	47.0
83.04983	38.5
83.08611	15.5
85.06532	4.1
91.05486	19.5
93.07044	29.2
95.04968	15.4
95.08607	67.3
97.06507	6.4
97.10172	4.8
98.20752	2.1
98.97565	1.9
99.08088	6.2
102.56264	1.9
103.05453	6.2
104.07295	1.7
105.03393	1.7
105.07036	62.5
107.08592	54.7
109.06518	31.9
109.10157	97.9
110.10495	1.7
111.08092	11.7
115.05467	9.5
119.08581	69.1
121.10148	40.5
122.07353	1.9
123.07176	3.7
123.08068	68.5
123.11720	16.0
125.09612	3.2
128.98572	2.0
129.07063	1.8
131.08595	2.4
133.02846	7.6
133.06508	33.7
133.10135	57.9
134.10478	2.1
135.11697	83.1
136.12047	1.8
137.05946	7.6
137.09630	36.7
138.10361	10.9
143.04869	2.2
146.97429	3.3
146.99664	3.0
147.04388	3.2
147.08044	2.0
147.11708	9.7
148.07562	2.8
149.02344	2.2
149.13257	21.5
149.98549	1.8
150.03065	4.1
151.11194	23.1
151.14815	10.6
157.10059	1.7
161.05992	32.4
165.05493	2.0
165.16370	4.8
175.07561	2.5
175.11400	1.6
175.13277	2.9
175.14822	58.0
178.02615	22.7
193.04984	37.6
193.08598	15.7
193.10110	2.2
193.12218	6.6
193.15880	100.0
194.05428	2.4
194.16064	2.4
200.56950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	4.3
55.01856	4.3
55.05510	18.4
56.96552	3.8
57.03426	3.0
57.07076	7.1
59.04980	1.8
65.03922	5.9
66.08179	1.3
67.05165	2.1
67.05499	26.2
69.03436	7.2
69.07063	19.2
70.37676	4.4
70.38015	1.5
71.05000	13.6
77.03889	1.2
79.05064	2.0
79.05493	27.5
81.03408	22.9
81.07057	36.6
83.04981	17.2
83.08607	8.8
85.06522	5.6
88.82009	1.2
91.05475	44.9
92.05784	1.7
93.07035	34.9
95.04971	16.5
95.08598	42.0
97.06536	10.2
97.10146	1.8
99.04446	1.8
99.08081	3.8
103.05470	8.4
105.03378	3.1
105.07027	74.3
106.07339	1.8
107.04964	3.6
107.08592	44.5
109.06506	15.3
109.10150	42.3
111.08079	6.4
113.06060	1.7
115.05468	8.3
117.07038	6.6
118.04161	3.8
119.08574	100.0
120.08880	3.3
121.02847	2.3
121.06470	3.2
121.09307	2.1
121.10134	23.7
122.03613	4.7
123.04453	1.4
123.08060	22.1
123.11693	11.1
125.09612	2.6
129.07027	2.5
131.04855	1.3
131.08554	4.5
133.02847	27.1
133.06496	28.6
133.10120	61.0
134.06921	2.2
134.10397	1.5
135.08086	7.7
135.11688	72.9
136.12057	1.5
137.06001	9.4
137.09599	20.7
142.07756	3.4
143.05959	1.7
145.06491	1.7
145.10048	2.9
146.97443	3.0
146.99632	2.4
147.04390	3.6
147.08052	2.9
147.11690	40.8
148.12012	1.8
149.02368	7.3
149.03426	1.8
149.05981	1.7
149.09590	2.7
149.13245	10.6
150.03114	9.5
151.07552	1.9
151.10100	1.6
151.11191	7.4
151.14806	5.5
157.10098	4.8
161.05986	21.7
165.05431	3.8
165.12717	7.6
165.16357	1.9
175.07584	3.0
175.11180	20.5
175.14810	45.6
178.01408	1.5
178.02609	43.8
193.04959	91.2
193.08533	14.2
193.12248	25.0
193.15874	72.1
194.05286	3.7
194.08093	1.8
194.16287	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.27968	0.5
55.01872	1.9
55.05510	21.9
56.96563	2.5
57.03438	1.4
57.07075	8.6
59.05001	3.3
64.74386	0.5
65.03942	1.7
67.05505	31.6
69.03433	13.1
69.07069	22.1
69.07451	1.1
70.07426	0.7
71.04991	5.2
71.08633	1.5
71.59742	0.8
71.60108	0.8
77.03905	0.8
79.05495	12.9
81.03407	2.7
81.07056	39.2
83.04985	22.8
83.08617	13.9
85.06546	6.0
87.08123	1.2
91.05479	18.8
93.07044	30.0
94.04195	0.6
95.04977	4.9
95.08605	64.8
96.08968	1.1
97.02912	0.7
97.06531	4.8
97.10150	3.1
98.97577	2.9
99.04482	0.6
99.08086	4.8
103.05478	2.3
104.06234	0.8
105.03381	0.7
105.07030	38.5
106.07341	0.7
107.04953	1.8
107.08596	57.9
108.08941	1.1
109.06521	19.5
109.10155	84.9
110.10492	1.1
111.08083	11.3
115.05452	2.7
116.98613	2.7
117.07013	3.6
118.04166	1.3
119.08582	73.2
120.08122	1.1
120.08878	1.2
121.02803	0.8
121.06534	0.9
121.10141	38.2
122.10480	0.6
123.08071	40.2
123.11698	11.0
125.09608	3.1
129.06996	0.8
131.08554	2.4
133.02888	4.9
133.06505	10.2
133.10133	58.1
134.07028	0.8
134.10492	1.6
134.99680	2.3
135.08115	1.2
135.11694	100.0
136.11996	2.2
137.05974	4.6
137.09613	34.5
137.13263	1.1
138.10451	3.9
139.11160	0.6
143.06004	0.5
145.10109	2.2
146.97435	1.3
146.99635	2.0
147.04410	1.1
147.08044	1.1
147.11684	7.1
148.07549	2.0
149.02347	1.5
149.05954	0.8
149.09619	1.0
149.13260	21.5
150.03098	2.0
150.10294	0.8
150.13637	0.7
151.07596	0.7
151.09938	0.8
151.11180	11.1
151.14799	9.8
157.10158	1.0
158.99635	1.7
159.11699	0.7
160.12523	1.3
161.05971	7.2
165.05426	1.8
165.06773	0.6
165.09117	0.7
165.12746	2.0
165.16420	3.8
170.07039	0.6
173.13341	0.7
175.03816	0.6
175.11215	1.5
175.14827	49.3
176.15175	1.7
177.00674	3.3
178.01083	1.0
178.02615	9.4
179.02969	0.7
189.00699	0.6
189.04251	0.6
193.04950	18.3
193.06718	1.4
193.08575	7.6
193.12323	4.1
193.15883	74.5
194.05420	1.0
194.16072	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01595	0.3
51.02384	0.3
53.03941	3.9
55.01871	3.3
55.05508	9.0
55.05778	0.4
55.06073	0.3
56.96570	1.5
57.03432	3.1
57.07070	1.0
65.03932	2.5
67.05501	26.8
69.03428	3.3
69.07066	3.2
69.35751	3.0
71.01333	0.6
71.04982	2.1
74.09721	0.4
77.03924	0.5
79.05489	18.6
81.03413	100.0
81.07047	14.3
82.03745	0.8
83.01369	0.3
83.04980	5.4
83.08614	11.7
85.02864	0.5
85.06532	1.1
85.72344	0.3
91.04884	0.7
91.05474	21.3
93.07037	10.1
95.04963	42.4
95.08599	4.7
96.05327	0.5
97.02873	2.4
97.06508	1.5
97.10173	0.7
98.21516	0.6
99.08073	0.7
103.05476	1.3
105.04545	0.4
105.07024	15.4
107.04954	8.9
107.08598	3.4
109.06520	3.6
109.10141	1.9
111.04434	2.6
111.08077	2.6
112.31689	0.3
115.05449	2.0
116.06189	0.5
117.07005	1.9
119.04967	1.0
119.08571	10.5
120.08110	0.6
121.06519	3.1
121.10128	3.9
123.04426	0.6
123.08003	1.6
123.11726	0.4
128.06248	0.8
128.98619	0.9
129.06998	9.5
131.08565	7.2
133.02847	1.4
133.06479	5.6
133.10127	5.9
135.08080	0.5
135.11685	1.3
137.05980	1.2
137.09616	1.5
142.07770	2.9
143.05989	0.3
144.06183	0.3
145.10126	0.7
146.97432	1.2
146.99637	1.2
147.04405	0.4
147.08057	3.9
147.11673	5.8
148.07576	1.2
149.02336	1.4
149.09607	3.8
149.13246	0.6
150.03117	1.3
151.11115	0.5
157.10120	6.6
161.05992	1.6
165.05472	0.5
165.12735	0.8
169.98996	0.6
170.01224	0.5
175.11194	6.3
175.14815	1.4
176.07091	0.4
178.02591	5.5
193.04959	9.1
193.08578	1.1
193.12227	11.5
193.15915	2.3
193.17557	0.5
194.08051	0.4
194.15425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03945	1.6
53.27542	0.5
54.01381	0.5
55.01865	1.6
55.05508	3.5
56.96550	0.7
57.03437	1.0
57.07080	0.7
62.67901	0.5
67.05500	6.9
69.03414	2.1
69.07072	2.7
70.65592	1.8
70.90343	0.5
71.04990	2.1
79.05491	14.5
81.03432	4.0
81.07060	7.7
83.04977	1.8
85.02922	0.6
85.06533	1.3
91.05479	48.0
93.07037	8.0
95.04971	5.8
95.08604	5.7
97.06532	3.0
99.08068	0.9
100.05338	0.5
101.34500	0.5
103.05495	3.8
104.16753	0.5
105.03380	0.7
105.07027	50.7
106.09214	0.5
107.04943	1.2
107.08599	4.2
108.24780	0.5
109.06519	3.4
109.07659	0.7
109.10153	1.7
111.08065	0.9
113.06000	1.5
115.05444	3.7
117.07012	6.3
118.04153	2.5
119.08579	100.0
120.08884	1.1
121.06477	1.7
121.10123	3.3
123.08051	1.7
129.06987	2.0
131.08597	3.4
132.97581	0.6
133.02850	2.2
133.06496	17.0
133.10136	10.7
134.07133	0.8
135.08046	3.9
135.11708	1.9
137.05951	2.4
137.09590	3.8
142.07738	1.4
143.06010	1.1
145.10126	1.7
147.08049	3.6
147.11684	48.4
148.12009	0.6
149.05952	1.2
149.09622	1.9
150.03059	1.3
150.06760	0.8
151.07556	1.2
151.11191	1.0
151.97112	0.5
157.10150	3.0
160.05191	0.6
160.08749	0.8
161.05980	11.8
163.11137	0.6
165.09058	1.3
165.12776	4.6
169.24283	0.6
175.07671	0.8
175.11182	26.7
175.14819	0.8
178.02621	4.5
193.04984	8.9
193.08653	6.8
193.10703	0.9
193.12242	20.1
193.15874	2.1
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
53.03944	9.5
55.01853	3.2
55.05297	1.0
55.05508	11.4
55.14314	1.0
56.96559	10.0
57.03421	2.2
57.07056	3.8
59.04984	1.7
59.18317	1.0
65.03922	4.0
65.52811	0.9
65.57400	1.4
66.78363	1.0
67.05501	37.1
69.03410	1.9
69.07065	8.3
71.00066	2.1
71.00389	1.4
71.04993	11.7
75.74569	1.0
77.03876	1.2
79.05489	61.9
81.03417	34.4
81.07051	30.8
82.10619	1.0
83.04977	7.2
83.08608	7.6
85.06516	4.4
87.04475	1.6
91.05476	100.0
92.05764	1.1
93.03421	1.2
93.07040	90.4
95.04967	33.8
95.08606	9.5
97.06516	4.1
103.05449	3.1
105.03343	1.6
105.04495	4.2
105.07024	55.9
107.04964	5.6
107.08596	7.7
109.06514	8.9
109.10188	5.3
109.88209	1.5
111.04394	1.3
111.08062	2.7
113.05994	3.1
115.05437	4.2
117.07018	2.5
119.04954	1.5
119.07785	2.0
119.08575	24.7
121.06506	2.6
121.10111	4.1
122.03638	1.6
123.08038	3.6
123.11698	2.6
127.07527	1.1
128.06252	1.8
128.98601	2.6
129.07001	19.0
131.08562	28.2
133.02861	9.4
133.06499	10.3
133.10124	95.7
134.10425	1.4
135.07986	1.2
135.11681	4.6
137.05963	3.8
137.09595	3.1
142.07756	5.1
145.10117	2.4
146.97458	6.1
146.99638	5.0
147.04391	1.4
147.08025	7.1
147.11687	21.6
149.02333	2.9
149.09570	3.6
150.03128	6.0
151.07516	1.4
157.10123	21.0
161.06009	6.8
165.00629	1.8
165.05443	1.8
165.12701	1.6
169.98987	1.7
175.07506	1.5
175.11171	22.0
175.14810	4.1
178.02603	24.9
178.07747	2.9
189.04326	3.1
193.04948	50.4
193.08537	3.5
193.10197	3.9
193.12216	28.6
193.13594	0.8
193.14064	1.1
193.15839	6.6
193.17462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03945	9.7
55.01859	4.0
55.05520	12.9
56.96567	15.0
57.03413	5.1
57.07069	5.8
61.73411	1.7
65.03915	5.3
65.93047	1.8
67.05169	3.1
67.05505	44.0
69.03416	4.5
69.07061	9.8
70.15680	6.1
71.04995	9.8
72.11731	1.6
72.19397	1.6
75.70259	1.9
77.03934	2.4
79.05492	65.4
81.03415	56.8
81.07055	37.6
83.04968	12.8
83.08604	7.9
85.06537	2.8
86.46494	1.6
91.05479	97.3
93.07041	91.0
95.04972	49.6
95.08607	18.0
97.02909	2.4
97.06517	4.2
98.20742	2.0
99.08060	2.7
103.05469	4.5
105.04513	2.6
105.07027	65.3
106.07336	2.0
107.04951	8.6
107.08595	17.3
109.06517	12.0
109.10168	10.6
110.32372	1.7
111.04420	2.6
111.08036	4.6
113.06023	2.0
115.05433	5.3
117.06977	4.0
119.04960	2.9
119.08583	36.5
121.06470	3.0
121.10114	4.8
122.03651	2.9
123.04410	2.4
123.08048	5.4
123.11665	3.1
128.98575	2.7
129.07010	16.0
131.08566	25.0
133.02847	14.0
133.06483	18.8
133.10130	100.0
135.08026	3.4
135.11696	13.8
137.05995	10.8
137.09615	5.6
142.07751	5.2
145.10138	1.9
146.97430	8.0
146.99631	7.8
147.04309	1.9
147.08037	7.9
147.11690	26.8
147.97470	1.9
149.02354	5.1
149.06020	2.6
149.09584	6.1
149.13251	3.2
150.03168	8.7
151.07510	2.1
151.11195	3.4
157.10132	20.7
161.05031	1.4
161.06015	15.5
165.05431	2.5
169.99028	3.3
175.11197	28.4
175.14798	19.0
178.02611	33.1
178.07846	2.0
189.04317	2.3
193.04955	64.1
193.08629	5.6
193.10390	2.7
193.12230	41.6
193.15871	10.7
193.17418	2.2
202.00482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02367	0.5
53.03944	1.7
55.01874	3.8
56.96571	0.5
65.03938	0.6
66.04723	0.8
70.65581	1.3
78.59014	0.5
79.05054	0.9
79.05494	13.6
81.07046	0.5
90.04704	1.4
91.05479	5.5
95.04961	3.1
103.05471	17.5
104.06254	0.5
105.07030	100.0
106.07364	1.9
107.04949	1.0
109.06477	1.2
115.05453	20.9
117.55854	0.5
118.04158	12.5
119.08591	1.1
122.03652	0.6
131.04924	4.2
132.05722	0.8
133.02899	3.2
133.06491	85.4
133.10138	1.4
134.06853	2.2
135.07967	0.5
137.05963	1.3
139.04124	0.4
143.04924	1.5
143.06042	6.1
146.03661	0.7
147.04393	0.7
147.11705	1.1
149.05933	0.8
150.03152	0.7
161.05980	85.4
162.06367	1.9
165.05447	0.7
168.08656	0.4
178.02628	4.3
178.06236	0.8
191.19385	0.4
193.04967	8.4
193.06808	0.9
193.08614	10.4
193.12263	1.4
214.55460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.02391	0.3
53.03957	0.3
55.01881	0.3
66.04708	0.3
70.52180	0.2
71.06692	0.3
71.07024	0.3
76.52253	0.2
77.03927	0.5
79.05475	0.6
81.03409	0.3
81.07066	0.4
89.03917	1.1
91.05466	0.9
93.07064	0.2
94.04193	1.2
95.04957	0.5
95.08665	0.2
103.05473	0.4
105.03397	1.6
105.07023	1.8
107.04967	0.3
109.06552	0.3
117.03388	0.6
118.04145	0.2
119.08558	0.3
122.03645	6.9
133.02852	42.9
133.06450	1.5
133.10106	0.8
134.03249	0.4
135.04378	0.2
137.05974	11.3
147.11673	0.3
149.05983	2.7
150.03133	5.1
161.02373	0.6
161.05966	1.4
162.17940	0.2
165.05472	4.2
178.02609	25.7
178.67986	0.2
179.02986	0.3
193.04958	100.0
194.05283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03940	1.8
55.01871	5.0
55.05509	3.2
56.25431	0.4
56.96564	2.6
57.03433	0.8
57.07064	1.9
65.03936	0.8
66.04712	1.3
67.05164	0.6
67.05501	7.7
69.03404	1.1
69.07057	1.7
70.06561	0.4
71.04977	2.0
71.16762	0.7
73.02907	0.5
77.03889	0.7
79.05492	17.0
79.05958	0.8
81.02966	0.7
81.03415	9.3
81.07057	5.2
82.06580	0.4
83.04980	1.7
83.06084	0.6
83.08612	1.4
85.02932	0.5
85.06499	1.0
87.04446	0.4
89.03900	0.6
90.04677	1.1
91.05476	25.0
93.07041	8.3
94.04197	0.6
95.04960	9.5
95.06038	0.6
95.08591	3.0
97.02877	0.9
97.06538	1.0
98.97582	1.7
99.04455	0.7
103.05462	14.8
104.06248	1.4
105.03427	0.8
105.07027	100.0
106.07373	1.6
107.04974	2.7
107.06053	0.4
107.08601	3.6
109.02917	0.4
109.06512	2.5
109.07652	0.7
109.10135	1.8
110.07069	0.4
111.04422	0.8
111.08102	0.5
111.09245	0.5
111.73019	0.4
115.05454	20.9
116.98605	1.6
117.07002	1.3
118.04158	9.5
119.05025	0.4
119.08575	15.6
121.06505	1.3
121.10125	1.5
122.03642	1.6
123.04472	0.6
123.08064	2.7
123.11741	0.5
128.81091	0.4
129.07005	3.6
131.04927	3.8
131.08557	6.7
132.05724	1.9
133.02853	9.2
133.06488	76.1
133.10123	45.0
134.06876	1.8
134.99681	1.4
135.04420	0.5
135.08038	1.7
135.11699	1.1
137.05966	5.1
137.09604	1.7
142.07780	1.2
143.04922	1.4
143.06042	4.9
145.10126	1.1
146.97411	1.3
146.99672	0.7
147.04404	0.7
147.08057	3.3
147.11691	11.3
149.05951	1.8
149.09634	3.2
149.13199	0.5
150.03098	3.2
151.07545	1.2
151.11157	1.2
152.06976	0.5
157.10138	4.1
158.99690	0.6
160.05154	1.1
160.08751	0.6
161.05977	75.3
162.06314	1.8
165.05457	1.2
165.09109	1.0
165.12691	0.9
175.03853	0.5
175.07454	0.6
175.09738	0.8
175.11179	10.4
175.14803	1.1
177.00658	0.9
178.02605	12.1
178.06190	1.2
178.07732	0.4
193.04964	28.1
193.08594	21.4
193.12245	12.7
193.15891	2.8
193.17574	0.7
194.05435	0.7
209.04797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02384	0.4
53.03942	0.3
55.05502	0.4
56.96541	0.3
63.90498	0.2
65.03957	0.6
67.05489	0.8
70.24871	0.3
70.25227	1.0
77.03923	0.7
79.05488	1.0
81.03420	1.6
81.07059	0.9
89.03914	0.5
91.05492	1.5
93.07033	0.8
94.04189	0.9
95.04948	1.2
95.08572	0.6
97.02800	0.3
97.06501	0.2
98.97571	0.4
103.05444	0.3
105.03401	1.5
105.07030	3.0
105.77681	0.3
107.04947	0.5
107.08561	0.6
109.06510	0.9
113.70907	0.3
115.05479	0.2
117.03381	0.6
119.08571	1.5
121.06548	0.4
121.10163	0.5
122.03640	5.5
129.06952	0.2
131.08542	0.3
133.02847	42.5
133.06499	1.2
133.10150	1.7
134.03218	0.8
135.04428	0.3
137.05969	11.8
147.08012	0.4
147.11682	1.2
148.07588	0.3
149.02316	1.1
149.05991	2.9
150.03113	4.2
151.11162	0.2
155.66515	0.2
157.10126	0.3
161.02364	0.6
161.05939	0.7
165.05463	4.0
175.11186	0.7
178.02609	24.1
179.02960	0.7
181.02908	0.2
193.04956	100.0
193.12048	1.1
194.05296	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.02384	0.3
53.03939	0.7
55.01875	1.9
56.96569	0.7
61.13496	0.3
66.04727	0.7
66.19965	0.3
67.05507	0.5
69.03446	0.3
69.07049	0.3
71.04970	0.4
71.29297	0.8
77.03931	1.1
78.04710	0.3
79.05488	6.0
80.06232	0.3
81.03413	0.7
81.07027	0.6
89.03909	1.4
90.04700	0.6
91.05488	3.8
94.04201	1.1
95.05000	1.8
95.08645	0.3
98.97563	0.4
102.04695	0.4
103.05470	7.0
105.03391	2.1
105.07025	39.4
106.07380	0.4
107.04963	0.6
107.08611	0.4
109.06528	0.3
115.05451	9.1
117.03371	0.7
118.04162	4.9
118.04932	0.5
119.04958	0.4
119.08608	1.2
121.06449	0.4
122.03641	6.4
122.04469	0.5
131.04936	1.7
132.05707	0.6
133.02849	43.0
133.06485	34.7
133.10109	1.5
134.03593	0.4
134.07123	0.3
137.05969	12.3
137.09528	0.4
143.05009	0.6
143.06032	2.5
146.99634	0.3
147.04408	0.5
147.08069	0.6
147.11653	0.5
149.05963	3.0
150.03116	5.8
151.48695	0.3
161.02332	1.1
161.05974	33.9
165.05467	4.3
175.11206	0.9
178.02608	28.6
179.03009	0.4
193.04958	100.0
193.08524	5.4
193.12216	1.3
194.05357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02381	0.4
51.12685	0.2
53.03931	0.4
55.01871	0.2
55.05506	0.2
57.07072	0.4
59.04985	0.2
65.03945	0.3
66.04711	0.2
67.05495	0.6
69.03444	0.3
69.07063	0.4
69.47722	0.8
69.48151	0.7
71.59055	0.2
77.03928	0.6
78.04691	0.2
79.05479	1.0
81.03412	1.1
81.07050	1.1
89.03920	0.8
91.05474	1.6
93.07024	0.6
94.04187	1.0
95.04984	1.4
95.08620	0.8
98.20663	0.4
103.05491	0.2
105.03388	1.5
105.07037	2.0
107.04890	0.3
107.08577	0.5
109.02837	0.2
109.06503	0.8
109.10141	0.6
117.03371	0.7
119.08576	1.0
121.10132	0.4
122.03643	6.5
123.04442	0.2
123.08054	0.5
123.11713	0.2
133.02850	44.5
133.06432	0.9
133.10135	1.2
134.03163	0.5
135.04408	0.3
135.11656	0.4
137.05974	12.6
137.09651	0.4
147.04338	0.2
147.08087	0.3
147.11687	0.9
149.05995	3.6
150.03116	4.3
161.02321	0.7
161.05969	0.9
165.05481	4.6
174.38046	0.2
175.07553	0.3
175.11179	0.4
175.14882	0.4
178.02606	28.7
193.04959	100.0
193.12027	1.5
193.15805	1.2
194.05342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.0
55.05270	1.0
55.05511	19.1
56.96572	6.5
57.07072	8.1
65.03945	2.5
67.05506	22.5
69.03429	2.9
69.07070	48.5
69.70580	8.2
71.04997	1.5
71.72466	1.1
79.05492	24.7
81.07058	24.4
83.08618	15.6
91.05477	19.7
93.07048	63.5
94.07337	1.8
95.04970	5.3
95.08608	85.0
96.08927	2.1
97.10162	11.5
98.20741	1.4
103.05449	1.6
105.07034	15.4
107.04939	3.8
107.08597	70.8
108.08878	1.2
109.06522	4.5
109.10159	49.9
109.10916	2.7
111.11746	1.3
117.07057	5.8
119.08556	5.8
120.08093	1.5
121.06511	3.4
121.10144	89.3
122.10477	3.0
123.08031	3.7
123.11721	8.8
129.06952	1.4
130.07774	1.3
130.89487	1.1
131.04884	2.6
131.08545	7.9
133.10124	8.9
135.08052	6.7
135.11696	65.9
142.06230	1.2
142.07312	1.4
145.07588	1.5
145.10130	8.0
146.06027	3.4
147.06885	1.1
147.08017	1.7
147.11682	4.3
148.07491	2.0
149.01202	3.5
149.09627	4.5
149.13264	17.9
163.07521	1.7
163.11230	2.3
163.14824	3.3
173.09631	2.7
173.13234	7.6
187.08179	1.2
191.03293	2.6
191.07024	4.4
191.08528	1.5
191.10637	6.7
191.14311	27.5
191.17950	100.0
192.06506	4.9
192.17604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05270	1.0
55.05511	19.1
56.96572	6.5
57.07072	8.1
65.03945	2.5
67.05506	22.5
69.03429	2.9
69.07070	48.5
69.70580	8.2
71.04997	1.5
71.72466	1.1
79.05492	24.7
81.07058	24.4
83.08618	15.6
91.05477	19.7
93.07048	63.5
94.07337	1.8
95.04970	5.3
95.08608	85.0
96.08927	2.1
97.10162	11.5
98.20741	1.4
103.05449	1.6
105.07034	15.4
107.04939	3.8
107.08597	70.8
108.08878	1.2
109.06522	4.5
109.10159	49.9
109.10916	2.7
111.11746	1.3
117.07057	5.8
119.08556	5.8
120.08093	1.5
121.06511	3.4
121.10144	89.3
122.10477	3.0
123.08031	3.7
123.11721	8.8
129.06952	1.4
130.07774	1.3
130.89487	1.1
131.04884	2.6
131.08545	7.9
133.10124	8.9
135.08052	6.7
135.11696	65.9
142.06230	1.2
142.07312	1.4
145.07588	1.5
145.10130	8.0
146.06027	3.4
147.06885	1.1
147.08017	1.7
147.11682	4.3
148.07491	2.0
149.01202	3.5
149.09627	4.5
149.13264	17.9
163.07521	1.7
163.11230	2.3
163.14824	3.3
173.09631	2.7
173.13234	7.6
187.08179	1.2
191.03293	2.6
191.07024	4.4
191.08528	1.5
191.10637	6.7
191.14311	27.5
191.17950	100.0
192.06506	4.9
192.17604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
54.98822	0.8
55.05509	17.2
56.96553	3.2
57.07079	7.6
67.05504	17.4
69.03433	1.2
69.07066	42.6
71.42034	1.0
72.60877	0.9
79.05486	19.1
81.07058	18.9
83.08120	1.6
83.08613	18.5
85.06485	0.9
91.05476	10.6
92.03862	0.9
93.07042	56.1
95.04969	2.6
95.08604	80.1
96.08942	1.5
97.10172	9.5
100.67002	1.0
103.05470	5.3
105.03362	1.3
105.07039	9.9
107.04919	2.3
107.08589	63.7
109.06494	2.2
109.10152	41.6
111.11708	1.8
115.05489	1.2
117.06997	2.7
117.77969	0.8
118.04182	1.7
119.08575	4.2
120.08136	1.3
121.06531	1.8
121.10140	83.6
122.10455	1.5
123.08087	2.2
123.11714	7.1
130.04080	1.3
131.04921	6.2
131.06870	1.9
131.08556	4.1
132.26320	1.0
133.02809	0.9
133.10126	5.0
135.04427	1.1
135.08070	2.9
135.11691	61.7
136.12003	1.6
145.10104	4.2
146.05951	1.5
147.11685	3.4
148.05157	3.6
149.01189	2.0
149.09605	2.0
149.13249	15.9
162.13959	1.1
163.07559	4.3
163.11238	1.9
163.14793	3.1
173.06033	1.2
173.09602	1.7
173.13202	3.3
176.04707	2.0
191.03294	1.5
191.06975	6.3
191.10651	5.3
191.14311	14.6
191.17940	100.0
192.06549	1.3
192.18324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02365	0.5
53.03944	2.1
55.01853	0.6
55.05511	17.3
56.96572	3.0
57.07077	5.7
65.03926	0.7
66.04753	0.6
67.05505	18.8
69.03429	1.3
69.07069	43.9
71.08615	0.9
71.59566	0.8
79.05493	18.2
79.05956	0.9
80.05814	0.5
81.07060	21.5
83.04980	0.6
83.08624	16.7
83.94377	0.5
91.05478	11.9
93.07045	57.4
94.07353	0.7
95.04972	3.3
95.08607	80.4
96.08932	1.3
97.06543	0.7
97.10170	9.9
102.04697	0.6
103.05465	8.1
105.07032	10.1
106.07858	0.6
106.16459	0.6
107.04975	2.0
107.08598	67.8
108.08902	1.0
109.06528	2.2
109.10158	45.6
111.11739	1.7
114.03305	0.5
115.05475	1.2
116.98690	0.6
117.07007	2.2
118.04166	2.4
119.08569	4.4
121.06528	1.4
121.10143	88.3
122.10523	1.3
123.08078	1.5
123.11704	9.0
124.12053	0.5
129.06990	0.8
130.04207	0.9
131.04903	3.8
131.08589	3.6
133.02831	1.0
133.06502	0.8
133.10135	4.4
135.08099	3.3
135.11697	64.9
136.12062	1.4
143.08563	0.7
145.06490	1.2
145.10132	3.5
146.06017	1.8
147.06848	0.7
147.08008	0.8
147.11708	3.1
148.05238	3.4
148.12462	0.9
149.01228	1.0
149.09610	2.0
149.13257	16.6
150.96869	0.8
155.05528	0.5
156.06190	1.5
162.13977	0.6
163.07536	5.0
163.11168	1.4
163.14854	2.5
167.02318	0.8
173.05991	0.9
173.09624	1.3
173.13286	3.6
176.04680	1.8
191.03421	0.8
191.06993	5.0
191.08517	0.9
191.10718	3.3
191.14371	11.9
191.17953	100.0
192.06535	1.4
192.18259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01855	1.9
55.05517	4.7
56.96573	3.8
57.03433	1.0
57.07060	1.7
59.04997	0.8
62.75900	0.5
65.03922	1.8
67.05174	0.8
67.05504	12.1
69.03430	5.3
69.07066	10.6
69.48536	3.7
69.48946	1.4
69.84160	0.6
71.04645	0.8
71.04993	14.4
71.23219	0.6
72.93768	0.8
79.05491	10.8
81.07058	13.3
83.04956	1.5
83.08604	2.8
85.06142	0.7
85.06546	7.4
91.05476	18.5
93.07040	20.8
95.04966	9.5
95.08604	17.7
97.06530	15.0
97.10147	1.0
98.20676	1.0
102.21629	0.7
103.05482	2.9
105.07027	30.3
107.04947	6.2
107.08588	42.4
109.06516	13.2
109.09444	1.2
109.10147	14.6
111.08077	5.1
115.05445	1.5
116.06215	1.3
117.07021	5.4
119.08575	15.8
121.06504	5.0
121.10142	36.6
123.08048	6.7
123.11664	1.4
129.06976	2.7
130.04132	0.6
130.07756	2.1
131.04889	1.3
131.08563	25.0
133.06583	0.6
133.10124	31.7
135.08047	29.8
135.11681	6.1
143.08536	5.9
144.09344	1.7
145.06461	0.7
145.10120	13.7
146.06020	0.8
147.07982	1.4
147.11684	20.0
148.08754	1.2
149.01227	1.1
149.05954	0.8
149.09605	8.4
149.13252	19.2
150.96902	1.0
158.10898	9.4
161.05997	0.8
161.09613	1.9
163.07491	1.1
163.11177	3.0
163.14815	1.5
167.02394	1.0
173.09631	1.8
173.13264	33.4
174.13545	1.0
176.04659	0.8
176.11931	2.5
191.03352	1.7
191.06999	4.7
191.10712	7.0
191.14299	100.0
192.14622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03930	1.5
55.05506	14.7
57.07070	3.9
61.12495	0.6
65.03932	0.7
65.67919	0.5
67.05168	0.9
67.05502	15.2
69.07064	38.3
69.66449	4.4
71.08624	1.0
79.05056	1.0
79.05489	14.6
81.07049	17.2
83.08614	14.4
91.05478	7.4
93.07038	51.2
95.04958	2.3
95.08600	76.1
96.08936	1.2
97.10159	10.0
98.20750	0.8
105.07024	7.1
107.08587	56.9
108.08921	1.2
109.06521	1.4
109.10149	35.9
110.10482	0.8
111.11689	1.3
117.07001	0.9
119.08556	3.1
121.10136	76.9
122.10442	2.1
123.08042	0.9
123.11706	6.8
123.35188	0.7
131.04750	0.7
131.08597	1.1
133.10098	2.3
135.08057	1.3
135.11684	56.8
136.11978	0.8
145.10127	1.1
146.05977	1.1
147.11679	2.8
149.09523	0.7
149.13240	16.3
149.14371	1.3
163.11110	1.2
163.14769	2.2
173.13248	2.2
191.06934	0.8
191.10622	1.2
191.14352	6.3
191.17934	100.0
192.06500	1.5
192.18277	3.0
205.29021	0.7
211.52634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01874	3.7
55.05507	13.1
56.96559	2.7
59.04976	2.7
67.05505	12.2
69.03436	33.7
69.07080	12.5
69.54055	16.5
71.04986	5.7
79.05495	59.0
81.07066	49.6
83.04990	14.5
83.08627	3.0
85.06531	6.1
91.05494	27.8
93.07055	24.4
95.04977	13.8
95.08601	15.7
97.06539	7.2
99.05141	2.1
103.05484	3.7
105.07037	26.4
107.04968	35.4
107.08601	85.3
109.06544	11.1
109.10172	17.0
111.08068	3.4
115.05390	2.0
117.07032	6.4
119.08576	13.1
121.06535	17.1
121.10156	29.1
122.07264	2.2
123.08050	8.9
129.07024	3.8
131.04839	1.9
131.08571	24.3
133.10139	64.3
135.08054	28.7
135.11696	9.7
136.08824	3.3
137.09602	10.8
143.08588	4.1
145.06525	2.7
145.10136	15.1
147.07977	2.7
147.11705	13.9
149.09619	11.6
149.13280	14.8
158.10901	7.8
161.09628	2.8
163.14825	3.4
173.09769	4.1
173.13280	33.0
191.07153	4.4
191.10622	12.2
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27259	1.0
53.03934	1.9
55.01871	2.7
55.05495	4.4
56.36981	1.0
57.03420	2.9
57.07066	2.7
59.04998	1.9
67.05507	17.4
69.03422	3.8
69.07066	10.2
69.28156	13.1
71.04994	10.3
73.26628	1.0
79.05489	12.1
81.07052	15.6
81.46146	1.1
83.04974	2.5
83.08601	4.2
85.06530	4.2
91.05478	25.3
93.07046	18.5
95.04969	16.2
95.08613	14.6
97.06510	6.8
97.07719	1.3
103.02181	2.5
103.05452	2.8
105.07022	44.7
106.77650	1.2
107.08588	37.6
109.06508	23.9
109.10150	52.6
114.05577	2.7
115.05444	2.9
116.06244	2.8
117.07024	8.1
118.07874	1.3
119.08579	21.4
120.04755	1.3
121.06550	6.0
121.10136	19.8
123.08056	12.1
123.11695	7.1
125.24954	1.1
129.06990	3.9
130.07767	1.9
131.04897	1.5
131.08560	53.4
133.06429	2.4
133.10123	100.0
134.10478	1.4
135.08054	54.3
135.11700	3.4
143.08539	8.3
144.09290	3.7
145.10101	23.2
147.08073	2.1
147.11681	10.6
149.09615	12.3
149.13257	19.4
150.10324	2.9
158.10902	15.9
161.09593	2.3
163.11177	1.2
163.14784	3.4
171.11694	2.5
173.13258	61.5
174.13641	1.8
176.12041	2.2
191.14299	73.3
192.14687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01843	2.2
55.05491	5.3
57.07046	2.2
59.05025	1.3
64.98569	1.3
67.05503	11.2
69.03426	14.7
69.07069	15.7
70.95258	1.9
70.95605	3.6
78.52840	1.5
79.05484	13.4
81.07057	15.9
83.04975	8.7
83.08607	4.7
85.06534	2.2
91.05468	13.3
92.36462	1.5
93.07050	20.1
95.04971	12.3
95.08603	16.2
97.06549	7.5
103.05458	4.7
105.07030	19.8
106.07368	1.4
107.04935	5.1
107.08588	39.8
108.52824	1.3
109.06500	9.3
109.10155	9.2
111.08076	4.4
115.05402	2.4
117.07021	8.1
118.04140	2.6
119.08584	13.4
121.06521	16.3
121.09315	2.3
121.10145	37.2
123.08065	6.2
129.06982	3.3
130.07756	1.8
131.04904	4.0
131.08559	22.7
133.06461	2.3
133.10127	28.1
135.08049	27.0
135.11674	9.5
137.09612	1.8
143.08549	5.3
145.06421	1.6
145.10135	15.6
147.08054	4.3
147.11691	16.6
148.05081	1.4
148.08813	5.3
149.05968	1.8
149.09592	14.8
149.13278	13.7
158.10947	8.4
161.09613	3.4
163.07703	2.1
163.11148	2.3
163.14830	8.3
173.09596	2.6
173.13268	25.2
176.11934	2.6
184.76035	1.5
191.03397	2.2
191.06837	4.7
191.10658	8.6
191.14291	100.0
192.14734	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	2.3
55.01869	3.6
55.05499	5.2
56.96560	2.0
57.03431	2.2
57.07058	2.8
66.51550	1.4
67.05507	28.5
69.03407	2.5
69.07068	8.8
71.04996	24.0
79.05489	16.8
79.52758	1.5
81.07063	13.8
81.42855	1.5
83.04955	2.9
83.08597	4.0
85.06555	9.7
88.57883	1.7
91.05477	23.8
93.07050	16.7
95.04985	13.2
95.08598	13.0
97.06541	8.6
97.40081	1.5
105.06378	2.8
105.07028	35.0
107.04940	2.4
107.08593	48.9
108.69843	1.8
109.05785	2.2
109.06518	35.3
109.10154	96.8
110.10500	2.2
111.08078	1.9
113.66336	1.6
115.05413	2.0
117.06998	10.3
119.08577	15.2
121.06487	7.0
121.10146	43.0
123.08068	21.7
125.41290	1.4
129.07028	3.3
131.08572	54.1
133.10130	31.0
134.47997	1.4
135.08051	93.8
135.11673	2.9
136.40530	1.4
143.08531	7.2
144.09343	2.2
145.10141	14.5
147.08029	4.1
147.11682	16.6
148.08801	3.9
149.09621	14.3
149.13242	11.7
150.10384	4.5
158.10890	11.4
161.09610	3.2
163.14745	2.0
173.13269	50.4
176.11957	3.7
188.69208	1.5
191.14297	100.0
192.14565	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	2.2
55.01864	3.6
55.05501	5.2
56.96566	5.9
57.03417	2.0
57.07061	1.6
59.04985	1.6
65.03926	1.7
67.05502	22.6
69.03433	4.1
69.07066	10.1
70.74310	2.3
71.04632	1.3
71.04992	13.5
79.05058	1.1
79.05490	15.9
80.40869	0.9
81.06636	1.2
81.07058	14.8
83.04967	2.6
83.08620	4.0
85.06543	4.4
91.05473	24.6
93.07040	19.0
95.04969	15.0
95.08601	16.7
97.06509	7.7
98.21408	0.9
98.40098	0.8
103.05461	2.0
105.07031	41.9
107.04931	3.8
107.07862	1.2
107.08589	33.6
109.06513	44.0
109.10151	91.5
110.10477	1.3
111.08048	1.4
115.05458	3.4
116.06220	2.2
117.07021	10.4
118.06496	0.8
119.06025	1.2
119.08572	12.5
121.06519	6.3
121.10141	17.3
122.07324	1.4
123.08068	21.4
129.07014	6.6
130.07779	1.7
131.04930	1.2
131.08565	60.4
133.06468	2.3
133.10127	81.2
134.10455	2.0
135.08049	100.0
135.11661	3.0
143.08569	8.3
144.09306	2.9
145.06480	1.2
145.10123	19.4
147.08037	3.4
147.11702	9.8
148.08827	2.7
149.01176	2.0
149.09628	17.7
149.13261	10.1
150.10400	5.4
150.96863	1.3
155.05325	0.9
156.06154	1.6
157.10072	1.1
158.10915	14.8
161.09641	4.7
163.11136	3.9
163.14793	2.3
169.05162	1.6
171.11600	2.1
173.13257	64.0
174.13609	0.9
176.11960	3.2
191.03412	1.7
191.07005	2.9
191.10715	6.1
191.14302	96.8
192.06648	0.9
192.14670	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05499	3.4
57.03412	2.5
57.07058	1.6
58.88365	1.3
67.05498	16.4
69.03395	2.3
69.07058	7.2
69.90047	7.7
71.04995	7.3
77.90858	1.3
79.05494	10.6
81.07046	10.2
83.08610	2.9
85.06535	3.5
91.05475	20.6
93.07050	13.0
95.04966	7.9
95.08604	12.8
97.06534	6.0
105.07025	37.2
107.04952	2.4
107.08598	23.6
109.06522	25.1
109.10157	49.4
115.05403	1.9
116.06232	1.9
117.07038	8.8
119.08588	9.9
121.06502	4.3
121.10133	14.4
123.08062	12.8
129.06989	4.4
130.07809	1.3
131.08563	48.8
133.06497	2.3
133.10127	100.0
135.08047	56.2
135.11667	2.0
143.08548	5.5
144.09357	2.6
145.10117	17.0
147.08034	1.4
147.11667	8.5
149.09627	10.9
149.13274	5.6
150.10379	2.0
158.10907	11.8
161.09579	2.0
163.11119	1.7
163.14774	1.4
173.13258	50.6
191.10641	2.2
191.14308	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.95233	2.3
55.01862	3.4
55.05494	10.1
56.96541	8.5
57.07075	4.2
61.86602	2.6
63.67674	2.4
67.05500	17.4
69.03405	4.4
69.07052	11.3
70.95385	3.8
70.95738	4.8
71.04996	17.8
74.86023	2.8
76.51975	2.3
79.05493	18.5
81.07054	16.9
82.93624	2.3
83.04987	3.7
83.08604	7.3
85.06530	7.2
91.05473	25.6
93.07043	22.0
94.01303	2.7
95.04963	17.8
95.08598	21.7
97.06523	14.0
103.05486	3.8
105.07033	41.7
107.04958	10.6
107.08587	43.8
109.06515	28.0
109.10153	23.8
111.08077	8.6
115.05441	3.2
117.06998	6.9
119.08587	16.9
121.06494	9.5
121.10127	52.7
121.71904	2.5
123.08082	19.1
129.07042	3.9
130.07802	3.4
131.08568	48.0
133.10118	46.0
135.08055	51.0
135.11684	7.9
135.41945	2.6
143.05434	6.5
143.08554	4.4
145.10133	20.2
147.11667	27.5
149.01215	4.6
149.09612	12.3
149.13254	19.1
152.05936	5.5
158.10886	12.6
161.09557	2.6
163.11153	4.8
163.14792	3.2
168.07210	4.5
168.89691	2.7
173.09537	3.1
173.13266	59.0
183.52422	2.4
191.07022	6.2
191.10670	11.1
191.14291	100.0
191.17975	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.3
55.01856	3.4
55.05503	5.0
56.96572	1.3
57.03429	1.8
57.07072	1.9
59.04982	1.1
59.80266	1.0
65.03921	2.0
67.05167	1.4
67.05506	20.6
69.03438	5.4
69.07072	9.2
70.29056	3.2
71.04990	12.7
79.05126	1.2
79.05498	16.1
81.07060	12.3
83.04967	3.5
83.08602	4.1
83.09051	1.0
85.06541	6.5
86.00578	0.9
91.05481	41.4
93.07050	17.1
94.93103	0.9
95.04974	13.8
95.08614	13.8
97.06499	5.1
103.05501	4.7
105.07032	45.0
107.04942	3.8
107.08596	36.8
109.06523	37.7
109.10158	69.3
115.05437	3.2
116.06236	2.7
117.07024	17.4
117.17773	1.0
119.08586	15.2
121.06520	9.8
121.09312	1.5
121.10144	20.4
122.07192	1.0
123.08073	18.2
129.06987	5.0
130.07817	5.6
131.04907	2.4
131.08569	49.2
132.48009	1.0
133.10130	22.2
135.04439	6.7
135.08055	71.3
135.11665	5.4
136.15681	1.0
143.08551	6.6
144.09355	2.8
145.10127	60.4
146.10411	1.4
147.08049	2.6
147.11687	12.5
148.08794	3.3
149.05977	3.5
149.09622	18.1
149.13252	8.1
150.10391	3.7
158.10931	8.8
161.09630	2.8
163.07529	2.1
163.11162	4.1
163.14853	3.0
165.10358	1.2
173.09674	4.9
173.13264	48.6
174.13583	1.8
176.11972	2.2
191.07019	2.6
191.10718	9.4
191.14308	100.0
192.14729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
55.05514	1.0
55.59099	0.4
59.77983	0.4
67.05475	1.0
69.03432	0.8
69.07064	16.1
69.53867	3.5
69.54261	0.6
70.13458	0.4
79.05485	1.8
80.56635	0.5
81.07034	1.0
83.04971	1.4
83.08566	0.5
91.05484	3.5
91.65119	0.4
93.07041	10.0
95.04958	1.0
95.08591	2.0
97.06506	1.6
99.01253	0.5
105.07043	2.6
107.08591	8.0
109.06502	1.0
109.10145	0.7
111.99132	0.5
117.07035	1.4
119.08562	2.3
121.06504	16.3
121.10142	7.5
121.10992	0.6
123.08044	1.9
131.08577	3.1
131.90004	0.5
133.10126	5.0
135.08051	7.2
135.11652	2.9
137.09583	1.5
143.08644	0.6
145.10103	1.8
147.11676	22.1
148.12035	0.6
149.09624	2.5
149.13255	7.7
158.10910	0.9
161.09602	5.5
163.11223	0.7
163.14774	0.8
173.13261	7.6
176.11914	2.1
191.14301	100.0
192.14622	2.0
208.00549	0.4
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
53.03957	0.8
55.01886	4.1
55.05499	1.4
57.07087	0.6
67.05483	1.3
69.03415	1.8
69.06721	1.0
69.07069	17.5
70.95306	1.0
70.95679	1.4
79.05482	2.5
81.07038	1.7
83.04954	2.5
91.05480	5.8
93.07042	14.8
95.04978	1.2
95.08598	2.5
97.06519	2.5
105.07049	4.0
107.04974	0.9
107.08597	12.3
109.06490	1.6
109.10155	2.7
117.07025	1.6
119.08567	3.9
121.06513	18.2
121.10151	8.2
122.31227	0.5
123.08054	2.7
129.07024	0.7
131.08572	4.6
133.10135	13.1
135.08051	8.7
135.11646	2.8
137.09615	1.3
143.08504	1.1
145.10126	3.0
147.11688	25.5
148.12128	0.6
149.09605	2.7
149.13254	8.1
158.10896	2.3
161.09627	7.8
163.14793	1.4
173.13261	11.3
176.11955	2.1
191.14310	100.0
192.14645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05491	3.6
57.03426	2.0
57.07073	2.7
60.29113	1.0
67.05517	8.1
69.03139	1.0
69.03427	13.0
69.07066	7.2
69.34690	9.9
69.35094	1.8
69.46445	1.1
71.04987	2.6
76.01692	1.1
79.05493	14.4
81.07048	13.7
83.04960	3.8
83.08614	2.1
85.06545	1.5
91.05475	12.3
92.06371	1.2
93.07056	11.3
95.04955	4.9
95.08601	8.3
97.06530	2.9
103.05462	4.5
105.07025	20.7
107.04943	8.9
107.08591	33.1
109.06516	6.4
109.10146	24.2
115.05476	2.2
117.07001	4.8
119.08572	10.4
121.06504	5.6
121.10135	23.0
122.07268	2.3
123.08035	4.2
129.06952	1.3
130.07806	1.2
131.04926	2.1
131.08562	18.2
133.10121	100.0
134.10463	1.4
135.08035	18.1
135.11635	4.4
137.09615	11.8
143.08562	4.4
144.09254	1.8
145.10120	8.8
147.08130	1.3
147.11673	7.0
149.09676	6.7
149.13249	14.9
158.10934	7.4
163.07478	2.1
163.11122	2.3
163.14804	3.9
173.09647	1.8
173.13255	25.6
176.04642	1.3
191.06996	3.7
191.10713	3.4
191.14294	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	2.2
55.01851	3.4
55.05496	6.0
57.03429	1.5
57.07068	1.9
65.03915	1.9
67.05501	21.8
67.32678	1.2
69.03429	12.0
69.07069	10.9
69.59748	7.7
69.60171	3.1
71.04992	10.4
79.05492	14.3
81.07059	14.9
83.04946	2.1
83.08611	5.2
85.06528	5.1
90.52111	1.3
91.05484	18.1
93.07052	14.1
95.04971	12.5
95.08609	13.5
97.06520	3.3
98.21562	2.1
103.05473	1.5
105.07020	27.6
107.04929	5.1
107.08590	38.1
109.06518	37.9
109.10154	77.3
110.18640	1.5
111.08067	3.1
115.05462	4.2
117.07048	7.3
119.08572	12.3
121.06506	6.5
121.10139	21.8
123.08043	17.2
128.06203	1.7
129.06990	3.5
130.07735	1.6
131.04964	1.6
131.08566	48.3
133.06555	1.8
133.10127	70.3
135.08052	92.4
135.11658	7.3
136.08714	1.8
137.09633	7.0
143.08560	5.8
144.09331	2.2
145.10118	12.6
147.08054	3.9
147.11691	7.7
148.08748	1.9
149.09622	13.0
149.13275	12.5
150.10371	5.3
158.10902	11.4
161.09581	4.0
163.07404	1.6
163.11130	2.4
163.14893	2.5
167.05486	1.7
171.11609	1.8
173.13268	46.3
176.11952	4.7
191.03436	1.6
191.10672	4.6
191.14308	100.0
192.14780	2.3
192.23035	1.5
212.51851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01874	1.4
55.05494	4.0
57.07061	2.2
67.05486	4.1
69.03136	1.2
69.03429	13.7
69.07067	5.5
69.75504	7.0
69.75914	2.5
71.04984	2.6
74.93752	1.2
79.05495	7.3
81.07042	5.6
83.04989	9.3
83.08615	2.7
85.06523	2.9
91.05478	11.1
93.07027	6.7
95.04945	2.2
95.08615	5.3
97.06524	6.3
98.21432	1.5
103.05473	2.7
105.07027	24.3
107.04904	1.2
107.08593	25.8
109.06515	3.5
109.10133	4.7
111.08032	1.7
117.07015	4.1
119.08575	10.1
121.06478	4.5
121.10137	13.9
123.08056	6.2
123.11669	2.0
123.52988	1.1
125.88705	1.0
129.06966	2.4
130.07747	1.6
131.04884	1.5
131.08569	25.8
133.10127	78.4
135.08067	11.9
135.11705	2.0
143.08582	6.6
144.09398	2.6
145.10118	11.7
147.11694	7.2
148.05180	2.0
148.08798	1.2
149.09586	5.7
149.13260	7.5
158.10876	8.9
159.44904	1.1
161.09627	3.5
163.07599	1.2
163.11115	2.3
163.14801	1.6
173.13254	39.5
176.12065	1.3
191.07068	1.4
191.14302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.28869	0.6
55.01860	0.6
55.05511	2.8
57.07089	0.9
65.03947	0.6
67.05516	2.1
69.03429	7.3
69.07063	3.8
69.64972	4.2
69.65365	1.3
71.05002	2.2
79.05499	4.3
81.07043	2.9
83.04984	6.3
83.08649	0.8
85.06529	1.6
91.05476	9.8
93.07046	6.3
95.04964	0.8
95.08601	3.7
97.06537	5.0
98.21482	0.8
105.07027	20.3
107.08589	24.6
109.06516	2.0
109.10146	2.6
111.08117	1.0
115.05432	0.6
117.07034	2.3
119.08578	7.1
121.06526	2.8
121.10129	13.4
123.08063	4.1
123.11749	1.0
124.99986	0.7
125.12711	0.6
129.07005	2.0
131.08568	20.7
133.10127	79.6
135.08041	7.6
135.11710	0.7
137.09714	0.6
143.08536	3.5
144.09315	2.1
145.10121	9.1
146.61624	0.6
147.11693	5.5
149.09630	3.4
149.13257	6.8
154.16548	0.6
158.10899	8.7
161.09593	2.3
163.11093	1.3
163.14821	1.2
173.13260	29.1
174.13577	0.8
176.11971	1.6
191.14302	100.0
192.14619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45230	1.3
53.03954	1.2
55.01876	7.2
55.05498	5.3
56.05034	1.5
56.96574	13.6
57.03410	1.8
57.07072	2.4
60.04522	6.5
61.01149	14.2
65.03941	1.3
67.05511	8.2
68.99795	1.3
69.03433	8.1
69.07079	8.8
70.89089	1.1
71.04972	3.7
71.06129	1.5
71.59398	2.5
72.04519	51.4
72.93786	5.3
73.02926	1.7
78.03790	31.5
79.05492	14.8
81.03400	2.5
81.07063	11.3
81.74593	1.3
82.06570	1.8
83.04977	4.9
83.08592	2.6
85.02919	2.7
85.06534	1.9
86.06065	6.6
90.94820	3.3
91.04958	2.5
91.05477	27.7
93.07047	15.7
95.04982	9.9
95.08607	8.3
97.02902	1.8
97.06510	4.2
98.97577	4.7
102.03773	30.9
103.02168	100.0
103.05470	16.7
105.03385	2.2
105.07030	31.5
107.04934	6.0
107.08599	28.6
108.95850	2.0
109.06518	9.1
109.07635	4.4
109.10156	11.7
114.03793	15.3
114.05531	95.6
115.05441	3.6
116.06264	2.3
116.98649	7.4
117.07008	14.1
118.04168	5.9
119.01878	1.6
119.04959	3.4
119.08578	17.7
120.04807	78.0
120.05652	3.2
120.08085	3.2
121.02892	3.3
121.06498	8.9
121.07619	1.8
121.10133	16.6
123.08071	5.3
123.11681	2.2
128.98615	1.8
129.07018	5.2
130.04118	2.9
130.07747	3.6
131.04926	19.3
131.06390	11.1
131.08566	65.0
131.97404	1.9
132.04785	24.0
132.05704	2.4
132.95853	2.0
133.02853	2.3
133.06462	3.1
133.10127	30.2
134.99667	5.9
135.04459	4.1
135.08055	22.8
135.11708	5.8
136.08801	1.8
143.08565	4.8
145.06502	6.4
145.10123	36.0
146.06010	6.4
146.07013	1.8
147.04436	3.4
147.08038	4.3
147.11664	7.0
148.05156	7.7
148.08698	1.9
149.01280	8.6
149.06142	2.4
149.07445	47.7
149.09570	17.9
149.13280	10.0
149.96077	3.2
150.10284	2.5
150.96901	7.8
151.11072	2.6
155.08504	3.4
158.10916	5.8
159.04424	1.9
162.05820	2.6
163.07559	12.6
163.09969	1.5
163.11157	9.5
163.14812	3.5
166.98784	1.5
167.02318	5.2
167.97189	3.8
173.09621	8.7
173.13260	25.6
174.05830	10.8
176.04712	5.5
176.11992	1.6
177.00671	2.2
191.03423	5.6
191.07007	17.8
191.08514	29.2
191.10674	21.1
191.12927	2.7
191.14316	58.2
191.16064	3.2
191.17946	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02388	0.6
53.03947	2.1
55.01870	2.1
55.05506	3.2
56.96567	5.3
57.03422	0.9
57.07072	1.8
65.03944	1.6
66.04713	2.5
67.05505	6.7
68.99790	0.6
69.03429	1.7
69.07070	4.2
71.04989	7.6
71.59858	0.7
77.03900	0.5
78.04729	0.8
79.05051	0.9
79.05496	13.2
81.03411	0.7
81.07051	7.1
83.04979	1.5
83.08617	2.1
85.06536	4.8
89.03925	1.1
90.04724	2.5
91.05481	20.6
92.06252	1.7
93.03413	0.9
93.07044	11.3
94.04140	0.7
95.04968	10.1
95.08606	9.4
97.06533	8.2
98.97596	0.9
102.04677	6.6
103.05467	100.0
104.05807	1.1
105.03392	12.0
105.04494	1.1
105.07027	25.8
107.04953	9.3
107.08592	21.8
109.06520	7.4
109.10155	7.6
111.08071	2.8
114.33357	0.6
114.73684	0.6
115.05462	7.7
116.06215	1.6
116.98664	0.8
117.03342	1.1
117.07021	6.9
118.04163	26.9
119.04958	10.0
119.08578	8.0
120.05750	4.9
121.06494	3.9
121.10145	22.0
121.11019	1.2
123.04415	0.5
123.08056	6.5
123.11699	0.7
129.07005	1.9
130.04129	10.5
130.07780	0.9
131.04929	60.5
131.08565	12.6
132.05759	5.6
133.02847	20.2
133.06480	7.6
133.10121	15.6
135.04475	1.2
135.08054	17.4
135.09111	1.0
135.11676	4.3
137.05392	0.7
143.05441	0.8
143.08575	3.7
145.06520	3.4
145.10115	8.9
146.03629	6.7
146.05980	2.0
147.04401	3.2
147.08011	1.4
147.11684	9.0
148.05191	56.8
149.01213	1.2
149.05939	1.3
149.09610	5.2
149.13255	8.5
150.96954	0.8
152.04758	0.9
152.05949	2.1
158.10895	5.2
159.04405	0.9
159.06654	0.9
161.05936	1.5
162.06705	0.7
163.07541	76.3
163.11142	3.9
163.14822	1.5
164.07941	1.0
167.02293	0.7
168.07245	1.0
173.06000	7.1
173.09657	2.1
173.13254	19.5
175.02734	0.9
176.03267	1.1
176.04688	12.4
191.03352	1.9
191.07019	53.2
191.10602	4.3
191.14304	32.7
191.15756	0.5
191.17825	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03928	3.0
54.18256	0.9
55.01873	18.4
55.05490	3.0
56.96567	8.3
57.03416	3.2
57.07060	2.1
65.03918	2.2
67.05499	10.2
68.99772	1.4
69.03426	9.0
69.07071	5.0
69.85110	7.0
71.01331	1.4
71.04990	2.8
72.93764	3.1
79.05055	1.6
79.05488	24.6
81.03396	4.7
81.07058	8.9
83.01319	4.7
83.04959	5.2
85.02902	2.3
86.09667	1.2
89.03873	1.6
90.94793	2.6
91.05477	58.4
93.07043	18.8
95.04953	9.4
95.05936	1.1
95.08590	6.4
97.02857	2.8
97.06499	2.9
98.21464	1.1
98.97567	3.1
102.04657	1.6
103.05468	10.7
105.03384	1.8
105.04530	2.0
105.07030	31.2
107.04951	13.0
107.08591	38.4
109.02890	5.8
109.06519	10.3
109.07652	2.3
109.10131	2.8
110.07114	1.0
111.08074	1.9
115.05446	25.9
116.04984	2.4
116.06223	3.2
116.98604	3.9
117.07009	64.6
118.06551	8.9
119.04925	8.4
119.05730	1.0
119.06113	1.3
119.08575	18.6
121.06500	49.6
121.10143	9.8
123.08055	4.3
128.06229	2.2
129.06998	9.7
130.04124	2.4
130.07784	5.9
131.00143	1.5
131.04919	13.5
131.06856	5.5
131.08562	73.2
131.43106	1.1
131.97470	1.1
132.05714	2.1
133.06471	3.9
133.10124	10.2
134.99649	3.0
135.04430	6.2
135.08047	100.0
135.11693	5.2
136.06145	2.7
143.08495	3.1
144.09358	1.7
145.06493	93.7
145.07587	9.1
145.10114	41.5
146.05943	2.1
147.04411	30.1
147.08032	8.9
147.11656	4.8
148.05179	7.7
148.08650	1.7
149.01241	3.6
149.05986	33.9
149.09616	26.5
149.13213	3.5
149.96103	1.6
150.10210	1.1
150.96896	5.3
151.10968	1.0
155.06064	2.8
155.08502	4.5
158.07248	1.8
158.10930	2.5
159.04362	1.2
161.05904	1.6
161.09631	1.2
163.03906	6.5
163.07539	92.1
163.11206	9.2
163.14822	2.8
164.08195	1.0
167.02283	2.0
167.97165	2.5
173.05844	12.8
173.07329	8.0
173.09613	19.2
173.13269	12.1
174.05382	1.1
176.04692	7.1
177.00677	1.8
191.03378	3.1
191.06966	41.7
191.08243	25.1
191.10657	52.6
191.14293	34.3
192.06654	1.2
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	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.01851	4.2
55.05511	4.9
56.96560	9.8
57.03422	2.9
57.07068	2.9
60.73476	1.0
65.03931	1.8
66.04708	3.3
67.05506	10.7
69.03430	6.9
69.07069	5.1
69.26353	3.3
69.26762	7.9
70.06577	3.7
71.04979	2.6
72.93771	2.7
73.02903	2.1
77.03899	2.1
78.04701	1.1
79.05057	2.0
79.05489	26.4
81.03402	2.6
81.07046	9.2
82.33154	0.9
83.04980	7.0
83.08635	1.7
84.08135	3.0
85.02882	1.4
86.24121	1.0
90.04697	2.9
90.94845	1.1
91.05479	46.0
93.07044	20.2
95.04958	8.8
95.08605	9.0
97.02894	1.8
97.06528	2.3
98.21509	2.2
98.97560	2.7
99.04495	1.2
102.04042	1.9
102.04677	20.2
103.05468	69.5
105.03379	4.2
105.07030	37.9
107.04951	14.4
107.08593	26.3
108.05804	1.3
108.95926	1.1
109.06517	8.2
109.07635	2.0
109.10167	5.1
110.07188	1.3
111.07996	1.5
115.05460	10.1
116.06262	5.3
116.98604	2.5
117.07017	24.9
118.04159	50.1
119.01788	1.8
119.04987	9.4
119.08573	20.3
120.05719	4.2
121.06512	11.7
121.10127	14.0
122.07076	1.2
123.04404	1.2
123.08038	3.1
128.06207	1.4
129.06999	13.1
130.04150	38.3
130.07803	6.6
131.04927	59.6
131.06923	3.4
131.08563	100.0
131.97429	1.4
132.05766	2.5
132.95828	1.8
133.02867	11.6
133.06474	4.3
133.07503	1.1
133.10114	14.9
134.99660	2.0
135.04408	4.6
135.08037	15.1
135.11676	5.7
136.08708	1.5
137.09610	2.1
143.08521	4.5
145.06474	14.3
145.10123	56.1
146.03613	10.3
146.06018	2.0
146.07086	1.6
146.99628	1.2
147.04408	10.4
147.08040	11.9
147.11662	6.9
148.05197	30.2
148.08742	3.2
149.01268	6.8
149.05957	4.3
149.08403	1.4
149.09610	24.0
149.13223	7.3
149.96080	1.8
150.96877	5.4
153.07008	1.4
155.06020	1.3
155.08534	4.5
158.03638	3.3
158.07262	3.8
158.10915	4.5
159.04367	1.6
161.02357	1.3
161.06029	2.3
161.09598	2.2
163.03947	1.6
163.07533	44.4
163.11159	12.4
163.14810	2.8
164.08095	1.2
167.02286	3.4
167.97159	2.2
168.05092	1.0
173.05966	8.3
173.09616	27.5
173.13269	14.5
176.04694	48.0
177.00798	1.1
190.98856	1.1
191.03352	3.8
191.07018	66.7
191.10663	67.9
191.14311	41.0
191.17931	1.7
192.10873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	7-Ethoxycoumarin
Peak:m/z	Relative Intensity
55.01876	0.8
55.05510	1.0
56.05040	0.4
56.96562	4.7
57.03447	1.0
57.07069	0.7
61.02945	0.4
65.03966	0.7
67.05508	1.5
69.03426	1.8
69.04525	0.3
69.07078	1.1
70.06597	0.9
70.95871	0.6
71.04997	0.6
71.59144	0.5
72.93800	1.2
73.02928	1.3
79.05506	3.1
80.95541	0.4
81.03425	0.5
81.04544	0.4
81.07063	2.2
83.04983	1.0
83.08625	0.4
85.02920	1.2
85.06528	0.5
90.94801	1.8
91.05481	15.6
93.07017	2.2
95.04957	1.5
95.06081	0.5
95.08614	1.3
97.02905	1.9
97.06540	0.6
98.97581	1.6
102.04684	0.4
103.05492	2.5
105.07034	4.1
107.04932	1.8
107.08585	4.8
108.04502	0.3
108.95853	0.5
109.06509	0.9
109.07639	1.1
109.10159	1.7
110.07178	0.6
115.05450	0.9
116.98626	1.3
117.03349	0.5
117.07012	2.8
118.04153	0.8
118.06518	0.4
119.04944	32.0
119.08565	2.6
120.05359	0.4
120.08072	0.6
121.06496	2.0
121.10130	3.1
123.08099	0.6
128.98663	0.6
129.06987	1.4
130.07773	0.8
131.00163	0.7
131.01970	0.5
131.04915	4.2
131.08565	7.5
131.97450	1.0
132.04221	1.0
132.95850	1.5
133.06496	0.7
133.10135	4.8
134.07219	0.5
134.99663	1.2
135.04472	0.8
135.08037	3.2
135.11673	1.5
136.08693	0.5
137.05978	1.4
138.61516	0.4
143.08551	0.8
145.06476	2.5
145.07483	0.5
145.10129	5.9
146.02403	0.4
146.06017	1.3
146.07211	0.5
146.99675	1.2
147.04407	100.0
147.11684	1.4
148.04877	1.2
148.08699	0.9
149.01202	2.5
149.02315	0.4
149.05981	0.9
149.09589	2.1
149.13248	1.7
149.96089	1.4
149.98488	0.6
150.10289	0.4
150.96899	5.4
151.11067	0.5
152.04173	0.5
158.10927	1.0
158.18130	0.4
158.99670	0.6
159.04404	0.5
161.01218	0.4
161.09636	0.6
162.99109	0.4
163.03899	1.4
163.07564	3.2
163.11194	1.3
163.14832	0.8
164.08073	0.4
167.02266	1.7
167.97186	1.8
172.97749	0.5
173.05974	1.4
173.09561	2.0
173.13243	4.3
174.05458	0.5
176.04645	0.9
177.00653	0.7
189.00725	0.6
191.03546	2.0
191.07021	87.6
191.10603	5.6
191.12813	1.2
191.14313	9.2
192.07332	1.2
195.05077	0.8
209.98221	0.4
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
52.45222	1.0
53.03949	1.2
55.05508	8.1
57.07053	2.7
61.76783	1.2
62.40953	1.0
65.03954	2.1
67.05505	11.8
67.05834	1.7
69.07073	11.4
69.47794	5.0
69.48219	4.3
76.49848	1.1
79.05470	8.5
81.07052	32.0
83.08613	6.6
91.05475	21.6
93.07043	14.4
95.04976	1.2
95.08603	42.5
103.05467	1.6
105.07028	66.0
107.08591	18.3
107.57742	1.1
109.10143	11.9
115.00372	1.3
115.05416	1.3
117.07018	4.6
118.07854	1.3
119.08578	77.1
121.02866	2.5
121.10130	12.0
129.06941	1.5
130.07750	1.5
131.08586	6.7
133.06502	1.4
133.10127	82.5
135.79869	1.1
141.06927	1.3
143.08543	2.0
145.10118	10.3
146.10880	3.0
147.08113	1.6
147.11688	41.4
149.02359	10.3
156.09326	5.2
159.11632	2.9
160.12512	3.6
161.13252	18.9
171.11656	6.0
174.10468	1.8
174.14046	1.8
189.09138	3.8
189.12750	11.6
189.16382	100.0
190.16751	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
54.60357	0.2
56.05036	0.3
56.96557	2.0
57.03427	0.4
57.07064	0.3
57.21650	0.2
58.06598	0.5
60.04516	0.5
61.02921	0.3
67.05491	0.6
69.03432	0.6
69.81184	1.2
70.06599	0.8
71.04991	0.2
72.08147	0.2
73.02934	0.3
81.03407	0.2
84.04518	0.2
84.08144	2.3
84.96100	0.2
85.02904	0.8
85.06543	3.7
86.09709	0.4
87.10060	0.4
89.03905	1.6
90.32548	0.2
91.05497	0.3
93.98757	0.2
94.24083	0.2
95.04964	0.2
97.02899	0.4
98.97578	1.0
100.03948	0.2
102.09178	2.6
107.08630	0.2
110.97559	0.3
116.04982	3.7
116.05811	0.3
116.98618	0.8
119.01810	0.4
120.08079	0.2
120.58170	0.2
127.03981	0.2
128.98637	0.5
130.08626	0.2
134.05991	0.6
134.99651	0.9
136.94942	0.2
138.29346	0.2
144.04436	0.5
144.10217	2.3
144.13882	0.6
146.99666	0.7
148.09685	0.8
148.97397	0.4
149.01213	0.7
158.99658	0.4
162.05499	100.0
163.05840	1.5
165.00706	0.2
166.00288	0.4
167.02278	0.3
170.99655	0.2
177.00735	0.2
189.00728	0.4
190.04990	32.3
190.14456	0.2
191.05330	0.9
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
53.03931	1.7
55.05511	9.3
57.07062	1.6
67.05173	0.8
67.05508	11.3
69.03386	0.6
69.06711	0.9
69.07069	10.8
71.60041	1.0
79.05495	7.6
81.07056	28.0
82.07384	0.7
83.08617	5.3
84.08144	0.7
91.05479	19.4
93.07047	13.9
95.04964	1.6
95.08607	39.6
97.10160	1.4
103.05444	1.0
105.07030	56.6
107.08596	20.1
109.06509	0.7
109.09452	1.0
109.10152	10.9
115.05466	1.1
117.06988	3.2
119.08582	75.0
120.08937	0.8
121.09303	0.9
121.10139	12.1
123.11717	0.6
124.97590	0.8
128.06219	1.0
129.07005	0.8
131.08566	7.6
132.09367	0.7
133.06407	1.2
133.10127	74.2
134.11021	0.7
135.11703	1.7
143.08614	1.0
145.10118	9.4
146.10864	2.4
147.08025	1.2
147.11688	45.1
148.12207	1.1
156.09354	1.4
159.08086	0.6
159.11705	3.3
160.12494	3.4
161.09607	0.7
161.11961	1.1
161.13258	16.6
163.20584	0.6
171.11633	2.7
174.10356	1.0
174.14026	1.8
187.14870	0.9
189.05376	1.3
189.09155	2.4
189.12717	7.6
189.16385	100.0
190.16698	2.0
205.08684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.13630	1.5
54.00000	1.6
55.01870	2.5
55.05512	13.4
56.96560	4.3
57.07074	2.6
65.03937	1.8
67.05502	14.9
69.03407	2.4
69.07066	12.4
79.05491	13.9
81.07063	31.1
83.08617	6.2
89.24929	1.6
91.05483	36.9
93.07045	16.9
95.04958	4.4
95.08047	3.5
95.08610	42.7
98.20699	3.5
103.05427	2.4
105.07032	65.1
106.96538	3.0
107.04934	1.8
107.08595	20.5
109.06512	2.3
109.10161	11.9
115.05450	2.7
117.07026	10.3
119.08582	74.8
121.10142	14.4
124.09054	1.9
124.97589	3.1
128.06216	4.3
129.07001	10.9
131.08557	12.8
133.06500	3.6
133.10136	81.6
134.10455	2.2
134.99626	2.3
137.61345	2.0
141.06894	1.9
142.98647	4.2
143.08556	12.8
145.06499	1.8
145.10088	16.3
145.97571	1.7
146.10855	2.1
147.08051	7.3
147.11684	50.5
156.09410	8.2
157.06384	1.9
157.33282	2.0
159.08089	2.9
159.11691	3.6
161.05956	4.2
161.09673	8.7
161.13264	22.1
162.05438	1.8
171.05621	2.1
171.08015	3.3
171.11670	23.4
174.10417	4.3
174.13860	1.7
183.50021	1.9
189.05476	5.1
189.09084	8.9
189.12698	51.7
189.16386	100.0
190.12920	2.5
190.16721	3.0
202.72115	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01870	0.6
55.05505	3.8
56.96544	1.5
57.03417	0.5
57.07064	1.0
59.04991	1.3
65.03915	1.0
67.05510	3.2
69.03418	2.5
69.07070	2.9
70.78268	1.6
77.03905	0.7
79.05485	6.4
81.03397	0.8
81.07042	5.8
83.04973	1.2
91.05471	12.6
93.07042	4.2
95.04974	3.9
95.08604	3.6
97.06531	0.8
103.05475	0.7
105.03394	0.6
105.07026	24.7
106.96561	0.9
107.08599	5.4
109.06512	6.7
109.10162	1.0
115.05453	2.2
116.06243	1.0
116.98544	0.6
117.07029	5.3
119.04939	1.4
119.08577	35.9
121.06533	2.8
121.10134	2.4
123.08143	0.7
124.97563	1.1
125.47154	0.6
128.06210	4.3
129.07027	4.1
130.07790	3.5
131.08571	18.4
132.05687	0.7
132.09326	0.8
133.06497	2.8
133.10124	17.4
135.08109	1.1
138.05981	2.4
138.56096	0.8
141.07021	3.1
142.07747	2.4
142.98607	2.3
143.08556	9.9
144.09390	0.9
145.06485	2.6
145.10126	15.3
146.07260	1.9
146.10933	5.2
147.06767	0.8
147.08037	14.2
147.11681	36.6
148.11992	1.0
149.09528	0.9
149.56860	0.8
155.08612	0.8
156.08051	1.0
156.09338	19.4
157.08577	1.4
157.09785	0.6
157.58824	0.9
158.07344	0.6
159.08044	20.6
159.11662	2.1
160.05135	1.1
160.08803	2.5
160.99681	1.0
161.05956	1.3
161.09610	4.4
161.13255	7.4
165.08284	0.6
166.09125	6.9
166.59253	1.9
171.11687	17.3
173.09601	3.6
174.10396	26.8
175.09729	0.7
177.59932	2.0
189.05469	1.6
189.09221	5.0
189.12735	100.0
190.13054	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62955	0.8
55.05504	1.0
58.26472	0.8
67.05483	1.3
67.12458	0.8
69.01442	0.9
69.03422	5.4
71.05751	2.2
79.05479	2.4
79.49638	0.8
81.07032	1.1
81.67780	0.9
91.05476	8.1
92.02940	0.7
93.07017	1.4
95.04964	1.7
105.07018	13.7
107.08578	3.2
115.05450	1.8
116.06282	1.1
117.07011	5.5
119.08580	22.1
121.10153	1.9
128.06201	3.8
129.06993	3.6
130.07770	6.1
131.08568	7.1
133.06471	2.4
133.10136	6.1
141.06987	12.7
142.07745	1.1
143.08551	8.2
144.09322	3.3
145.06487	2.2
145.10107	20.1
146.10889	1.5
147.08044	7.2
147.11690	13.5
155.08556	3.3
156.09346	75.9
157.09709	1.8
159.08049	8.4
159.11685	19.0
160.08830	1.5
161.09573	1.9
161.13225	2.3
168.62277	0.9
171.11691	83.4
172.12050	2.8
174.10400	9.5
189.12743	100.0
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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05518	3.5
55.05734	0.8
56.96543	1.7
57.03437	0.7
57.07076	0.8
59.04992	1.1
67.05492	2.4
69.03429	3.9
69.07045	2.3
69.34547	0.8
69.34943	5.4
79.05482	5.3
81.07046	5.5
83.04959	2.4
85.02872	0.9
91.05476	20.1
93.07034	4.4
95.04967	5.6
95.08588	2.3
97.06505	1.0
103.05454	1.4
105.07028	25.7
107.04935	0.7
107.08586	4.6
109.06522	4.1
115.05446	2.3
116.06216	2.5
117.07018	4.8
119.04942	8.0
119.08576	44.4
120.08909	0.6
121.06491	2.0
121.10117	2.2
123.08066	0.9
128.06209	5.1
128.10870	0.6
129.06999	8.9
130.07767	2.4
131.04886	0.8
131.08562	23.5
132.05606	0.8
133.06497	9.4
133.09113	0.8
133.10120	14.4
134.07214	0.7
135.08034	2.2
141.06972	6.3
142.07738	1.7
143.04903	0.6
143.08553	11.4
144.09328	1.0
145.06464	6.6
145.09024	1.2
145.10117	15.9
146.07254	4.0
146.10852	1.9
147.08034	32.9
147.11678	21.0
148.08710	2.0
155.08549	1.3
156.09332	25.5
159.08046	11.4
159.11646	3.4
160.08839	6.5
161.05946	1.5
161.09602	9.6
161.13242	14.3
162.09886	0.7
171.11678	29.8
172.12027	0.9
173.09598	1.2
173.77097	0.5
174.10390	22.2
175.10773	0.6
178.53198	0.5
187.11082	0.6
189.09232	4.7
189.12729	100.0
190.04967	5.8
190.13144	3.0
194.02222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48179	1.2
51.81194	1.2
53.03946	1.4
55.01846	1.2
55.05509	4.3
56.05047	1.2
56.96563	7.7
57.03430	1.6
65.03946	1.7
67.05499	3.4
69.03445	8.1
69.07064	3.6
69.35977	1.1
70.06581	3.0
71.59559	1.5
71.78411	1.2
79.05479	4.6
81.07047	5.3
82.89473	1.1
83.04985	1.4
84.87039	1.0
85.02905	8.0
86.09698	12.0
87.00872	1.4
91.05482	20.5
93.07037	5.1
95.04967	4.1
95.08595	5.8
97.06542	1.6
98.97614	2.0
103.05451	2.7
105.04529	1.3
105.07032	31.9
107.04937	3.2
107.08595	6.9
109.06513	2.1
109.07601	2.5
115.05445	4.3
116.04973	2.2
116.98689	2.3
117.07043	8.2
119.04950	3.7
119.08579	41.7
120.08110	2.3
121.06512	2.6
121.10109	2.2
128.06223	14.6
129.07001	17.2
130.06462	1.5
130.07779	5.4
131.04900	2.2
131.08601	14.0
132.10194	2.5
133.06532	7.4
133.10135	17.9
134.99663	4.3
135.08078	2.7
141.06976	9.4
142.07776	2.5
143.08571	17.1
143.11797	1.7
144.09227	1.8
145.06480	3.5
145.10130	23.2
146.06026	1.7
146.07219	3.1
146.10872	2.6
147.04388	2.6
147.08061	17.1
147.10628	2.2
147.11696	24.9
148.08699	3.0
149.09537	1.5
153.00639	1.7
155.06364	1.6
155.08539	3.4
156.09348	52.7
157.06523	5.6
157.09656	1.7
159.08075	7.4
159.11676	13.0
160.05179	1.5
160.08798	3.2
161.05980	9.6
161.09610	18.6
161.13242	10.9
162.10170	1.9
171.05519	1.6
171.11691	66.5
172.03917	2.1
172.11981	1.8
174.06763	10.1
174.10423	11.3
189.05367	3.0
189.09132	30.2
189.12746	100.0
189.16350	8.2
190.04939	1.7
190.13177	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36564	1.0
55.05484	3.4
56.80586	1.2
59.05000	1.8
67.05473	2.7
69.03433	7.3
70.91582	2.1
70.91992	2.2
72.29199	1.1
79.05486	4.6
81.07032	2.9
85.02899	1.3
87.03739	1.0
91.04887	1.5
91.05471	26.0
93.07018	2.0
95.04967	1.9
103.05495	1.9
105.07030	23.5
107.04941	1.5
107.08570	3.5
107.43568	1.2
109.06486	2.5
115.05440	3.7
116.06196	3.4
117.06994	7.8
119.04904	3.1
119.08572	41.5
121.06494	2.1
121.10155	1.7
128.06201	5.1
129.06987	9.7
130.07761	3.9
131.08559	35.6
133.06497	3.5
133.10123	12.1
134.53957	1.0
135.08052	2.2
141.06978	10.5
143.08534	11.7
144.09329	1.9
145.06454	3.0
145.10135	14.9
146.07262	2.3
146.10890	1.4
147.06917	2.1
147.08035	28.5
147.11685	22.3
155.08545	1.7
156.09341	46.0
159.08061	12.4
159.11684	9.1
160.08794	3.8
161.09598	9.7
161.13239	9.9
171.11684	57.8
172.12053	2.3
173.09607	1.2
174.06757	2.0
174.10396	19.2
189.09157	9.2
189.12730	100.0
189.16360	4.1
190.13068	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03933	1.6
55.01867	6.2
55.05489	2.4
56.96563	4.0
57.03426	2.0
60.04475	0.6
65.03922	1.2
67.05489	2.2
68.05038	0.7
69.03429	4.3
69.07050	2.0
70.06577	0.9
71.04983	0.7
77.03916	0.7
79.05489	7.6
81.03403	2.3
81.07050	1.8
83.04971	1.3
85.02895	2.4
86.00655	0.8
91.05477	26.4
93.07038	3.6
95.04954	3.0
95.08591	0.7
97.02880	1.5
98.97569	1.5
100.85168	0.7
103.05466	5.5
104.06229	1.4
104.97430	0.8
105.03388	3.7
105.07027	75.4
106.07352	0.9
107.04959	6.6
107.08601	1.1
109.02885	1.1
109.06452	1.1
109.07639	1.6
115.05453	17.0
115.63647	0.6
116.06236	2.6
116.98631	1.9
117.07030	13.0
118.07835	0.8
119.04945	7.4
119.08575	17.4
121.02867	0.6
121.06487	6.8
121.07303	0.9
123.04433	3.9
127.05408	1.3
128.06218	100.0
129.07036	13.8
130.07765	1.4
131.04959	4.0
131.08566	32.3
132.05727	3.5
133.06497	10.6
133.10126	20.0
134.99634	1.9
135.04419	1.4
141.06992	21.2
142.07738	2.5
143.08553	98.5
144.05687	12.5
144.08894	1.7
145.06477	16.6
145.07620	1.1
145.10135	3.2
146.07274	11.5
147.04411	1.6
147.08047	8.1
147.11684	1.7
148.08705	1.0
149.05937	0.9
149.09451	0.9
152.06178	2.7
153.06958	2.7
155.04794	1.3
155.06029	5.1
156.09332	2.4
157.06490	2.9
158.07272	11.4
159.08049	35.3
160.05191	2.8
160.08842	6.3
161.05988	6.9
161.09615	59.7
161.13229	2.0
162.10023	1.6
165.04335	1.0
169.06436	1.5
169.07693	4.0
171.08037	56.8
171.11697	2.4
172.08395	1.6
174.06767	21.4
174.10371	1.3
177.00687	0.7
179.03384	0.8
189.05533	3.4
189.09105	57.5
189.12636	6.5
190.09409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.03467	0.3
63.85163	0.3
69.91219	1.6
73.94943	0.3
74.09001	0.4
75.32149	0.3
77.86645	0.3
80.53057	0.3
84.04507	0.9
91.05490	3.4
93.30601	0.4
115.05452	4.8
116.98627	0.3
117.05753	1.3
117.07011	3.7
118.06544	59.8
119.06919	0.9
120.39436	0.3
132.08113	0.6
142.06529	5.6
143.07306	10.3
144.04440	0.4
144.08087	23.3
145.06491	0.9
145.08415	0.5
146.06009	100.0
147.06340	1.8
155.06050	0.5
160.07584	1.0
170.06021	9.1
188.07065	19.0
189.07425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78016	0.4
56.96560	0.9
66.37327	0.4
70.85713	1.0
70.86072	0.7
84.04510	1.6
85.02909	0.7
91.05477	4.0
98.97593	0.6
103.05482	0.5
105.02683	0.4
115.05457	5.6
117.05748	1.6
117.07013	5.3
118.06541	70.2
119.06870	1.5
128.04959	0.4
132.08061	0.5
142.06502	6.4
143.07301	11.9
144.04465	1.2
144.08081	22.0
145.06465	1.1
145.08377	0.6
146.06003	100.0
147.06413	2.2
152.07121	0.4
155.06029	0.6
160.07588	1.1
170.06012	9.0
188.07053	18.7
189.07382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.33376	0.4
51.02374	0.7
53.03937	1.1
55.05511	4.0
56.96569	2.9
57.07073	2.4
65.03944	0.6
67.05511	5.6
69.03425	1.7
69.07059	3.8
69.41434	4.7
70.66291	0.6
71.04978	0.6
79.05487	7.5
81.03400	2.4
81.07054	16.7
83.08633	1.4
84.04505	1.4
85.02889	1.4
86.03229	0.7
87.44833	0.5
88.02207	3.3
91.05478	13.8
93.07034	16.5
95.04963	1.5
95.08604	10.1
97.02866	0.7
103.05457	0.7
104.99281	0.8
105.07026	24.4
106.07388	0.6
107.08589	10.8
109.10128	0.8
112.26232	0.6
112.99973	0.6
114.05518	0.8
115.05476	2.3
116.06225	1.9
117.07011	16.7
119.08575	15.3
121.10123	1.3
126.05471	0.5
128.04909	1.0
128.06194	1.1
129.07013	4.5
130.07777	6.5
131.04935	1.3
131.08560	59.3
132.09303	1.8
133.10164	4.1
134.98114	0.5
135.05637	0.7
137.98369	0.5
139.01762	0.5
142.07785	0.9
143.08553	6.4
144.09332	2.9
145.10114	73.7
146.10591	1.6
146.91858	0.8
157.10121	4.3
158.10896	2.8
159.08049	1.3
159.11681	35.6
160.12042	0.8
164.92931	0.7
169.06378	0.5
169.10027	1.2
170.08034	0.6
172.08842	1.5
172.12463	4.0
175.08788	1.2
182.93835	0.7
184.09311	0.5
185.13254	1.9
187.03885	3.3
187.07568	1.1
187.11295	5.8
187.14809	100.0
188.15121	2.9
196.82329	0.5
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
53.03930	1.9
55.05482	2.0
56.96565	9.4
57.07059	4.0
60.04521	0.9
67.05503	5.1
69.03439	2.2
69.07057	1.5
71.04965	1.2
71.08617	1.0
71.19820	2.3
79.05486	4.4
81.03405	3.3
81.07048	4.6
83.08618	1.7
84.04510	1.8
85.02907	1.9
88.02194	7.2
91.05471	7.9
93.07028	1.5
94.43485	0.9
95.04934	1.6
95.08596	2.8
104.90826	1.5
105.03394	2.4
105.07018	13.3
107.08588	3.4
109.02902	1.4
109.10160	1.5
115.05442	2.3
117.07022	8.1
119.08571	8.8
128.06216	3.3
129.07011	6.1
130.07759	5.6
131.04892	1.1
131.08583	12.5
133.10158	1.9
136.22874	0.9
137.98384	1.1
141.06956	1.9
142.07730	1.6
143.08565	10.7
144.09363	4.6
145.10123	100.0
146.10425	2.6
154.07785	3.4
157.10139	9.3
158.07336	1.3
158.10876	3.9
159.06944	1.5
159.08069	3.4
159.11694	19.4
169.10161	5.5
172.08842	8.6
172.12465	10.0
182.03209	1.1
187.03839	2.7
187.07553	3.2
187.11186	21.7
187.14816	53.9
187.22560	1.5
188.09163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05503	2.2
56.96565	6.1
57.03447	0.7
57.07083	2.7
66.34554	0.5
67.05508	3.7
69.03415	1.8
69.07059	2.3
69.99577	2.8
79.05495	5.6
81.03407	2.5
81.07053	6.9
83.08630	1.4
84.04498	1.3
85.02900	2.0
86.03230	0.6
86.06052	1.0
86.76460	0.5
88.02219	2.6
91.05479	10.5
93.07043	6.6
95.04979	1.0
95.08601	5.0
97.02878	0.6
98.06016	0.6
98.21413	0.6
103.05463	1.1
104.90804	1.0
105.07032	13.6
107.08585	4.9
109.02910	0.7
109.10147	1.0
113.00023	0.6
114.05515	0.8
115.05407	1.0
116.06249	1.8
117.07015	11.4
119.08578	20.1
121.10127	0.7
126.05285	0.7
127.05898	1.2
128.06163	1.2
129.07005	4.8
130.07800	6.1
131.04924	0.8
131.08568	33.5
132.09276	0.8
133.06451	0.5
133.10132	2.8
137.98433	0.6
141.07211	0.6
143.08548	9.3
144.09340	4.7
145.10120	100.0
146.10451	2.6
146.22034	0.5
146.91844	0.7
147.03299	0.9
157.10127	11.2
158.10881	5.6
159.08063	1.9
159.11691	18.8
164.92859	0.8
169.10098	1.1
171.11732	0.7
172.12460	9.7
175.08867	1.1
185.13321	1.4
187.03922	1.1
187.07538	3.6
187.11333	4.6
187.14822	94.0
188.09262	1.1
188.15160	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.30891	0.6
54.78024	0.7
55.01883	0.7
55.05512	1.7
56.96568	4.7
57.07075	1.8
66.05943	0.6
67.05492	1.8
69.03426	2.4
69.86878	3.6
70.06608	0.7
77.98897	0.6
79.05477	1.6
81.03416	4.1
81.07066	4.1
83.08619	1.6
84.04488	1.6
84.70226	0.7
85.02908	1.2
88.02201	4.4
89.95371	0.7
91.05470	4.9
93.07032	1.0
95.04996	0.9
103.05467	0.7
104.90801	1.2
104.99251	1.2
105.07023	8.4
107.08567	0.8
109.02874	1.7
115.05437	1.9
116.06205	0.8
117.07011	6.9
119.08578	7.9
128.06216	1.1
128.07074	1.1
129.03915	0.6
129.07007	2.6
130.07780	6.7
131.04893	0.7
131.08582	6.6
133.10132	1.4
138.65610	0.7
139.01872	0.9
141.06966	1.7
142.07796	1.2
143.08566	8.3
144.05719	0.9
144.09331	3.2
145.10120	100.0
146.10449	2.9
146.91876	0.8
154.07675	0.7
157.10115	6.8
158.10909	4.6
159.08105	2.0
159.11685	11.1
164.92953	1.2
169.08737	0.7
169.10147	1.9
172.08757	1.4
172.12503	5.9
182.03278	1.1
185.13187	0.8
187.03876	2.2
187.07538	3.0
187.11241	7.5
187.14818	59.4
187.22516	1.3
188.07309	0.7
188.09195	1.5
188.15163	1.8
191.24132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1537
Annotation	Chokol G
Peak:m/z	Relative Intensity
55.01870	12.2
55.05505	15.6
56.96563	5.7
57.03435	34.1
57.07083	3.2
60.95838	2.5
67.05502	29.9
69.03426	4.4
69.07065	13.3
70.06140	7.3
70.06431	1.6
71.05001	10.3
73.06569	2.1
79.05492	21.9
81.07053	32.9
83.04989	1.9
83.08611	11.7
84.04487	2.5
85.02897	4.6
85.06543	36.9
88.07619	2.8
91.05488	5.1
93.07047	42.5
95.04987	2.6
95.08604	87.1
96.08911	1.8
97.06530	100.0
97.10194	2.9
98.06865	1.4
98.97585	1.9
102.36375	1.3
102.96885	6.4
105.07059	2.6
107.08595	33.3
109.10152	11.5
111.08090	7.7
113.09670	1.8
114.05548	5.6
116.98635	1.9
120.97932	9.6
121.00806	2.6
121.10147	18.4
123.11709	14.8
125.09657	2.3
126.05540	3.6
128.06247	2.6
129.07005	4.0
138.98936	13.3
139.01828	5.7
141.07045	1.5
142.07809	6.0
143.08582	4.8
149.13255	67.5
150.02870	1.3
150.13631	2.0
156.09329	3.0
156.99995	4.8
157.10156	7.7
163.01817	4.9
167.14307	15.3
170.10902	4.4
181.02878	8.7
185.07172	3.5
185.09549	5.5
185.13243	9.9
185.15385	4.9
186.07544	2.3
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
53.03938	0.6
55.01867	0.8
55.05507	1.7
57.07072	5.3
59.13868	0.6
65.03941	0.6
66.61697	0.5
67.05502	9.9
69.03426	1.6
69.07069	3.6
79.05495	8.7
80.63610	0.5
81.03423	2.4
81.07058	5.6
83.04964	0.5
83.08607	1.8
84.04501	1.0
85.02914	0.8
85.45229	0.6
88.02219	2.2
91.05479	21.8
93.07040	5.9
95.04969	2.7
95.08614	3.9
103.05464	1.9
105.07032	24.0
107.08581	3.7
109.02834	0.5
113.00080	0.7
115.05406	3.4
116.06228	1.9
117.07015	22.7
118.07328	0.6
119.08578	18.5
121.10123	3.5
128.06227	1.8
129.07004	7.6
130.07788	6.3
131.08568	59.9
132.08977	0.7
133.10139	4.9
141.07025	1.5
142.07759	3.1
143.08556	6.7
144.09340	6.5
145.06502	2.0
145.10120	100.0
146.10426	2.8
154.07777	2.2
157.10144	6.2
158.07227	1.1
158.10938	2.2
159.06882	0.7
159.08066	1.9
159.11688	23.4
160.11989	0.8
169.10112	2.3
170.10963	0.6
172.08824	2.2
172.12437	2.0
185.13257	1.1
187.03908	1.2
187.11238	10.6
187.14818	89.2
188.15233	2.4
191.10864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1536
Annotation	Speciosin I
Peak:m/z	Relative Intensity
53.03945	2.5
55.01865	10.6
55.05507	21.0
56.05031	2.1
56.71291	1.5
56.96563	12.4
57.03434	29.7
57.07066	4.9
59.05008	2.9
60.95846	4.6
65.03942	1.8
67.05502	45.0
67.05865	2.4
68.05032	1.9
69.03426	8.1
69.07064	17.4
69.64391	13.1
71.04984	14.2
73.02878	2.0
79.05495	16.6
81.03420	2.2
81.07055	36.7
83.04984	4.8
83.08607	15.6
84.04485	4.2
85.02904	16.9
85.06541	35.5
91.05460	7.1
93.07037	50.5
95.04971	6.2
95.08603	86.4
96.08934	2.1
97.02897	3.8
97.06527	100.0
97.10146	3.7
98.06054	2.5
98.97596	3.2
99.04441	1.8
99.08098	1.8
101.06105	1.6
102.96854	9.2
105.07024	5.0
107.04876	1.7
107.08592	43.6
107.09301	3.8
107.16658	1.6
109.06483	2.7
109.10149	10.3
111.04539	1.7
111.08065	8.3
113.04677	1.9
113.09698	2.1
114.05534	19.2
116.98575	4.1
119.01913	6.4
120.01955	2.2
120.97900	18.5
121.00810	3.4
121.01644	2.6
121.06468	2.0
121.10146	20.8
123.11723	11.1
125.02338	3.2
125.09681	2.3
126.05499	14.0
127.03859	1.8
128.06194	4.9
129.07022	11.2
134.99651	6.6
137.02956	2.7
137.13260	2.3
138.98926	28.6
139.01817	16.0
139.11153	2.5
140.07098	5.2
141.06952	4.2
142.07776	13.9
143.01889	1.9
143.08502	9.8
145.03528	2.5
149.13249	62.7
153.00710	2.0
155.08562	6.0
156.09372	4.0
157.00046	12.1
157.06509	2.4
157.10124	13.0
161.02953	2.3
162.00500	2.6
162.03305	2.1
163.01801	12.5
167.14313	16.7
170.10918	10.6
180.05315	1.8
181.02858	26.2
185.02820	2.7
185.05882	3.0
185.09476	11.4
185.13264	24.2
185.15312	6.0
186.03479	2.4
186.07616	7.1
186.18517	2.3
201.09744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05039	1.2
58.06601	1.1
58.44056	0.4
59.80671	0.4
60.08164	19.1
69.59716	1.5
69.60137	2.1
69.79128	0.5
70.06588	0.5
71.07372	11.9
71.67806	0.5
73.00753	0.5
86.09705	100.0
87.10033	1.7
97.57341	0.5
98.20760	1.1
98.98464	18.6
101.95026	1.9
104.10757	4.9
116.99542	0.7
119.96069	1.3
120.97900	1.5
125.00002	83.9
137.97095	1.8
138.98982	1.5
143.01064	2.0
155.98198	0.7
157.00015	1.1
160.98723	0.8
166.02684	0.9
184.07343	97.9
185.07678	1.6
185.09230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60133	24.5
71.51358	56.2
73.22102	25.8
101.83041	23.3
119.01931	78.8
120.02013	100.0
137.02969	32.0
138.03023	62.7
143.03709	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01868	0.3
55.05506	2.2
56.05033	1.9
56.96562	2.0
57.03459	0.5
57.04573	0.9
57.07087	0.9
58.06610	0.8
59.06134	0.9
60.04537	0.7
61.02911	0.3
67.05520	1.2
68.05036	1.3
69.03426	0.5
69.04543	0.3
69.07064	2.5
70.06607	1.4
70.30772	1.5
71.04987	0.5
72.04508	0.4
72.08160	2.6
72.93768	0.4
73.02940	0.5
74.02454	0.7
79.05479	1.5
80.05032	1.2
81.03443	0.4
81.07069	2.3
82.06597	1.2
83.04998	0.5
83.06102	4.1
83.19397	0.3
84.04510	1.8
84.08164	1.3
85.02905	6.1
86.09709	6.2
93.07030	2.7
94.06577	1.0
95.04990	0.5
95.07363	0.5
95.08604	6.8
96.04503	0.4
96.08128	4.4
97.02888	0.3
97.06554	0.5
97.07681	1.5
97.10164	0.7
98.06017	0.5
98.09702	4.7
98.97582	0.7
99.05583	0.4
105.07046	2.0
107.07330	0.5
109.07641	1.0
110.06081	0.4
110.09679	19.2
111.04420	0.5
111.09211	0.6
112.07578	0.5
112.11243	8.5
114.04719	0.4
114.05534	8.1
114.06689	0.3
116.98617	1.3
119.01903	1.1
120.02065	0.7
120.97903	0.7
121.00800	0.9
121.01657	0.6
121.07658	0.4
122.09665	11.3
124.07580	0.3
125.07123	0.6
126.05525	4.5
127.03854	0.4
127.08698	0.8
129.07097	0.4
134.99686	1.2
136.16020	0.3
137.02959	0.5
138.03122	0.4
138.98930	0.6
139.01813	1.6
139.12300	100.0
140.07022	0.7
140.10710	0.7
140.12627	1.2
143.03609	0.4
144.03165	0.5
151.03879	0.6
153.00870	0.3
160.04475	0.3
162.99115	0.5
163.01817	1.4
168.10144	1.2
168.11343	1.2
180.15106	0.3
181.02885	4.5
185.12839	26.0
186.07657	1.8
186.11298	0.4
186.13055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.4
62.51266	0.3
63.20507	0.3
69.45347	0.3
70.78003	1.1
78.52122	0.3
79.28856	0.3
82.99841	0.9
100.02466	0.3
100.49009	0.3
101.00871	14.4
102.00923	0.6
116.05598	0.3
119.01916	100.0
120.01991	4.1
121.16633	0.3
124.02446	0.6
136.04611	0.4
137.02951	39.3
138.03053	1.8
139.03401	0.5
142.03496	19.2
143.03627	1.5
160.04570	7.8
161.02959	6.9
161.04607	1.6
162.03094	0.6
162.04347	0.6
165.05034	0.4
179.04004	11.6
179.05518	0.8
180.04210	0.4
184.04599	0.7
202.05629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.88198	0.4
55.05501	0.5
56.05036	1.0
56.96556	1.3
58.06591	0.5
59.07379	0.5
60.08165	20.7
60.95116	0.4
60.95843	1.1
62.38384	0.4
69.07070	0.5
69.31405	2.8
69.31831	1.7
71.07375	11.6
71.95263	1.2
75.24842	0.4
79.05516	0.5
86.09705	100.0
87.10036	1.5
98.20707	0.8
98.98466	18.4
101.95032	10.3
101.95704	0.7
102.96839	2.2
104.10728	4.2
105.03371	0.4
114.34186	0.4
119.01913	0.6
119.96063	6.9
119.98182	0.7
120.97906	2.6
124.04725	0.4
124.07450	0.4
125.00003	82.6
129.06950	0.8
137.97108	13.1
137.99304	0.8
138.98935	6.8
143.01035	1.8
155.98151	9.0
156.99997	1.5
160.98714	3.1
162.00584	1.2
166.02527	0.8
166.08632	0.6
178.99747	2.1
184.07344	97.8
185.07774	2.0
185.09187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.11044	0.3
56.05032	1.4
56.96567	0.4
58.06604	0.8
59.07377	0.4
60.08163	18.0
60.95862	0.7
70.06596	0.4
71.07373	10.2
71.43661	0.4
71.44004	0.5
71.95254	0.6
80.97433	0.4
81.07049	0.3
86.09705	100.0
87.10013	1.6
93.31603	0.3
94.36967	0.3
95.04967	0.3
96.05320	0.3
98.98464	17.6
101.95026	5.3
102.96874	1.0
104.10743	5.0
116.99529	0.4
119.01968	0.3
119.96062	4.1
119.96831	0.4
120.97880	1.4
122.58464	0.3
125.00005	77.9
126.00340	0.7
137.97095	5.5
138.98947	3.0
141.05147	0.4
143.01053	1.6
155.98177	3.1
157.00015	0.8
160.98724	1.2
162.00529	0.7
166.02596	0.9
178.21289	0.4
178.99786	0.8
184.07343	89.0
185.07689	1.3
185.09233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25667	0.8
53.03947	5.8
55.01865	11.3
55.05505	12.4
56.05024	3.4
56.96562	4.3
57.03438	1.6
57.07077	2.4
58.06590	1.1
59.04984	1.6
59.06118	10.7
64.52856	0.9
65.03926	1.8
67.05501	16.0
68.05014	1.7
69.03422	8.7
69.07066	5.4
70.06583	3.0
71.04993	11.5
71.60216	1.4
72.08147	1.9
77.03926	1.1
79.05492	18.3
80.05048	1.2
81.03407	2.4
81.04535	1.1
81.07048	19.7
82.06580	2.3
82.50543	0.9
83.04978	11.0
83.06093	3.7
83.08598	2.0
84.04489	2.5
85.02891	3.0
85.06535	23.0
85.07645	2.2
86.08442	1.7
86.09770	1.1
87.04446	1.2
87.35600	1.0
91.05482	9.5
93.07040	8.5
95.04966	41.3
95.06073	2.7
95.08599	16.2
96.08096	1.0
97.02886	1.4
97.06509	5.2
97.07661	5.9
98.06078	1.6
98.07261	1.6
98.97554	2.3
98.98459	7.8
99.04449	10.4
99.05585	3.6
99.08125	2.4
99.09220	1.2
101.00889	1.4
104.10739	1.4
105.03394	11.4
105.04472	1.8
105.07027	12.4
107.04950	1.1
107.06084	1.0
107.08585	28.1
107.09291	2.0
109.02905	1.8
109.06506	6.7
109.07639	4.9
109.10147	5.8
110.06015	1.4
111.04388	1.1
111.08081	4.9
112.08729	1.8
113.06005	1.4
113.09670	2.5
116.98631	3.3
118.03603	1.0
119.01910	8.3
119.08577	12.9
121.10118	5.3
122.03661	1.4
122.07095	1.7
123.04416	27.1
123.05505	1.4
123.08071	14.7
123.11704	4.5
124.05031	1.5
124.08723	7.0
125.02330	1.7
125.05997	2.8
125.07116	9.7
125.09624	100.0
126.10075	1.1
127.01546	1.0
127.07592	1.2
128.98595	2.2
131.08572	0.9
133.02898	1.4
134.01276	1.3
134.99686	5.2
135.11664	1.7
136.08777	1.2
136.99246	2.7
137.00201	1.2
137.02968	3.8
137.05989	4.6
137.09589	7.4
138.06546	1.4
140.04663	9.3
140.08180	2.7
141.05522	1.2
141.06900	1.5
141.61337	1.0
142.03481	4.3
143.53583	1.0
146.99651	6.1
147.07979	1.8
147.11667	8.9
148.08681	1.1
153.06998	2.6
155.07042	5.5
155.08546	8.0
160.04544	6.2
161.02937	1.2
161.04749	0.9
165.05470	1.6
165.07701	0.9
165.09128	4.2
165.11531	1.2
165.12738	5.5
166.06186	1.2
166.09743	3.3
168.09366	3.3
169.24593	1.0
178.05634	2.7
183.06784	5.9
183.09145	1.8
183.10223	2.6
183.11794	4.3
183.13724	4.4
184.07423	1.2
184.09445	1.3
184.13322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01868	14.6
55.05510	12.1
56.05024	3.8
56.96569	6.7
57.03439	2.0
57.07068	2.3
59.04993	1.1
59.06118	7.3
65.03925	1.3
67.05502	13.4
69.03436	7.6
69.07055	4.8
69.56306	7.8
70.06591	2.2
71.01362	1.3
71.04998	12.4
71.95255	0.9
72.08162	1.4
72.66045	0.9
73.02911	1.3
79.05492	14.4
81.03414	3.3
81.04541	1.7
81.07059	21.9
82.06583	1.8
83.01320	0.9
83.04980	9.0
83.06094	3.3
83.08623	2.0
84.04509	1.3
85.02927	2.2
85.06059	1.7
85.06543	22.8
85.07661	2.0
86.08443	1.7
87.04491	1.2
91.05476	9.2
93.07049	8.0
95.04353	1.7
95.04967	33.8
95.06082	1.2
95.08608	18.2
97.02907	1.3
97.06529	3.9
97.07632	3.5
98.06075	1.1
98.07166	1.7
98.97585	2.4
98.98463	8.0
99.04453	9.7
99.05566	2.0
99.08099	2.1
100.97178	0.9
101.00867	1.1
101.07144	1.1
103.52547	1.0
105.03396	11.0
105.04493	1.7
105.07032	13.4
107.08595	28.0
109.02867	1.9
109.06510	5.9
109.07669	4.3
109.10173	5.0
111.04456	2.4
111.08080	2.9
112.08723	1.5
113.06005	1.6
113.09658	2.9
115.05424	1.0
116.98604	4.0
117.54035	0.8
118.99007	1.0
119.01923	9.6
119.08578	15.2
121.10115	6.6
122.03631	1.2
122.07157	1.6
123.04433	23.1
123.08072	9.7
123.11713	3.9
124.05013	0.9
124.08704	6.4
124.64899	0.9
125.02383	1.0
125.05986	1.7
125.07114	7.8
125.09628	100.0
126.09988	2.0
127.01561	1.2
127.07581	1.6
128.98619	2.2
129.07018	1.1
133.02875	2.0
134.99689	5.3
135.11703	1.5
136.04666	0.9
136.99232	2.3
137.00159	1.2
137.02939	3.9
137.06007	3.6
137.09666	5.7
138.05568	1.2
138.06567	2.1
138.10277	1.1
140.04678	9.2
140.08182	2.4
141.06931	2.0
142.03520	2.6
142.07704	0.9
143.01830	1.3
146.99661	6.3
147.08029	1.6
147.11671	8.1
148.08662	1.7
151.07515	1.3
153.00732	1.1
153.07005	2.7
155.07120	5.6
155.08409	5.5
158.01308	0.9
160.04538	4.8
161.02946	2.2
165.05463	1.0
165.09093	4.9
165.11510	0.8
165.12717	4.7
166.06177	1.1
166.09761	3.5
168.04131	0.9
168.09352	3.0
178.05626	1.7
182.98438	0.8
183.06487	3.8
183.09024	2.3
183.10239	3.2
183.11855	5.6
183.13849	4.5
184.09659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
58.06615	0.3
59.06118	0.4
68.60239	0.3
69.96638	1.5
82.99853	1.2
83.06120	1.9
85.23255	0.2
88.63663	0.3
89.89243	0.3
98.21439	0.4
100.02473	1.5
101.00872	15.1
102.07936	0.3
118.03515	7.1
119.01916	100.0
120.02008	1.0
121.02360	0.6
123.04479	0.4
124.02419	2.4
136.04549	6.3
137.02953	39.4
138.03064	0.3
141.05054	0.9
142.03493	38.2
143.03670	0.7
144.95268	0.3
158.06604	0.5
159.06143	1.7
160.04550	45.7
161.02948	3.8
161.04581	1.4
165.05067	0.7
176.05452	0.3
177.00917	0.9
178.05605	16.9
179.04002	6.2
179.05527	0.6
183.06168	3.5
184.04602	0.5
201.07167	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
53.13845	1.1
55.01868	16.2
56.96563	13.0
57.03435	41.0
57.26708	1.0
58.99865	2.3
59.05018	1.0
60.08159	4.5
61.02924	26.4
67.05491	1.4
69.03426	39.2
70.06602	1.2
71.01359	2.5
71.04983	3.6
71.59809	1.6
72.08165	1.6
73.02917	72.8
74.03255	1.3
77.00903	3.8
80.02924	1.1
81.01908	2.0
81.03419	15.1
82.02670	1.1
82.99876	2.9
83.01304	1.1
84.04528	2.0
84.96031	1.4
85.02902	52.9
85.30723	1.0
86.09686	7.0
86.99313	1.4
87.01897	1.8
87.04477	1.3
88.02687	5.9
89.00825	2.4
90.02435	1.7
91.03972	2.0
91.05489	2.3
92.01328	1.3
92.05823	2.5
93.01900	5.5
94.02652	6.6
95.01958	1.4
95.04974	10.8
96.02421	7.0
96.05303	1.2
96.52530	1.1
97.02884	43.7
98.01321	3.1
98.03223	2.1
98.97579	9.7
98.98470	3.4
99.04451	9.7
100.02641	4.4
100.52779	1.1
101.00869	24.3
101.01561	1.2
101.02369	2.3
101.03450	1.9
101.53492	1.0
102.00974	1.3
102.02398	17.6
102.05395	0.9
102.52514	2.8
103.02505	2.4
103.03193	3.8
103.03899	2.0
104.10036	1.8
104.10738	35.5
105.00372	2.6
105.02863	1.3
105.03472	1.4
106.02674	2.8
107.01758	1.5
108.02435	7.0
108.52472	1.9
109.02982	7.7
109.53268	1.3
110.01278	2.3
110.02107	1.1
111.02927	15.8
111.52990	3.4
112.02655	1.3
113.00828	5.6
113.02377	1.4
114.02405	6.3
114.52430	1.0
115.02416	5.7
115.03186	5.3
115.03919	2.3
116.98621	6.4
116.99332	1.1
117.02934	4.2
118.03554	1.7
119.01913	100.0
120.01948	7.7
120.03356	5.1
120.05312	4.0
121.01639	3.0
121.03226	2.9
122.53710	1.8
123.01421	1.2
123.02931	13.6
123.04370	6.7
124.02744	0.9
124.03745	2.2
124.04780	4.0
124.95760	1.4
125.00007	6.0
126.03461	2.1
127.02423	3.6
127.03909	14.4
128.02307	8.2
128.98621	3.7
129.02925	8.0
129.03929	2.3
130.03682	2.4
130.53746	1.2
131.01903	53.8
132.01994	8.0
132.03438	9.9
132.53584	1.2
133.01659	2.8
133.03470	9.3
134.02296	1.4
134.99664	4.1
135.02968	4.6
136.03650	1.6
136.07581	1.8
137.02919	26.6
137.07947	7.5
138.03403	9.4
138.53564	2.8
139.02469	2.5
139.04247	1.1
140.04674	2.1
141.03992	2.7
142.03514	9.9
143.01900	43.7
143.54202	1.8
144.02084	4.0
144.03458	4.1
144.53569	1.8
145.01675	2.1
145.03448	26.9
145.05121	1.2
146.03609	3.7
146.99673	5.0
147.01389	5.3
147.03975	4.5
147.05075	3.0
148.04759	2.4
149.01181	1.5
149.02959	11.4
150.03203	3.0
151.04498	1.3
153.03967	3.9
154.03568	1.2
155.01889	34.6
155.03725	2.1
156.01961	4.7
157.01749	1.0
157.02121	1.4
157.03473	18.7
158.03616	1.4
160.04565	10.2
160.97601	1.5
161.02948	73.1
162.03081	7.2
162.04407	1.2
163.02802	1.8
163.04460	6.7
165.00729	1.8
165.02478	1.1
166.05853	3.0
166.08571	1.1
167.01944	9.7
169.03450	2.4
171.01411	1.5
171.05043	2.6
173.02956	70.0
174.03166	8.6
175.02873	2.4
175.04529	6.3
177.00786	2.1
177.02362	1.2
178.02528	1.2
178.05682	2.5
179.02206	2.4
179.04012	3.7
183.06323	1.4
184.04596	2.8
184.06390	9.5
185.02965	48.1
186.03093	6.6
187.04526	4.8
189.02510	2.2
191.03975	8.0
193.03700	1.0
196.04546	1.9
197.02977	6.1
198.03123	1.3
199.04523	2.5
201.00688	1.9
201.04146	1.3
203.02222	2.3
203.04016	25.0
204.04216	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	182.0812
Annotation	N-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.27459	0.2
53.03932	0.4
55.01869	0.3
55.05503	0.5
56.48554	0.3
56.96561	1.5
57.03415	0.3
58.02959	12.3
65.03931	1.4
67.05518	1.9
68.67308	0.3
69.03433	0.5
69.07052	0.5
70.75900	0.7
71.06128	0.4
71.29551	0.3
76.04001	0.7
79.05489	3.7
80.04999	0.3
81.07053	1.2
84.05302	0.4
84.08122	0.5
86.06084	0.3
89.64579	0.2
91.05476	47.2
92.05054	0.3
92.05798	0.9
93.07037	0.8
95.04968	2.9
95.06088	0.3
95.08601	0.5
97.02894	0.3
98.07175	0.5
98.97556	1.5
99.61543	0.3
99.97887	0.4
103.05465	4.6
105.03387	0.5
105.07098	0.4
107.04960	2.0
108.08109	0.9
110.06045	0.3
111.65205	0.3
116.98598	1.8
117.05768	0.5
117.98985	0.8
118.06543	8.9
119.07320	22.9
121.10101	0.4
122.06017	0.3
122.10468	1.0
123.04449	1.0
123.05540	0.8
125.06000	0.5
126.05502	0.6
126.09151	0.3
131.04915	1.1
134.99657	2.4
135.99992	0.9
136.07570	100.0
137.06084	0.3
137.07938	1.3
140.04689	0.6
140.08130	1.7
146.10454	0.3
149.05911	0.4
153.00745	0.4
154.08620	0.7
164.04442	0.3
164.07037	1.5
164.11554	0.4
167.06915	0.3
182.08043	2.7
182.19090	0.4
201.82896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01843	1.1
55.05508	8.3
55.92128	1.1
56.96556	2.7
57.03443	1.3
57.07048	2.7
58.02961	36.9
59.89745	1.1
67.05502	20.1
69.07067	66.1
70.06597	2.5
70.07383	2.2
71.11138	3.0
74.06077	1.5
79.05492	7.2
81.07059	22.7
83.04962	2.4
83.08607	7.7
83.83689	1.1
84.08148	9.0
88.58839	1.0
91.05499	5.6
93.07030	10.0
95.04974	3.1
95.08622	8.2
97.06559	6.3
98.06039	2.4
98.09695	3.8
98.97578	6.9
99.97928	2.0
100.07618	8.4
105.07042	12.5
107.08589	20.5
109.06564	2.2
109.10157	51.7
110.10529	1.3
112.07600	2.6
114.09155	16.8
116.98627	7.4
117.98952	2.6
119.08585	1.8
120.25060	1.1
121.10175	2.1
123.08035	1.6
123.11726	9.4
126.09164	13.6
133.10138	30.9
134.10442	1.5
134.99664	5.4
135.11705	20.2
135.99979	2.8
137.13235	1.5
138.12785	21.3
140.10696	1.7
147.11662	4.7
151.11185	11.8
153.12737	12.9
154.01108	1.2
164.14369	2.9
165.12724	2.8
182.15408	100.0
183.15724	4.2
188.72845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.99861	0.2
53.03941	0.3
56.96566	0.7
65.03938	0.5
67.05471	0.2
69.03434	0.3
70.63513	0.5
70.63888	0.5
73.02923	0.4
74.02428	1.3
79.05475	0.4
81.07052	0.5
84.96030	0.3
91.05483	36.3
92.05825	0.7
94.06579	0.4
95.04964	5.0
95.05991	0.2
97.02892	0.2
98.06100	0.3
98.97549	0.4
103.05471	0.8
107.04978	1.0
108.05245	0.5
108.08134	0.8
109.06538	2.6
116.86749	0.2
116.98646	0.9
118.06544	2.6
119.04945	37.8
121.06479	0.3
123.04431	13.1
124.04763	0.3
134.99612	0.3
136.07581	100.0
137.05962	0.3
137.07980	1.3
146.05980	0.3
147.04407	5.0
154.08653	0.3
156.34299	0.3
158.99603	0.3
164.07056	0.9
165.04146	0.5
165.05492	7.4
168.92461	0.2
177.00693	0.5
181.03624	0.3
182.04681	0.3
182.08105	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	182.0813
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
50.93084	0.5
53.03938	1.3
55.01860	1.5
56.96562	8.3
57.03435	4.6
58.99852	1.1
61.02925	2.6
65.03929	0.8
69.03431	3.2
70.99852	0.5
71.01357	0.8
71.04961	0.9
71.59730	0.7
71.95283	0.5
73.02907	5.4
77.00893	1.1
78.95256	0.7
81.03400	1.6
84.96014	0.6
85.02894	4.5
86.03660	0.5
87.04457	0.6
88.02669	1.1
91.02433	0.8
91.05479	36.3
93.07034	1.0
94.06579	0.9
95.01941	0.6
95.04967	18.9
95.87450	0.6
97.02885	4.7
98.97576	3.7
99.04452	1.1
100.02486	5.3
101.00867	1.8
102.02406	1.5
103.02438	0.7
103.05480	1.8
104.61588	0.5
107.04937	1.7
108.02426	0.7
108.08123	0.6
109.02869	0.6
109.06523	1.5
110.01332	0.7
111.02930	1.6
113.00829	0.9
115.02420	0.8
116.98622	4.8
118.03529	3.8
118.06524	1.6
119.01907	8.5
119.04938	40.4
121.06510	1.9
123.02943	1.5
123.04425	54.8
124.04705	0.7
127.03954	0.6
128.02286	1.0
128.98643	1.1
131.01900	13.4
132.03490	1.0
133.03503	3.0
134.99635	3.8
135.03131	0.6
136.00040	1.3
136.07571	100.0
137.02913	2.0
137.05977	1.9
137.07892	1.7
138.03423	1.5
142.03455	1.2
143.01909	3.6
144.03421	0.8
144.99799	2.3
145.03462	1.6
146.99655	1.5
147.01347	0.5
147.03210	0.9
147.04404	18.2
149.02954	7.5
150.01857	0.5
151.04526	1.6
154.03508	8.6
154.30171	0.5
155.01857	2.7
157.03474	1.7
158.01276	0.6
158.99649	2.4
159.01369	0.8
159.05049	0.6
160.04582	0.7
160.48126	0.5
161.01581	0.8
161.02942	5.2
163.00830	0.6
164.06985	1.3
165.00580	0.6
165.05473	28.6
166.05785	0.6
168.01445	1.4
172.04564	3.5
173.01476	1.0
173.02942	5.5
175.04546	0.8
177.00716	3.4
177.02467	6.4
178.05624	0.5
182.00938	0.5
182.03026	1.1
182.04437	0.7
182.05785	1.3
182.08090	4.7
182.11754	0.6
185.03017	2.6
189.00775	1.1
195.01865	0.9
195.03452	3.2
197.02957	0.5
200.04037	4.3
203.03986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.101
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
55.05503	0.6
71.03484	0.3
71.03840	0.7
81.07043	0.3
83.08614	1.3
95.04971	0.4
98.97610	1.6
103.05496	0.4
115.05457	0.4
115.65079	0.3
116.98589	1.7
119.17991	0.3
121.10165	0.5
134.99646	1.0
141.06999	6.2
152.06210	1.8
153.06996	9.1
154.07466	0.3
165.03275	0.4
165.07002	45.9
166.07782	77.6
167.08107	3.3
178.07761	0.6
179.08569	3.4
180.09320	1.0
181.10117	100.0
182.10449	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.35392	0.9
53.03933	2.5
55.01863	2.8
55.05510	5.4
56.57980	1.1
56.96564	19.1
57.07074	21.9
59.04983	2.9
59.06112	1.1
65.03942	1.6
67.05484	2.9
69.03408	2.5
69.07072	5.2
69.58255	7.5
71.04996	1.4
71.95245	2.6
75.33328	1.0
77.21179	1.0
79.05482	13.0
80.49020	1.0
81.03423	5.3
81.07065	6.4
83.04471	2.3
83.04977	45.3
83.08615	4.9
87.06300	1.0
91.05468	9.0
92.90536	1.0
93.07050	14.9
95.04964	19.3
95.08589	2.4
97.02915	1.4
97.06529	27.0
98.21451	2.3
98.97580	84.0
101.26490	1.0
103.05454	2.0
105.07037	8.3
107.04936	4.4
107.08594	17.1
109.06494	2.6
111.08036	1.1
111.26424	1.2
116.98617	100.0
117.06991	2.4
117.96944	1.0
119.08578	5.6
121.06507	8.0
121.10145	18.3
122.07191	1.2
123.05556	1.1
123.08051	1.9
124.08631	1.0
125.05986	55.0
130.07774	2.4
134.99652	94.9
135.08031	3.0
135.11687	9.6
135.99931	1.3
136.07582	9.3
137.05957	3.4
139.09837	1.2
140.00191	4.3
140.08205	2.1
140.16832	1.2
141.97284	0.9
145.10104	10.8
148.05176	4.0
149.06047	2.0
153.00713	17.5
158.01257	7.3
163.11177	90.0
164.07040	4.5
164.11525	2.8
181.04947	3.0
181.08691	10.0
181.10033	1.7
181.10789	1.6
181.12218	28.8
197.72905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.58926	1.1
53.03939	2.0
55.05506	3.0
56.96565	8.5
57.07075	23.1
59.05006	2.0
67.05515	1.4
69.03420	1.9
69.07059	3.8
70.86293	2.0
70.86632	2.3
71.95259	1.5
77.57717	1.1
79.05486	8.3
81.03424	6.3
81.07049	4.8
83.04977	52.2
91.05475	1.9
93.07053	7.3
95.04971	14.9
97.06525	27.5
98.97578	26.1
99.05576	2.0
105.07027	5.6
107.04956	1.8
107.08594	10.8
108.42307	1.1
110.07162	1.4
114.15323	1.1
116.59626	1.1
116.98612	42.1
119.08588	3.5
121.06502	3.2
121.10136	13.6
122.55899	1.3
125.05990	62.6
126.06334	1.6
130.07793	2.1
134.99654	83.6
135.08102	1.4
135.11678	4.7
140.00186	5.4
145.10124	10.9
153.00699	21.9
158.01268	18.2
163.11176	100.0
164.11633	3.5
172.84238	1.1
176.02357	4.1
181.02997	1.3
181.08536	1.4
181.10815	1.3
181.12222	29.7
183.87318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	80638-48-8
Peak:m/z	Relative Intensity
50.01566	0.6
51.02383	0.6
53.00299	0.7
53.03945	3.0
54.03454	0.5
55.01876	3.7
55.05495	1.8
55.93514	0.5
56.05021	1.5
56.96564	13.9
57.02565	0.4
57.03423	1.2
57.07072	0.8
58.06598	0.7
59.04966	0.6
59.06128	1.9
59.70936	0.4
63.17872	0.4
65.03934	4.9
67.05213	0.4
67.05507	4.2
68.05005	1.7
68.99788	0.6
69.03408	1.5
69.03757	0.4
69.04554	0.5
69.07061	1.4
70.06573	0.8
71.01341	0.6
71.04981	1.2
71.06099	0.4
71.58768	0.4
71.59138	0.4
71.95254	2.0
74.06076	0.5
77.03927	0.7
78.04700	1.0
79.05492	12.7
80.05035	0.4
80.06259	1.0
81.03400	1.5
81.04533	1.2
81.06730	0.4
81.07056	4.1
82.04189	1.1
82.05322	0.5
82.06554	0.6
83.04987	3.1
83.06097	2.5
83.08629	0.9
84.04510	1.0
85.02902	2.5
85.06524	0.6
85.07649	0.7
86.03228	0.7
91.05477	28.4
92.05784	1.0
92.06263	3.7
93.03396	0.5
93.04514	0.5
93.07041	21.9
95.04967	15.3
95.06078	1.9
95.08607	2.6
95.44002	0.4
96.04482	0.6
96.06841	0.8
97.04041	0.4
97.06531	3.3
97.07648	2.3
98.07177	1.2
98.97579	39.1
99.05565	1.1
101.07107	0.5
102.04703	0.4
103.05463	22.4
105.03407	2.3
105.04535	2.2
105.07022	5.9
106.04226	0.8
107.04951	32.4
107.08583	5.5
108.05773	2.1
108.08923	0.5
109.06495	2.3
109.07640	1.9
109.10120	1.2
110.03649	1.5
110.07167	0.9
110.08448	0.5
111.04416	2.6
111.05573	0.6
111.08021	1.8
111.09202	0.7
113.07156	0.4
114.06671	0.6
115.05458	3.9
116.98615	57.7
117.07009	2.4
119.04955	2.9
119.08609	1.2
120.05770	5.2
121.02861	0.9
121.06507	31.4
121.10134	9.6
122.03611	0.6
122.06181	0.5
122.07148	3.4
123.00793	0.9
123.04482	2.2
123.05526	1.7
123.08053	3.3
123.09158	0.6
124.08719	1.7
125.05991	2.6
125.07005	0.9
125.09606	0.9
131.04916	3.7
133.06473	0.5
134.01199	0.7
134.03169	0.8
134.99651	100.0
135.04390	2.7
135.08041	9.5
135.11667	3.5
136.00035	0.7
136.05194	4.0
136.07562	3.7
136.08698	2.1
136.68428	0.5
137.00032	0.7
137.05981	9.6
137.07025	0.8
137.08113	0.5
137.09639	0.5
138.03133	1.1
138.06767	6.1
138.10217	0.4
139.03960	0.5
139.07503	1.1
139.09756	0.9
139.11189	1.1
140.00186	1.7
140.04710	0.5
140.08191	1.7
141.06702	0.6
142.02603	0.9
145.06400	0.5
145.10107	2.5
147.04425	0.8
148.04877	3.4
149.01271	0.5
149.02318	0.7
149.05975	26.1
151.03909	2.0
151.07535	4.2
153.00705	27.9
153.05473	5.0
153.09103	1.3
154.09766	0.7
158.01236	7.6
163.03912	3.1
163.07536	8.8
163.08771	0.7
163.09799	0.8
163.11124	5.0
164.08171	1.8
164.11800	0.5
165.05472	1.8
165.06894	0.9
166.06274	7.8
166.07787	1.2
167.03433	0.5
167.06981	0.6
171.06493	1.6
176.02344	1.8
179.05487	0.7
181.05040	10.4
181.08588	39.4
181.10754	3.2
181.12277	3.7
182.07944	0.5
182.09259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03951	0.8
54.03456	0.2
55.01873	0.6
55.05510	0.8
55.70317	0.2
56.05031	0.6
56.96565	5.2
57.03434	0.3
57.07053	0.3
59.06126	0.8
60.03342	0.3
63.02375	0.4
65.03940	1.4
67.05511	0.8
68.05035	1.3
69.03427	0.7
69.04548	0.4
69.07073	1.0
70.06592	0.5
71.01359	0.3
71.05012	0.3
71.41463	0.5
71.95270	0.5
73.47000	0.2
74.06091	0.3
79.05492	4.7
81.03420	0.6
81.04536	0.6
81.07045	1.0
81.28210	0.3
82.06579	0.3
83.04970	0.7
83.06096	1.6
83.08611	0.3
84.04509	0.5
84.08137	0.3
84.96053	0.3
85.02920	0.4
85.06556	0.3
86.06041	0.3
89.03912	18.5
91.05473	3.3
93.03403	0.9
93.07037	2.7
95.04962	2.6
95.06083	1.5
95.08595	0.8
97.02918	0.6
97.06522	0.8
97.07656	0.7
98.06027	0.3
98.07148	0.3
98.97580	16.7
99.05572	0.9
101.23094	0.2
103.05447	0.8
105.04475	0.6
105.07017	0.4
107.04954	7.9
107.08585	1.1
109.06518	0.6
109.07666	0.9
110.07130	0.4
111.04444	4.4
111.05271	0.3
111.05541	0.4
111.07980	0.5
111.09231	0.3
114.06655	0.5
116.98616	25.6
117.03377	19.9
117.07017	0.4
118.03712	0.4
119.01791	0.3
119.04951	1.0
119.08564	0.4
120.05677	0.3
120.07109	0.3
121.02865	0.4
121.06495	2.2
121.10119	1.5
122.07161	1.5
123.04414	0.7
123.05503	0.5
123.08053	0.6
123.09218	0.3
124.08697	0.7
125.05985	0.6
125.07086	0.4
134.03711	0.3
134.99654	34.6
135.04410	44.8
135.08040	1.2
135.11583	0.5
136.00009	0.3
136.04810	1.1
136.07552	0.3
136.08655	0.7
137.05997	2.2
137.06993	0.4
137.09596	0.4
138.06555	0.4
138.10240	0.6
139.03888	3.4
139.07440	0.3
139.09743	0.4
140.00200	1.0
140.03400	0.2
140.08241	1.2
141.06621	0.3
141.88707	0.2
145.02840	24.4
145.10110	0.3
146.03175	0.7
146.99664	0.3
149.02286	0.3
149.05942	0.7
150.57547	0.2
151.07542	0.4
152.99452	0.5
153.00700	9.0
153.05545	0.5
153.07069	0.3
153.09102	0.7
154.09685	0.4
157.88307	0.2
158.01248	2.3
163.03896	100.0
163.11189	0.9
164.04259	2.5
164.08159	0.7
166.06088	0.2
176.02296	0.7
177.00639	0.5
181.05040	1.9
181.07378	0.2
181.08656	1.6
181.10979	1.8
181.12253	0.8
182.09300	0.3
186.05469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
50.02443	0.3
53.03941	0.6
55.01862	0.7
55.05505	1.3
56.05030	1.5
56.96568	7.3
57.03435	0.7
57.07069	0.6
58.06603	0.5
59.06124	0.8
60.04523	0.3
60.15917	0.2
63.02375	0.4
65.03934	1.0
67.02985	0.3
67.05486	1.2
68.05023	1.4
69.03422	0.9
69.04552	0.6
69.07063	0.7
70.06590	5.5
70.40380	0.9
71.01334	0.3
71.04986	0.4
71.06121	0.4
71.95258	1.0
72.04515	0.4
72.06905	0.3
77.03934	0.3
77.10307	0.3
78.86273	0.3
79.05488	5.1
80.05015	0.5
81.03423	1.0
81.04551	1.4
81.07057	1.2
82.05328	0.3
82.06568	0.3
83.04973	0.9
83.06101	2.4
83.08617	0.6
84.04501	0.8
84.96032	0.8
85.02898	0.7
85.07647	0.7
89.03916	18.2
90.04255	0.8
91.05478	4.1
93.03411	0.5
93.04551	0.4
93.07053	2.3
94.06557	1.0
95.04962	2.1
95.06091	1.9
95.08614	0.7
96.04470	0.5
96.05628	0.6
96.06860	0.5
97.02899	0.6
97.04027	0.4
97.06522	0.8
97.07635	1.7
98.06060	0.7
98.07188	0.8
98.97581	12.9
99.04456	0.3
99.05569	1.0
99.09210	0.3
101.07146	0.3
103.05449	0.8
105.04516	0.6
105.07050	0.6
107.04962	7.5
107.06054	0.5
107.08614	1.5
108.04451	0.3
108.08118	0.6
109.02895	0.3
109.06523	0.6
109.07623	1.6
110.06055	0.6
110.07167	0.7
111.04440	2.9
111.05581	0.6
111.08027	1.0
111.09190	0.4
112.08708	1.7
113.07105	0.5
114.06646	0.7
116.00206	0.4
116.98616	20.9
117.03377	18.9
117.04237	0.6
117.07005	0.7
118.03721	0.3
119.01843	0.6
119.04956	1.6
119.08559	0.5
121.02852	0.3
121.06490	1.3
121.07545	0.3
121.10132	1.5
122.06026	0.4
122.07137	1.8
123.04413	0.8
123.05537	1.1
123.08008	1.0
124.08744	1.3
125.06005	0.8
125.07101	1.3
125.09621	0.3
128.02342	0.6
128.98657	0.3
131.04930	0.4
134.01271	0.3
134.07155	0.3
134.99657	34.4
135.04414	41.8
135.08017	2.3
135.09146	0.9
135.11668	1.2
135.12592	0.2
135.99969	0.4
136.04752	1.2
136.07550	1.5
136.08679	1.5
137.02950	0.4
137.05038	0.4
137.05978	2.7
137.07042	0.6
137.08113	0.3
138.05544	0.4
138.06613	0.9
138.10196	0.4
139.03906	2.9
139.07503	0.6
139.09749	0.7
140.00174	0.6
140.04262	0.3
140.08121	1.5
141.08932	0.3
143.00133	0.3
145.02844	25.1
145.10155	0.5
146.03238	0.6
146.07074	0.4
146.99692	0.5
148.05164	0.3
149.02376	0.4
149.05952	0.6
151.07472	0.4
151.09764	0.4
153.00713	9.4
153.05446	0.5
153.06856	0.4
153.09064	0.9
154.08598	0.5
154.09752	0.8
158.01257	2.1
158.99628	0.9
163.03902	100.0
163.09747	0.8
163.11166	1.2
164.04254	4.4
164.06999	0.3
164.08162	1.4
164.11807	0.4
166.07761	0.6
167.03400	0.6
176.02347	0.7
176.04007	0.6
177.00696	1.9
177.41103	0.3
181.04909	1.4
181.06262	0.9
181.08601	1.3
181.10965	3.1
181.12244	0.9
182.00916	0.3
182.09326	0.6
186.05469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
52.64240	0.2
53.03935	0.6
53.52857	0.3
55.01871	0.5
55.05504	5.0
56.96561	8.2
57.03432	1.1
57.07067	0.7
57.15163	0.3
58.68630	0.3
59.04995	0.3
60.25027	0.3
62.93665	0.3
63.02375	0.3
65.03934	1.7
67.05507	1.2
69.03413	0.9
69.07072	0.7
69.48963	1.5
69.49390	1.0
71.04987	2.1
71.95248	0.9
79.05485	5.6
81.03423	0.6
81.07040	1.5
83.04984	2.5
83.08614	15.4
85.02891	1.3
89.03912	20.1
91.05475	3.8
93.03397	0.6
93.07043	3.6
95.04964	3.1
95.06074	0.4
95.08611	1.7
97.02901	3.9
97.06512	2.1
98.97581	33.3
99.04441	1.3
103.05461	1.1
105.07024	1.3
106.04147	0.3
107.04287	0.4
107.04960	6.7
107.08578	4.0
109.06480	0.6
109.10140	0.7
111.04421	1.9
111.08051	0.8
116.98615	41.9
117.03374	19.9
117.07011	0.4
119.04910	0.8
119.08577	0.8
121.06496	2.3
121.10136	6.9
122.07132	0.8
123.08072	2.2
124.08684	0.4
125.05997	3.2
134.99655	48.4
135.04411	40.1
135.05215	0.6
135.08020	1.0
135.11664	2.9
136.00058	0.4
136.04756	1.0
136.07541	0.7
137.06038	0.8
137.09613	0.4
138.06676	0.5
139.03902	0.7
139.07506	0.9
139.09720	0.3
139.11194	0.7
140.00140	1.5
140.08247	0.6
141.06891	0.6
145.02840	24.3
145.03876	0.9
145.10129	1.6
146.03185	0.7
149.05983	1.3
153.00716	9.7
153.05478	0.4
153.06932	0.6
153.09132	0.5
153.12727	0.3
158.01260	3.7
163.03897	100.0
163.11151	4.0
163.14819	0.4
164.04243	3.0
164.07057	1.1
165.05739	0.3
165.06992	2.2
166.07771	3.1
176.02307	1.2
179.08537	0.5
181.05025	2.3
181.06451	0.7
181.08539	1.9
181.10114	2.5
181.12222	4.7
181.15750	0.3
186.05473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04382	2.0
55.01871	14.2
55.05504	2.6
55.23422	1.7
56.05043	2.9
56.96569	10.9
57.03443	16.8
60.04519	5.4
61.02930	8.5
67.05505	5.1
68.05028	2.2
69.03433	41.6
70.06583	7.4
71.01368	2.8
71.04992	3.3
71.59090	2.1
71.59538	2.0
72.04520	12.9
73.02913	10.1
79.05490	5.2
80.05031	4.5
81.03432	6.7
82.06567	2.2
84.04517	7.2
84.08141	13.2
85.02905	100.0
85.08486	2.0
86.06062	6.6
89.00634	3.5
91.03967	1.8
91.05509	5.6
92.05826	3.2
93.07030	2.9
94.02914	2.1
94.06573	2.6
95.05019	3.1
96.04506	3.3
96.08102	2.7
97.02901	25.6
98.97575	4.5
99.04450	11.0
101.02383	8.7
106.06539	4.1
107.04996	2.4
108.04477	3.1
109.02872	7.0
110.06043	2.1
111.04475	5.1
115.03926	6.3
116.98643	7.9
118.03477	3.0
119.01921	5.5
119.04955	2.3
120.05283	3.0
120.06560	3.4
120.08121	3.1
121.06521	3.3
122.06008	2.5
123.04408	2.2
124.07573	5.3
127.03916	63.4
128.98671	2.8
131.01855	4.8
134.05978	10.4
134.99634	12.0
135.04405	5.0
136.07619	3.3
137.05939	1.9
144.06577	2.4
145.03522	2.1
145.03802	2.7
145.04962	23.8
146.99606	4.8
148.04865	3.9
149.02966	2.5
149.04688	2.2
152.07021	9.1
153.00711	3.9
156.97478	5.7
157.01688	3.5
157.03465	13.0
162.06473	3.4
162.09154	4.5
163.03934	6.1
163.06088	4.4
174.98505	12.9
175.02777	8.3
175.04457	4.4
179.99092	3.1
180.02905	3.8
180.05092	3.4
180.06569	14.6
180.08737	7.1
180.10257	10.3
181.04993	4.0
184.15324	2.7
198.00104	3.3
198.14128	1.8
198.98570	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	1.4
55.01869	3.3
55.05508	7.6
56.96564	0.7
57.03441	6.8
57.07080	1.5
59.05001	1.0
59.63457	0.4
65.03941	1.4
67.05503	39.3
68.05038	0.4
68.05821	0.6
69.03429	2.4
69.07066	10.1
70.86953	1.2
71.04993	4.2
73.10536	0.4
77.03929	0.7
79.05493	29.4
81.07057	100.0
82.07379	1.5
83.04984	7.0
83.08617	4.1
85.06023	0.3
85.06541	8.6
91.05482	29.4
92.05785	0.4
93.07046	40.6
94.07388	0.8
95.04972	4.9
95.08605	77.0
96.08961	1.0
97.06529	17.2
98.06848	0.5
99.08094	9.9
103.05489	0.5
105.07030	36.7
106.07379	1.2
107.08595	19.2
109.06519	5.7
109.10156	6.6
109.10843	0.8
111.08086	6.1
111.86755	0.4
113.09657	0.8
117.07022	2.2
119.04963	1.1
119.08581	57.8
120.08925	0.9
121.10149	18.5
122.10510	0.4
123.04478	0.5
123.08066	9.2
123.11694	1.8
131.08524	0.7
133.04945	0.4
133.10130	37.4
134.10498	0.8
135.11691	33.9
136.08867	0.6
136.12022	1.0
137.08237	1.8
137.09602	4.3
137.13275	2.5
147.04495	1.0
151.11168	1.5
151.14813	0.7
159.11729	0.7
161.13255	90.9
162.13611	2.4
169.47752	0.4
179.03319	0.9
179.07001	0.9
179.14310	93.0
180.14636	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	4.9
54.28597	0.8
55.01871	8.0
55.05513	30.2
56.96563	2.5
57.03431	3.5
57.07069	1.5
59.04987	1.0
65.03927	2.9
66.92403	0.8
67.05505	100.0
67.66054	0.7
68.05819	1.2
69.03416	1.6
69.06723	1.2
69.07071	18.6
70.01038	1.3
70.01311	4.4
71.04986	2.0
79.05494	65.1
80.05824	1.0
81.02975	1.6
81.03421	22.5
81.07058	94.6
82.07390	1.5
83.04983	34.2
83.08620	15.8
85.06535	3.5
91.05481	55.8
92.05769	0.9
93.07042	43.6
94.07410	1.0
95.04966	12.5
95.08607	69.4
96.08957	1.3
97.06531	35.5
97.10136	3.9
99.07492	1.0
99.08099	3.7
105.04514	1.0
105.07025	28.3
107.08598	11.9
109.06536	5.7
109.10157	12.5
111.08068	10.4
111.28112	0.9
113.09634	9.0
117.07007	1.9
119.04911	1.7
119.08585	30.7
121.10143	7.2
123.08080	3.5
131.08566	1.5
133.10127	19.8
135.11700	6.2
137.09619	3.0
147.04401	2.3
159.11678	1.9
161.06007	1.2
161.13260	16.7
179.03429	1.8
179.06960	0.9
179.14314	54.5
180.14771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	1.1
54.59180	0.8
55.01867	4.8
55.05264	0.9
55.05508	16.9
55.84611	0.9
56.96550	1.4
57.03436	5.4
57.07075	11.1
59.04994	2.5
65.03923	1.8
67.05500	32.5
68.05032	2.2
68.76267	0.8
69.03428	7.2
69.06725	1.7
69.07065	20.6
71.04990	2.7
71.08625	6.6
71.51606	1.2
77.03915	0.9
79.05486	9.5
81.03406	1.2
81.04531	1.3
81.07054	25.6
83.04979	38.0
83.06064	2.5
83.08604	6.1
85.06546	6.5
91.05477	17.6
93.07040	19.5
95.04353	1.4
95.04963	21.5
95.06070	3.3
95.08601	100.0
96.08903	2.1
97.00538	0.7
97.06499	1.8
97.07681	1.5
97.10141	3.3
103.05470	1.7
105.06306	1.3
105.07017	25.6
107.04942	1.6
107.08590	29.1
108.05712	2.6
109.06522	23.3
109.07621	1.6
109.10150	48.1
110.07169	2.0
111.05573	1.1
111.08038	2.7
117.07003	2.3
119.04938	7.3
119.08574	29.2
120.05580	1.5
121.06469	3.6
121.10139	25.2
122.07149	2.0
123.04418	4.1
123.08064	45.8
123.11684	8.1
124.08845	1.9
131.08548	1.8
133.02863	1.0
133.06464	3.5
133.10120	18.8
134.07109	2.2
135.08064	1.8
135.11684	16.3
136.05147	1.1
136.08740	2.0
137.05934	2.7
137.08180	5.5
137.09613	21.3
137.13254	7.0
138.06593	1.2
138.10237	1.1
147.04417	9.5
150.10432	1.0
151.03880	1.3
151.07544	3.1
151.11185	2.9
151.14812	36.1
152.08189	2.1
152.15121	1.1
152.96170	0.9
161.05975	3.6
161.08264	1.6
161.09613	6.5
161.13255	20.2
162.06586	1.3
174.00731	0.9
179.03375	5.1
179.07172	6.2
179.09261	3.8
179.10675	12.2
179.14297	78.7
180.07762	1.3
180.14648	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.95772	0.9
53.03935	1.6
55.01875	4.4
55.05507	8.1
56.96561	1.4
57.03436	8.8
57.07063	2.5
59.04994	0.9
63.52596	0.8
65.03934	1.8
67.05505	40.0
69.03422	2.5
69.07065	9.7
70.25418	2.8
71.05003	5.1
77.03900	0.9
79.05056	1.5
79.05495	29.8
80.96742	0.9
81.07057	100.0
82.07377	1.6
83.04974	7.6
83.08614	6.2
85.06539	7.6
91.05477	32.9
92.05777	0.9
93.06462	1.8
93.07050	42.2
95.04969	5.1
95.08607	82.6
96.08906	1.5
97.06530	19.7
99.08092	10.4
105.07032	39.5
106.07317	1.2
107.08597	17.4
108.08909	0.8
109.06514	6.2
109.10138	5.7
111.08090	6.1
113.09604	1.2
117.07020	1.9
119.04945	3.2
119.08582	52.3
121.10143	16.8
121.11011	1.3
123.04361	1.0
123.08073	9.8
131.08592	1.2
131.77953	0.9
133.06447	1.5
133.10129	36.5
135.11696	31.2
137.08252	1.2
137.09570	4.0
137.13283	2.7
147.04422	4.1
151.11157	1.2
161.05986	1.1
161.13260	86.2
162.13608	3.1
179.03381	1.5
179.07039	1.8
179.14316	95.6
180.14694	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	6.2
55.05511	10.4
56.96555	1.1
57.03435	7.3
57.07057	3.1
58.75525	0.9
59.04992	1.1
59.26735	0.9
60.55887	0.8
65.03928	1.6
67.05500	44.9
68.05025	1.1
69.03423	4.2
69.07063	11.2
70.14626	2.7
71.04992	7.6
79.05489	35.8
81.03413	1.4
81.07053	100.0
82.07392	1.5
83.04987	8.7
83.08625	4.5
85.06537	9.9
91.05477	39.8
93.07040	53.2
95.04967	9.4
95.06049	1.0
95.08602	78.6
96.08929	1.6
97.06525	28.0
99.08091	8.3
103.05447	1.2
105.03378	1.5
105.07025	43.1
107.04945	1.2
107.08591	23.6
109.06513	7.2
109.10157	6.8
111.08082	6.7
117.06995	3.7
119.04934	4.2
119.08575	63.4
120.08896	1.2
121.06539	1.4
121.10142	19.0
122.10465	1.1
123.04433	3.6
123.08048	11.0
123.11739	1.4
131.08572	2.0
133.02831	1.5
133.06485	1.8
133.10129	40.8
134.07068	1.5
135.11693	39.7
136.08722	0.9
137.06085	1.4
137.08237	3.1
137.09608	5.5
137.13266	3.3
147.04384	5.2
151.03874	1.4
151.07550	1.7
151.11134	2.3
151.14882	1.4
159.11722	2.1
161.06049	2.7
161.09590	2.9
161.13254	96.2
162.13560	2.7
163.48026	0.8
179.03400	7.8
179.06950	3.3
179.09322	2.2
179.10823	7.2
179.14305	95.4
180.14619	2.9
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
53.03945	1.8
55.01867	2.7
55.05509	10.3
56.96545	0.9
57.03434	9.3
57.07079	0.9
58.36479	0.7
59.04993	0.7
61.29802	0.7
65.03934	1.3
67.05502	44.3
69.03429	3.0
69.07065	11.6
69.37388	4.8
69.37799	1.5
71.04993	4.2
77.03922	0.8
79.05488	29.5
81.07053	100.0
83.04974	9.9
83.08602	5.8
83.34998	0.8
85.06535	8.7
91.05479	30.9
93.07040	44.8
94.07384	1.3
95.04971	5.8
95.08602	70.9
96.08944	0.8
97.06530	18.2
99.08092	10.2
105.07025	39.9
107.08590	20.4
109.06509	8.5
109.10144	8.0
111.08086	5.9
113.09638	1.7
117.07000	1.1
119.08574	57.0
120.08847	0.8
121.10140	19.2
121.11014	1.1
122.46062	0.7
123.08060	10.5
123.11748	1.5
131.08583	1.2
133.10123	34.3
134.10457	1.1
135.11690	32.5
137.09610	4.8
137.13281	1.9
147.04417	1.3
147.29536	0.7
151.11200	1.4
159.11691	0.7
161.13251	83.4
162.13608	2.4
179.03348	1.6
179.06418	0.9
179.14301	92.7
180.14659	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01870	2.5
55.05504	8.5
56.96548	3.1
57.03438	8.3
57.07067	2.2
59.04986	0.9
64.64088	0.9
65.03917	1.8
67.05503	40.2
69.03420	2.4
69.07067	8.5
69.78638	3.9
69.79056	2.4
71.04980	3.9
79.05061	1.5
79.05495	28.2
81.07058	94.1
82.25223	1.0
83.04973	7.9
83.08598	2.6
85.06573	7.0
91.05482	26.1
93.06466	2.4
93.07043	37.8
95.04948	3.2
95.08606	68.6
97.06526	17.4
97.10211	1.1
99.08098	8.4
105.07030	33.8
107.08591	17.6
109.06514	6.1
109.10152	4.3
109.68258	1.0
111.08075	4.7
113.09645	1.3
117.06995	2.3
119.04916	2.2
119.08579	51.3
121.10135	14.8
123.08057	10.5
123.11700	1.0
131.08569	1.2
133.10126	32.8
135.11693	29.7
137.09631	4.0
137.13158	1.1
151.11208	1.5
151.14839	1.1
161.13257	89.9
162.13579	1.7
174.57036	1.0
176.79221	1.2
179.14310	100.0
180.14651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.71992	0.6
53.03942	2.1
55.01870	3.3
55.05506	6.1
56.96562	1.8
57.03433	7.2
57.07066	1.3
61.29080	0.7
65.03931	1.9
67.05503	42.8
69.03434	2.1
69.07069	10.1
70.55688	2.3
71.04991	4.6
79.05494	27.9
81.03396	1.3
81.07054	100.0
82.07417	1.3
83.04974	6.4
83.08620	3.6
85.06544	10.4
91.05476	28.7
92.05798	0.9
93.07042	36.9
95.04974	4.8
95.08604	68.5
96.08983	0.9
97.06527	15.4
99.08086	10.0
103.05428	0.9
105.07030	31.6
105.87288	0.7
107.08585	16.6
109.06541	6.6
109.10149	6.0
111.08096	6.5
113.09640	1.0
115.30101	0.9
117.07011	2.1
119.08581	47.8
120.08890	0.9
121.10143	12.9
121.10930	0.4
123.08077	9.1
123.11715	0.7
131.08571	0.8
133.10121	26.5
135.11697	25.5
137.09618	4.0
137.13239	1.9
146.68748	0.7
147.60533	0.9
151.07539	2.0
151.11165	1.8
151.14819	0.8
156.69516	0.9
161.13257	77.0
162.13593	2.3
179.14307	97.5
180.14664	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	1.8
55.01871	2.8
55.05507	7.9
56.96557	2.5
57.03433	7.6
57.07068	1.2
59.04980	1.3
60.10685	0.9
65.03936	1.8
67.05505	38.8
69.03418	2.8
69.07068	10.8
70.87189	2.5
71.04995	4.7
71.36123	0.9
79.05491	29.3
81.03409	1.0
81.07055	100.0
82.07397	1.3
83.04984	6.8
83.08626	4.6
85.06544	10.0
91.04906	0.8
91.05479	32.2
93.07043	43.1
94.07367	1.3
95.04963	5.1
95.08605	80.3
96.08965	0.9
97.06527	18.4
99.08090	11.2
105.07028	38.5
107.08591	21.2
109.06516	8.5
109.10164	7.3
111.08073	6.2
113.09634	1.4
117.07039	2.3
119.04960	1.7
119.08578	56.4
121.10147	17.3
123.04453	1.4
123.08060	13.7
131.08571	1.1
133.10132	37.0
135.11690	36.2
137.09605	5.0
137.13251	2.7
147.04410	2.8
151.11163	1.4
151.14809	1.2
159.11700	1.1
161.06035	1.3
161.13254	93.0
162.13617	3.0
175.02727	0.9
179.03395	2.7
179.06995	1.7
179.10806	2.7
179.14311	94.2
180.14603	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03926	2.3
53.44067	0.7
54.07039	0.7
55.01864	1.7
55.05255	1.0
55.05507	12.1
56.96565	1.1
57.03444	6.3
65.03930	1.5
67.05504	45.4
67.19077	0.7
69.03408	1.7
69.07061	11.3
69.07431	1.1
69.07578	0.6
69.92286	0.8
70.13223	1.7
70.13603	3.4
71.04977	2.6
76.84763	0.7
79.05489	28.0
81.07053	100.0
83.04974	9.9
83.08615	10.4
85.06541	6.4
91.04900	1.1
91.05477	28.3
93.07037	32.9
95.04994	4.0
95.08603	71.1
97.06524	15.8
99.08089	13.9
105.07025	31.5
107.08595	13.0
109.06504	4.0
109.10142	4.4
111.08068	7.4
113.09657	5.6
117.07043	1.7
119.08579	45.9
121.10137	12.2
123.08060	7.7
125.09563	0.8
131.08548	0.9
133.10129	29.1
135.11688	25.9
137.09613	3.2
137.13258	1.9
151.11098	1.2
160.90953	0.9
161.13251	71.7
162.13641	1.3
173.96664	0.8
179.14302	89.4
180.14622	1.7
184.41031	0.8
192.32982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	3.2
55.05500	8.8
56.96583	0.8
57.03435	10.0
57.07079	2.4
59.04979	0.7
65.03921	1.7
67.05499	42.8
69.03422	2.8
69.07066	9.8
71.04994	4.7
71.37070	1.4
77.03918	0.9
79.05486	32.4
81.07050	100.0
82.07384	2.1
83.04977	8.1
83.08604	5.5
85.06540	8.6
91.05475	36.3
91.99174	0.6
93.07037	44.2
95.04963	4.9
95.08600	79.7
96.08964	0.8
97.06526	17.8
99.08074	8.7
101.71678	0.9
102.08216	0.7
103.05468	0.7
105.07024	42.1
106.07326	1.2
107.08582	22.2
109.06507	6.9
109.10146	6.6
111.08080	6.3
111.44943	0.7
113.09653	1.2
117.07021	3.4
119.04852	0.8
119.08572	67.1
120.08892	0.9
121.10134	18.6
121.11023	0.9
123.08059	11.1
123.11703	0.9
131.08539	1.2
133.06479	0.8
133.10123	35.9
134.10472	1.5
135.11679	37.3
136.12007	1.3
137.09604	4.4
137.13246	2.4
138.73296	0.8
147.04373	1.0
151.11176	1.5
151.14792	1.2
159.11710	1.5
161.13243	94.2
162.13588	3.3
165.93193	0.7
179.03413	2.3
179.06444	1.3
179.14296	92.5
180.14638	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02387	0.3
53.03952	0.5
53.82864	0.2
55.01868	0.4
56.96558	0.4
61.71705	0.2
67.05492	0.8
68.05033	0.3
68.42944	0.2
70.85749	0.5
70.86093	0.2
77.03932	1.0
79.05495	0.6
89.03902	2.0
91.05516	0.3
95.04974	1.3
95.06091	0.4
105.03391	3.0
105.07005	0.4
106.43381	0.2
107.04968	0.3
109.02864	0.4
110.31594	0.2
112.88001	0.2
117.03369	0.7
119.04919	0.4
121.10189	0.2
123.04424	38.5
124.04747	0.9
124.66262	0.2
133.02849	27.4
134.03188	0.3
134.07150	0.2
135.04424	4.3
136.81686	0.2
137.08243	0.7
147.04401	0.6
151.03902	9.8
152.08170	0.4
155.99762	0.3
161.02371	0.3
161.06012	0.4
174.00758	0.5
179.03391	100.0
180.03746	1.8
181.04720	0.2
181.92307	0.2
188.29405	0.2
193.60616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76978	0.8
55.01859	1.6
55.05509	5.2
56.05035	9.4
56.96566	11.4
57.02180	14.1
57.05811	3.4
57.07071	6.5
58.02953	3.2
58.06598	1.0
59.04999	8.9
60.04520	4.8
61.97445	0.9
62.69872	0.7
67.05497	2.9
67.65891	0.9
68.05025	2.9
69.03418	2.5
69.04497	0.9
69.07065	11.4
70.06593	12.1
70.07845	6.2
70.88299	2.6
71.04990	4.8
71.07363	1.4
72.08155	93.6
73.06544	2.0
74.02438	68.9
75.03220	65.8
79.05488	4.5
81.03376	0.9
81.04558	1.9
81.07059	5.2
82.05315	0.8
82.06580	9.0
82.07381	0.8
83.04978	3.8
83.06092	2.2
84.08148	3.7
85.06547	1.7
86.06056	2.6
86.07347	2.0
86.09705	100.0
87.03217	2.9
87.08062	1.2
87.10007	1.0
88.02213	1.7
88.03989	1.4
91.05496	4.6
93.07042	1.0
94.06541	1.1
95.04982	2.0
95.06109	2.5
95.08612	1.0
96.04486	1.2
96.08126	14.5
97.06524	12.2
97.07627	1.1
98.07301	11.4
98.09686	12.4
99.08105	1.4
99.10005	1.3
100.07631	1.7
104.03443	10.4
104.07109	1.6
105.07040	1.6
107.04974	1.5
107.08571	0.9
108.05594	1.0
109.06499	1.8
109.07619	1.1
110.07182	2.9
114.09164	18.7
115.07563	7.1
115.09959	4.0
116.03502	1.5
116.07105	1.0
116.98641	2.4
117.07838	4.4
118.08665	2.0
118.96764	2.1
119.04926	3.9
122.07118	1.1
123.02602	1.0
123.04411	4.9
128.07080	3.3
130.06572	1.2
131.09422	2.3
131.98952	0.9
132.04456	1.7
132.06572	1.7
132.08102	3.5
132.10207	44.8
133.02850	2.3
133.07581	1.2
133.10097	1.2
133.99072	1.2
134.06012	2.3
134.07079	1.6
134.99646	1.2
135.04422	1.4
136.07584	3.1
136.93112	0.9
137.06052	1.1
137.08180	6.5
142.08646	8.6
144.10219	1.2
146.03282	1.2
146.08110	0.9
147.04414	3.9
149.06842	16.4
150.03055	1.0
150.05463	1.4
151.03963	1.2
151.09749	2.0
152.08215	1.8
153.00772	1.1
154.94202	4.6
154.96442	1.3
155.99669	2.6
160.07587	2.7
160.09726	1.8
161.06087	2.0
161.08215	1.1
163.08479	1.5
172.95259	16.2
173.01173	1.2
174.00783	4.9
178.04959	7.0
178.07213	1.7
178.08617	2.2
178.10808	25.2
178.12300	1.5
178.13324	1.4
179.03383	6.5
179.06923	2.6
179.09328	1.9
179.10748	1.8
190.96382	12.8
192.01904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
54.03532	0.3
55.01864	1.1
55.02964	0.3
56.05019	0.7
56.96564	3.2
65.03934	0.7
66.04694	0.6
67.05492	0.9
68.05038	0.7
68.99782	0.5
69.03416	0.6
69.04543	0.5
69.07057	0.5
70.06561	0.4
71.59558	0.3
71.59940	0.5
78.04690	1.1
79.05491	10.3
79.05956	0.6
81.03410	0.5
81.04530	0.9
81.07033	0.6
82.05319	0.5
83.06095	0.9
88.02210	1.0
89.03905	2.7
90.04210	0.6
90.04704	1.8
91.05477	5.3
92.05807	1.0
93.03423	0.7
93.04507	0.4
93.07039	0.5
94.06570	0.5
94.07356	0.4
95.04963	2.6
95.06082	1.6
95.08579	0.3
96.04471	0.6
96.05628	0.4
97.02878	0.5
97.06420	0.7
98.07172	0.9
98.98473	0.4
103.05466	2.1
104.05699	0.7
104.06359	2.0
105.03395	1.5
105.07046	2.2
106.04180	0.9
106.06552	0.8
107.04984	7.5
107.06075	0.5
108.05652	0.3
109.02829	0.8
109.06487	0.5
109.07630	0.6
110.07163	1.6
110.56046	0.4
115.05450	1.6
116.04930	0.4
117.03379	8.2
117.05766	1.2
118.04164	37.1
118.06524	1.5
119.05016	3.4
119.05840	0.4
119.06103	0.4
119.08578	0.5
120.05577	0.9
120.08112	0.6
121.06445	1.2
121.10155	0.3
122.03627	0.9
122.06056	0.5
122.06918	0.8
123.04438	2.1
123.09166	0.4
124.08678	0.5
130.06512	0.5
131.04935	6.5
132.02002	0.4
132.04459	4.8
132.05704	19.7
132.08067	7.3
132.08989	0.6
133.02856	1.5
133.06451	1.5
133.07442	0.3
134.03645	0.5
134.07066	0.5
134.99571	0.4
135.04417	9.1
136.02188	0.4
136.07536	0.8
136.08574	0.6
137.05945	0.6
137.07085	0.5
137.08211	4.3
138.06693	0.4
138.08977	0.5
139.07410	0.4
142.06525	2.1
145.02846	1.1
146.03627	100.0
147.04216	3.8
149.05974	0.5
150.03072	1.3
150.05444	0.9
150.06491	0.7
150.09117	0.6
151.03954	2.3
151.07564	0.8
151.08752	0.4
151.09723	1.9
152.08173	0.7
155.01959	0.4
160.03920	0.6
160.05222	5.1
160.07565	12.5
161.06006	1.7
161.08102	1.0
162.06731	0.4
163.03908	27.1
164.04234	0.8
172.95290	0.9
173.01256	0.5
174.00737	0.7
177.05510	0.4
178.02730	1.4
178.05040	2.1
178.06253	38.2
178.08681	1.8
178.09555	1.7
178.10794	4.5
178.12141	0.7
178.13385	0.7
179.03389	5.5
179.06956	2.4
179.09311	1.0
179.10657	0.7
184.01743	1.5
190.96420	0.7
193.02316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	2.9
55.01857	2.8
55.05512	16.3
56.96569	18.5
57.07061	2.8
63.26398	1.2
67.05505	10.6
69.03415	1.9
69.07066	42.0
71.00027	1.2
71.00349	1.7
71.04954	1.2
79.05495	24.0
81.04557	1.1
81.07055	29.0
83.08607	16.0
87.77256	1.1
88.02219	2.5
89.03901	5.4
91.05478	20.3
93.07040	52.7
94.90000	1.6
95.01324	1.1
95.04944	4.5
95.06169	1.1
95.08606	54.2
96.08899	1.5
97.10155	3.0
98.04823	1.0
98.52637	1.3
98.98463	12.5
103.05482	2.0
105.06361	1.9
105.07020	16.2
106.04155	2.4
106.07264	1.3
107.04951	3.0
107.08590	69.6
109.04176	1.2
109.06507	3.3
109.10155	21.2
116.98611	1.5
117.03316	9.3
117.07057	5.6
117.61742	1.2
118.03526	1.9
119.06070	1.7
119.08565	9.3
120.06808	1.1
121.02843	2.4
121.06500	4.7
121.10139	100.0
129.06973	2.0
131.01865	3.4
131.08562	13.7
133.05913	1.5
133.10146	9.5
134.06693	1.2
134.10555	1.3
134.99612	1.7
135.04413	1.8
135.08070	5.4
135.11681	26.1
137.09557	4.2
142.06477	6.1
142.56230	1.9
143.07199	2.4
144.09346	2.2
144.56772	2.1
145.02829	11.2
147.08061	1.5
149.02327	8.1
149.05972	6.7
149.09599	3.7
149.13257	15.3
151.06985	2.7
153.57329	1.8
153.93707	3.2
159.08054	3.7
159.11690	10.7
160.07588	2.1
161.09631	2.6
162.03145	2.3
163.58614	2.2
172.95255	3.4
177.05452	8.9
177.06633	1.2
177.09033	7.7
177.11325	1.5
177.12764	23.2
177.16382	79.9
178.04971	2.1
178.08629	1.8
178.16783	2.6
190.95259	3.6
190.96536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01860	2.7
55.05508	22.4
56.96332	1.7
56.96568	21.2
57.07077	2.8
57.27762	1.3
60.95842	2.0
64.03716	1.5
65.03918	4.4
67.05169	2.0
67.05505	22.2
69.03436	3.3
69.07067	38.1
70.15295	5.8
71.04966	1.9
78.04679	1.7
79.05062	2.6
79.05499	36.3
81.03400	2.9
81.07059	37.0
83.04987	2.4
83.08620	19.5
84.98384	1.4
85.86407	1.5
88.02198	2.2
89.03932	8.2
91.04958	2.4
91.05481	31.1
93.04510	1.4
93.07044	75.3
95.04974	12.3
95.08607	69.6
95.09240	2.2
97.10168	6.0
98.20885	2.3
98.98466	15.8
103.05453	4.9
104.03060	1.7
105.07029	16.0
106.04175	3.7
107.04952	4.2
107.08595	87.8
109.06495	5.1
109.10161	28.9
115.05484	1.5
116.06239	3.2
117.03368	14.2
117.07029	7.2
119.08595	12.4
121.02878	2.0
121.06523	11.8
121.10145	100.0
122.10447	2.1
123.02148	1.6
123.08035	1.6
123.11639	1.9
129.06978	2.5
130.04666	1.5
131.04929	2.5
131.08569	19.9
133.06546	2.4
133.10138	11.0
134.03687	3.1
134.99678	2.5
135.04436	2.1
135.08055	8.4
135.11694	38.9
145.02827	18.5
149.02354	11.3
149.05997	7.7
149.06999	1.7
149.09595	7.2
149.13271	13.6
152.02283	1.8
153.00746	1.9
153.93698	2.6
154.06425	4.3
159.04427	2.1
159.08044	6.5
159.11703	11.1
160.07526	2.5
161.09644	2.3
162.03137	3.9
163.06967	5.5
170.86870	1.8
172.95319	2.9
174.57730	1.5
175.14883	2.2
177.05447	16.3
177.07762	2.6
177.09091	14.2
177.11392	2.7
177.12791	26.0
177.16383	94.6
178.04953	2.7
178.10777	1.7
187.27124	1.4
190.95284	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	3.0
55.05505	16.2
67.05502	11.7
69.07067	30.1
78.29488	1.7
79.05483	28.7
81.06581	3.8
81.07054	69.7
83.08601	12.2
88.72335	2.0
89.03889	5.4
91.05463	12.4
93.06466	3.7
93.07034	55.0
95.04959	2.0
95.06102	3.4
95.08598	66.8
97.10150	6.4
98.98463	3.1
105.07019	11.9
107.08590	100.0
108.82531	2.1
109.06506	2.7
109.10141	20.0
109.65070	1.8
117.03377	10.4
119.08527	3.6
121.06489	2.3
121.10136	99.8
122.10465	3.8
134.03658	1.9
134.07133	2.4
135.11688	18.7
136.07535	1.8
136.08673	4.1
137.08229	2.4
137.09543	2.2
142.63893	1.9
145.02829	10.7
149.06000	3.7
149.13226	8.3
160.08626	2.4
177.05377	4.2
177.11328	4.5
177.12773	7.4
177.14786	3.8
177.16367	76.9
178.16893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	3.1
55.01861	0.7
55.05512	13.1
57.07070	2.6
65.03946	1.2
67.05506	44.8
68.05829	0.7
69.07070	11.3
69.85322	1.4
69.85732	2.5
71.08619	1.0
79.05495	62.4
80.05826	1.1
81.03397	0.7
81.07056	39.7
82.07407	0.9
83.05016	0.7
83.08626	9.1
88.02207	0.8
89.03929	1.6
90.78212	0.6
91.05482	17.7
93.07045	79.7
94.07370	2.1
95.04427	0.9
95.04980	8.0
95.08606	48.3
96.08936	1.0
97.06535	1.6
97.10166	2.6
98.98451	2.7
103.05437	0.6
105.04520	1.6
105.07038	6.9
106.94214	0.6
107.01103	0.6
107.04929	0.6
107.08594	37.7
108.08955	0.9
109.06526	2.3
109.09457	1.0
109.10160	18.9
111.11668	0.5
117.03384	2.4
117.07055	4.7
119.08577	2.5
121.02856	0.8
121.06483	1.7
121.10143	100.0
122.10459	2.4
123.11690	0.8
129.06984	0.7
131.04872	0.6
131.08572	6.4
133.10127	5.6
134.03598	1.0
135.08073	2.1
135.11691	34.9
136.12064	0.7
141.29379	0.7
145.02840	2.0
149.02335	3.0
149.05960	2.5
149.09625	0.9
149.13278	5.2
150.73535	0.6
159.07991	0.9
159.11694	10.1
177.05461	3.3
177.09126	2.6
177.12790	19.2
177.16389	46.9
178.04950	1.0
178.15872	0.5
178.16809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03922	1.9
55.05510	14.6
56.96556	1.8
57.07064	2.1
65.03909	1.1
67.05501	8.4
69.07067	26.5
70.79379	0.9
70.79710	2.1
71.08575	0.8
79.05006	0.8
79.05485	19.0
81.07056	20.9
83.04955	1.2
83.08617	17.9
89.03891	2.3
89.16216	0.7
91.05478	11.4
93.07043	45.5
95.04990	3.9
95.08609	43.2
96.08941	0.7
97.10170	4.1
98.98454	4.0
103.05457	1.9
105.07032	11.8
105.49361	0.8
107.04932	1.8
107.08595	79.3
108.08961	1.5
109.06500	1.9
109.10149	13.4
117.03358	3.9
117.07015	2.3
119.08577	3.5
121.06510	2.2
121.10143	100.0
122.10485	2.2
123.08109	1.2
131.01866	1.1
131.08562	3.8
133.10118	3.3
135.08125	1.3
135.11684	18.6
141.99017	0.8
145.02837	4.5
149.02335	2.4
149.05974	3.3
149.09671	0.8
149.13254	6.4
154.03502	0.8
159.11690	3.6
177.05441	4.9
177.09148	3.2
177.12798	14.9
177.16388	67.8
178.06221	0.9
178.16768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	3.2
55.01860	2.2
55.05510	15.7
57.03420	1.0
57.07060	2.1
65.03912	2.4
67.05502	47.4
69.03419	2.0
69.06713	1.3
69.07059	13.4
71.60925	1.3
79.05489	69.8
81.07056	47.1
83.04960	2.8
83.08616	9.7
85.57906	1.0
88.02196	1.9
88.07661	1.0
89.03905	3.6
91.05476	23.4
93.07040	90.2
94.07365	1.8
95.04961	10.4
95.08602	49.1
96.08942	1.2
97.06499	3.0
97.10152	2.0
98.98466	6.7
103.05434	1.5
105.04494	1.7
105.07040	11.1
106.75744	0.9
107.04941	3.5
107.08591	48.2
108.08884	0.9
109.06502	3.0
109.10152	18.6
111.08067	1.1
115.05492	1.1
116.99477	1.2
117.03378	3.7
117.07018	10.2
119.08572	6.3
121.02842	0.9
121.06483	3.8
121.10136	100.0
122.10480	2.3
123.08115	1.5
123.11723	1.1
129.07013	1.9
131.08563	11.7
132.08888	1.0
133.06503	1.5
133.10121	10.1
134.03673	1.3
135.04414	2.1
135.08054	5.2
135.11690	40.2
136.11993	1.1
144.09258	0.9
145.02855	6.0
149.02315	5.9
149.05960	3.8
149.09639	2.5
149.13246	12.3
150.74414	1.0
153.23843	1.1
159.08011	1.7
159.11685	19.9
160.07501	1.0
177.05412	5.9
177.09116	3.1
177.12762	41.9
177.16380	45.5
178.05019	1.4
178.06912	1.1
178.13226	1.2
178.16768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.64942	1.0
53.00295	0.9
53.03928	3.2
55.01869	5.7
55.05516	4.6
56.96552	3.8
57.03442	1.3
65.03918	2.2
67.05177	2.0
67.05505	23.1
69.03411	1.3
69.07069	6.9
69.46495	7.4
77.03933	1.4
78.04716	0.9
79.05492	34.7
79.05958	1.7
81.03423	4.7
81.07057	35.7
83.04973	4.8
83.08598	2.4
85.06516	1.4
89.03910	2.8
91.05485	35.1
92.05796	1.4
93.07042	51.9
94.07358	1.3
95.04966	11.4
95.08605	12.2
97.06531	8.7
98.98472	1.2
103.05453	0.9
105.04501	1.2
105.07028	25.0
106.04185	2.3
106.07334	1.1
107.04958	6.9
107.08594	19.6
109.06496	6.5
109.10178	1.9
111.08081	4.7
115.05505	1.8
116.44487	1.0
117.03355	2.2
117.07021	26.6
119.08601	8.8
121.06512	5.0
121.10128	14.0
129.06966	2.4
131.08574	32.6
133.10130	37.2
134.10439	1.1
135.08040	10.1
135.11684	10.4
144.09361	2.9
145.02821	4.8
147.11537	1.0
149.02287	1.6
149.05981	3.4
149.09618	3.9
149.13263	15.3
153.46523	1.0
157.10178	1.3
159.11690	49.6
160.12050	1.7
162.03157	1.4
163.07022	1.0
177.05460	4.5
177.09215	2.4
177.12749	100.0
177.16104	2.2
178.10812	0.9
178.13072	3.3
184.97250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01862	3.7
55.05508	25.4
56.96550	6.3
57.03426	8.1
57.07062	5.0
60.95844	5.4
65.03935	2.3
67.05174	1.5
67.05503	20.6
69.03423	8.0
69.07063	36.5
71.04993	8.3
71.59953	1.8
79.05489	54.3
81.06573	2.7
81.07053	45.5
83.04968	4.6
83.08610	10.4
85.06531	2.0
89.03899	3.4
91.05475	48.6
93.03329	1.4
93.07037	100.0
95.04972	17.6
95.08606	28.7
97.06512	4.6
98.98466	3.6
103.05437	3.3
105.04509	1.9
105.07027	37.2
107.04950	13.8
107.08589	73.1
108.08891	1.4
109.06521	15.1
109.10132	5.5
115.05444	4.4
116.06204	1.6
117.03363	4.4
117.07014	32.6
119.08577	19.9
121.06506	21.1
121.10138	40.6
122.07283	1.3
123.08119	2.9
125.71692	1.2
128.03992	1.1
129.07007	10.7
130.07767	6.7
131.01866	1.6
131.08553	37.0
133.06474	5.7
133.10121	11.7
135.04401	1.2
135.08049	14.7
135.11682	15.9
143.05405	8.0
144.09317	9.4
145.02838	6.7
145.05005	3.2
147.11681	3.0
149.02325	5.0
149.05937	3.7
149.09619	3.6
149.13257	15.6
157.10130	1.6
159.11685	35.0
172.95332	1.4
177.05470	7.5
177.06845	2.2
177.09113	3.6
177.12743	57.5
177.16345	14.8
178.12213	2.2
190.95284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03931	3.0
55.01873	7.0
55.05511	6.3
56.96547	3.1
57.03423	2.7
57.93569	0.8
59.05006	0.9
65.03926	3.3
67.05177	1.7
67.05505	23.9
68.05005	0.9
69.03408	3.2
69.07061	8.3
70.10891	3.5
77.03925	2.0
78.04703	2.4
79.05490	36.2
81.03419	4.8
81.07054	39.8
82.07343	0.9
83.04979	5.9
83.06089	1.3
83.08609	4.6
85.06530	1.9
87.05557	1.5
89.03920	3.8
91.05477	44.7
93.07040	59.2
95.04967	15.1
95.06069	2.2
95.08592	10.2
97.06521	8.6
97.07620	0.8
98.97589	4.8
98.98452	5.6
103.05448	6.1
105.04547	1.1
105.07027	27.9
106.04168	8.0
107.04975	5.6
107.08590	26.7
109.02873	5.2
109.06520	6.2
109.07630	2.0
109.10148	2.0
110.07143	1.0
111.08055	2.9
115.05458	3.0
116.06220	1.2
116.98635	4.8
117.03372	4.7
117.07014	29.1
118.04163	1.1
118.07325	1.0
119.04893	1.0
119.08578	10.7
120.05704	0.9
120.08102	1.9
121.02923	0.9
121.06512	13.5
121.09303	1.6
121.10135	17.9
122.07087	1.1
123.08064	1.2
129.06985	3.0
130.07753	1.0
131.01920	1.0
131.04922	5.0
131.06987	1.4
131.08565	34.8
133.06500	2.2
133.10121	36.5
134.03561	2.2
134.07114	1.6
134.10478	1.2
134.99617	5.3
135.04424	1.2
135.08046	14.6
135.11670	12.0
136.08684	2.1
137.08260	1.4
137.09451	2.5
144.05646	0.9
144.09335	2.1
145.02802	6.2
145.06473	1.4
146.03580	1.2
147.04391	1.1
147.11681	1.4
149.02318	4.7
149.05962	9.2
149.09595	6.7
149.13255	18.1
150.06581	1.3
153.00708	1.1
157.10144	1.8
159.04451	0.9
159.08052	4.6
159.11687	41.7
160.08653	1.2
160.12021	1.7
162.03093	2.2
162.06737	2.4
163.03946	1.1
177.05461	11.7
177.07718	1.3
177.09117	24.1
177.12737	100.0
177.16064	4.3
178.10814	2.0
178.13049	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.57808	0.6
53.03939	1.7
55.01875	4.5
55.05509	4.0
56.96561	0.6
57.03425	1.7
65.03925	1.2
67.05504	20.4
67.05868	1.0
69.03428	0.6
69.06716	0.7
69.07068	6.2
70.32545	1.5
71.04955	0.7
79.05490	28.0
80.05860	0.8
81.03412	4.6
81.07054	36.4
82.07378	0.5
83.04974	4.1
83.08617	3.0
85.06538	1.0
89.03910	0.6
91.05476	30.2
92.05778	0.9
93.07041	45.1
94.07374	1.3
95.04975	11.2
95.08609	7.9
97.06525	10.1
98.98457	1.2
99.08060	1.1
103.05466	0.9
105.04536	0.8
105.07027	19.9
107.04951	5.0
107.08593	17.1
109.06525	4.8
111.08092	3.9
115.05464	1.5
117.03365	1.0
117.07014	21.8
119.08562	5.0
121.06532	3.8
121.10139	10.3
123.08028	1.2
129.06989	1.5
130.07771	0.9
131.08568	25.7
133.10127	31.8
134.10486	1.1
135.08058	8.7
135.11693	9.2
136.11940	0.7
144.09309	1.2
145.02849	0.8
147.11673	0.9
149.02383	1.2
149.06009	0.9
149.09612	3.5
149.13257	16.9
152.71651	0.5
157.10190	1.2
159.11690	44.5
160.12047	2.0
177.05507	1.8
177.12744	100.0
178.13100	4.0
196.25536	0.5
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
50.40086	0.5
53.03951	2.0
55.01884	1.4
55.05518	2.1
56.05035	0.9
56.96569	6.9
57.03436	0.7
59.06129	1.8
61.97894	0.6
63.02382	1.3
65.03947	2.5
67.05513	2.2
68.05039	0.8
68.99794	1.4
69.03430	1.7
69.07073	1.5
70.06594	1.0
71.01372	1.1
71.05004	0.9
71.58912	0.8
71.59339	0.7
73.02953	0.5
73.14691	0.6
78.04718	4.8
79.05489	5.9
79.05830	0.5
80.05025	0.6
81.03423	1.2
81.04536	1.3
81.07069	4.3
82.06599	0.8
83.04986	1.0
83.06133	0.8
87.05596	2.8
88.02219	0.7
89.03918	52.3
90.04268	1.4
91.05483	13.0
92.41168	0.7
93.03410	1.0
93.04569	1.4
93.07046	8.1
94.06582	0.7
95.04970	4.9
95.06089	2.2
95.08616	1.9
96.06868	1.2
97.06527	0.6
97.07650	1.1
98.97595	2.1
98.98465	6.2
103.05472	7.5
105.03422	1.1
105.07050	3.8
106.04169	8.2
107.04968	4.2
107.06077	0.6
107.08580	4.7
107.88033	0.6
108.05679	0.7
109.02906	1.3
109.06533	0.7
109.07647	2.5
110.07189	1.3
112.64711	0.7
115.05486	1.2
116.06279	1.3
116.98634	3.7
117.03381	79.9
117.07026	5.0
118.04184	2.3
119.04926	1.9
119.06097	1.3
119.08561	3.2
120.08128	0.9
121.02921	1.9
121.03969	0.6
121.06503	9.3
121.07443	1.0
121.07702	0.9
121.10132	5.5
122.07172	1.5
124.05207	2.0
129.04451	1.0
129.07021	0.8
130.06572	0.7
131.01936	2.4
131.04924	4.4
131.06909	4.5
131.08566	5.3
132.04468	1.2
132.05638	2.1
132.08093	0.7
133.01582	0.7
133.02774	0.8
133.06520	1.4
133.10126	1.8
134.03638	13.2
134.07172	1.3
134.99654	5.5
135.04437	11.8
135.06650	0.9
135.08064	3.2
135.11713	2.5
136.07599	0.6
136.08723	3.3
137.05916	0.8
137.09489	2.2
144.05719	0.9
144.09340	0.7
145.02847	100.0
146.03648	10.4
147.04433	2.1
149.02312	5.0
149.05980	35.7
149.06889	1.3
149.09650	2.1
149.13245	1.1
150.06461	1.8
150.10287	1.4
153.00732	0.7
154.03456	0.7
159.04414	1.6
159.06635	0.6
159.08070	2.6
159.11667	3.0
160.07518	1.6
160.08716	1.2
160.31673	0.7
162.03134	4.0
162.06741	1.2
163.03894	7.0
172.95279	2.4
173.01286	0.7
177.05463	42.0
177.07747	1.2
177.09032	13.9
177.11325	3.9
177.12758	6.5
177.16338	2.1
178.04810	1.1
178.06160	3.2
178.08652	1.0
178.10890	1.8
186.05507	2.9
190.96445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02412	0.6
53.03959	0.9
55.01881	1.0
55.05522	1.0
56.96572	2.4
58.06596	0.5
63.02372	1.2
63.90689	0.5
65.03935	0.7
67.05507	1.5
69.03423	0.9
69.07068	1.4
69.61507	4.0
70.06583	0.5
78.04715	3.4
79.05506	3.7
79.63680	0.5
81.03416	0.9
81.04552	0.9
81.07056	2.7
82.06569	0.7
83.06112	0.5
87.05589	1.4
89.03919	45.0
90.04253	1.5
91.05479	7.4
93.07053	5.7
95.04971	2.7
95.06099	1.2
95.08620	2.0
97.02898	0.5
97.07675	0.7
98.97603	1.6
98.98462	4.5
103.05467	3.5
105.06351	0.5
105.06980	2.4
106.04195	4.3
107.04954	1.4
107.06046	0.6
107.08585	4.7
109.02895	1.0
109.06524	0.8
109.07617	1.4
110.07132	0.6
115.05422	1.0
116.06279	0.5
116.98641	2.3
117.03381	74.9
117.07026	2.2
118.03728	2.1
119.04976	0.7
119.06081	0.5
119.08575	2.3
120.08115	1.8
121.02859	0.8
121.03987	0.8
121.06493	5.0
121.10145	3.8
122.07097	0.7
124.05200	2.0
129.04584	0.7
131.01906	1.2
131.04913	2.0
131.06897	1.2
131.08562	3.8
133.06497	0.9
133.07513	0.6
133.10114	1.5
134.03635	10.1
134.07138	0.9
134.99683	2.4
135.04436	7.7
135.08086	2.4
135.11713	2.2
136.08701	1.5
137.09497	1.4
145.02846	100.0
146.03175	3.2
147.04387	0.6
149.02327	3.1
149.05986	28.6
149.09608	1.8
149.13249	0.9
149.94580	0.8
150.06436	1.2
150.10225	1.0
151.07452	0.6
151.09883	0.5
158.05992	1.0
159.08064	1.7
159.11702	3.3
159.12903	0.6
160.08705	0.9
162.03157	3.1
162.82494	0.6
163.03885	1.9
172.95296	1.0
176.16837	0.6
177.05461	30.3
177.07814	0.8
177.09039	6.8
177.11375	2.5
177.12758	5.4
177.16367	1.6
178.10899	1.1
186.05453	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.60052	0.4
53.03948	0.8
55.01868	0.5
55.05510	0.7
56.96566	2.4
57.86432	0.5
61.07320	0.4
63.02388	1.3
65.03928	0.5
67.05499	1.2
69.07065	0.9
78.04713	3.8
79.05490	2.8
81.07056	1.7
83.08632	0.4
89.03913	50.9
90.04243	1.0
91.05483	5.4
93.07035	3.3
95.04975	2.3
95.08598	2.9
97.06542	0.4
98.98454	2.3
103.05459	3.3
105.03407	0.7
105.07021	4.4
106.04172	3.7
107.04935	1.1
107.08589	3.5
109.10139	0.7
117.03373	82.1
118.03678	2.2
119.04943	0.7
119.08546	0.5
121.02885	0.5
121.06497	1.4
121.10139	3.3
124.05215	1.8
131.01949	0.4
131.04918	0.7
131.08565	1.5
133.06505	2.7
133.10121	0.9
134.03632	10.5
135.04424	7.6
135.08060	1.6
135.11691	1.5
142.00995	0.5
145.02838	100.0
146.03168	2.7
148.80568	0.4
149.02335	1.4
149.05972	26.9
149.09633	0.7
149.13202	0.8
150.06299	1.0
153.93669	0.6
154.94145	0.4
158.06021	1.4
159.08067	0.8
159.11702	1.3
162.03117	1.5
163.03886	2.3
172.95293	0.4
177.05457	29.0
177.09109	1.7
177.12752	2.7
177.16362	2.2
178.05888	0.7
178.12250	3.3
186.05511	4.1
189.53564	0.4
190.95306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41309	0.3
51.02343	0.4
53.03939	1.6
55.01852	1.1
55.05471	0.4
55.45601	0.3
56.05025	0.5
56.96563	35.7
57.03433	3.3
59.04986	0.5
59.06108	1.4
60.04512	0.6
61.02920	2.1
65.03926	0.8
67.05497	1.1
67.71507	0.3
69.03424	8.7
69.04521	0.4
69.07066	0.9
70.54034	1.1
71.01341	0.5
71.04991	0.6
71.95255	1.1
73.02916	3.1
74.12067	0.3
74.97614	0.8
75.05582	0.5
78.04706	0.4
78.08476	0.3
79.05494	2.9
81.03419	2.5
81.04518	0.6
81.07056	1.3
83.01334	0.5
83.06089	0.5
83.08614	0.4
84.04475	0.4
84.96030	6.9
85.02905	5.0
87.05596	2.1
89.03921	1.1
91.05483	5.1
93.07052	2.8
95.04975	2.6
95.06093	1.0
95.08591	1.5
97.02893	5.8
97.96851	0.5
98.97580	12.7
98.98463	4.0
99.04474	0.5
100.01807	1.2
102.05565	0.5
102.97073	1.5
103.05473	1.1
105.07035	0.9
106.04178	0.4
106.06517	0.5
107.04950	100.0
107.08587	2.4
108.05272	5.6
109.02251	0.9
109.02880	1.6
109.06496	0.6
109.10194	0.6
110.97547	2.9
114.01518	0.9
115.05431	0.5
115.07806	0.3
116.98617	16.3
117.03377	2.3
117.07061	0.5
118.96769	0.8
119.01773	0.6
119.04975	1.1
119.08546	0.5
120.04524	0.4
120.05537	0.5
120.08094	0.8
120.98125	0.9
121.02952	0.4
121.06508	1.6
121.10147	3.2
122.06017	0.4
122.07178	0.8
123.02047	2.2
127.03909	0.5
128.02316	0.4
128.98604	6.9
129.06900	0.5
131.00185	1.2
131.04938	6.5
131.05923	0.5
131.06892	0.9
131.08569	1.5
132.02516	0.6
132.05370	0.4
133.02913	0.8
133.98940	0.5
134.07170	0.5
134.09647	2.4
134.99657	24.3
135.01921	2.1
135.04405	1.1
135.08058	1.1
135.11688	1.2
136.02820	0.6
136.08727	0.9
137.05965	4.4
140.98587	0.6
141.02019	1.3
141.52289	0.5
142.02815	1.0
143.00153	2.5
144.02576	0.6
144.98111	0.7
145.02824	2.5
146.99643	14.5
147.02000	0.6
147.08058	0.4
148.02795	1.6
149.01212	1.7
149.02353	2.8
149.05951	4.8
149.08199	0.4
149.09610	1.0
150.02560	0.7
150.06569	1.2
150.10303	0.4
153.00702	5.1
153.05487	0.9
154.94200	0.4
155.00198	0.5
156.02559	1.4
158.01279	0.8
158.99678	2.7
159.04408	0.6
159.08006	1.0
159.11702	1.0
160.00166	0.4
160.07599	0.6
161.01212	9.3
161.53384	0.4
162.02974	0.7
162.99149	1.4
163.00514	0.7
165.00716	3.0
165.99365	0.4
169.01833	0.4
170.99712	0.8
172.95341	1.7
173.01193	1.1
177.00656	3.6
177.03157	0.8
177.05440	4.3
177.07646	0.8
177.08899	2.4
177.11595	1.7
177.12564	1.8
177.16391	1.3
178.04982	1.4
178.12244	3.6
179.00238	0.6
179.02254	2.1
181.01701	2.8
183.03323	1.5
184.00346	0.5
185.01312	0.8
186.03592	2.7
187.02855	0.4
189.00699	2.0
190.96368	0.6
195.01683	0.9
197.01234	2.0
199.02782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0708
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.02394	0.4
53.03946	2.5
55.01893	0.6
55.05514	1.9
56.61343	0.2
56.96567	1.3
57.03447	0.4
57.07096	0.3
57.87449	0.2
58.90432	0.2
58.99609	0.3
59.02091	0.2
59.06164	0.2
61.01151	2.3
62.99077	1.6
65.00650	1.5
65.00883	0.1
65.03956	0.7
65.42864	0.2
67.05529	0.7
68.05051	0.6
69.03451	0.7
69.07091	0.4
70.04227	0.2
70.06613	0.5
71.05014	0.6
71.06956	0.4
71.99088	1.0
75.02745	0.3
77.03950	0.2
78.03440	1.0
78.04697	0.4
79.05511	0.7
81.03422	0.2
81.07066	0.4
82.99582	0.3
83.08637	0.3
85.01131	4.9
85.01638	0.3
86.06071	0.2
87.02699	4.1
89.00644	0.4
89.03917	3.7
91.05484	3.0
91.05993	0.2
92.05821	0.5
93.07052	0.8
95.04984	0.6
95.08623	0.5
96.04491	5.9
96.05096	0.3
98.97601	0.3
98.98472	1.0
100.02233	0.4
101.02997	0.2
101.04261	0.8
103.02172	2.5
103.05471	2.2
104.02943	0.4
105.07055	0.5
106.04198	0.4
106.07350	0.5
107.04962	0.4
107.08608	0.4
109.02860	0.3
112.02197	7.9
113.02990	0.3
115.05483	0.3
116.97264	0.3
116.98611	0.5
117.03347	5.3
117.05742	0.5
117.07040	0.6
118.06547	41.8
119.06833	1.0
119.08574	0.7
120.08135	0.7
120.08923	0.7
121.06522	0.8
121.10148	0.6
128.00677	0.2
128.05061	0.3
130.06532	100.0
131.04921	0.6
131.06883	3.2
131.08566	0.7
132.04448	0.4
133.10130	0.4
134.03661	0.9
134.07181	0.2
134.10484	0.6
134.99661	0.7
135.04446	1.0
136.07425	0.3
137.09395	0.2
145.02852	7.0
145.06531	0.3
146.06017	0.2
148.03888	0.2
148.07474	0.9
149.02290	0.7
149.05989	4.3
149.09604	0.3
153.00616	0.2
158.06018	25.6
159.06413	0.9
159.11678	0.6
161.05583	0.4
162.03134	0.4
162.06818	0.2
163.03949	0.4
165.50288	0.2
176.02003	4.7
176.07021	11.3
176.11528	0.5
176.14015	0.3
176.15234	0.7
177.05467	3.8
177.07208	0.4
177.07550	0.3
177.09044	2.4
177.11354	0.2
177.12738	0.9
177.16267	0.3
186.00734	0.2
186.05486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39194	12.9
71.06903	1.3
75.29064	1.1
85.58134	1.3
96.94482	1.1
98.21455	2.2
114.27909	1.3
130.09744	1.5
130.12268	2.6
132.02106	100.0
142.68173	1.5
150.03201	1.8
166.62292	1.4
176.01070	20.5
176.10493	1.3
176.12709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.2
53.00282	1.6
53.03951	29.8
55.01892	1.8
55.05514	16.6
56.96568	9.0
57.03444	1.5
57.07083	2.0
58.99585	2.9
60.05658	1.3
61.01156	29.7
62.99079	15.8
63.24797	1.0
65.00644	16.4
65.03938	3.5
67.04253	1.2
67.05503	7.7
68.05035	8.2
69.03428	8.7
69.07057	3.2
70.04208	1.8
70.06594	3.4
71.05000	5.8
71.06933	1.4
71.11824	2.5
71.12149	1.3
71.99110	12.0
74.99088	1.8
75.02704	4.3
78.03459	12.4
78.96789	1.9
79.05495	2.3
80.05008	2.6
81.07053	2.0
82.99574	3.7
83.08615	1.8
83.52946	1.1
84.00343	2.5
85.01134	61.3
86.01902	2.4
87.02696	54.0
89.00607	3.3
89.03870	7.6
91.05480	5.8
92.05827	1.4
93.07049	3.4
96.04498	80.7
97.04829	2.1
98.97633	1.6
98.98468	3.4
100.02207	1.4
101.02962	3.5
101.04253	13.0
103.02170	27.4
103.05451	3.7
104.02943	5.0
105.07052	2.1
106.04151	3.8
106.07347	1.3
107.04930	2.1
107.08599	1.3
112.02197	89.4
113.03041	1.4
116.00269	1.1
116.05811	1.3
116.98660	5.3
117.03634	14.5
118.06555	25.9
119.08527	2.3
120.08116	1.2
120.08910	4.8
121.06528	2.2
121.10155	2.8
129.25339	1.1
130.06537	100.0
131.04936	1.7
131.06921	1.8
131.08516	2.3
133.10185	1.3
134.03619	1.5
134.10500	2.6
134.99643	3.9
135.04422	2.0
136.07423	1.5
136.29517	1.1
143.99336	1.3
145.02852	14.5
148.07574	3.2
148.11989	1.3
149.02338	1.2
149.06010	9.6
153.00739	1.5
158.06029	21.7
162.03127	1.3
162.55225	3.2
176.02005	58.9
176.06953	13.9
176.09311	2.4
176.15266	2.4
177.02171	1.2
177.05487	7.8
177.09122	3.5
177.12743	2.8
177.16327	2.3
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	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01875	1.6
55.05518	9.1
56.96570	5.0
58.89568	0.7
59.61753	0.7
60.05650	6.5
65.03942	0.9
67.05511	3.4
69.03428	1.8
69.06709	1.3
69.07070	16.7
70.06596	18.2
70.06985	0.9
71.05013	1.0
71.39770	1.6
79.05502	5.3
81.03420	1.0
81.07061	18.8
82.44567	0.6
83.08630	2.7
85.02905	2.8
91.05483	19.6
92.05798	0.7
93.07044	9.1
95.04969	1.3
95.08614	9.9
97.02889	1.5
98.98470	19.9
103.02325	1.1
103.05481	1.9
104.06237	0.9
105.07033	39.7
107.08600	8.7
109.10147	0.8
112.08723	1.2
112.18064	0.7
115.03948	0.6
115.05453	6.6
116.06374	1.0
116.07087	4.2
116.99503	1.4
117.07029	6.6
118.06488	1.0
118.07754	0.8
119.04935	1.3
119.08583	96.3
120.08910	2.1
121.06500	0.9
121.10139	3.3
128.06203	2.5
129.07014	7.8
130.06525	8.9
130.09753	2.6
131.04919	0.9
131.08557	9.7
132.04422	1.0
132.05690	1.9
133.06493	1.5
133.10133	100.0
134.10477	3.2
135.07941	1.2
142.07730	1.9
143.05409	2.9
145.06538	1.2
145.10156	7.6
146.05992	1.3
146.10890	2.1
147.04399	2.6
147.08076	3.8
147.11691	14.4
148.07588	1.4
148.12036	0.8
151.93907	0.7
152.05914	0.8
157.10117	1.5
158.06023	0.9
158.09251	1.0
159.11711	1.4
160.05182	7.2
160.08511	1.5
160.12497	5.1
173.13266	3.0
175.03885	1.2
175.07513	18.8
175.09726	1.7
175.11270	6.1
175.14830	99.3
176.06943	1.1
176.15154	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03940	1.0
55.01869	1.6
55.05509	8.8
56.96571	1.6
57.07070	0.9
60.05635	0.7
65.03940	1.2
67.05505	4.1
69.03426	1.8
69.07066	18.3
70.06599	2.6
71.60143	0.6
71.60517	0.6
72.93782	1.2
79.05490	7.4
80.05011	0.6
81.07057	12.4
83.04991	0.8
83.08614	3.7
84.05301	0.7
87.04463	0.7
91.05479	28.5
92.05833	1.0
93.07046	8.4
95.04965	2.3
95.06089	0.7
95.08601	8.9
97.02882	0.8
98.98465	19.1
100.73335	0.5
103.05486	2.4
104.06261	0.7
105.03414	0.7
105.07027	50.1
106.07360	1.3
107.04922	0.8
107.08579	7.0
108.95850	0.6
109.06514	1.0
111.04427	0.6
115.03931	0.8
115.05441	5.7
116.06297	1.2
116.07067	0.8
116.98593	0.5
116.99500	1.0
117.07015	8.1
118.06504	1.4
119.04921	1.5
119.08578	100.0
120.08094	1.2
120.08916	3.3
121.06507	2.2
121.10191	2.8
128.06209	1.7
129.07004	8.2
130.06512	7.6
131.04906	0.7
131.07596	0.7
131.08571	10.7
132.04428	2.4
132.05676	2.0
132.09322	1.5
132.95840	0.5
133.06532	3.1
133.10124	80.3
134.05949	0.6
134.07164	1.4
134.10399	2.7
134.99678	1.0
135.07913	2.2
135.11681	0.8
140.66058	0.6
141.07004	0.7
142.07767	5.5
143.04927	0.9
145.06483	2.3
145.10136	6.3
146.07181	1.7
146.10883	1.6
147.04437	2.8
147.08047	6.9
147.11696	18.0
148.07523	1.0
148.08653	0.8
148.12016	0.8
150.96964	1.0
151.97012	0.7
153.00737	0.7
157.06444	0.9
157.07632	1.0
157.10152	5.8
158.06032	4.7
159.08159	0.7
159.11711	0.6
160.05179	6.2
160.08862	3.7
160.12482	3.9
173.13264	2.2
175.03922	0.7
175.07518	16.3
175.09937	1.4
175.11176	27.5
175.14822	89.1
176.07062	2.1
176.09219	0.6
176.11629	1.3
176.15199	3.5
184.90706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03935	1.2
55.01877	0.8
55.05511	10.0
56.05041	0.7
56.96566	2.2
57.07071	1.1
57.21849	0.5
59.06126	0.7
65.03961	0.8
67.05494	2.9
69.07069	21.7
70.06596	1.0
70.07384	0.6
71.43167	0.8
79.05497	4.1
81.07056	10.6
82.06614	0.6
83.08620	4.7
87.04527	0.6
88.02233	0.7
90.94822	1.0
91.05480	17.3
93.07037	6.1
95.04981	0.7
95.08611	8.3
98.98463	10.3
103.05454	1.5
104.06268	0.6
105.07030	32.8
106.07388	0.9
107.04952	0.7
107.06028	0.9
107.08596	7.8
109.10224	0.7
114.79770	0.6
115.05430	3.5
116.06284	0.8
116.97213	0.8
117.07003	5.0
119.08583	100.0
120.08170	0.6
120.08927	2.3
121.06442	0.8
121.10175	2.7
128.06209	0.6
129.07004	4.0
130.06520	2.4
130.55519	0.7
131.08569	9.6
132.05739	0.7
132.95845	0.8
133.10132	80.6
134.07132	1.4
134.10477	1.3
134.99678	0.7
135.07997	0.8
135.11691	0.8
139.72641	0.5
142.07793	1.6
145.06528	0.6
145.10126	7.4
146.10904	2.1
147.04390	2.2
147.08026	2.2
147.09077	0.5
147.11691	17.4
148.08685	1.2
150.96860	0.7
150.98102	0.6
151.93883	0.8
157.10138	1.3
158.10849	0.7
160.05232	3.2
160.08804	1.0
160.12521	4.2
173.13225	3.1
175.03960	0.8
175.07521	8.6
175.11366	6.7
175.14827	96.6
176.07050	1.1
176.15134	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05516	4.0
57.07055	1.0
67.05480	1.8
69.07060	14.9
69.41656	7.1
69.42056	1.7
79.05490	3.7
81.07047	6.8
83.08607	2.4
91.05475	10.5
93.07014	4.9
95.08587	3.6
98.98459	6.1
103.05420	1.2
105.07023	24.8
107.08593	5.0
117.06995	3.8
119.08573	68.7
120.08910	1.6
121.10117	1.6
129.06972	2.2
131.08551	5.6
132.02031	0.9
132.09335	0.9
133.10121	66.5
134.10405	1.6
142.07744	1.7
144.09300	1.1
145.10107	12.7
146.10825	1.4
147.11673	27.0
157.04317	0.9
157.10098	2.3
159.11700	6.3
160.12468	8.8
161.13223	2.7
173.13194	1.1
175.11316	6.0
175.14810	100.0
176.15149	3.5
179.63893	0.8
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	Ionene
Peak:m/z	Relative Intensity
53.03947	0.8
55.05509	9.3
56.96575	0.7
57.07079	1.0
57.83531	0.4
65.03948	0.7
67.05508	3.0
69.03416	1.1
69.07068	22.2
70.06580	0.7
71.30668	0.9
78.00104	0.5
79.05484	4.3
81.03436	0.6
81.07055	8.8
83.08617	5.2
86.56614	0.5
91.05479	15.4
92.05772	0.7
93.07040	5.2
95.04963	1.8
95.08603	7.1
96.30953	0.5
98.97556	0.5
98.98473	4.9
100.03993	0.4
103.05457	1.6
104.06271	0.6
105.07027	39.8
106.07355	1.2
107.05005	0.5
107.08602	6.4
109.06519	0.8
115.05455	2.2
117.07005	5.4
118.07771	0.5
119.08576	100.0
120.08848	3.0
121.06496	1.9
121.10160	2.8
127.41367	0.5
128.06265	0.5
129.06990	3.4
130.06531	0.9
131.04915	0.7
131.08575	7.6
132.09285	1.3
133.06479	1.7
133.10127	80.9
133.79979	0.4
134.10368	2.5
135.11716	0.9
141.06953	0.5
142.07767	3.6
145.06464	1.6
145.10110	8.8
146.06042	0.5
146.07216	0.9
146.10881	1.6
147.04382	0.5
147.08046	2.6
147.11681	15.8
148.08676	0.6
148.12059	0.5
157.06458	0.7
157.10132	4.5
158.07219	0.4
158.10938	0.4
159.11617	1.4
160.05205	1.3
160.08757	1.9
160.12444	4.0
170.69360	0.4
173.13306	3.2
175.03859	0.9
175.07550	3.3
175.11223	18.9
175.14818	97.6
176.15163	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05506	11.8
56.96553	1.5
57.07061	1.1
64.47892	0.7
67.05491	4.2
69.07062	25.4
69.46658	0.7
70.03037	3.1
79.05495	5.4
81.07056	18.1
83.08609	4.2
91.05473	18.4
93.07030	7.9
95.04930	0.9
95.08607	14.4
98.20745	1.2
98.98435	1.6
101.03326	0.8
103.05439	1.5
105.07021	46.0
106.07328	1.7
107.08593	9.8
109.10125	1.0
117.07011	5.8
119.08572	99.1
120.08830	2.0
121.10120	2.1
129.06970	1.5
131.08528	6.6
132.09320	1.5
133.10120	100.0
134.10472	2.8
134.87231	0.9
145.10118	7.0
146.10883	3.4
147.11681	13.9
148.12027	0.8
160.12483	4.4
164.06047	0.9
173.13268	2.0
175.11278	2.5
175.14810	94.2
176.15117	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03947	0.6
55.05511	8.3
56.05850	0.3
56.96557	0.6
57.07072	0.7
60.05653	1.9
65.03938	0.6
67.05511	2.8
69.07070	20.2
70.06592	7.1
70.95277	0.8
73.43150	0.4
74.32474	0.3
74.49727	0.4
77.03916	0.5
79.05495	4.0
81.07057	11.9
81.24593	0.3
83.08628	4.3
85.59064	0.4
87.04498	0.4
91.05482	13.1
92.05829	0.4
93.07061	4.8
94.18120	0.3
95.04967	0.8
95.08612	7.3
97.02908	0.3
98.98463	7.4
103.05469	1.5
104.06240	0.8
105.07033	32.4
106.07360	0.9
107.08598	7.0
112.68597	0.3
115.05451	2.3
116.06354	0.5
116.07062	2.1
117.07014	4.7
118.07808	0.5
119.08582	97.3
120.08799	2.4
121.10146	2.9
124.03002	0.3
126.17253	0.3
129.06998	1.7
130.06522	4.4
130.09761	0.9
131.08553	6.1
132.05733	0.6
132.09354	0.7
133.10132	94.4
134.10416	2.7
135.07916	0.4
135.11722	0.6
136.68388	0.4
138.08499	0.4
144.09344	0.6
145.10112	7.8
146.10864	1.5
147.04350	0.9
147.08034	2.0
147.11687	13.3
148.11986	0.5
157.06429	0.5
157.10089	0.9
158.06032	0.6
158.09241	0.6
158.10870	0.6
159.11690	1.0
160.05228	3.5
160.12468	4.4
173.13258	2.6
175.03697	0.5
175.07532	6.9
175.11584	2.6
175.14827	100.0
176.07004	0.6
176.15198	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
52.59937	0.2
58.35801	0.2
59.41308	0.2
60.05648	35.5
70.06592	100.0
70.16918	0.2
70.61228	0.8
71.04998	2.2
71.06915	0.9
72.08157	4.4
73.06416	0.3
84.08150	0.4
88.07623	0.4
95.06030	0.2
97.07660	0.9
98.06044	0.6
98.21406	0.4
99.64764	0.2
100.56519	0.2
112.08742	4.3
113.07092	0.3
114.10288	0.7
115.08699	0.9
116.07093	25.4
119.01858	0.3
130.09764	12.3
132.02110	1.1
148.08411	0.2
157.10860	0.9
158.09265	6.6
175.11902	18.8
176.12099	0.3
185.18092	0.3
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
51.02377	0.9
53.03945	6.2
54.96983	0.6
55.01856	0.6
55.05510	11.5
56.96564	1.4
57.03433	0.7
57.07075	1.1
58.28325	0.5
58.99577	0.9
61.01143	4.9
62.99065	2.4
65.00625	1.8
65.03945	1.3
67.05507	6.0
68.05016	1.7
69.03425	2.3
69.07066	20.7
70.06588	1.2
71.04995	1.5
71.59724	0.8
71.99095	2.4
75.02696	1.1
75.05157	0.5
77.03944	0.7
78.03436	1.4
78.96770	0.7
79.05489	6.0
81.03417	0.6
81.07055	16.6
82.99565	0.7
83.08607	4.3
85.01123	9.6
87.02687	6.4
89.00621	0.9
91.05475	20.7
92.05789	0.8
93.07039	8.6
95.04962	1.3
95.08607	12.0
96.04488	14.4
97.02898	0.7
98.98463	11.9
101.04231	1.5
103.02171	6.0
103.05448	2.1
104.02942	1.1
104.06218	0.9
105.07025	43.4
106.07394	0.8
107.08583	7.5
109.06496	0.6
109.10152	1.1
112.02190	15.9
115.05436	2.8
116.99414	0.6
117.03706	2.8
117.07004	5.1
118.06540	1.8
119.08572	100.0
120.08923	2.1
121.06468	0.6
121.10139	3.6
129.07027	4.1
130.06526	6.8
131.08571	8.2
132.09340	1.0
133.06491	1.9
133.10121	86.2
134.07132	1.0
134.10454	2.5
135.07996	1.0
142.07750	2.6
145.06453	0.9
145.10126	6.8
146.07280	0.9
146.10829	1.9
147.04428	2.1
147.08022	2.8
147.11671	14.4
148.08643	0.9
148.12065	0.9
150.96896	1.0
157.06401	0.9
157.10132	3.2
158.06009	1.9
159.11655	0.8
160.05176	3.1
160.08786	1.6
160.12430	3.1
173.13222	3.6
175.03914	1.6
175.07503	5.9
175.11221	9.7
175.14815	94.4
176.01993	12.2
176.07050	1.8
176.11592	0.9
176.15150	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	37.9
62.48302	0.2
68.05065	0.2
70.06589	100.0
70.79603	0.3
70.79992	0.3
71.04986	1.3
71.06910	0.8
72.08152	4.2
72.08528	0.3
80.14256	0.2
84.08157	0.9
86.14060	0.2
88.07647	0.6
97.07655	0.7
98.06035	0.7
112.08723	5.2
113.07146	0.5
114.10299	0.9
115.08704	0.9
116.07086	30.4
116.98617	0.2
117.07433	0.4
119.01936	0.4
128.49495	0.3
130.09756	13.7
131.10075	0.2
133.03456	0.5
133.09737	0.2
137.02908	0.2
137.49998	1.5
138.00034	0.3
138.49869	0.4
140.00304	0.3
140.50238	0.2
141.00180	0.1
141.06543	0.3
149.00821	2.0
149.50844	0.3
149.59669	0.2
150.00687	0.7
151.04572	0.3
157.10869	1.4
158.09239	8.8
159.07727	0.3
167.00429	0.2
175.04529	0.9
175.11897	23.9
176.12230	0.4
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	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01865	1.8
55.05516	4.5
56.05003	0.8
56.96550	3.0
57.03436	22.2
59.05016	1.1
59.07860	0.7
60.05641	1.0
61.01503	0.7
62.36574	0.6
65.03925	1.7
66.40842	0.7
67.05504	14.0
67.87350	0.7
69.03407	2.7
69.07059	2.8
70.06577	1.9
70.59089	1.7
74.93134	0.8
79.05495	7.4
81.03426	0.7
81.07063	4.6
83.04974	0.9
91.05475	26.1
92.90417	2.4
93.07034	4.4
95.04973	13.4
95.08595	1.9
97.02904	1.4
98.98461	21.8
103.05469	1.7
105.04511	0.8
105.07026	31.1
107.04955	8.5
107.08565	2.7
109.06529	0.9
110.91494	0.7
111.04398	1.2
115.03944	1.0
115.05454	3.0
115.83555	0.7
116.07024	0.9
116.97215	1.9
117.07042	6.9
119.04932	2.3
119.08578	63.2
120.08899	1.7
121.06529	3.7
121.10106	1.3
123.47263	0.7
128.06201	2.8
129.07011	11.0
130.06506	1.4
131.04927	3.8
131.08560	5.9
132.05672	4.1
133.06485	34.6
133.10120	18.2
135.08052	3.2
136.58005	1.7
141.06975	1.8
142.07779	11.2
143.06200	0.8
145.03537	0.7
145.06480	11.2
145.10083	3.7
145.58549	1.5
146.07259	33.6
147.08041	78.7
147.11688	16.6
148.08481	1.6
151.94049	5.7
155.06026	0.7
157.04349	1.1
157.06459	1.5
157.07620	2.6
157.10107	8.9
159.08054	0.8
159.91562	0.7
160.08812	7.7
161.09221	0.9
169.95137	1.7
175.03893	2.0
175.07652	5.6
175.11176	100.0
175.14729	11.9
176.11499	2.8
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	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01872	9.5
55.05508	6.0
56.96563	32.3
57.03428	5.5
57.07058	1.1
60.05649	1.9
61.02921	1.3
65.03936	1.7
67.05503	14.6
68.14842	0.9
69.03418	2.3
69.07069	6.3
70.06589	7.7
74.45385	0.9
74.93179	1.1
76.83393	1.0
77.09028	0.8
79.05061	1.9
79.05489	23.1
81.02072	0.9
81.03416	15.3
81.07053	21.5
83.04970	4.1
83.08622	5.1
84.11812	1.1
85.02914	1.1
87.04532	1.0
91.05479	53.9
92.05734	0.9
92.90461	1.0
93.07037	15.6
94.01807	2.1
95.04967	15.4
95.08621	4.5
97.02892	2.1
97.06525	1.3
98.20780	1.8
98.98459	33.6
103.01840	1.0
103.02337	10.8
103.05441	2.3
105.07027	43.2
107.04957	13.2
107.08607	5.5
109.06495	3.7
111.04456	1.0
112.02834	3.4
113.02493	1.2
115.05458	8.3
116.06223	2.7
116.07096	2.1
116.97253	1.8
116.99512	1.9
117.07045	5.3
119.04930	2.9
119.08577	45.6
121.06490	3.9
122.03106	3.0
124.04646	1.4
125.04317	2.3
128.06203	6.5
129.06993	48.8
130.06496	3.0
130.07381	1.1
131.04976	0.9
131.05971	0.9
131.08571	23.2
132.05595	1.2
133.06491	18.1
133.10123	24.9
134.04834	3.3
134.07205	2.4
136.58035	4.6
137.09575	1.1
140.74666	1.4
141.06961	1.9
142.06757	1.5
142.07773	15.1
142.58076	1.2
143.05417	30.5
143.55573	3.9
145.01680	1.8
145.06496	1.4
145.10138	4.0
145.58560	5.9
146.07266	0.9
147.04420	2.4
147.08043	11.3
147.11684	19.9
148.08748	1.1
148.31241	1.1
150.57715	0.9
151.58586	1.5
151.94009	5.0
152.05951	14.9
152.56110	2.3
154.56226	9.9
155.08566	1.7
157.01674	2.8
157.04291	2.0
157.10130	38.3
158.10428	1.3
160.05170	1.8
160.08788	1.4
161.06432	1.5
163.56747	2.1
169.95064	1.8
175.02753	5.7
175.07506	8.7
175.11172	100.0
175.14766	17.4
176.06964	1.5
176.11494	3.6
185.04781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02362	0.7
54.79461	0.5
55.01863	1.9
55.05510	0.9
56.96558	0.9
57.07052	0.7
60.05644	2.8
65.03945	0.9
67.05486	0.8
69.03413	2.3
69.07066	1.0
69.94196	2.6
70.06242	0.7
70.06591	8.7
75.36624	0.5
78.04700	4.3
79.05484	3.5
81.07048	1.6
89.03889	0.6
91.05481	43.3
92.05825	1.2
92.90037	0.5
93.07035	2.4
95.04967	1.5
95.08588	1.3
98.21545	0.5
98.98462	11.7
103.05460	5.9
104.06251	26.7
105.03381	1.6
105.07059	8.9
107.04955	10.0
107.08548	1.2
111.04493	0.6
115.05454	51.8
116.06219	2.4
116.07095	2.1
116.99498	0.6
117.07019	25.0
118.06546	0.7
118.07317	1.0
119.04913	1.1
119.08579	47.8
120.01495	0.6
120.08873	0.8
121.06465	0.7
127.05444	1.3
128.06223	15.3
129.02052	0.5
129.07008	18.7
130.06516	3.9
130.09752	0.9
131.04919	9.8
131.08549	1.9
132.05713	62.8
133.06093	1.7
133.09235	1.0
133.10127	9.9
142.07785	1.2
143.04927	8.1
144.05714	0.9
145.06467	7.4
146.05994	1.3
146.07224	1.7
147.04378	1.6
147.08046	51.3
147.11691	2.5
148.08437	1.1
155.06026	1.9
157.04248	0.6
157.06470	2.3
157.07629	1.0
157.10144	1.7
158.09319	0.5
159.07938	0.5
160.05200	40.9
161.05597	1.8
169.02263	0.7
175.07542	100.0
175.11197	4.4
175.14812	8.0
175.18893	3.2
176.07991	3.9
176.10640	0.8
178.02823	1.6
185.38556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0866
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
55.05491	0.7
56.05030	0.8
56.96564	2.5
57.03424	0.6
58.02941	0.6
59.06113	1.0
60.04509	0.8
60.05651	5.8
61.02896	0.4
67.05492	0.5
68.05006	0.6
69.03422	0.8
70.06591	19.6
70.56318	1.0
70.56713	0.8
70.95844	0.8
71.04942	0.4
71.06108	0.3
72.08159	2.1
72.93774	1.2
74.06045	0.5
76.03988	0.6
80.04999	1.8
81.04569	0.5
81.07063	0.5
82.02946	3.0
84.04518	0.5
86.06065	0.7
87.04471	0.5
87.05569	0.7
87.91116	0.5
90.94806	1.0
91.04987	0.5
91.05471	3.3
92.90092	0.8
94.06564	4.2
95.04945	0.9
97.02910	0.8
98.03713	0.5
98.97595	1.4
98.98460	13.2
103.05467	3.9
104.04976	3.0
105.07012	1.3
106.06548	0.6
108.04459	1.7
108.95811	0.5
110.05935	0.4
110.18290	0.4
112.00853	0.4
112.08723	0.9
113.96397	0.4
115.05441	1.5
116.07095	6.0
116.97234	2.8
116.98624	1.4
116.99516	0.9
117.05705	0.8
118.06577	2.4
119.01894	1.0
119.04923	1.3
119.08563	3.0
120.08072	1.5
128.04967	0.6
129.05421	0.8
130.06522	100.0
130.09705	2.9
131.04948	3.2
131.05891	0.7
131.06892	2.2
131.97403	0.6
132.04448	60.5
132.06671	1.3
132.95822	1.3
132.96913	0.8
133.03441	0.6
133.04944	1.4
133.06133	1.1
133.07581	1.0
133.10100	2.1
134.05998	1.7
134.99654	2.5
135.07890	0.7
140.04927	0.4
146.05998	9.9
147.04478	2.2
147.06384	4.1
147.08063	0.8
147.09169	1.8
147.11697	0.6
148.03891	0.7
148.07573	7.0
150.96843	3.0
150.97884	0.5
151.93831	1.0
151.97063	1.9
152.96954	0.8
156.06824	1.4
157.06493	0.9
157.07610	30.2
158.06006	79.2
158.09280	1.6
159.06358	2.4
173.04401	0.5
175.04544	0.6
175.05940	2.8
175.08678	26.6
175.12085	4.2
175.14821	1.2
176.03371	0.5
176.07068	4.0
176.09087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03940	0.8
55.01859	0.7
55.05512	1.2
57.49529	0.3
65.03955	0.4
67.05508	1.2
69.03444	0.4
69.07074	3.4
69.62026	1.5
69.62466	1.2
70.06599	0.5
73.29953	0.3
77.69244	0.3
79.05501	1.8
81.07052	3.2
83.08620	0.9
91.05480	37.3
92.05811	0.7
93.07038	1.9
95.04967	0.6
95.08625	1.3
98.20745	0.8
98.98464	3.2
103.05472	2.7
105.07027	13.6
107.04953	0.8
107.08585	1.9
108.88858	0.4
115.05450	3.5
116.06242	7.6
117.07040	3.0
119.04906	0.7
119.08579	21.1
121.06508	8.0
121.10211	0.5
127.05374	0.7
128.06223	23.0
129.07005	100.0
130.07401	3.3
131.08565	37.1
132.05690	0.7
132.08904	1.0
132.50745	0.3
133.06482	1.5
133.09274	0.8
133.10129	15.6
142.07776	1.5
145.06485	5.1
145.10132	1.3
147.08046	15.7
147.11725	3.5
148.08459	0.9
150.76869	0.4
155.06041	2.6
157.06487	8.9
157.07698	0.8
157.10083	2.3
160.05186	0.4
160.12459	0.5
175.07549	24.7
175.11179	7.7
175.14856	13.5
175.16014	0.3
176.07895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02388	0.4
53.03936	0.5
55.01869	1.1
55.05503	0.6
56.96556	0.8
58.56136	0.4
65.03947	0.5
67.05503	1.6
69.03446	0.3
69.07067	1.0
69.66090	2.6
70.06574	0.5
73.60896	0.4
79.05496	2.3
81.07050	3.2
91.05477	35.6
92.05817	1.6
93.07035	2.5
95.04950	1.0
95.08615	2.7
98.20825	0.7
98.98465	6.0
100.02464	2.3
103.05462	3.2
104.06229	0.4
105.07024	10.1
107.04966	0.5
107.08595	1.3
115.01274	0.4
115.05438	3.2
116.06236	7.8
117.07034	3.0
118.03522	1.2
119.04945	1.0
119.07794	0.6
119.08572	12.2
121.06503	7.7
121.10245	0.6
127.05418	0.7
128.05246	0.9
128.06219	22.5
129.06999	100.0
130.07387	2.4
131.08560	33.8
132.05676	0.6
132.08899	1.4
133.06496	2.0
133.09232	0.5
133.10118	7.1
137.54971	0.7
141.03746	0.4
142.07764	0.9
143.08585	0.8
143.12624	0.4
145.06483	5.5
145.10115	0.8
147.04416	0.7
147.08044	16.1
147.11685	3.0
151.93994	0.6
152.05731	0.8
155.06012	2.7
157.04463	0.5
157.06480	10.0
157.07733	0.7
157.10115	1.7
161.06284	0.6
163.56645	0.4
172.57089	1.9
173.07164	0.9
175.03943	0.8
175.07536	24.5
175.11153	6.5
175.14871	8.2
176.07967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05507	1.5
55.93523	0.9
56.05044	1.6
56.05848	1.2
56.96567	6.7
57.03443	3.0
58.06601	45.8
58.55471	0.4
58.78313	0.3
59.04999	0.6
59.06124	1.5
59.07382	26.5
60.04522	2.2
60.05648	10.0
60.07709	0.5
60.08163	12.1
61.02925	0.8
63.62059	0.3
65.14694	0.3
67.05502	0.8
68.05027	1.6
69.03429	1.7
69.04552	0.4
69.07065	2.7
70.02960	0.5
70.04159	1.8
70.06594	27.7
70.95865	4.9
71.05006	0.7
71.15215	0.3
72.04515	1.7
72.08150	2.2
72.93793	11.9
72.96053	0.4
73.02921	2.8
73.06544	0.8
73.93846	1.2
73.94643	0.4
74.02453	0.4
74.06072	0.6
74.97623	0.5
75.05611	0.9
81.03435	0.5
81.07028	0.4
82.06580	1.1
83.05000	1.3
83.06108	0.7
83.97642	1.0
84.04520	2.5
84.05319	1.5
84.08157	1.4
84.95116	0.3
85.02918	1.5
85.04022	0.5
85.07685	0.3
86.06082	1.5
86.09702	0.6
87.04490	0.6
87.05591	1.5
87.10078	0.4
88.07676	0.4
88.96906	1.6
90.94825	6.3
91.05476	1.1
91.94880	0.7
96.04498	1.7
97.02899	1.8
97.06526	0.6
97.07652	0.5
98.06094	1.1
98.97592	1.5
98.98470	6.2
99.04440	0.4
99.05563	0.8
100.03986	1.0
100.07642	0.6
100.11254	0.5
101.06042	0.6
101.07171	0.4
102.05549	0.6
102.06348	0.9
102.53207	0.4
105.07085	0.4
108.95870	2.9
110.06077	0.8
111.04440	0.5
111.05593	0.7
111.53654	0.7
111.98454	2.3
112.04765	0.8
112.07629	0.8
112.08734	1.4
113.96370	0.5
113.98679	1.0
114.05516	4.5
115.03920	0.9
115.05048	0.6
115.08738	0.4
116.07099	8.3
116.98650	1.9
117.06607	0.5
118.06534	1.0
119.01873	0.7
119.04952	0.4
119.08586	0.8
126.06634	1.5
128.03488	0.4
128.07103	1.8
128.10716	4.7
129.05397	0.6
129.10233	0.5
129.11093	0.5
129.99492	1.8
130.05818	1.1
130.08655	1.2
130.09773	3.3
131.04988	0.4
131.97437	2.0
131.99690	4.5
132.06544	0.8
132.08104	1.0
132.95840	10.0
133.06102	0.8
133.10110	0.3
134.99657	1.7
137.02975	0.4
137.15460	0.3
138.54085	0.6
146.06017	1.7
146.08142	1.6
146.99669	0.8
147.04391	0.9
148.02843	1.0
148.06169	0.7
149.96097	2.3
149.97319	0.5
149.98459	2.0
150.00740	5.6
150.96896	35.1
155.97401	2.0
156.07513	1.7
157.09740	0.5
158.09248	2.1
159.10425	0.6
167.97157	2.2
168.01776	0.8
168.98016	2.5
173.98499	4.1
174.05516	1.0
174.07381	2.7
174.08904	1.1
174.14896	100.0
175.07230	2.3
175.11952	6.3
175.15178	3.5
186.04451	0.5
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
52.13350	0.3
54.39757	0.3
55.05512	3.3
56.96570	2.3
57.03437	0.6
59.05000	0.6
65.00890	0.3
67.05516	2.2
69.07051	0.3
69.34461	0.3
70.85039	0.3
70.85359	0.6
71.08634	0.5
72.93781	2.4
79.05483	0.7
81.07052	1.3
83.04982	3.1
86.92995	0.3
90.94820	2.3
91.04900	0.5
91.05481	9.2
93.07079	0.5
101.06032	1.7
103.05435	0.7
105.07036	4.5
107.08590	0.4
108.95856	0.5
109.10155	1.4
109.10821	0.3
111.04452	2.9
113.06046	0.4
113.14267	0.4
113.96386	0.3
115.05461	1.1
116.03120	0.4
116.06242	2.1
117.07021	11.8
118.06523	0.4
119.08585	2.3
127.07518	0.4
129.05458	1.0
129.07018	4.6
130.07758	0.7
131.08568	100.0
132.08900	2.5
133.10214	0.4
135.03859	0.6
140.03038	0.3
143.08604	2.2
144.05617	0.4
144.09348	2.8
145.06506	0.6
145.10126	10.5
149.96100	0.6
150.96892	0.5
155.07037	2.2
155.08597	0.5
156.06227	0.7
158.10965	1.9
167.97157	1.0
171.11678	0.3
173.05894	0.7
173.08141	2.4
173.09616	1.3
173.13266	28.0
174.13680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1125
Annotation	Hyacinthacine A1
Peak:m/z	Relative Intensity
53.03951	2.8
55.01872	1.9
55.05505	14.2
56.05014	4.0
56.05827	3.0
56.96543	5.3
57.03436	11.4
57.07098	1.9
58.85254	1.5
60.83141	1.6
67.05502	17.6
68.05022	23.5
69.03418	4.5
69.07065	38.7
69.73314	1.6
69.78886	1.7
70.02934	4.4
70.06243	2.8
70.06593	36.3
70.66898	5.7
71.01358	22.9
71.04993	96.4
72.04506	4.1
72.09014	1.5
72.93774	6.1
79.05495	5.6
81.05783	4.1
81.07055	10.1
82.06579	18.0
83.04951	2.3
83.08608	6.1
84.04503	3.0
84.05280	2.8
84.08146	5.5
85.02906	1.8
85.06528	3.6
86.02422	2.9
86.06041	2.1
86.09705	100.0
87.09991	1.5
88.03992	11.6
88.07625	3.2
89.01960	1.6
89.02396	16.6
90.94820	4.8
91.05055	1.6
91.05489	16.0
92.05776	2.0
93.07034	9.1
95.04960	11.4
95.08611	8.6
96.04499	4.2
96.06523	1.7
96.08138	24.7
97.02898	2.6
97.06506	5.0
98.06050	20.5
98.98466	11.0
102.06291	1.9
103.05427	1.9
105.07024	23.7
106.07328	2.0
107.08585	6.8
108.95873	2.2
109.23616	1.5
110.05233	1.6
110.06013	4.9
110.09676	88.4
111.04473	1.7
112.04766	2.9
112.07606	30.1
112.11253	2.6
113.06004	31.3
114.05555	16.5
114.06286	3.4
114.09159	31.5
115.03928	2.6
116.03031	1.8
116.07076	5.6
117.06984	4.8
118.06556	3.1
118.07331	2.1
119.08582	49.5
120.08127	2.2
120.08924	2.0
129.07010	3.6
130.05775	2.2
130.07343	3.2
130.08635	15.1
131.07014	1.9
131.08559	15.7
132.08054	3.6
132.08899	27.0
132.95818	6.1
133.10124	63.0
138.09126	38.6
139.09456	2.3
142.07835	1.9
144.05702	2.9
144.08936	1.7
145.10077	3.8
146.05994	5.5
146.08130	3.3
146.10445	6.9
147.11650	11.8
150.96870	18.6
156.07498	2.1
156.10199	53.8
159.08058	27.8
159.11275	3.6
173.13155	1.9
173.47078	1.7
173.98508	2.9
174.05489	2.7
174.07529	3.3
174.11386	36.4
174.13766	16.3
175.07468	2.8
175.11176	6.0
175.14827	52.5
190.09555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01870	2.3
55.05511	16.3
56.05037	2.1
56.96567	0.5
57.03437	1.7
57.07075	2.7
59.04982	0.8
60.05651	0.5
60.81754	0.4
67.05505	4.4
69.03410	0.6
69.07069	35.8
70.06596	1.2
70.65480	1.6
71.04995	0.8
71.08643	0.5
72.93801	0.8
73.06555	1.9
79.05489	5.7
81.07053	7.9
83.04979	4.6
83.08602	1.0
85.16150	0.4
86.06046	0.6
87.04494	0.9
91.05468	1.0
93.07044	14.1
93.07626	0.7
95.08040	0.7
95.08609	8.7
97.02888	0.4
97.06531	6.5
97.10171	11.1
98.98458	1.1
100.07604	0.6
101.05997	1.0
105.28255	0.4
111.11720	2.8
115.11163	0.7
118.06581	0.6
121.10144	9.4
132.95821	1.1
138.12764	1.9
139.11189	5.0
146.06030	0.7
150.96892	2.5
156.13840	100.0
157.14223	3.5
174.05479	0.7
174.07602	0.6
174.14897	28.0
175.15152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.13350	0.3
54.39757	0.3
55.05512	3.3
56.96570	2.3
57.03437	0.6
59.05000	0.6
65.00890	0.3
67.05516	2.2
69.07051	0.3
69.34461	0.3
70.85039	0.3
70.85359	0.6
71.08634	0.5
72.93781	2.4
79.05483	0.7
81.07052	1.3
83.04982	3.1
86.92995	0.3
90.94820	2.3
91.04900	0.5
91.05481	9.2
93.07079	0.5
101.06032	1.7
103.05435	0.7
105.07036	4.5
107.08590	0.4
108.95856	0.5
109.10155	1.4
109.10821	0.3
111.04452	2.9
113.06046	0.4
113.14267	0.4
113.96386	0.3
115.05461	1.1
116.03120	0.4
116.06242	2.1
117.07021	11.8
118.06523	0.4
119.08585	2.3
127.07518	0.4
129.05458	1.0
129.07018	4.6
130.07758	0.7
131.08568	100.0
132.08900	2.5
133.10214	0.4
135.03859	0.6
140.03038	0.3
143.08604	2.2
144.05617	0.4
144.09348	2.8
145.06506	0.6
145.10126	10.5
149.96100	0.6
150.96892	0.5
155.07037	2.2
155.08597	0.5
156.06227	0.7
158.10965	1.9
167.97157	1.0
171.11678	0.3
173.05894	0.7
173.08141	2.4
173.09616	1.3
173.13266	28.0
174.13680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.28814	0.3
55.05507	2.0
56.96561	0.4
57.50315	0.2
59.05000	0.4
62.26087	0.2
65.03954	0.3
67.05504	0.8
70.64682	0.9
72.93784	1.6
77.03947	0.3
79.05498	0.5
81.07063	1.4
83.04977	1.3
83.14736	0.3
84.32336	0.2
85.06543	0.3
90.94830	0.8
91.05476	8.8
91.66885	0.2
93.07036	0.4
101.06003	1.2
103.05465	0.4
105.07030	5.2
108.95881	0.4
111.04437	1.5
115.05481	1.6
115.13316	0.2
116.06242	2.7
117.07018	10.6
117.07851	0.5
119.08575	4.5
120.08921	0.3
128.06206	0.9
129.05457	0.7
129.06996	5.9
130.07793	1.5
131.00197	0.3
131.08563	100.0
132.08894	2.3
133.06454	0.2
133.10118	0.7
142.07787	0.4
143.08551	5.8
144.09352	3.9
145.10121	14.0
146.10425	0.4
149.01192	0.3
149.96054	0.3
155.07014	1.1
156.09361	0.6
157.10098	0.3
158.10904	8.4
159.11351	0.3
167.97139	0.5
171.11668	0.8
173.02361	0.3
173.08374	1.5
173.09770	0.9
173.13254	43.8
174.13628	1.6
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
53.03938	0.4
53.76028	0.2
54.40458	0.2
55.05508	3.6
56.96560	1.0
57.07077	0.3
59.05007	0.9
65.03941	0.2
66.30909	0.2
66.92213	0.2
67.05502	0.8
69.88953	1.0
69.89361	0.4
72.93785	3.2
79.05488	1.1
79.95732	0.2
81.07048	1.5
83.04988	3.4
85.06569	0.2
90.94833	2.8
91.05481	9.6
93.07027	0.6
101.06013	2.0
103.05458	0.6
105.07024	6.9
108.95863	1.0
111.04441	3.5
112.99181	0.3
113.06010	0.3
113.96391	0.3
115.05440	1.3
116.06216	2.1
117.07018	9.9
117.07845	0.5
119.08579	5.1
127.07525	0.3
128.06227	0.9
129.05534	1.4
129.06998	6.8
130.07796	1.3
131.00175	0.8
131.08565	100.0
132.08905	2.7
133.06557	0.2
133.10130	0.9
143.08554	6.8
144.09344	4.2
145.06461	0.5
145.10120	15.3
146.10510	0.5
149.01202	0.7
149.96130	0.9
150.96904	0.5
155.07034	2.2
155.08556	0.7
156.09351	0.9
157.10072	0.3
158.07307	0.3
158.10913	10.0
159.11121	0.3
161.34238	0.2
167.97134	1.2
171.11707	0.9
173.08109	3.3
173.09634	1.3
173.13260	47.0
174.13637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03953	0.5
55.05510	7.6
57.07085	2.0
59.04998	1.2
61.01166	0.4
67.05508	3.5
69.07075	0.8
71.40762	0.7
72.93779	1.4
79.05486	3.7
81.07052	3.9
83.04984	7.4
85.06568	0.3
87.04462	0.6
89.02363	0.5
90.94838	1.1
91.05479	15.8
93.07039	2.8
95.04980	0.8
95.08614	1.6
98.98442	0.9
101.06010	4.9
103.05485	0.9
105.07031	10.7
105.50647	0.4
107.08575	1.2
108.95863	0.6
111.04436	5.5
113.05983	0.7
115.05470	1.5
116.06242	2.9
117.07017	16.0
119.08579	5.7
127.07516	1.0
128.06236	0.7
129.05499	5.2
129.06996	6.7
130.07779	2.8
131.08565	100.0
132.08836	2.9
133.10100	0.5
143.08559	3.4
144.09346	2.6
145.06519	0.7
145.10118	19.9
146.10490	0.8
155.07036	5.4
155.08267	0.6
158.07266	0.8
158.10927	4.3
167.97171	0.5
171.11676	1.0
173.08160	7.4
173.09727	2.1
173.13260	73.0
174.13773	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03947	0.6
55.05509	7.1
56.96563	2.0
57.07097	0.3
59.04999	0.8
65.03944	0.7
67.05496	2.7
69.03425	0.7
69.63441	2.3
69.63854	0.6
72.93786	8.4
77.57655	0.4
79.05504	1.2
81.07048	2.4
83.04975	7.3
87.04467	0.7
89.02408	0.5
90.94838	4.8
91.05479	9.9
93.07018	1.3
98.97599	0.8
99.04492	0.5
101.06009	4.8
103.05495	0.6
105.07027	9.1
108.95884	2.0
110.66559	0.4
111.04433	7.5
111.09201	0.4
112.99116	0.5
113.05970	0.6
113.96393	1.0
115.05459	1.6
116.06228	1.7
116.98675	0.5
117.07018	4.7
118.06545	1.1
119.08572	13.1
120.08905	0.5
127.07609	1.2
128.06213	1.7
129.05507	3.6
129.06995	7.8
129.07912	0.7
130.07797	2.5
130.68636	0.5
131.00171	1.5
131.08563	63.3
132.08908	1.4
132.95787	0.7
133.10115	2.7
139.38203	0.4
141.06976	0.6
142.07745	1.6
143.08551	22.5
144.09355	7.8
145.06526	0.6
145.10121	26.9
146.05989	1.5
146.10474	0.5
149.01231	2.3
149.96074	2.4
150.96919	1.2
155.07050	4.9
155.08498	0.7
156.09357	2.0
157.10095	1.4
158.07329	0.8
158.10905	35.7
159.11214	0.9
167.97134	3.3
171.11647	3.0
173.08115	6.8
173.13252	100.0
174.10344	0.5
174.13646	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03925	0.6
55.01866	0.7
55.05511	20.1
55.93513	0.7
56.05023	0.5
56.96567	2.9
57.03429	1.5
57.07052	0.6
59.05009	3.0
60.04516	1.1
65.03923	0.5
67.05502	3.9
67.30210	0.4
69.03439	1.1
69.07075	0.7
70.06599	1.1
70.88596	0.9
70.95868	1.2
71.93006	0.6
72.08162	1.0
72.93789	26.5
73.02911	0.6
73.93835	0.5
79.05497	3.0
81.07049	3.4
83.04980	21.8
84.05322	0.5
85.02909	0.7
85.06565	0.7
86.09708	2.2
87.04456	1.8
87.05583	1.6
89.02399	1.2
89.94038	0.6
90.90384	1.7
90.94829	21.3
91.05481	14.4
93.07037	1.8
95.08592	0.9
96.04467	0.5
97.02881	0.7
98.97530	0.6
99.04455	1.5
101.06017	15.4
103.03291	0.6
103.05479	1.0
105.07033	12.3
107.95060	0.6
108.95869	9.5
111.04443	19.5
111.44643	0.5
113.06010	2.7
113.07152	0.7
113.96394	3.0
114.05508	0.5
115.05450	3.3
115.08747	0.5
116.05034	0.7
116.06271	3.3
116.98608	0.5
117.05309	1.0
117.07017	8.5
118.06547	1.2
119.01775	0.6
119.08583	14.6
125.96114	0.8
126.06782	0.5
127.07565	2.8
128.06213	2.1
128.07018	0.4
128.10735	1.2
129.05493	13.0
129.06984	9.8
130.06592	1.0
130.07767	3.6
131.00166	0.9
131.08568	91.3
131.97424	3.1
131.99718	0.7
132.08900	1.7
132.95840	1.9
133.10118	2.9
141.06969	0.7
142.07761	1.5
143.08562	20.9
144.09361	8.8
145.06477	3.0
145.07643	1.3
145.10127	29.5
146.06032	2.7
146.10416	0.5
149.01288	1.2
149.94066	1.2
149.96107	6.5
149.97273	0.8
150.96909	7.3
155.07037	15.0
155.08356	1.0
156.09286	1.4
157.10103	0.8
158.07310	1.2
158.10910	33.5
159.11253	0.6
167.97173	12.0
168.97876	0.6
171.11742	2.2
172.97679	0.8
173.04303	1.2
173.05856	1.5
173.08170	20.4
173.09627	3.1
173.13263	100.0
173.98419	0.8
174.05457	0.6
174.07587	0.5
174.13716	2.7
191.83122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.73394	0.8
53.03932	1.6
55.01847	1.4
55.05511	33.8
55.93519	1.4
56.96568	6.7
57.03427	2.4
57.07073	2.8
59.04994	6.0
64.40528	1.1
67.05487	4.5
69.03433	1.7
70.72455	3.5
72.93789	41.0
79.05489	3.0
81.03409	1.5
81.07051	4.0
83.04979	35.6
85.06529	1.7
87.04463	2.4
89.02378	2.9
90.90390	8.2
90.94830	29.9
91.05475	14.7
93.07037	2.4
99.04423	2.0
101.06020	27.8
102.09180	1.8
103.05428	2.1
105.07034	14.9
107.95116	1.2
108.95860	15.4
111.04445	31.6
113.05968	3.0
113.96416	7.9
115.05436	3.2
116.06233	3.4
116.98618	1.4
117.07011	11.5
118.06555	1.7
119.08577	13.9
127.07539	4.3
128.06244	2.5
129.05479	22.1
129.06979	12.1
130.07813	5.8
131.00127	2.2
131.08566	93.3
131.97427	4.3
132.08018	1.1
132.95845	2.1
133.10112	3.4
134.99672	1.5
142.07680	1.0
143.08553	22.9
144.09380	7.4
145.06461	2.2
145.07610	1.4
145.10133	33.2
146.08110	1.3
149.01201	4.4
149.94077	6.6
149.96104	10.0
150.96872	4.8
155.07030	27.4
155.08414	2.5
158.07269	6.0
158.10927	33.2
159.08041	1.6
167.02382	1.2
167.95061	1.8
167.97165	16.2
171.11694	2.9
172.95638	1.2
173.02353	4.1
173.05843	2.3
173.08110	36.2
173.09630	22.4
173.13258	100.0
173.17311	6.3
174.13680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.46505	0.5
55.05512	12.7
55.93530	0.6
56.51494	0.6
56.96564	2.2
57.03441	1.0
57.07069	0.7
58.99083	0.5
59.05003	2.0
62.03545	0.5
67.05502	2.7
67.28449	0.5
69.03423	0.7
69.78526	2.9
72.93790	9.9
79.05496	1.3
81.07062	2.2
83.04980	12.6
87.04469	1.0
90.90383	2.6
90.94818	6.8
91.05480	9.9
93.07027	0.9
95.04956	0.5
98.20710	0.5
98.76192	0.5
101.06020	7.6
105.07032	13.0
107.08565	0.5
107.95074	0.5
108.95857	4.1
111.04442	9.7
113.05996	1.2
113.96442	1.2
115.05444	2.1
116.06257	2.6
117.07021	7.9
118.06531	0.6
119.08576	11.6
125.96095	0.5
127.07575	1.4
128.06168	2.7
129.05513	6.6
129.06995	10.5
130.06477	0.5
130.06889	0.5
130.07813	4.3
131.08565	83.1
131.93016	0.8
131.97386	1.2
132.08871	2.8
133.06584	0.5
133.10132	2.7
142.07756	1.7
143.08556	24.2
144.09346	6.7
145.06529	0.8
145.10120	28.6
146.05951	0.5
146.10464	0.9
146.87819	0.5
149.94095	2.6
149.96078	2.7
150.96864	1.4
155.07024	8.3
155.08502	1.5
156.09315	1.3
157.10106	2.2
158.07373	2.4
158.10915	38.9
159.11584	2.1
161.64212	0.5
167.97171	4.5
171.11690	1.7
172.97801	0.9
173.02397	1.1
173.08101	11.5
173.09639	7.5
173.13257	100.0
173.17249	3.0
174.05519	0.6
174.13666	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01481	0.2
54.99554	0.1
55.05514	2.2
56.96561	1.7
57.03426	0.2
57.07066	0.2
59.05006	0.4
62.14633	0.1
63.02388	0.2
65.03932	0.3
67.05495	0.4
69.03426	0.2
69.23138	0.2
69.68394	0.4
69.68801	0.7
70.06597	0.3
71.93023	0.2
72.04507	0.3
72.93787	3.9
73.02921	0.2
74.06078	0.2
79.05514	0.1
81.03394	0.3
81.07056	0.4
83.04987	2.2
84.04504	0.2
84.08118	0.2
85.02917	0.2
86.03720	0.2
86.06074	0.2
86.09709	0.2
87.04463	0.2
88.56091	0.1
89.02416	0.2
89.03915	4.2
90.01568	0.2
90.90401	0.2
90.94824	3.6
91.05477	1.2
93.07076	0.2
95.04929	0.2
96.01540	0.2
98.06052	0.2
98.49277	0.2
98.97565	0.4
100.02464	0.2
101.06030	1.8
103.72219	0.1
105.07048	0.4
107.95049	0.2
108.95864	1.7
109.06493	0.2
109.10174	0.2
110.01321	0.3
110.14626	0.2
111.04438	1.6
112.07551	0.2
113.05976	0.3
113.96388	0.4
115.05466	0.5
116.04979	100.0
116.98628	0.4
117.05311	2.2
117.07031	0.4
119.01833	0.8
119.02576	0.2
125.96127	0.4
126.05545	0.2
126.09098	0.3
127.03979	0.2
127.07521	0.3
128.02303	0.3
129.05496	1.5
129.06461	0.2
129.06984	0.5
130.07646	0.1
130.52603	0.4
131.08585	0.9
131.97447	0.5
134.06012	2.1
134.99673	0.5
137.02400	0.6
142.07368	0.2
143.08531	0.8
144.04460	6.9
144.05586	0.4
144.07974	0.2
144.08905	1.1
145.04738	0.2
145.06490	0.3
145.10127	0.6
148.53552	0.3
148.97638	0.5
149.01254	0.4
149.96140	1.1
154.08702	0.2
155.07047	1.9
155.08308	0.3
156.09380	0.2
157.06493	0.2
157.07651	0.6
157.09685	0.9
158.07304	0.2
158.10918	0.4
162.05513	0.9
167.97159	1.9
171.04408	0.2
171.08012	0.3
172.03935	59.6
172.12170	1.1
172.15224	0.2
172.16919	0.3
173.04324	2.1
173.05872	0.3
173.08139	2.0
173.09505	0.3
173.13242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.87759	0.6
53.03942	0.8
55.05508	3.7
55.17423	0.7
56.96547	3.0
63.29524	0.8
71.03117	1.4
71.03464	1.1
79.05476	3.0
81.07050	0.8
90.54173	0.6
91.05473	2.9
94.89935	0.6
95.04951	0.9
97.44046	0.7
99.40734	0.6
103.05434	1.6
105.07039	4.7
115.05447	15.9
117.07027	3.5
128.06218	37.6
129.07007	33.3
130.07777	4.8
131.08574	1.6
134.03064	0.9
141.06972	18.9
142.07773	22.1
143.08556	85.1
144.08870	2.0
145.06497	2.8
149.21310	0.6
153.06938	1.0
155.05334	1.1
155.08534	5.9
156.09337	76.9
157.09682	1.7
157.25552	0.8
169.10118	1.7
171.11682	100.0
172.11981	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03955	0.7
55.01884	0.6
55.05503	5.3
56.96564	2.8
67.05517	1.0
69.07082	1.7
70.50841	1.6
70.51236	1.1
70.94268	1.6
71.04991	0.9
72.04517	6.3
79.05476	3.7
81.07063	1.6
83.06118	0.7
83.08629	1.7
85.02876	0.6
88.95314	0.8
89.07150	4.4
91.05479	4.1
93.07053	2.1
95.04971	1.0
95.08618	2.1
97.06546	2.0
98.21459	0.6
98.97617	1.5
103.05480	1.4
105.07028	5.1
107.08604	1.4
109.10167	0.7
111.04431	0.7
115.05455	16.8
117.07013	3.2
125.05971	0.6
128.06218	33.6
129.07005	34.1
130.07805	3.8
131.08559	2.4
135.11690	0.6
139.03885	0.8
141.06982	20.5
142.07779	18.7
143.08557	76.9
144.08904	3.3
145.06473	2.3
147.39650	0.6
153.12689	1.0
154.07744	1.0
155.06046	2.3
155.08510	4.2
156.09340	71.7
157.09712	2.6
169.10187	1.2
171.08069	2.5
171.11681	100.0
172.12093	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03943	0.3
55.05509	2.6
57.26303	0.3
63.02386	0.2
70.30237	1.1
75.23519	0.3
77.07288	0.2
79.05482	2.7
79.05825	0.2
81.07081	0.6
91.05479	3.7
95.04966	0.7
98.21406	0.4
99.65118	0.2
103.05467	1.0
105.07025	4.8
105.07679	0.4
107.90482	0.3
115.05447	16.9
116.05730	0.3
117.07001	2.5
118.21274	0.3
124.24747	0.2
127.05451	0.6
127.25049	0.3
128.06218	33.6
129.07008	33.8
130.07817	4.5
131.05000	0.2
131.08533	0.9
141.06979	19.1
142.07777	18.8
142.08936	0.5
143.08553	79.6
144.08868	2.6
145.06474	3.2
153.06941	0.9
154.07745	1.2
155.06027	1.6
155.08542	5.5
156.09338	71.5
157.09689	2.8
167.58922	0.3
169.10124	1.6
170.10818	0.4
171.11678	100.0
172.12035	3.6
173.09776	0.3
180.39075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62109	0.6
53.03939	0.8
55.05516	3.4
63.00635	0.6
69.26232	6.5
72.04530	0.6
79.05498	2.5
80.88858	0.6
89.43277	0.5
91.05478	3.9
95.04945	0.9
103.05468	0.7
105.07027	4.6
115.05452	16.7
116.16550	0.6
117.07016	3.3
128.06227	37.0
129.07013	36.8
130.07867	3.6
131.08560	1.7
136.50211	0.5
138.61343	0.5
141.06146	0.4
141.06990	21.4
142.07788	18.9
143.08563	80.2
144.08896	2.3
145.06473	2.9
153.07030	0.9
154.07755	1.3
155.06038	2.2
155.08540	5.2
156.09351	71.3
157.09671	3.2
169.10106	1.9
171.11696	100.0
172.12027	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	171.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.03476	0.4
55.01873	1.9
55.05508	2.3
56.05031	2.1
56.96563	6.0
56.96840	0.3
57.03443	0.6
57.04556	0.3
58.06593	1.3
59.06134	0.6
60.04542	0.2
61.14045	0.2
62.96980	0.2
65.03948	0.2
67.05497	0.9
68.05030	2.2
68.99794	0.2
69.03426	0.5
69.04559	0.3
69.07072	0.7
70.06591	1.6
70.16199	0.3
70.16621	0.5
71.01349	0.2
71.04995	0.5
71.25709	0.2
71.95274	0.6
72.04515	2.1
72.08152	6.0
72.93799	0.2
73.02921	0.3
74.02447	0.6
74.06085	0.5
74.97637	0.2
79.05485	1.5
80.05030	0.6
81.03423	0.4
81.04485	0.2
81.05812	0.2
81.07056	6.0
82.06579	4.9
83.04992	0.6
83.06102	4.7
83.08612	1.7
84.04501	0.9
84.08141	6.9
84.96048	0.3
85.02911	0.5
85.06573	0.2
85.07658	0.9
86.06078	0.6
86.09706	0.6
87.04462	0.6
88.95269	0.3
89.07158	1.4
91.05479	1.0
93.05805	0.7
93.07022	0.2
94.06552	0.4
95.04984	0.4
95.06110	0.3
95.32695	0.2
96.04504	0.3
96.06859	0.3
96.08131	10.2
97.02907	0.3
97.06547	0.2
97.07668	0.6
97.08435	0.4
98.06045	0.2
98.09690	10.7
98.97579	1.9
100.03982	0.3
100.07626	0.4
107.06180	0.2
108.08115	13.1
109.02881	0.2
109.08437	0.3
110.07165	0.5
110.97610	0.9
111.00822	0.4
111.04469	0.5
111.05569	0.4
111.09200	0.6
112.03974	0.2
112.07602	0.7
113.07139	0.2
115.03988	0.2
115.05083	0.5
116.98617	2.3
119.01902	1.1
121.01733	0.3
125.10752	100.0
126.05571	0.4
126.09156	2.3
126.10073	0.2
126.10223	0.2
126.11123	2.4
127.08630	0.3
128.06247	0.3
128.07109	0.4
128.98619	1.8
129.06995	0.3
129.10257	0.7
130.08600	0.2
131.00195	0.2
134.99669	2.4
135.06354	1.9
136.06184	0.8
136.07640	0.2
137.02933	0.6
139.00264	2.3
139.03946	0.2
142.08707	0.2
142.96550	0.2
143.08548	0.9
143.11784	0.3
145.01585	0.2
145.03566	0.2
146.99655	3.7
147.96977	0.2
153.00714	0.4
153.07442	2.7
153.10242	0.4
154.08626	1.1
154.09723	0.3
156.09346	0.5
157.01335	3.3
161.01236	0.3
165.00703	0.6
165.97926	0.3
170.99706	0.2
171.02902	0.5
171.11279	34.8
171.14694	1.0
172.09642	1.4
172.11574	0.8
172.13048	0.2
187.00220	0.6
189.00725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01876	0.5
55.05506	6.1
56.96567	4.4
57.03449	1.8
57.07082	1.0
65.03949	0.8
67.01874	0.5
67.05505	1.2
68.99783	0.6
69.03422	0.8
69.07075	2.1
69.58575	1.5
69.58994	3.1
70.06608	1.2
70.94262	1.0
71.05002	1.3
72.04517	13.5
75.24043	0.5
79.05495	3.4
81.03426	1.5
81.07066	1.6
83.04992	1.4
83.08605	3.2
84.04517	0.9
85.02923	1.3
86.03693	0.5
86.06096	0.5
88.95309	0.8
89.07159	9.7
91.05483	3.3
93.07059	2.0
95.04968	1.2
95.08614	1.2
97.02931	0.6
97.06531	1.5
98.97585	0.7
99.04454	0.7
103.05480	1.1
105.07033	5.1
107.08598	1.2
109.02879	0.6
110.01228	0.6
111.04414	2.7
111.09215	0.9
112.05127	0.7
115.05450	14.5
116.98609	0.6
117.07008	3.5
119.01821	1.2
125.09654	0.7
126.05544	0.9
126.09129	0.6
127.03889	0.9
127.05376	0.6
127.65728	0.5
128.02370	1.0
128.06221	33.2
128.98592	0.5
129.07007	32.2
130.07874	4.6
130.52621	0.6
131.08571	1.8
134.99670	0.9
135.11699	0.8
139.03899	2.1
139.53113	0.9
141.06981	17.7
142.07785	17.1
142.08585	0.4
143.06107	1.6
143.08554	77.7
144.08893	2.7
145.06480	2.0
146.99669	1.2
149.01277	0.5
153.01826	2.1
155.06024	1.6
155.08577	5.3
156.09341	71.5
157.09697	3.2
165.97711	0.7
169.10138	1.3
171.02969	3.8
171.05527	2.0
171.08029	8.0
171.11678	100.0
172.06082	0.8
172.12138	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	170.1176
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
53.03931	2.6
54.03467	3.4
55.01855	6.1
55.05268	2.5
55.05513	40.9
55.93517	3.4
56.05033	9.8
56.79501	1.6
56.96568	27.1
57.03428	2.5
57.07063	2.7
58.06578	4.9
59.04979	2.0
59.06114	4.7
60.04511	4.9
60.48997	1.4
63.39852	1.5
65.03922	3.4
67.05486	6.4
68.05025	8.8
68.05809	1.7
69.03413	6.5
69.07074	15.4
70.06590	16.9
70.40667	4.6
70.94268	9.4
70.95831	1.5
71.04972	3.5
72.04514	14.0
72.08179	7.4
72.93775	6.3
73.02917	2.4
74.02446	3.3
74.06062	1.9
75.05602	1.9
79.05477	7.0
80.04995	4.9
81.03409	5.0
81.04527	2.9
81.05784	2.7
81.07063	7.8
82.03726	1.9
82.05347	1.8
82.06571	12.1
82.07422	1.5
83.04964	4.8
83.06105	10.0
83.08620	65.5
84.04489	9.8
84.05598	1.9
84.08132	5.2
84.08975	1.4
85.02883	4.1
85.04015	2.7
85.06535	1.8
85.07648	4.2
86.06055	6.4
86.09696	10.0
87.04473	2.2
88.07634	2.5
88.95268	4.6
89.07146	7.5
90.94809	4.4
92.04986	6.5
93.05785	6.2
93.07021	1.8
94.06536	5.6
95.04933	3.1
95.06084	7.1
95.08587	6.5
96.04470	4.8
96.06863	2.1
96.08121	13.3
97.02883	3.8
97.03992	2.8
97.06546	3.1
97.07633	6.8
97.10172	38.6
98.02452	1.3
98.06024	4.6
98.07178	2.4
98.09696	13.3
98.97554	3.9
99.04456	1.9
99.05568	5.2
99.09225	2.2
100.03934	2.6
100.07632	4.0
106.06542	3.5
106.96298	3.7
106.97963	1.4
107.04936	2.0
107.06078	2.2
107.08583	6.9
108.04491	1.9
108.08101	3.1
109.02870	3.0
109.06500	1.7
109.07651	9.4
109.10141	2.3
110.03197	4.3
110.06034	13.2
110.07166	5.2
110.97573	2.3
111.00770	1.6
111.04454	7.6
111.05561	5.7
111.09223	7.5
112.01145	2.7
112.07623	2.5
112.09478	1.8
113.07143	2.2
114.05520	4.7
116.02272	1.4
116.98624	6.9
119.01837	2.2
121.02859	3.0
122.07102	2.0
123.09181	1.8
124.03942	2.9
124.04938	1.8
124.07579	17.2
124.08653	4.0
124.11230	82.2
125.02354	3.0
125.06015	2.9
125.07099	5.9
125.10728	3.3
125.11558	2.7
126.05492	2.7
126.06454	1.9
126.09097	2.0
127.03426	2.9
127.08656	5.2
128.07074	4.4
128.08209	2.3
128.95108	2.4
128.98627	7.8
129.06607	2.0
131.32315	1.5
134.06007	5.2
134.06973	1.5
134.99670	7.9
135.05504	2.5
138.54115	2.9
139.03909	3.6
139.92421	1.6
141.05482	1.7
142.05800	10.0
142.08606	8.1
142.12238	2.7
143.08325	2.5
146.96120	4.9
146.97287	3.2
146.99643	20.0
147.01405	2.5
147.54602	1.6
147.96892	9.6
152.07114	10.7
152.08170	3.0
152.10640	2.1
153.01767	2.6
153.06609	2.0
153.10202	3.6
157.01305	4.9
164.98369	2.2
165.00693	6.4
165.97969	9.7
170.04405	16.2
170.05669	2.4
170.08087	16.4
170.09492	19.6
170.11749	100.0
171.09973	2.7
171.12386	2.6
171.14926	5.2
189.00674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01872	100.0
55.05511	2.7
55.26423	0.4
56.02205	0.7
56.05019	0.4
56.96557	2.2
57.03450	0.4
57.07087	0.4
58.00206	0.3
59.06126	0.6
65.03951	2.1
66.94907	0.4
67.05505	10.5
67.39452	0.3
68.05032	0.7
68.05809	0.4
68.99795	1.6
69.03436	1.2
69.07067	28.0
70.06604	0.7
70.07392	0.4
70.73837	1.3
71.04980	0.9
77.13268	0.3
79.05491	8.7
81.03421	5.0
81.07056	8.0
82.06580	0.4
83.04993	1.0
83.06104	1.1
83.08630	0.4
84.08140	0.4
85.02917	0.6
85.06557	0.6
86.08473	0.7
91.05476	7.3
91.06001	0.5
93.07053	2.7
94.06519	0.4
95.04967	3.2
95.08604	50.2
96.08945	1.0
97.02908	0.9
97.06531	11.8
97.07132	0.6
98.03693	0.9
99.04467	1.3
105.07027	10.8
107.04936	1.9
107.08593	8.7
109.02879	7.7
109.06512	16.4
109.07653	0.9
109.10163	1.0
110.06120	0.6
110.07133	1.2
111.00804	6.3
111.03818	0.8
111.04477	2.1
111.05592	0.5
111.08092	1.2
111.09228	2.4
113.06027	0.6
115.05489	0.7
118.94358	0.4
119.06105	1.0
123.04481	0.9
123.08070	15.4
123.11744	0.9
124.01558	0.5
124.04696	0.7
124.07639	0.7
124.08652	0.6
125.02812	0.5
125.06042	0.7
126.03130	8.4
126.10237	0.5
127.03945	0.9
127.07571	0.9
128.95067	0.5
130.06551	1.0
133.05180	0.5
133.06485	2.1
134.52878	0.6
139.02473	0.8
141.05463	20.1
141.07098	0.9
142.05812	0.5
146.53769	1.3
146.96150	0.8
151.03934	1.1
151.07538	7.2
151.08618	0.6
152.08203	0.5
154.02634	1.0
154.07777	1.0
155.03403	0.5
155.54280	1.0
163.97855	0.6
169.05019	7.4
169.06432	1.9
169.08653	6.7
169.10010	1.1
170.08200	0.6
170.09703	1.1
181.98796	0.5
182.77805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03925	1.7
55.01871	7.7
55.05510	18.8
56.96561	3.2
57.03420	1.6
57.07061	1.9
59.04983	2.4
59.61632	0.5
63.01086	0.6
63.23812	0.6
65.03935	1.6
67.05504	27.9
67.05872	1.3
68.05827	0.5
68.99786	1.3
69.03414	0.7
69.07063	5.6
70.41801	2.3
71.01357	6.2
71.04993	8.4
79.05057	0.9
79.05490	15.7
81.03424	3.0
81.07055	44.8
82.07391	1.1
83.04996	3.0
83.08136	0.7
83.08617	10.1
85.02927	0.8
85.06528	2.1
91.05479	14.2
93.07040	5.6
95.04948	3.2
95.08595	6.7
97.06538	0.9
97.10165	1.2
98.20880	0.6
99.04427	0.9
105.07029	10.2
107.08588	7.3
109.02874	4.6
109.06519	3.8
109.10172	4.9
110.06055	0.8
111.00808	2.5
111.03791	0.7
111.04440	2.0
111.08073	1.6
111.61168	0.6
113.00005	2.3
113.06015	0.9
119.05949	0.7
123.08076	1.0
123.09219	0.8
123.11699	6.6
124.04663	1.2
124.07601	1.0
125.09577	0.7
126.03122	4.4
128.06235	0.7
128.95047	0.7
132.57399	0.5
133.05220	0.7
133.10135	3.3
141.05467	9.8
141.06995	4.8
142.05859	0.7
146.04149	0.6
146.96132	0.8
151.08716	0.8
151.11192	1.1
153.06998	1.5
154.07767	5.3
161.10938	0.6
163.02834	0.7
169.05006	4.4
169.10143	10.7
169.12238	100.0
170.08119	1.4
170.09496	1.1
170.12601	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	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03935	1.3
55.01855	1.6
55.05512	2.3
55.93511	0.7
56.05015	1.1
56.96572	3.7
57.03430	0.8
57.07068	0.6
58.06594	0.5
59.06125	2.7
65.03600	0.5
65.03938	8.0
66.04257	0.3
67.05505	3.3
68.05019	1.0
68.99423	0.5
68.99790	6.1
69.03417	1.4
69.04524	0.4
69.07056	1.8
70.06603	1.6
71.01340	0.5
71.04976	1.6
71.07337	0.6
71.24522	0.9
72.04501	0.5
72.08146	1.4
79.05486	1.0
81.03418	13.3
81.04508	0.6
81.07050	2.8
82.03741	0.4
82.05331	0.3
82.06586	0.8
83.04977	2.5
83.06105	1.5
83.08619	0.7
84.04507	0.4
84.08144	2.4
85.02906	1.4
85.06535	0.7
85.07652	1.0
86.06033	0.4
86.08443	0.7
91.05454	0.9
93.03393	1.3
93.05748	0.4
93.07067	0.5
94.06573	1.0
95.04960	2.5
95.06087	0.4
95.08605	2.0
96.06875	0.6
96.08078	0.8
97.02903	2.1
97.06535	0.3
97.07652	1.1
98.03675	4.7
98.06049	0.6
98.07199	0.8
99.04460	1.2
99.05565	0.6
99.08103	0.5
103.95607	0.5
105.07000	1.0
107.08595	0.6
108.02111	0.8
109.02882	29.2
109.06520	1.5
109.07640	2.8
109.10144	0.9
110.03705	0.8
110.06039	0.8
110.07175	1.5
111.00803	25.0
111.04451	16.9
111.05591	0.5
111.08045	0.7
111.09208	8.0
112.04755	0.5
112.07590	0.4
112.08640	0.4
113.05989	1.1
115.04122	0.5
118.94290	0.5
119.36783	0.3
123.04428	1.7
123.08066	1.4
123.11709	1.3
124.01573	1.6
124.04624	0.8
124.07592	1.1
124.08717	1.3
125.02372	0.4
125.05989	4.6
126.03135	38.4
126.10291	1.1
127.03951	4.2
127.08696	0.7
128.08177	0.8
128.95087	0.8
133.05180	0.4
134.01331	0.5
134.99644	0.4
135.55438	0.4
137.02357	1.0
141.05464	100.0
141.96962	0.7
142.02621	0.5
142.05820	2.9
145.03447	0.7
145.96584	0.4
146.04207	0.5
146.53943	0.4
146.96158	1.3
146.99625	0.7
151.03935	2.5
151.04973	0.7
151.07599	0.7
151.08676	0.4
152.07054	0.6
152.08200	1.5
152.11868	0.7
154.02614	5.7
154.07771	0.8
154.12325	0.4
155.03400	3.7
163.97719	1.2
169.04976	28.7
169.07549	10.5
169.09912	1.4
169.11017	0.8
169.12172	0.6
169.14494	0.9
170.05746	3.8
170.08095	1.1
170.09499	0.6
170.11688	0.6
181.98822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03951	0.8
55.01872	0.6
55.05505	1.0
56.05029	0.6
56.96552	1.2
58.06585	0.4
59.06113	1.2
60.04525	0.3
65.03940	0.8
67.05499	1.0
68.05019	0.6
68.99780	3.2
69.03432	0.4
69.07069	0.6
70.06594	0.8
71.01368	0.3
71.04980	0.5
71.22150	0.3
72.04481	0.3
72.08146	0.9
79.05492	0.4
81.03423	2.8
81.07047	1.1
82.06582	0.4
83.04964	0.7
83.06104	1.0
83.08630	0.2
84.04539	0.4
84.08148	1.1
85.02909	1.1
85.07687	0.4
86.06077	0.3
89.89875	0.2
91.05473	0.3
93.07024	0.4
94.06548	0.5
95.04969	0.6
95.08595	1.0
96.08143	0.3
97.02886	1.0
97.07652	0.8
98.03671	2.9
98.07189	0.7
99.04464	0.9
105.07027	0.6
109.02888	5.1
109.06505	0.5
109.07663	0.8
109.10166	0.3
110.03197	0.3
110.07183	0.9
110.07867	0.3
111.00804	25.7
111.04459	1.3
111.08069	0.6
111.09208	3.7
112.01162	0.3
113.06012	0.5
116.98582	0.3
123.04455	0.4
123.05537	0.3
123.08074	0.8
123.09185	0.4
123.11707	0.4
123.57964	0.3
124.07604	0.7
124.08699	0.8
125.02351	0.6
125.06051	0.5
126.03134	31.7
127.03500	0.3
127.03947	0.3
128.95160	0.2
141.05463	100.0
142.05780	2.1
142.08575	0.3
146.96104	0.3
146.99492	0.3
151.03889	0.3
151.07475	0.4
151.08638	0.4
151.11218	0.3
152.08133	0.6
152.11850	0.3
154.02594	0.9
163.97755	0.4
169.04967	44.9
169.07530	2.8
169.10938	0.5
169.12160	0.4
169.14505	0.4
170.05206	1.3
170.08057	0.4
170.09592	0.4
174.38548	0.2
181.98865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03939	1.1
53.91454	0.3
55.01865	1.5
55.05503	1.9
55.93519	0.5
56.05021	1.2
56.96564	2.7
57.03434	0.6
58.06598	0.7
59.06121	2.2
60.70968	0.3
65.03924	1.6
67.05494	2.5
68.05016	1.4
68.99783	4.2
69.03419	1.0
69.04547	0.6
69.07069	1.0
70.01966	1.5
70.06596	1.9
71.04972	0.9
71.06105	0.3
72.04498	0.5
72.08141	1.4
78.47104	0.3
79.05472	0.9
80.16367	0.3
81.03413	4.7
81.04529	0.6
81.07055	2.7
82.06567	1.3
83.04977	1.5
83.06095	1.2
84.04521	0.8
84.08142	2.6
85.02900	1.4
85.03379	0.3
85.04005	0.7
85.06528	0.6
85.07657	1.0
85.94582	0.4
86.06049	0.5
86.08452	0.6
91.05486	0.4
91.60303	0.4
93.05753	0.3
93.07015	0.4
94.06556	1.0
95.04961	1.4
95.06069	0.8
95.08600	1.3
96.06861	0.6
96.08126	0.7
97.02888	1.3
97.04069	0.4
97.06460	0.6
97.07643	1.1
98.03680	3.7
98.07170	0.9
98.20773	0.5
98.97574	0.4
99.04448	0.8
99.05586	0.6
99.08006	0.3
103.95681	0.5
105.07029	0.7
107.06031	0.3
107.08572	0.6
109.02876	9.6
109.06505	1.2
109.07622	2.6
109.10162	0.8
109.32816	0.3
110.06026	1.1
110.07160	1.0
111.00797	27.2
111.03803	0.4
111.04443	4.0
111.05589	0.6
111.08037	0.5
111.09198	8.2
112.01147	0.6
112.04971	0.3
113.06039	0.7
113.07117	0.3
118.94339	0.5
119.01884	0.4
119.82500	0.4
119.95104	0.4
123.04418	1.3
123.08047	1.6
123.09163	0.7
123.11646	0.4
124.01582	0.5
124.07599	0.9
124.08705	0.8
125.02325	0.6
125.05980	1.6
125.07114	0.4
125.09560	0.3
126.03127	36.1
126.10260	0.9
127.03410	0.5
127.04000	0.7
128.08214	0.4
128.95082	0.9
131.83427	0.3
133.05145	0.5
141.05453	100.0
142.05789	2.1
142.08640	0.5
142.13312	0.4
146.96121	0.9
146.99591	0.4
151.03920	0.7
151.07507	1.0
151.08676	1.4
151.09767	0.3
152.07030	0.5
152.08202	1.0
152.11815	0.9
154.02583	1.5
155.03357	0.5
163.97688	1.3
169.04953	42.4
169.07487	2.2
169.08635	1.1
169.09778	1.0
169.11046	1.5
169.12115	0.6
169.14510	1.1
169.17747	0.4
170.05319	1.0
170.08121	0.7
170.09584	0.9
181.98778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1747
Annotation	Cermizine C
Peak:m/z	Relative Intensity
53.03942	0.4
54.03447	0.2
55.01873	0.3
55.05502	2.4
56.05034	1.3
56.96564	1.7
57.03416	0.4
57.07055	0.1
57.88775	0.2
58.06596	1.4
59.06128	0.8
60.04500	0.2
60.27198	0.1
65.03939	1.0
67.02953	0.2
67.04229	0.2
67.05502	2.7
67.45770	0.2
67.93546	0.4
68.05022	1.5
68.99774	0.4
69.03440	0.8
69.04527	0.2
69.07068	2.2
69.25096	0.2
70.06594	1.5
70.91634	0.5
71.04977	0.7
71.29625	0.1
72.04507	0.3
72.08143	0.7
77.83568	0.1
79.05036	0.2
79.05475	0.7
79.75787	0.2
80.05006	0.6
81.03412	2.0
81.04521	0.5
81.07050	3.4
82.06574	1.3
83.04957	0.6
83.06105	1.3
83.08598	0.4
84.04491	0.4
84.08154	1.2
85.02892	0.6
85.04048	0.3
85.07661	0.6
85.94566	0.2
86.06059	0.7
91.05457	0.3
93.07046	0.7
94.06550	0.9
95.04954	0.7
95.06114	0.8
95.08600	4.8
95.91649	0.1
96.04478	0.3
96.06851	0.2
96.08107	0.4
96.08884	0.3
97.02887	0.5
97.06522	0.3
97.07641	1.4
98.03680	0.5
98.06055	0.5
98.07159	0.3
98.09689	7.4
98.97544	0.4
99.04440	0.6
99.05566	0.4
99.09190	0.3
99.10027	0.2
100.07566	0.2
102.94872	0.4
105.02583	0.2
105.07039	0.4
107.06051	0.2
107.08601	0.2
108.04427	0.4
109.02876	4.7
109.06502	0.7
109.07640	3.9
109.10145	1.3
110.06024	0.7
110.07138	0.5
110.08504	0.3
111.00807	2.2
111.04469	1.8
111.05571	0.6
111.08083	2.7
111.09210	2.5
112.03960	0.2
112.07593	0.7
113.06030	0.2
113.07100	0.3
116.98624	0.6
121.07663	0.2
121.81264	0.2
122.06033	0.2
122.07102	0.4
123.00829	0.2
123.04417	0.6
123.05550	0.3
123.08078	0.6
123.09196	0.8
123.11746	0.3
124.04670	0.3
124.07619	0.3
124.08691	0.5
125.06049	0.3
125.07095	0.6
126.03129	3.6
126.05515	0.4
126.06634	0.4
126.10293	0.9
126.12801	0.4
127.03886	0.6
127.08669	0.5
128.09416	0.3
133.07657	0.3
138.06723	0.2
138.10229	0.3
139.02596	0.2
140.07039	0.6
141.05466	9.4
141.10245	0.3
143.97481	0.2
144.95816	0.4
150.05510	0.6
150.06662	0.3
150.10204	0.4
151.03903	0.6
151.04997	0.3
151.07492	0.4
151.08678	1.2
151.10602	0.2
152.08211	0.3
154.02574	0.4
161.04820	0.3
162.96947	0.2
162.99184	0.4
163.97655	0.4
168.06355	0.9
168.07663	0.7
168.11365	1.7
168.17468	100.0
169.04944	2.5
169.06197	0.3
169.08553	0.4
169.09831	0.5
169.12189	0.3
169.14525	0.3
169.17824	4.3
177.00694	0.2
181.98773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81273	2.4
53.03939	15.4
53.91121	2.4
55.01857	7.7
55.05508	9.9
56.05019	8.4
56.96286	4.4
56.96564	60.3
57.03437	19.9
57.07065	3.0
58.99857	3.3
59.04998	2.6
60.04519	2.8
61.02908	5.8
65.03938	7.1
67.05508	7.5
67.92513	26.1
68.05020	10.3
68.79676	2.3
68.99780	5.0
69.03422	20.7
69.07061	11.0
69.38750	10.9
69.39173	11.7
70.06601	14.5
70.34785	2.6
70.95856	2.7
71.01362	2.9
71.04980	11.0
72.08143	6.5
72.93779	4.3
73.02917	19.1
74.02428	6.5
74.97597	3.1
77.00908	5.7
79.05495	5.4
80.05020	13.9
81.03419	62.3
81.07072	6.1
82.06569	10.0
82.94839	38.8
83.00764	3.5
83.04964	11.8
84.04507	17.9
84.08163	2.9
84.96017	10.7
85.02910	25.3
85.30826	2.9
85.93546	5.4
89.00781	4.5
90.94834	2.6
92.01298	2.9
93.02095	2.8
93.07003	3.6
94.06554	13.7
95.04941	4.9
95.06096	5.6
95.08627	4.1
95.83098	2.5
96.04497	12.4
97.02882	11.1
97.52090	4.4
98.01288	7.6
98.03688	3.8
98.06047	20.9
98.97584	20.5
99.04464	23.4
100.02492	6.4
100.95860	11.2
101.00875	2.9
102.97108	3.0
103.02455	2.8
104.52879	3.3
105.00349	3.6
105.02074	3.5
106.06554	3.6
108.04468	8.5
108.08916	2.5
109.02871	100.0
109.06528	2.6
110.01287	9.3
110.06036	22.3
111.00796	15.3
111.04438	8.8
112.01114	3.1
112.03951	3.0
112.07607	8.0
113.05994	2.5
114.05479	2.6
115.02422	3.2
115.03885	3.1
116.07092	7.2
116.98629	22.6
117.02139	5.5
118.01047	5.3
118.03542	7.8
119.01878	49.7
120.03410	3.0
120.08134	4.9
121.01669	6.1
122.06024	27.3
123.04438	8.2
123.08107	4.5
123.97436	22.2
124.03952	4.8
124.07566	5.5
126.03131	21.6
126.05522	32.6
126.93758	13.2
127.03921	59.8
128.02310	20.2
128.98604	4.9
131.01906	15.9
132.02002	8.1
133.01703	2.6
133.03554	3.3
134.99658	18.5
135.03200	2.6
137.02962	14.4
138.05498	8.8
139.02724	4.8
140.03418	7.0
140.06104	2.7
140.07013	15.5
141.05461	71.3
144.94806	12.7
144.95837	10.5
144.98112	11.0
144.99808	6.6
145.03467	20.7
146.03752	2.7
146.99658	9.7
149.01212	8.8
149.02963	7.6
150.05515	30.9
150.09122	4.5
151.03888	3.9
151.07509	4.0
153.00621	3.6
158.01268	3.2
161.01227	4.9
162.95818	31.9
162.96947	7.2
162.99150	36.5
163.00563	5.2
163.02718	6.2
163.04541	8.6
165.00758	4.5
167.02251	4.1
167.96407	5.4
168.02930	3.7
168.05202	3.7
168.06531	63.5
168.07794	4.1
168.10205	8.5
168.11423	3.6
168.13840	2.7
169.04976	25.0
173.02977	2.9
176.02370	2.5
177.00742	3.8
180.97021	3.4
181.00230	9.2
185.97475	6.1
186.96718	3.1
189.00696	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	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.00302	0.8
53.03949	3.8
54.03476	0.8
55.01869	4.8
55.05509	32.7
56.05026	2.3
56.05826	0.9
56.96556	2.3
57.03436	4.1
57.07071	7.9
58.06596	1.2
59.04998	5.8
59.06117	3.9
62.43626	0.7
62.61668	0.6
62.85434	0.6
63.28216	0.7
65.03931	3.2
67.05501	13.3
68.05034	2.7
69.03428	10.5
69.07065	20.0
69.34872	6.0
70.06589	3.9
71.04987	4.9
71.33850	0.6
72.08148	1.7
73.06545	1.1
77.03916	0.9
77.83389	0.7
78.04710	12.6
79.05487	26.9
80.04996	0.8
81.03414	1.8
81.04536	2.3
81.07054	35.9
82.06583	5.0
82.07366	0.8
83.04978	43.0
83.06062	4.0
83.08130	1.3
83.08613	19.5
84.04494	1.3
84.05254	0.8
84.08138	1.8
84.08912	0.6
84.96011	2.1
85.02888	1.4
85.06547	6.0
85.07652	1.9
91.05473	24.9
92.05799	1.1
93.03402	1.7
93.07038	30.4
94.04211	0.8
94.06552	2.0
94.07359	1.2
95.04968	11.1
95.06093	1.7
95.08595	8.7
96.05759	0.9
96.08956	0.7
97.02890	0.9
97.06522	10.0
97.07644	2.8
97.10159	4.2
98.07178	1.1
98.09709	1.0
98.21459	1.2
99.04452	1.0
99.05551	0.9
99.09179	0.8
102.02209	0.7
102.94836	1.0
102.97070	0.8
103.00654	1.1
103.05442	1.5
105.03407	0.9
105.04514	1.5
105.07030	9.9
106.04178	3.7
107.04285	1.0
107.04962	12.2
107.06089	1.6
107.08590	34.8
108.04464	1.0
108.05700	1.3
109.02863	3.5
109.04019	0.8
109.06517	11.2
109.07634	13.0
109.08343	1.3
109.10148	13.2
109.17505	0.7
110.06009	1.1
110.07148	2.6
110.08409	5.2
111.04447	3.9
111.08067	17.7
111.09193	5.7
112.07610	1.1
112.08801	2.0
113.09646	0.9
115.05383	0.7
117.07031	0.7
119.06052	0.9
119.08577	1.9
120.02029	1.2
121.01657	16.5
121.06500	100.0
121.08307	3.8
121.10137	28.3
121.11021	1.4
122.03681	0.9
122.06007	1.5
122.07033	5.5
123.04424	21.8
123.08062	5.4
123.09167	1.8
123.11696	5.2
124.05248	7.4
124.08713	3.1
125.05966	5.7
125.07022	1.6
125.08264	3.5
125.09618	10.8
126.05554	1.5
126.06656	1.4
126.10275	1.1
127.07418	1.7
131.08572	2.2
133.07562	1.2
134.03596	0.9
134.07303	0.8
135.04396	2.3
135.08047	10.4
137.05908	1.5
137.09612	0.8
138.03119	1.1
138.06731	0.7
139.02687	11.2
139.03726	1.0
139.07526	2.5
139.11150	2.6
140.07051	3.8
140.10664	1.4
144.03227	11.0
149.02351	2.4
149.05969	2.7
149.07077	0.9
149.08353	1.7
149.09601	14.3
149.13255	7.4
150.06630	1.9
150.10234	11.6
151.03954	3.2
152.04750	4.3
162.04285	5.0
167.03380	3.4
167.07031	81.2
167.10643	12.4
167.12935	2.9
167.14291	28.3
167.45599	0.7
168.07489	2.6
168.11317	1.6
168.14554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03931	3.5
55.01872	12.1
55.05511	29.3
56.02188	0.8
56.05031	1.1
56.05823	1.1
56.96570	8.2
57.03437	10.5
57.07063	3.3
59.04995	1.4
59.06106	1.4
65.03929	3.3
67.05505	46.4
68.05030	0.9
69.03428	14.0
69.07069	31.6
69.07449	1.7
70.06579	1.2
71.04988	12.4
71.60134	0.8
73.06531	1.1
77.03949	0.8
78.04702	3.3
79.05494	65.2
80.05827	1.9
81.03405	1.9
81.07057	88.8
82.06573	2.0
82.07379	1.4
83.04991	8.9
83.06126	1.3
83.08138	1.1
83.08617	19.9
83.41780	0.8
84.04496	0.8
84.96033	7.5
85.02873	1.1
85.06545	22.2
91.05474	21.2
92.05804	0.8
93.07045	91.3
94.07365	2.5
94.73920	0.7
95.04964	9.1
95.08609	53.2
96.08932	1.7
97.02885	1.4
97.06533	60.6
97.10152	3.8
98.06871	0.8
99.08083	1.3
102.94852	1.0
102.97054	2.5
103.00603	1.7
105.04499	1.3
105.07036	10.6
106.04192	1.5
107.04934	3.8
107.08594	100.0
108.08877	2.2
109.02879	1.5
109.06514	9.7
109.07648	2.8
109.10154	22.2
110.08428	0.9
110.10507	0.8
111.04397	2.2
111.08079	11.3
111.09219	0.9
112.08765	1.0
119.08597	1.2
120.98090	1.8
121.01667	22.9
121.06504	3.1
121.10144	46.0
122.07146	2.2
122.10474	1.7
123.04446	7.5
123.08092	1.7
123.11708	34.5
124.05225	2.2
124.08681	1.2
124.12029	0.8
125.05986	2.3
125.08237	2.0
125.09666	6.6
126.10051	0.8
130.83862	0.9
131.08580	2.5
134.54997	0.8
135.84441	0.9
137.13278	1.7
139.02681	13.5
139.03670	1.5
139.07518	2.0
139.11172	1.4
143.05437	1.2
143.55545	1.7
144.03209	11.5
144.04097	0.9
149.02338	1.8
149.05946	2.0
149.09625	8.0
149.13258	44.0
150.05495	1.0
150.10228	1.8
150.13589	2.3
151.03876	1.5
152.04642	1.3
152.06229	1.0
152.56140	1.8
162.04263	5.2
167.03497	1.8
167.04819	1.1
167.07050	23.3
167.08456	3.0
167.10623	6.9
167.14316	35.2
168.13701	1.4
168.67551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.00319	0.6
53.03942	2.3
55.01870	1.1
55.05260	0.8
55.05510	12.7
56.96556	2.3
57.03432	0.6
57.07068	2.2
59.04995	2.8
65.03927	0.5
67.05506	5.8
67.87282	0.4
69.03425	3.2
69.07066	41.1
70.06567	0.6
70.07388	0.7
70.22058	2.2
77.03889	0.7
78.04710	1.6
79.05490	19.3
81.03438	0.6
81.07056	12.0
83.04973	3.0
83.08630	3.5
84.96036	3.6
91.05476	12.0
93.07040	77.1
94.07361	1.5
95.04967	5.2
95.08604	12.9
97.06530	6.7
97.10179	0.9
98.21420	0.7
100.11239	0.5
102.94870	0.8
102.97079	0.8
103.00664	0.7
103.05462	1.8
105.04520	0.6
105.07030	20.8
106.07818	1.4
107.04950	1.3
107.08589	4.8
108.98937	0.5
109.02913	0.6
109.06504	2.1
109.10165	1.3
111.04467	0.6
111.08123	0.9
111.11716	7.8
119.08578	4.5
120.01962	0.4
121.01660	10.0
121.06521	2.0
121.10138	100.0
122.09723	0.6
122.10472	2.7
123.04414	2.2
123.08063	7.4
123.11715	0.8
124.05193	0.9
125.06020	0.6
125.09668	0.6
126.05448	0.7
129.07068	0.5
131.08629	0.6
133.07613	1.7
139.02696	5.4
139.11157	2.8
139.53285	0.6
140.00392	0.6
144.03227	5.9
149.05945	0.7
149.09624	13.6
151.03877	0.7
162.04285	2.1
163.03838	0.6
167.03369	1.0
167.07028	7.6
167.08455	0.8
167.10674	31.9
168.06529	0.6
168.11050	0.9
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	Apocynin
Peak:m/z	Relative Intensity
50.05525	0.2
51.02377	0.4
53.03947	2.3
59.82288	0.3
65.03923	0.9
66.04707	1.2
67.05493	0.6
69.70279	0.7
69.70683	1.1
77.03920	0.4
78.04264	0.7
78.04713	13.9
79.05492	15.1
81.03406	0.7
81.07063	2.4
82.04181	0.3
91.05482	1.6
92.02601	0.4
93.03389	0.7
93.07028	0.4
94.04198	1.7
95.04974	4.3
96.05773	1.5
96.34715	0.3
98.20811	0.3
105.03374	1.2
105.04494	0.9
106.04176	6.2
107.04960	16.6
107.08566	0.4
108.05222	0.4
109.02871	1.3
109.06532	0.7
110.03667	0.5
110.81221	0.3
111.04478	0.3
111.08067	0.5
113.33392	0.3
117.74287	0.3
120.29284	0.3
121.02843	0.4
121.06490	0.9
121.79707	0.3
122.03654	2.6
123.04430	25.7
124.05218	11.4
125.05988	2.1
134.03609	1.9
135.04382	1.0
135.11235	0.3
137.02399	0.5
137.05992	1.5
139.07571	0.4
144.03261	0.4
149.05968	0.5
150.10254	0.6
151.03893	5.0
152.04700	7.8
165.05472	0.5
167.07040	100.0
168.04202	0.9
168.07388	3.6
174.57533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02376	0.6
53.03951	1.9
55.01860	1.2
55.05517	2.4
56.05021	1.1
56.96552	1.1
59.05003	0.6
59.06110	1.1
62.51544	0.4
65.03931	1.1
66.04712	1.6
67.05504	3.4
68.05022	1.6
68.99741	0.3
69.03413	1.0
69.04533	0.6
69.07064	2.5
70.06578	1.3
70.42204	1.3
71.04984	1.1
72.08155	0.7
77.03934	0.8
78.04711	17.0
79.05490	18.7
80.05013	0.5
80.05809	0.6
81.03416	1.7
81.04512	0.6
81.07056	4.8
82.06581	2.1
82.07356	0.4
83.04989	1.7
83.06094	1.4
83.08611	1.1
84.04483	0.5
84.08145	0.7
84.96030	1.0
85.02906	0.5
85.06532	0.4
85.07651	0.5
85.09396	0.3
91.05485	4.3
93.03399	0.8
93.07043	6.9
94.04197	2.1
94.06559	0.5
95.04964	6.3
95.06062	0.6
95.08598	2.3
96.05756	1.7
97.02868	0.4
97.06513	2.2
97.07658	1.0
98.07147	0.5
98.21358	0.4
103.00667	0.4
103.05469	0.5
105.03359	1.5
105.04519	1.0
105.07017	3.2
106.04171	5.4
107.04955	13.1
107.06059	0.6
107.08590	9.1
108.08862	0.4
109.02885	2.2
109.03976	0.6
109.06523	2.9
109.07644	4.3
109.10153	1.2
110.03669	0.7
110.07170	1.2
110.08401	2.4
111.04430	1.2
111.05544	0.6
111.08065	0.9
111.09211	2.6
119.01929	0.5
119.08596	0.6
120.02101	0.4
121.01653	5.1
121.02484	0.4
121.02920	0.6
121.06496	3.3
121.07436	0.6
121.08414	0.6
121.10142	5.3
121.39954	0.3
122.03634	2.7
122.05972	0.6
122.07144	1.7
123.04425	28.4
123.08053	1.1
123.09179	1.0
123.11684	0.9
124.05218	11.7
124.08703	1.0
125.02274	0.4
125.06007	2.8
125.08226	0.9
125.09628	1.1
126.06610	0.5
127.07449	0.4
131.08528	1.6
134.03641	2.0
135.04395	1.1
137.02304	0.4
137.05977	1.4
137.09604	0.4
138.03069	0.7
138.06677	0.3
139.02692	2.7
139.03723	0.6
139.07536	1.6
139.11166	0.6
140.07062	0.4
144.03224	3.0
149.02339	0.7
149.05965	1.1
149.09602	4.1
149.13245	1.0
150.05507	0.4
150.06598	1.1
150.10260	5.0
151.03896	5.9
151.05084	0.4
152.04684	7.5
162.04291	1.4
165.05493	0.4
167.07034	100.0
167.10623	4.0
167.12866	1.7
167.14323	0.8
168.04187	0.7
168.07446	2.8
168.11273	0.4
172.42839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76592	0.3
51.02374	0.5
51.56617	0.3
53.03951	2.0
55.01879	0.5
55.05506	0.9
65.03935	0.5
66.04707	1.2
67.05495	0.9
68.99782	0.4
69.03425	0.7
69.07060	0.5
70.06574	0.5
71.33894	0.8
72.35547	0.3
75.67812	0.3
77.03921	0.5
78.04710	16.7
79.05490	16.3
80.05812	0.4
81.03403	0.8
81.06709	0.3
81.07061	2.9
83.04950	0.5
85.02907	0.7
91.05469	1.9
93.03405	0.7
93.07040	1.2
94.04195	1.9
94.06522	0.4
95.04434	0.5
95.04974	5.1
96.05750	1.4
97.02897	0.3
97.06519	0.6
98.97578	0.4
105.03424	1.8
105.04507	1.1
105.07034	0.4
106.04167	5.6
107.04955	15.5
107.08584	0.8
109.02866	1.9
109.06538	1.7
109.07639	1.1
110.07135	0.3
110.08375	0.8
111.04427	0.5
111.08057	0.5
111.09194	0.6
121.01660	0.7
121.02902	0.4
121.06527	0.9
121.10133	1.2
122.03648	3.2
122.07140	0.5
123.04427	28.6
123.08008	0.4
124.05222	11.5
125.05998	2.5
134.03619	2.0
135.04416	1.1
137.02306	0.5
137.05975	1.3
139.07530	0.7
144.03285	0.7
149.05962	0.6
149.09644	0.5
150.10242	1.3
151.03903	6.1
152.04698	6.5
167.07036	100.0
168.04202	0.7
168.07396	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03928	0.2
64.94337	0.1
67.16516	0.1
70.15597	0.5
70.15947	0.2
70.25919	0.1
79.05488	1.6
80.45682	0.1
85.38967	0.1
86.08488	0.1
89.01296	0.1
91.05482	0.8
93.07037	2.5
95.04966	0.3
103.05465	11.8
104.05810	0.5
107.04954	2.4
119.07344	0.2
120.08102	100.0
121.08442	2.8
122.93839	0.1
131.04922	2.4
149.06029	0.5
166.08627	1.2
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
50.01581	0.4
51.02377	0.6
52.03154	0.4
53.00312	0.3
53.03945	2.1
55.01860	0.9
55.05490	0.6
56.05036	0.4
59.06121	0.4
65.03943	0.9
66.04715	1.8
67.05500	1.1
68.05031	0.4
68.99776	0.4
69.03413	0.5
69.07059	0.4
70.75507	0.7
70.75881	0.6
71.04987	0.3
78.04714	17.6
79.05495	17.2
80.02638	0.3
80.05820	0.5
81.03417	1.0
81.07056	3.3
82.04186	0.4
83.04980	0.8
83.06098	0.5
85.02898	0.5
85.07693	0.3
91.05496	2.9
92.02598	0.4
93.03384	1.0
93.07053	2.6
94.04198	2.8
94.06510	0.4
95.04966	6.7
95.06058	0.3
95.08595	0.5
96.05740	1.4
97.06504	0.9
105.03408	1.5
105.04504	0.9
105.07014	1.3
106.04172	6.8
107.04961	15.5
107.08595	2.7
108.02150	0.3
109.02869	1.8
109.06522	1.2
109.07634	1.3
110.03674	0.4
110.08453	0.5
111.04453	0.6
111.08076	1.1
111.09212	0.5
115.10031	0.4
121.01669	1.2
121.02891	0.8
121.06502	1.2
121.10161	2.8
122.03651	3.0
122.07105	0.5
123.04433	30.1
124.05227	13.1
124.08778	0.5
125.06030	2.6
125.09669	0.3
131.08546	0.7
133.73506	0.3
134.03629	2.0
135.04398	1.1
136.22845	0.3
137.02373	0.5
137.05983	1.7
137.09595	0.4
138.03107	0.6
139.02657	0.5
139.07544	0.3
139.11110	0.5
141.12958	0.3
144.03265	1.1
149.05991	0.5
149.09639	1.9
150.10275	1.6
151.03905	6.0
152.04689	8.3
165.05444	0.4
167.07042	100.0
168.04161	1.0
168.07384	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	166.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01873	1.7
56.05033	5.0
56.96564	51.8
57.03436	3.0
58.43477	0.9
60.04526	1.6
65.03936	2.3
65.92624	7.6
67.05495	4.0
69.03422	3.9
69.82672	1.0
70.06571	1.3
70.85760	0.9
71.23167	2.3
71.95255	6.4
72.96056	1.3
74.02442	16.2
74.97606	1.1
75.02705	2.8
79.05480	3.7
80.05014	1.6
80.94971	10.0
81.03391	1.2
81.07047	2.1
82.06565	1.2
83.93057	1.1
83.93691	2.3
85.02921	2.5
91.05471	3.6
92.05821	1.6
93.07040	4.1
95.01311	1.2
95.04962	3.1
95.93518	1.0
96.04472	1.6
97.02879	2.2
97.99172	1.5
98.01284	1.2
98.96009	3.3
98.97604	1.7
102.00945	2.8
102.02390	1.7
102.05558	3.7
103.05464	8.7
103.52038	1.5
107.04951	2.5
107.08577	1.5
108.04497	1.9
110.06091	1.9
110.06769	1.0
110.09760	1.1
111.02924	1.2
115.02396	4.8
116.00259	1.1
116.48606	1.1
116.98615	1.2
117.03996	2.0
119.01904	13.5
119.95193	1.2
120.01997	26.4
120.05290	2.6
120.08102	100.0
121.01669	7.6
121.06519	1.8
121.08440	1.5
121.97570	6.1
123.04395	2.1
124.04794	1.5
124.93892	4.5
125.02448	1.7
130.16943	1.0
131.01880	5.5
131.04962	2.4
133.03496	6.1
134.99623	1.3
135.05032	3.1
137.02950	8.8
138.03049	16.3
138.05499	4.4
139.02702	5.8
142.03481	3.7
142.94958	3.7
142.96642	7.9
143.00137	1.3
143.01880	3.7
143.03629	19.8
144.03247	4.8
145.03427	1.5
148.03799	1.8
148.04819	2.8
148.07542	1.9
149.02605	2.3
149.05933	1.9
149.07173	1.1
160.04590	2.9
160.96019	11.9
160.97594	9.7
161.01247	5.7
161.02994	10.8
161.04689	9.4
162.04390	2.1
165.96544	1.6
166.04922	10.5
166.08536	6.6
167.03391	2.5
167.07047	4.4
178.98651	3.4
179.02391	1.3
179.04047	2.7
183.97610	2.4
184.04494	2.1
185.02876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	3.9
55.01852	3.2
55.05506	15.3
56.05020	3.0
56.96554	6.5
57.03430	6.1
57.07074	6.0
58.06580	1.3
59.04980	2.8
59.06094	1.7
60.00610	1.2
65.03922	4.3
66.03450	1.5
66.04710	2.0
67.05498	42.4
68.05022	5.2
69.03426	11.0
69.04539	1.6
69.07063	12.3
69.42709	9.2
70.03754	1.4
70.06592	6.2
71.04969	4.0
77.03899	1.7
79.05486	31.9
80.05002	4.1
81.03419	7.1
81.04529	3.7
81.07052	51.0
82.06560	2.9
83.04991	6.5
83.06106	9.0
83.08595	4.3
83.93052	1.1
85.02919	1.0
85.06523	2.2
85.07656	2.2
86.08418	1.2
91.05474	47.8
92.05817	1.4
93.07037	43.9
94.04165	1.5
94.07359	1.1
95.04964	59.4
95.06050	3.3
95.08598	40.9
96.04469	1.1
96.05575	1.4
97.06490	4.1
97.07642	5.9
98.07194	1.7
98.21443	1.7
99.09148	1.1
100.02517	1.3
101.00874	7.8
103.05476	6.4
105.03362	4.2
105.04510	2.4
105.07024	41.0
106.07385	1.7
107.04958	8.1
107.06068	6.0
107.08587	46.6
108.05692	2.8
108.08879	1.9
109.02856	2.3
109.06509	36.3
109.07617	5.7
109.10150	10.7
110.07233	2.4
111.04413	1.3
111.09187	3.7
117.07037	5.6
118.03453	1.9
119.01913	85.2
119.04927	12.7
119.08573	61.6
119.72568	1.1
120.01958	6.0
120.05642	1.2
120.08099	24.5
120.08905	1.6
121.06461	3.8
121.07601	3.4
121.09319	1.3
121.10136	21.0
122.03654	1.6
122.07164	7.9
123.04396	4.1
123.06708	2.0
123.08060	41.2
123.10816	1.3
123.11703	26.5
124.08717	10.4
125.09455	2.9
127.07549	1.2
129.07033	2.1
130.06483	3.1
132.05672	3.2
133.02786	6.1
133.06461	3.1
135.04378	2.1
135.08002	1.9
136.08711	1.6
137.02957	49.9
137.05933	10.8
137.09598	10.9
137.13271	6.2
137.98373	1.4
138.03040	3.3
138.05505	1.4
138.06598	2.0
138.10220	3.2
142.03488	53.4
142.96675	3.7
143.03645	5.3
145.10065	1.6
147.04407	20.6
147.08031	21.5
147.11678	23.5
148.07535	1.3
148.08669	9.5
160.04541	21.3
161.04620	1.6
165.01801	1.8
165.05481	23.0
165.07660	6.2
165.09081	24.6
165.11378	11.8
165.12726	100.0
166.04945	4.1
166.08551	10.3
166.09514	1.4
166.13040	4.1
172.91924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03941	5.4
55.01854	1.4
55.05506	4.9
56.96550	2.7
57.03427	1.8
57.07057	2.7
59.04985	1.7
65.03924	1.4
65.94592	0.7
67.05168	1.0
67.05500	14.4
68.05020	1.2
69.03425	23.0
69.06784	0.6
69.07072	7.3
70.06571	1.6
70.22318	0.7
70.85913	2.4
71.04987	1.9
76.26556	0.6
79.05112	0.9
79.05492	9.2
81.03416	17.5
81.07054	24.0
82.06568	0.8
83.04993	4.3
83.06098	2.1
83.08615	0.8
85.06538	1.4
91.05471	9.1
93.07039	8.7
95.04965	11.6
95.06080	1.1
95.08597	18.7
95.20638	0.7
97.06508	2.1
97.07622	0.9
98.67939	0.7
101.00852	4.0
102.02268	0.9
103.05451	1.4
105.07028	15.6
107.04939	1.6
107.06077	1.2
107.08588	11.5
108.05746	0.9
109.06523	16.5
109.07310	0.9
109.07640	1.5
109.10172	4.5
110.07234	2.3
111.09194	0.8
117.07002	1.7
119.01915	32.5
119.04932	1.7
119.08574	14.2
120.02003	2.5
120.08117	4.0
120.08862	1.1
121.06485	1.2
121.07605	0.9
121.10136	8.4
122.07211	4.0
123.08061	21.9
123.11684	10.9
124.02401	1.2
124.08658	2.4
124.12004	1.0
125.09511	0.9
135.07986	1.0
135.11710	0.7
137.01970	1.1
137.02960	17.2
137.05972	2.5
137.09607	5.6
137.13228	3.7
138.03076	0.8
138.10239	1.2
142.02408	1.5
142.03496	23.2
142.96692	2.3
143.03615	2.4
143.05408	0.8
147.04388	3.2
147.08011	2.6
147.11674	10.5
148.08670	2.3
150.10376	1.0
159.53491	0.6
160.04547	10.2
161.04698	0.8
161.64697	0.8
165.01828	0.8
165.05397	3.2
165.06894	2.0
165.07893	1.1
165.09088	9.0
165.12741	100.0
166.04980	1.8
166.13063	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.48899	0.9
53.03941	3.0
55.01851	2.7
55.05508	7.6
56.05024	1.9
56.96566	6.1
57.03426	2.6
57.07056	3.2
58.06570	1.3
59.04979	2.7
60.67966	0.9
65.03923	2.3
67.05499	20.2
68.05013	2.5
69.03429	10.8
69.04527	1.3
69.07070	9.1
69.60994	7.2
70.06573	4.0
71.04972	4.4
71.25159	1.0
79.05061	1.1
79.05491	18.4
80.05008	2.3
81.03426	10.4
81.04512	2.0
81.07056	47.5
82.06573	2.1
83.04984	5.5
83.06084	4.4
83.08603	2.7
83.93057	1.1
85.02917	1.3
85.06520	3.6
91.05481	26.7
92.05784	2.2
93.07039	16.5
94.04173	1.1
94.07401	1.0
95.04965	31.3
95.06038	1.9
95.08605	29.2
95.09225	1.5
97.06509	1.8
97.07638	1.5
98.07190	1.2
100.02473	1.1
101.00861	8.8
101.02542	1.3
102.02211	1.1
103.05437	2.0
105.07026	21.1
105.07668	0.7
107.04956	2.4
107.06052	3.8
107.08589	56.7
108.08911	2.5
109.02868	1.1
109.06522	30.9
109.07651	2.9
109.10150	13.1
110.07272	1.4
111.09174	2.3
116.98698	1.0
117.07014	2.1
118.03497	1.7
119.01917	100.0
119.04910	3.9
119.08577	26.8
120.02017	7.1
120.03235	1.7
120.05622	1.1
120.08109	8.1
121.06499	2.5
121.07596	1.8
121.10139	18.0
122.07224	8.0
122.10488	1.3
123.04394	3.6
123.06730	1.1
123.08069	21.2
123.11712	16.0
124.02426	2.2
124.08768	6.2
124.12064	1.0
125.09452	1.5
129.06937	1.0
133.02783	1.8
133.06415	1.5
135.04398	1.0
135.08032	2.2
136.07571	1.8
136.08827	1.0
137.02957	58.6
137.05939	4.5
137.08011	8.2
137.09608	49.0
137.13255	3.3
137.98354	3.4
138.03030	4.8
138.05492	1.1
138.06604	2.5
138.09125	1.6
138.10143	2.2
142.03496	63.1
142.96655	4.2
143.03674	5.1
147.04437	6.4
147.08015	6.2
147.11679	19.2
148.04854	1.1
148.07581	1.1
148.08684	4.2
150.10376	3.3
160.04552	30.7
161.01201	1.5
161.04669	1.7
165.01848	2.4
165.05556	7.7
165.06702	1.7
165.07620	4.7
165.08994	12.6
165.11418	5.8
165.12738	67.0
166.04967	1.7
166.08615	3.8
166.13100	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02367	1.3
53.03929	2.7
54.03451	1.4
55.01852	3.0
55.05296	0.9
55.05512	8.2
56.05031	5.4
56.96563	7.9
57.03418	4.0
57.07054	3.8
58.06590	2.2
59.04988	2.7
59.06110	1.8
59.40993	0.9
62.17242	0.8
65.03928	5.0
67.02982	1.3
67.05504	36.3
68.05033	7.5
68.99785	0.9
69.03115	0.9
69.03427	8.3
69.04546	1.4
69.07069	9.7
70.06590	7.7
71.04970	3.0
71.58888	0.9
77.03913	1.5
79.05054	1.5
79.05488	19.9
79.08389	0.9
79.88383	0.9
80.05013	4.3
80.94963	1.0
81.03443	4.6
81.04546	7.0
81.06575	1.8
81.07057	34.7
82.06570	5.2
82.07362	0.9
83.05002	4.5
83.06105	7.9
83.08602	2.8
85.02879	1.3
85.06538	1.9
85.07649	4.3
91.05481	30.1
92.05785	1.7
93.07044	15.2
94.04144	1.5
94.06538	1.7
95.04974	44.9
95.06037	5.8
95.08606	29.2
96.06884	1.0
96.08916	1.2
97.06490	2.0
97.07647	5.3
98.07181	2.2
100.02471	1.6
100.37524	0.9
101.00858	8.2
103.05475	5.1
105.03368	3.4
105.04463	1.3
105.07039	29.3
107.04980	6.1
107.06078	9.4
107.08595	40.8
108.04527	1.1
108.05669	2.3
108.06828	1.6
108.08871	1.6
109.02876	1.6
109.06522	30.8
109.07634	5.4
109.10153	11.5
110.06053	1.9
110.07247	5.3
111.05578	1.0
111.09181	3.9
115.02411	0.9
117.07015	4.3
118.03503	2.1
119.01923	100.0
119.04926	13.0
119.08581	47.6
119.09454	1.8
120.02012	7.2
120.05521	1.8
120.08109	21.3
120.08905	1.8
121.06469	2.5
121.07607	4.2
121.10125	10.6
122.03606	1.7
122.07185	11.3
123.04491	4.4
123.05547	0.9
123.06684	1.7
123.08070	38.5
123.11699	22.9
124.02425	1.8
124.05074	1.4
124.08725	11.4
124.93945	1.3
125.07065	1.6
125.09521	5.1
129.07034	1.9
132.05695	4.3
133.02827	6.1
133.06500	7.3
135.08000	1.1
136.08748	2.4
137.02966	54.5
137.05972	13.9
137.09618	14.3
137.13284	4.5
138.03043	4.2
138.05522	2.1
138.06570	3.2
138.09174	1.0
138.10210	4.3
142.03503	64.8
142.96687	3.9
143.03654	5.7
145.06494	1.0
147.04410	19.1
147.06909	1.9
147.08046	20.7
147.11694	12.3
148.04822	1.6
148.07561	1.6
148.08682	10.6
160.04559	28.1
161.01224	3.3
161.04695	3.5
165.01765	2.7
165.05551	10.8
165.06868	3.8
165.07764	3.0
165.09076	22.3
165.11362	14.1
165.12729	83.0
166.04997	2.8
166.08536	1.1
166.09785	4.4
166.13107	4.1
179.02248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03926	2.5
55.01855	4.3
55.05505	10.6
56.96566	9.6
57.03443	5.6
57.07064	1.7
58.52454	1.0
65.03938	2.9
67.05507	40.6
69.03429	7.2
69.04562	1.0
69.07071	9.9
70.55225	1.9
70.55612	2.2
71.04984	3.2
72.24685	1.0
79.05495	35.2
80.05822	1.0
81.03410	2.7
81.07058	77.1
82.06577	1.3
82.07381	2.3
82.99853	0.9
83.04972	10.3
83.08624	2.3
83.93004	1.4
85.06550	5.5
91.05482	40.9
93.06466	2.0
93.07045	39.5
95.04971	44.9
95.08610	26.1
97.06533	9.0
99.08085	2.3
100.02486	2.3
100.45393	0.9
101.00866	8.2
101.02577	1.9
103.02352	1.1
103.05469	3.1
105.07031	69.1
106.07341	2.6
107.04961	1.5
107.06081	1.3
107.08600	27.7
108.08865	1.1
109.06515	19.8
109.10153	9.6
110.07246	1.3
116.97298	1.2
117.06995	1.4
118.03566	1.1
119.01921	100.0
119.04950	1.5
119.08578	56.2
120.02022	7.9
120.03258	2.4
120.05600	1.3
120.08086	3.5
120.08911	2.6
121.10142	51.1
122.07171	3.5
122.10432	2.0
123.04443	1.8
123.08080	13.9
123.11697	8.5
124.02428	2.9
124.05067	1.5
124.08685	2.5
127.07516	1.0
128.97760	1.3
134.04898	2.2
137.02959	53.7
137.05974	3.3
137.09622	11.6
137.13242	2.9
137.98373	1.7
138.03049	4.3
138.05371	1.4
142.03505	65.8
142.96683	5.5
143.03638	4.8
143.05394	5.3
145.10130	1.4
147.04483	2.0
147.08023	3.6
147.11685	86.2
148.08635	2.2
148.12029	4.1
149.49130	1.2
152.05940	3.8
154.56223	1.0
160.04553	25.9
161.04654	1.9
165.05281	5.9
165.07770	2.7
165.09087	13.7
165.12747	85.4
166.05087	1.1
166.09697	1.2
166.13103	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	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27494	0.8
53.03939	2.0
55.01857	3.4
55.05507	8.6
56.40639	0.6
56.96564	8.7
57.03439	7.4
57.07050	1.2
58.07344	0.8
67.05500	44.2
69.03419	4.4
69.07066	9.3
70.05277	1.7
70.05669	2.2
71.04978	2.2
77.03872	1.0
79.05489	37.5
80.05807	1.6
81.03409	1.6
81.07053	81.0
82.07376	2.1
83.04983	9.1
83.08614	1.6
85.06519	6.1
85.42606	0.8
91.05476	42.3
92.05804	1.4
93.07039	42.0
94.07336	1.1
95.04960	15.8
95.08598	25.2
97.06538	10.6
99.08085	1.8
100.02462	0.9
101.00866	5.5
101.02531	1.6
103.05473	0.9
105.07026	72.4
106.07330	1.3
107.08589	26.8
109.06513	17.6
109.10140	6.3
112.55537	0.8
117.07017	2.8
119.01917	46.6
119.04913	1.3
119.08576	57.6
120.02016	3.9
120.03330	0.7
120.08935	2.5
121.10136	61.8
122.07232	0.9
122.10483	1.7
123.08076	10.0
123.11705	9.1
124.02483	0.9
127.07535	1.1
130.06482	0.8
134.04857	2.2
137.02959	17.9
137.09613	6.5
137.13208	2.6
138.03082	1.5
140.76094	0.8
142.02412	1.6
142.03491	26.4
142.96660	1.6
143.03596	2.6
143.05402	7.0
145.10132	1.9
147.04399	1.6
147.11678	100.0
148.12025	4.3
151.69083	0.9
152.05948	3.3
160.04552	10.4
161.04741	1.2
165.05304	0.8
165.07750	1.4
165.09056	4.9
165.12743	76.1
166.13069	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	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03932	1.8
54.03449	1.0
54.90826	0.7
55.01860	3.2
55.05262	1.0
55.05508	14.7
56.05024	1.5
56.96556	6.5
57.03445	4.1
57.07074	9.2
58.06594	1.0
59.04982	3.1
59.06109	0.8
64.22416	0.9
65.03926	2.9
67.05504	21.6
67.05864	1.2
68.05011	2.2
68.05830	0.8
69.03426	8.7
69.04542	0.7
69.07066	9.8
70.06582	2.1
70.76237	2.4
71.04999	4.0
77.03908	1.0
79.05488	19.4
80.04999	1.8
81.03419	13.0
81.04546	1.5
81.07056	42.8
82.06564	2.8
82.99835	0.9
83.04974	5.0
83.06116	3.7
83.08610	5.8
83.93063	1.9
85.02859	0.8
85.06529	2.5
91.05478	22.8
93.07047	17.7
94.04146	1.1
95.04971	24.1
95.06027	1.1
95.08606	33.5
96.04463	1.0
96.08933	0.9
97.06529	3.6
97.07594	0.8
100.02478	2.7
101.00871	6.4
101.02535	3.1
102.02220	2.2
103.05450	3.2
105.07031	28.8
107.04944	3.2
107.06073	3.3
107.08595	30.6
108.08866	1.0
109.02826	1.2
109.06515	32.3
109.07673	2.3
109.10159	18.4
110.07281	1.7
110.10469	1.0
111.09202	1.7
117.07006	2.7
118.03509	2.2
118.06534	1.0
119.01921	100.0
119.03648	3.4
119.04899	5.8
119.08580	32.0
120.01996	6.4
120.03252	2.1
120.05616	1.3
120.08116	8.8
120.08912	1.4
121.06497	1.9
121.07636	0.9
121.09305	1.4
121.10142	22.7
122.03603	1.6
122.07201	8.5
122.10439	1.0
123.04393	2.7
123.06705	1.3
123.08061	24.6
123.11708	15.2
124.02451	2.4
124.05095	1.3
124.08731	4.7
125.09527	1.3
127.07558	1.0
128.97804	2.3
131.48059	0.9
132.05836	0.8
133.02843	2.8
135.08018	3.0
135.11707	0.8
136.08708	1.0
137.02959	57.0
137.05994	6.7
137.09615	49.1
137.13245	3.1
137.98363	3.6
138.03076	4.8
138.05490	1.9
138.06575	1.5
138.10036	2.1
142.03499	67.5
142.96716	4.6
143.03625	6.4
145.10057	1.0
147.04399	8.0
147.08040	4.9
147.11691	19.9
148.04944	0.9
148.07510	1.9
148.08665	4.7
148.12059	1.4
150.10419	4.0
150.56017	0.8
160.04550	28.2
161.01189	2.4
161.04709	2.9
165.01787	2.1
165.05292	9.4
165.06982	16.0
165.09033	13.5
165.11440	4.3
165.12744	73.6
166.04950	1.8
166.06256	1.0
166.07655	3.1
166.09735	1.2
166.13106	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	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.65982	0.4
55.01875	1.4
55.05509	4.1
56.96562	0.8
57.03431	2.4
57.07071	3.1
58.33611	0.4
59.04996	0.7
60.56239	0.4
61.37711	0.4
65.03944	0.9
67.05501	11.0
69.03431	1.2
69.07060	4.8
70.75822	1.3
71.04993	0.9
71.08635	1.2
79.05486	7.0
81.03415	0.6
81.06571	1.0
81.07053	17.8
82.07404	0.6
83.04972	3.1
83.08622	2.4
86.49005	0.4
88.64941	0.4
91.05475	8.4
93.07037	11.5
94.04198	0.6
95.04967	8.4
95.08602	17.2
96.08964	0.4
97.06517	1.2
101.00854	2.1
103.05486	0.6
105.07034	10.4
107.04937	1.5
107.08594	10.8
108.05726	0.6
109.06515	20.9
109.10148	17.4
110.07202	0.6
110.10519	0.6
111.08023	0.5
117.07035	1.1
119.01920	19.1
119.04922	0.5
119.08574	20.7
120.02007	1.5
120.08126	1.0
120.08907	1.1
121.06490	1.4
121.10140	24.3
122.07289	7.4
122.10460	0.8
123.08063	11.7
123.11702	6.2
124.08586	0.9
133.07590	0.5
135.08020	2.4
137.02974	9.2
137.09608	100.0
137.13245	1.5
138.03052	0.6
138.09946	3.7
142.03490	11.3
142.96667	0.9
143.03561	1.0
147.04408	0.9
147.08023	1.0
147.11682	7.4
148.08675	0.9
148.11905	0.5
150.10391	6.0
152.25327	0.5
160.04541	4.2
161.04700	0.6
165.05357	0.9
165.07761	0.8
165.09076	3.8
165.12744	41.8
166.08466	0.5
166.13046	1.8
171.78326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03937	2.8
54.03469	1.7
55.01858	2.7
55.05509	7.9
56.05040	4.5
56.96565	10.2
57.03425	2.3
57.07070	3.4
58.06587	2.7
58.82943	0.7
59.05006	1.0
59.06112	2.3
65.03927	2.8
66.03466	1.1
67.03001	0.8
67.05500	22.9
68.05028	6.9
68.99789	1.4
69.03423	5.5
69.04549	1.9
69.07066	7.1
69.54800	6.0
70.06599	7.3
71.04990	16.8
77.03925	0.8
77.12563	0.8
79.05490	28.1
80.05015	3.2
80.05831	0.8
80.94923	1.2
81.03423	4.3
81.04543	5.0
81.05827	1.0
81.07056	36.6
82.05312	1.6
82.06588	3.6
82.07378	1.1
83.04991	5.1
83.06102	10.6
83.93036	1.5
85.02904	1.0
85.06544	11.0
85.07656	3.8
91.05477	35.1
92.03118	0.7
92.05818	1.4
93.04560	0.8
93.07040	31.2
94.04169	1.6
94.06557	1.7
94.07356	1.1
95.01325	0.8
95.04964	14.9
95.06097	4.0
95.08604	32.0
96.05667	1.0
96.08128	0.8
96.08876	0.8
97.02881	0.9
97.06538	6.2
97.07637	5.0
98.07174	1.9
98.97563	2.0
100.02486	1.8
101.00858	8.3
102.02222	1.2
103.05437	5.7
105.03413	1.0
105.04498	1.1
105.07026	44.1
106.07372	1.3
107.04930	2.5
107.06068	6.3
107.08595	32.2
108.04459	1.6
108.05645	1.6
108.08881	0.9
109.02882	1.4
109.06519	16.8
109.07643	5.5
109.10152	9.6
110.06046	1.9
110.07225	3.6
111.04427	1.3
111.05602	1.0
111.09214	3.3
116.98634	2.2
117.07038	3.5
118.03457	1.6
119.01920	100.0
119.04897	6.9
119.08575	44.0
119.95123	1.3
120.01991	8.4
120.05523	1.4
120.08105	23.9
120.08885	2.1
121.02206	1.0
121.06509	2.5
121.07607	4.6
121.10139	21.1
122.03678	1.3
122.07167	10.2
123.04424	3.5
123.05591	0.9
123.06697	1.0
123.08064	20.5
123.11724	7.5
124.02469	2.6
124.05114	1.7
124.08719	10.6
125.05936	1.6
125.07122	1.0
125.09490	5.2
127.07481	1.0
128.97856	1.1
132.53036	0.8
133.02859	2.6
133.06480	2.0
134.99661	2.0
135.07974	1.0
136.08714	1.7
137.02959	65.6
137.05945	6.7
137.09605	11.4
137.13249	2.7
137.98360	1.5
138.03061	5.0
138.05499	2.0
138.06628	2.5
138.09245	1.1
138.10194	3.7
138.46480	0.7
142.03499	68.3
142.96663	5.7
143.03673	6.9
145.10167	1.6
147.04399	15.8
147.05516	1.4
147.08058	7.6
147.11687	26.4
148.03868	1.4
148.04945	0.9
148.07568	1.3
148.08682	9.2
156.77223	0.8
160.04558	32.8
161.01254	2.8
161.04640	3.8
165.01862	2.6
165.05487	10.0
165.07710	3.8
165.09097	17.4
165.11371	12.2
165.12764	48.7
166.04912	5.3
166.08568	4.4
166.09760	2.7
166.13226	1.7
177.00710	1.5
183.06114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.67064	0.4
52.79980	0.5
53.03952	0.8
55.01877	2.0
55.05506	4.1
56.96566	1.5
57.03436	2.8
57.07066	2.8
59.05011	0.7
65.03935	0.8
66.95746	0.4
67.05503	12.5
69.03426	1.6
69.07072	4.9
71.04990	0.5
71.08637	1.4
71.40218	0.6
77.03928	0.6
79.05491	7.6
80.05038	0.5
81.03421	0.8
81.07053	19.5
82.06607	0.6
82.07404	0.6
82.27081	0.5
83.04987	3.3
83.08598	2.4
85.06609	0.5
85.07645	0.5
88.03555	0.4
91.05473	8.2
92.05785	0.4
93.07046	12.6
93.07632	0.9
95.04961	8.2
95.08601	19.9
96.05743	0.7
96.08928	0.8
97.06528	1.5
99.08105	0.5
101.00888	2.5
101.02563	0.7
101.82970	0.4
103.05482	1.1
105.07025	10.8
105.07668	0.7
107.04961	1.3
107.08594	11.6
108.05768	0.8
109.06517	21.0
109.10147	18.4
110.07320	1.1
117.07035	1.7
119.01918	20.5
119.04903	0.6
119.08577	20.7
120.02071	1.1
120.08103	1.2
120.08887	0.6
121.06483	1.6
121.10139	25.2
122.07286	8.6
122.10525	0.6
123.08074	12.5
123.11710	6.6
124.02440	0.7
124.08704	0.6
127.07656	0.5
133.07611	0.4
134.25685	0.5
135.08060	2.7
136.54282	0.5
137.02962	9.0
137.09610	100.0
137.13187	2.3
137.89735	0.5
138.03021	0.9
138.09943	3.7
142.03499	14.2
142.96735	1.1
143.03699	1.1
145.10194	0.6
147.04446	0.7
147.08060	1.7
147.11703	8.9
148.08693	0.8
150.10391	6.0
160.04549	6.0
161.04678	0.7
165.01833	0.5
165.05437	1.1
165.07790	1.0
165.09102	4.2
165.12746	41.7
165.16338	1.3
166.05067	0.6
166.13150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03936	2.1
53.68496	1.2
55.01865	2.6
55.05508	7.9
56.96562	8.6
57.03438	5.8
57.07061	2.0
65.03920	1.7
67.05504	38.3
69.03418	3.4
69.07056	10.2
70.05019	2.9
70.05418	2.2
71.04986	2.8
77.03958	1.2
79.05054	2.0
79.05492	32.2
80.77011	1.2
81.07054	75.0
82.07383	1.5
83.04977	9.9
83.08606	2.5
85.06538	3.5
89.46722	1.0
91.05475	40.5
92.05760	1.7
93.07042	40.1
94.07394	1.3
95.04967	16.5
95.08601	25.3
96.08952	1.3
96.97988	1.0
97.06548	8.7
99.08075	1.6
100.02482	1.6
101.00864	8.8
101.02554	2.2
103.05466	1.5
104.03110	1.2
105.07025	63.9
106.07336	2.2
107.08588	24.7
109.06506	15.4
109.10104	5.2
109.79147	1.0
119.01918	79.4
119.04958	1.2
119.08576	57.0
119.24324	1.1
120.01962	6.0
120.03262	1.3
120.08118	1.5
120.08915	2.4
121.06612	1.1
121.10137	61.1
122.03094	1.4
122.07201	1.5
122.10461	2.1
123.08072	10.4
123.11720	10.2
124.02379	1.6
130.04649	1.5
130.21338	1.0
134.04868	2.4
137.02951	31.5
137.05977	2.2
137.09615	5.2
137.13216	1.9
137.98349	1.8
138.03081	3.1
142.03494	48.4
142.96675	4.6
143.03607	5.0
143.05405	11.8
145.10155	2.1
147.04367	2.7
147.11684	100.0
148.12000	2.5
152.05946	4.9
154.56137	1.3
160.04550	20.5
161.01253	2.1
165.05397	2.2
165.07782	2.5
165.08980	6.8
165.12747	82.8
166.13116	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01852	3.2
55.05506	15.3
56.05020	3.0
56.96554	6.5
57.03430	6.1
57.07074	6.0
58.06580	1.3
59.04980	2.8
59.06094	1.7
60.00610	1.2
65.03922	4.3
66.03450	1.5
66.04710	2.0
67.05498	42.4
68.05022	5.2
69.03426	11.0
69.04539	1.6
69.07063	12.3
69.42709	9.2
70.03754	1.4
70.06592	6.2
71.04969	4.0
77.03899	1.7
79.05486	31.9
80.05002	4.1
81.03419	7.1
81.04529	3.7
81.07052	51.0
82.06560	2.9
83.04991	6.5
83.06106	9.0
83.08595	4.3
83.93052	1.1
85.02919	1.0
85.06523	2.2
85.07656	2.2
86.08418	1.2
91.05474	47.8
92.05817	1.4
93.07037	43.9
94.04165	1.5
94.07359	1.1
95.04964	59.4
95.06050	3.3
95.08598	40.9
96.04469	1.1
96.05575	1.4
97.06490	4.1
97.07642	5.9
98.07194	1.7
98.21443	1.7
99.09148	1.1
100.02517	1.3
101.00874	7.8
103.05476	6.4
105.03362	4.2
105.04510	2.4
105.07024	41.0
106.07385	1.7
107.04958	8.1
107.06068	6.0
107.08587	46.6
108.05692	2.8
108.08879	1.9
109.02856	2.3
109.06509	36.3
109.07617	5.7
109.10150	10.7
110.07233	2.4
111.04413	1.3
111.09187	3.7
117.07037	5.6
118.03453	1.9
119.01913	85.2
119.04927	12.7
119.08573	61.6
119.72568	1.1
120.01958	6.0
120.05642	1.2
120.08099	24.5
120.08905	1.6
121.06461	3.8
121.07601	3.4
121.09319	1.3
121.10136	21.0
122.03654	1.6
122.07164	7.9
123.04396	4.1
123.06708	2.0
123.08060	41.2
123.10816	1.3
123.11703	26.5
124.08717	10.4
125.09455	2.9
127.07549	1.2
129.07033	2.1
130.06483	3.1
132.05672	3.2
133.02786	6.1
133.06461	3.1
135.04378	2.1
135.08002	1.9
136.08711	1.6
137.02957	49.9
137.05933	10.8
137.09598	10.9
137.13271	6.2
137.98373	1.4
138.03040	3.3
138.05505	1.4
138.06598	2.0
138.10220	3.2
142.03488	53.4
142.96675	3.7
143.03645	5.3
145.10065	1.6
147.04407	20.6
147.08031	21.5
147.11678	23.5
148.07535	1.3
148.08669	9.5
160.04541	21.3
161.04620	1.6
165.01801	1.8
165.05481	23.0
165.07660	6.2
165.09081	24.6
165.11378	11.8
165.12726	100.0
166.04945	4.1
166.08551	10.3
166.09514	1.4
166.13040	4.1
172.91924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02371	0.7
53.03945	2.9
54.03471	1.6
55.01864	4.4
55.05511	3.6
56.05038	6.0
56.50219	0.7
56.96561	5.6
57.03436	1.3
57.04556	1.0
57.07065	0.7
58.06592	2.5
59.06120	1.9
65.03948	1.5
66.03487	0.8
66.99957	0.7
67.05505	11.3
68.05026	8.3
68.59652	0.6
68.99771	0.7
69.03432	3.9
69.04559	1.6
69.07066	1.7
70.06593	7.2
70.57909	2.7
71.05003	3.9
71.06119	1.3
77.03932	1.0
79.05493	20.7
80.05011	4.6
80.05794	0.8
81.03422	2.4
81.04545	6.4
81.05800	0.7
81.07054	13.0
82.05335	0.8
82.06575	5.8
82.07348	0.8
82.99770	0.9
83.04998	1.5
83.06106	10.8
83.93041	1.3
84.08122	0.7
85.02898	1.0
85.06544	2.3
85.07669	4.6
86.08451	0.7
91.05479	27.8
93.04553	0.8
93.07039	7.8
94.04185	2.6
94.06562	1.2
95.01352	0.8
95.04976	10.0
95.06085	4.4
95.08608	10.6
96.04527	0.7
97.06508	1.6
97.07658	5.8
98.07176	4.1
98.20805	0.9
99.05556	0.9
100.02480	1.5
101.00867	8.9
103.05475	9.8
105.03414	1.6
105.04512	1.9
105.07030	77.5
106.07362	2.1
107.04969	4.4
107.06071	8.2
107.08584	6.9
108.05676	1.6
108.06878	1.5
109.02925	1.1
109.06528	9.1
109.07637	5.9
109.10159	8.6
110.07156	2.3
111.09178	3.9
115.05448	1.2
116.98586	1.2
117.07025	4.2
118.03505	1.6
119.01920	100.0
119.04915	9.2
119.08575	27.3
119.95142	0.7
120.02007	5.9
120.05556	1.2
120.08115	6.3
120.08864	1.0
121.06610	1.6
121.07638	4.9
121.10130	5.4
122.03651	7.3
122.07207	13.3
123.04465	3.9
123.05352	0.6
123.06722	1.3
123.08075	8.0
123.11674	1.8
124.02412	1.6
124.05163	2.8
124.08730	12.4
125.07165	1.2
125.09499	7.1
128.06343	0.7
128.97934	0.9
129.07028	2.2
133.02847	4.1
133.06491	53.8
134.06833	1.3
134.99672	0.9
135.08006	0.8
136.08690	1.7
137.02966	60.7
137.05971	60.3
137.09616	22.4
138.03082	3.9
138.05464	1.4
138.06494	2.1
138.09207	1.1
138.10229	3.8
142.03499	63.9
142.96716	5.3
143.03642	4.8
147.04408	16.0
147.08047	7.8
147.11707	4.7
148.04977	1.5
148.07553	1.6
148.08682	11.4
150.06703	1.7
160.04564	28.2
161.01192	1.3
161.04672	2.2
165.01913	1.7
165.05481	15.0
165.07802	3.2
165.09109	73.4
165.11365	18.6
165.12767	9.1
166.04985	3.1
166.06252	0.8
166.08395	1.1
166.09781	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02395	0.2
53.03943	0.5
54.03476	0.3
55.01863	0.5
55.05508	0.6
56.05026	1.3
56.96558	0.8
58.06593	0.5
59.06121	0.5
64.92828	0.2
65.03925	1.7
67.02953	0.2
67.05504	1.8
68.05031	1.7
68.99830	0.2
69.03431	0.5
69.04549	0.4
69.07082	0.5
70.06586	1.2
70.25209	0.2
71.59988	0.2
71.60378	0.2
71.60725	0.2
75.36536	0.2
79.05486	1.5
80.05013	1.0
81.03416	0.6
81.04533	1.4
81.07052	1.8
82.05338	0.3
82.06577	1.0
83.04989	0.7
83.06100	2.2
85.02901	0.2
85.07661	1.2
86.08480	0.2
89.87225	0.2
91.05478	24.8
92.05808	0.8
93.07037	1.2
94.04184	0.2
94.06567	0.4
95.04976	3.5
95.06058	0.9
95.08609	1.4
96.05678	0.2
96.06870	0.2
97.02880	0.2
97.06480	0.2
97.07666	1.2
98.07159	0.6
98.97585	0.2
100.02506	0.2
101.00880	1.1
103.05467	0.8
104.05001	0.2
105.03384	0.6
105.04527	0.3
105.07027	1.9
107.04942	0.6
107.06060	1.7
107.08589	0.6
108.05639	0.4
108.06874	0.2
109.02866	0.3
109.06515	1.2
109.07622	1.3
109.10145	1.4
110.07158	0.5
111.09203	0.6
115.05399	0.2
117.07004	0.3
119.01923	16.0
119.04939	48.2
119.08580	3.9
120.01974	0.5
120.04528	0.3
120.05317	1.3
120.08103	1.6
121.06517	0.4
121.07620	1.1
121.10156	0.4
122.03638	0.4
122.07166	1.9
123.04430	4.8
123.08049	1.5
123.11698	0.2
124.02470	0.4
124.08707	2.1
125.05912	0.3
125.09509	1.1
133.02835	1.1
133.06471	0.7
134.99594	0.2
136.08716	0.4
137.02962	8.8
137.05959	2.6
137.07024	0.3
137.09613	1.8
138.03065	0.3
138.05450	0.2
138.06563	0.2
138.10254	0.8
142.03496	10.9
142.96715	0.5
143.03609	0.2
147.04404	100.0
147.08031	1.5
147.11652	0.5
148.04770	3.1
148.08672	2.1
160.04555	4.5
161.04652	0.3
164.04227	0.2
165.01802	0.3
165.05455	3.3
165.07652	0.6
165.09097	3.2
165.11365	3.6
165.12727	0.9
166.04956	0.3
166.09763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02364	0.3
52.55419	0.2
53.03944	2.4
55.01870	0.4
56.05042	0.4
56.96565	1.0
65.03940	0.8
65.92632	0.7
67.05489	0.7
71.04990	0.5
71.10548	0.5
73.06547	0.3
74.02443	0.4
74.88074	0.2
75.04488	0.5
77.03934	0.9
80.94962	0.9
81.03435	0.3
81.07057	0.8
81.80014	0.2
84.04492	0.3
84.08162	0.3
89.57066	0.2
91.05479	17.5
92.05813	0.5
93.07049	1.8
94.04173	0.3
95.04967	63.5
96.05284	1.2
100.59664	0.2
101.00861	1.5
103.05467	5.0
105.04516	1.1
109.06519	3.8
115.02458	0.5
115.52303	0.2
119.01926	8.9
119.04942	50.8
120.02003	0.4
120.05241	1.2
120.08129	0.3
121.06518	1.9
121.07319	0.3
121.97531	0.5
123.04426	100.0
124.04778	2.2
124.93880	0.5
132.52745	0.2
133.03368	0.3
137.02966	3.7
137.05995	2.0
142.03499	6.0
142.94910	0.3
143.03566	0.4
147.04408	16.9
148.04776	0.5
158.96317	0.3
160.04556	3.6
160.95987	0.6
165.05463	2.5
165.09453	0.2
166.07217	1.0
167.05540	0.3
184.04648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01870	0.7
55.42624	0.4
56.05029	3.3
56.96567	2.8
57.03427	0.6
57.05363	0.8
57.21730	0.5
58.80907	0.5
58.99872	0.9
60.45864	0.5
60.89960	0.5
63.92931	0.9
65.03926	1.2
65.92628	3.0
66.61574	0.4
67.05499	1.5
69.03433	1.3
70.06556	0.6
70.31699	1.5
74.02446	3.9
75.02699	0.7
77.00924	1.0
77.03942	0.8
78.95280	0.6
79.05491	1.1
80.94965	5.0
81.03416	0.8
81.07059	1.7
82.99845	0.8
83.93693	1.0
84.04477	1.1
85.02929	0.7
86.06091	0.5
91.05479	20.0
93.07062	2.5
95.04967	80.1
95.08551	0.5
96.05285	1.2
98.96020	0.8
100.02489	0.9
101.00875	11.7
102.00980	0.6
102.05546	2.4
103.05435	7.8
105.04515	1.5
105.07026	0.6
107.04977	1.1
109.02885	0.7
109.06525	4.6
115.02452	0.9
118.03510	1.1
119.01921	81.0
119.04939	53.1
119.08575	1.1
120.02017	3.0
120.05257	1.6
120.08103	27.4
121.06513	1.8
121.96870	0.4
121.97589	3.9
123.04427	100.0
124.02444	3.3
124.04785	2.4
124.93917	2.8
131.01930	1.2
133.03511	0.7
137.02956	30.4
137.05948	3.3
137.09567	0.7
138.03047	1.2
141.95667	0.5
142.03497	44.1
142.94949	2.1
143.03598	1.9
147.03227	0.8
147.04404	16.9
149.02827	0.7
160.04556	17.1
160.95988	3.5
161.01288	1.1
161.02962	1.2
161.04689	0.7
165.05432	3.9
165.09090	1.0
166.08585	0.7
173.01338	0.5
173.02879	0.7
178.11649	0.6
181.02116	0.5
183.97546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.03459	0.1
56.05032	0.3
59.06135	0.2
62.70984	0.2
65.03941	1.6
67.05499	0.5
68.05026	0.3
69.67569	0.5
69.68002	0.5
70.06587	0.2
73.65794	0.1
79.05491	0.2
80.05009	0.2
81.04546	0.5
81.07058	0.5
82.06573	0.2
83.06109	0.6
91.05479	24.9
92.05822	0.5
93.07036	0.2
95.04967	2.4
95.06079	0.3
95.08611	0.4
97.07635	0.3
105.04559	0.2
107.06068	0.4
109.07671	0.2
109.10140	0.3
110.07191	0.2
111.07967	0.2
111.09174	0.2
116.40804	0.1
118.34785	0.2
119.01946	3.2
119.04941	51.4
120.02032	0.3
120.05254	1.3
122.07159	0.7
123.04433	3.6
123.06651	0.3
123.07961	1.2
123.09181	0.4
124.05093	0.2
124.08721	1.4
125.09491	0.5
133.02876	0.2
137.02959	1.6
137.05887	0.1
138.02972	0.1
138.10300	0.3
142.03485	2.2
143.03571	0.1
147.04407	100.0
148.04750	2.7
148.08717	0.6
160.04524	1.1
165.05556	0.9
165.07686	0.5
165.09108	0.8
165.11368	1.6
165.12704	0.3
178.46564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88493	0.3
57.37832	0.4
63.69899	0.4
66.78009	0.4
71.02032	0.5
71.02348	0.9
82.99812	0.9
97.63000	0.4
100.02470	1.2
101.00873	17.1
102.00929	0.8
102.83438	0.5
119.01917	100.0
120.01983	3.3
121.02391	0.6
124.02456	1.3
127.96437	0.4
137.02950	33.5
138.03067	0.9
142.03496	31.2
143.03665	1.3
159.49919	0.5
160.04562	11.6
161.04677	0.8
161.72020	0.4
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	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03955	3.8
55.01870	0.7
55.42624	0.4
56.05029	3.3
56.96567	2.8
57.03427	0.6
57.05363	0.8
57.21730	0.5
58.80907	0.5
58.99872	0.9
60.45864	0.5
60.89960	0.5
63.92931	0.9
65.03926	1.2
65.92628	3.0
66.61574	0.4
67.05499	1.5
69.03433	1.3
70.06556	0.6
70.31699	1.5
74.02446	3.9
75.02699	0.7
77.00924	1.0
77.03942	0.8
78.95280	0.6
79.05491	1.1
80.94965	5.0
81.03416	0.8
81.07059	1.7
82.99845	0.8
83.93693	1.0
84.04477	1.1
85.02929	0.7
86.06091	0.5
91.05479	20.0
93.07062	2.5
95.04967	80.1
95.08551	0.5
96.05285	1.2
98.96020	0.8
100.02489	0.9
101.00875	11.7
102.00980	0.6
102.05546	2.4
103.05435	7.8
105.04515	1.5
105.07026	0.6
107.04977	1.1
109.02885	0.7
109.06525	4.6
115.02452	0.9
118.03510	1.1
119.01921	81.0
119.04939	53.1
119.08575	1.1
120.02017	3.0
120.05257	1.6
120.08103	27.4
121.06513	1.8
121.96870	0.4
121.97589	3.9
123.04427	100.0
124.02444	3.3
124.04785	2.4
124.93917	2.8
131.01930	1.2
133.03511	0.7
137.02956	30.4
137.05948	3.3
137.09567	0.7
138.03047	1.2
141.95667	0.5
142.03497	44.1
142.94949	2.1
143.03598	1.9
147.03227	0.8
147.04404	16.9
149.02827	0.7
160.04556	17.1
160.95988	3.5
161.01288	1.1
161.02962	1.2
161.04689	0.7
165.05432	3.9
165.09090	1.0
166.08585	0.7
173.01338	0.5
173.02879	0.7
178.11649	0.6
181.02116	0.5
183.97546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
56.04781	1.3
56.05034	17.8
56.06279	2.4
56.59089	0.9
56.96560	5.2
57.02177	10.4
57.05806	3.0
58.02962	4.2
58.06591	1.5
59.06050	0.9
60.04535	5.1
63.92944	42.7
67.05483	1.1
69.03450	1.1
70.06585	3.2
70.77597	2.6
70.77945	1.0
71.04983	1.4
71.07373	6.6
72.08156	100.0
73.06544	3.6
73.08476	3.0
74.02441	96.4
74.06071	3.1
75.03220	59.1
78.95278	68.9
80.05000	1.0
81.07086	1.1
81.93981	9.2
82.06581	15.4
82.57007	0.8
83.04962	2.1
84.05762	1.1
84.08123	1.3
84.40467	0.9
85.02878	1.1
86.06055	3.4
89.04780	1.0
91.05488	5.1
95.04974	11.1
95.06060	1.0
96.96317	7.0
98.97563	0.9
100.02467	1.2
100.07626	9.3
101.00887	6.4
101.08436	0.8
102.05545	8.8
104.03468	12.0
109.07639	1.9
111.04478	0.9
116.03425	1.1
116.98605	1.2
117.07857	8.6
118.03493	1.5
118.08656	40.8
119.01923	50.2
119.04939	8.7
119.97888	36.9
121.05103	1.1
121.07614	1.1
122.04352	0.8
122.07140	1.0
122.94209	32.1
123.04424	16.8
128.07079	7.8
130.08614	2.3
132.06581	1.6
137.02957	23.3
137.04526	1.0
137.06029	0.8
140.95242	20.5
142.02412	1.9
142.03497	29.2
146.08160	1.0
147.04388	4.2
149.06833	13.6
150.01787	1.1
158.96309	46.9
160.04549	10.4
163.96832	7.0
164.04364	1.9
164.05713	2.2
164.09224	9.8
164.10594	1.3
165.04070	1.0
165.05345	1.3
176.97391	2.1
181.97899	12.4
182.99673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	94.7
57.05367	1.4
61.89917	0.5
63.02714	1.6
70.83994	1.0
70.84329	0.6
74.02440	32.1
74.06078	30.4
84.04501	13.0
85.02897	3.2
100.02460	0.5
101.00869	1.5
102.05538	100.0
103.05876	2.1
110.57313	0.4
118.01137	0.5
118.03526	0.5
119.01917	9.4
137.02937	3.5
140.55986	0.5
142.03481	3.4
160.04507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	WF 5239
Peak:m/z	Relative Intensity
50.76047	0.2
51.02394	0.3
53.03945	2.7
53.04172	0.3
54.03488	0.3
55.01892	0.7
55.05511	1.2
56.05027	0.3
56.96562	1.2
57.03460	0.2
57.07096	0.6
58.06597	0.2
65.03949	0.7
67.05497	1.7
68.05032	0.4
69.03445	0.8
69.07079	0.9
69.29932	2.3
70.06598	0.5
77.03941	0.6
78.04709	0.3
79.05485	3.4
80.05031	0.8
80.05855	0.3
81.03413	1.3
81.04563	0.3
81.07054	5.7
81.07517	0.4
82.06574	0.4
83.04999	0.3
83.06065	0.5
83.08642	0.3
85.06570	0.4
90.04279	0.3
91.05480	10.5
92.05816	0.4
93.05782	1.3
93.07047	6.7
93.07618	0.4
94.06579	0.6
94.07395	0.7
95.04967	6.2
95.06055	0.4
95.08598	1.9
96.05287	0.3
100.02464	2.1
101.00900	0.8
103.05489	0.3
104.05811	0.4
105.03394	0.7
105.04491	1.1
105.07026	2.5
106.07347	0.6
107.04965	0.7
107.06115	0.3
107.08592	6.6
107.29507	0.2
108.04521	0.5
108.05312	0.7
108.08144	3.4
108.08949	0.7
109.06525	3.0
109.07659	0.3
109.10175	0.9
116.04994	0.2
116.98656	0.3
117.07067	0.3
118.03516	1.6
118.06596	0.3
118.07377	0.4
119.01920	7.6
119.04948	0.6
119.08585	2.8
120.08893	1.7
121.06525	0.7
121.10132	1.6
122.03678	0.3
122.06030	0.6
122.07178	0.6
122.09695	0.3
122.10502	0.9
123.04423	0.3
123.08067	1.4
123.11710	1.6
124.02437	0.3
124.08688	0.4
125.09507	0.3
126.05511	2.9
128.48030	0.2
130.06541	0.4
132.05244	0.4
133.02859	0.8
134.06918	0.5
135.04478	0.3
136.07573	100.0
137.02951	4.7
137.05980	0.9
137.07942	3.2
137.09622	0.6
137.13193	0.3
138.91374	0.2
140.07062	4.0
142.03513	5.7
146.05983	0.3
146.10516	1.1
147.04419	0.7
147.08049	0.3
147.11685	1.2
148.08603	0.2
149.09305	0.2
150.06180	0.2
158.96268	0.2
160.04582	2.5
164.03226	0.4
164.04433	0.6
164.07050	13.7
164.08148	0.9
164.11580	3.7
164.14304	0.4
165.05484	3.7
165.07520	0.7
165.09100	1.2
165.11430	0.5
165.12738	3.5
173.57729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01593	0.6
51.02385	1.0
53.03942	3.3
54.03460	1.8
55.01862	2.3
55.05510	17.6
56.05032	1.3
56.96555	2.2
57.03436	1.7
57.07070	5.0
58.06600	0.8
60.95845	1.2
63.02362	0.9
63.92922	0.6
64.60397	0.6
65.03932	1.5
65.98102	0.6
67.05499	6.3
68.05019	2.5
69.03439	3.0
69.07066	34.1
69.50796	5.2
70.06579	0.7
70.07384	0.9
71.05003	0.9
71.08614	0.8
77.03916	1.5
78.95269	0.7
79.05490	30.7
79.05955	1.6
80.04996	1.9
80.05851	1.0
81.03430	1.9
81.04533	4.7
81.07053	11.5
82.05306	2.3
83.04977	0.8
83.06099	1.4
83.08615	9.8
85.02901	1.4
89.03913	26.3
90.04281	1.5
90.13059	0.7
91.05476	26.3
92.05002	0.7
92.05792	1.2
93.07038	40.9
94.06544	0.7
94.07353	1.4
95.04970	12.1
95.06084	5.9
95.08601	11.5
95.09166	1.3
96.06860	2.4
97.07645	2.6
100.02490	5.1
102.96894	0.7
103.05461	23.7
104.05790	0.9
105.03355	1.6
105.04507	3.8
105.07027	32.7
106.06563	1.5
107.04951	30.3
107.06110	2.1
107.08588	100.0
108.04512	0.8
108.05658	3.4
108.08190	1.1
108.08799	1.5
108.09382	4.2
109.06512	5.0
109.07661	3.6
109.10167	5.9
115.05442	4.2
117.03374	20.8
117.05744	1.1
117.07000	11.5
118.03509	4.6
118.06544	1.3
118.07347	0.9
119.04940	2.1
119.06059	2.8
119.08571	15.4
120.05658	3.8
120.08089	1.0
120.09318	0.8
120.97894	1.3
121.06504	6.6
121.10138	86.5
121.96628	1.2
122.07158	9.0
122.10400	3.1
123.05515	1.1
123.07991	7.7
128.06230	1.0
129.06920	1.0
130.06522	2.7
130.07764	5.5
131.04918	21.8
132.05252	1.4
132.08098	2.3
133.02829	4.8
133.06471	1.0
133.07556	1.0
133.10100	2.3
134.10945	0.9
135.04414	48.0
135.08044	8.8
135.11687	32.8
136.04762	2.4
136.07568	4.0
136.08691	6.8
136.11090	0.7
136.12051	1.5
137.07048	1.0
137.09695	0.8
138.98892	1.2
139.01817	1.4
143.08563	1.5
145.01724	1.4
145.02852	15.1
145.03960	1.8
145.06450	3.7
145.08394	0.8
145.10118	20.4
146.03362	0.8
146.06039	1.1
146.07065	3.4
146.10431	1.2
147.07990	1.1
148.08821	1.2
148.12408	0.7
163.03900	56.9
163.07556	18.2
163.09761	14.7
163.11172	30.2
163.12305	1.6
163.14812	28.7
164.04251	2.6
164.07045	2.5
164.08128	1.9
164.10350	0.8
164.11649	1.2
164.15100	1.7
181.02849	1.5
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	Geijeren
Peak:m/z	Relative Intensity
51.02370	1.7
53.03946	4.9
54.03472	1.6
54.53763	0.9
55.01874	4.4
55.05515	11.9
56.05029	1.0
56.96553	3.2
57.03439	1.9
57.07061	3.4
62.92991	0.8
63.92939	0.9
64.54326	0.7
65.03940	2.1
67.05503	8.2
68.05015	2.5
69.03425	6.9
69.07067	28.4
69.49757	7.5
71.04975	1.9
73.02946	1.0
77.03945	0.9
78.95271	1.7
79.05492	32.8
80.05004	2.5
81.03448	2.1
81.04539	5.3
81.07056	18.7
82.05317	2.2
82.06574	1.2
83.04975	1.5
83.06091	1.5
83.08614	10.9
84.08163	1.0
85.02925	1.2
89.03922	18.3
90.04239	1.2
91.05479	26.9
91.92075	0.8
92.02599	0.9
92.04999	1.1
93.04505	1.2
93.07043	52.4
94.06544	1.1
94.07395	1.7
95.04970	15.7
95.06077	6.4
95.08611	15.0
96.06872	2.4
97.07652	2.3
100.02482	14.3
103.05466	30.0
105.03381	4.3
105.04512	3.8
105.07028	28.8
106.06535	2.1
106.07312	1.1
107.04956	22.8
107.06087	2.8
107.08591	100.0
108.05572	3.8
108.08188	1.1
108.08870	2.7
108.09477	1.4
109.06520	5.1
109.07651	2.3
109.10147	3.6
115.05458	3.4
117.03387	13.6
117.05725	1.2
117.07014	11.9
118.03519	14.9
118.06516	1.1
119.04947	2.7
119.06078	2.4
119.06855	1.1
119.08573	16.8
119.97888	0.9
120.05638	2.7
120.08113	1.4
120.08849	1.1
120.97897	1.5
121.06523	9.6
121.10140	77.6
121.57220	0.9
121.95757	0.9
121.96619	1.1
122.07145	12.8
122.09626	1.1
122.10474	3.3
123.07991	6.8
129.07033	1.1
130.06535	3.8
130.07738	4.8
130.69958	0.9
131.03903	1.8
131.04918	30.2
132.05249	1.8
132.08061	5.2
133.02838	9.8
133.06474	2.5
133.07497	1.4
133.10112	1.9
135.04414	44.6
135.08064	8.7
135.11696	25.2
136.04776	1.6
136.07568	2.5
136.08688	5.6
138.98969	1.2
139.01826	2.0
141.24879	0.9
143.08597	1.4
145.02859	13.7
145.03966	2.3
145.06506	3.6
145.10114	20.5
146.07117	3.3
147.08047	1.6
147.09113	0.9
148.05211	1.1
148.08867	4.4
158.96373	1.1
163.03905	79.1
163.04980	3.3
163.07541	22.2
163.09801	14.6
163.11188	66.6
163.12270	3.3
163.14815	32.1
164.04462	4.0
164.07059	3.6
164.08224	2.1
164.11536	3.9
164.15251	0.9
179.76959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02370	1.1
53.03946	7.7
54.53905	0.5
55.01865	1.1
55.05513	6.7
56.96564	0.7
57.03428	0.6
57.07066	1.3
61.02923	0.5
65.03949	0.7
67.05503	17.2
69.03419	0.7
69.07069	7.2
69.55858	3.5
74.38988	0.5
77.03905	2.5
79.05493	41.6
80.05802	1.0
81.03418	1.3
81.07056	27.8
82.01416	1.0
82.07372	0.5
83.08623	4.1
85.02894	1.0
89.03930	0.6
91.05481	11.8
92.02608	4.0
93.07043	41.1
93.21703	0.4
94.07364	1.4
95.04970	23.1
95.08604	24.3
96.05293	0.7
96.08966	0.6
97.06496	0.4
97.10157	1.5
100.02483	12.3
103.05444	1.4
105.03403	6.9
105.04503	4.1
105.07022	4.8
106.06536	0.6
107.04957	4.7
107.08592	34.4
108.08925	0.9
109.06500	1.4
109.10158	1.8
117.03358	0.7
117.06998	2.5
118.03518	10.4
119.04942	1.9
119.08577	3.3
121.06487	1.8
121.10143	42.5
122.09623	0.7
122.10481	1.4
123.04081	1.3
123.08057	1.0
130.06560	1.3
130.07790	0.8
131.04933	0.8
132.08075	1.7
133.01825	0.8
133.02852	27.0
134.03189	1.6
135.04416	30.2
135.08058	2.8
135.11693	6.3
136.04776	1.5
136.07562	0.7
138.03082	1.2
141.05095	2.2
145.06444	1.0
145.10127	2.6
163.03903	100.0
163.07501	2.3
163.11180	12.1
163.12366	0.8
163.14819	29.1
164.04309	5.9
164.07053	1.3
164.10570	0.6
164.15173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01593	0.5
51.02372	1.1
52.97004	0.5
53.03709	0.5
53.03946	7.3
54.17067	0.4
55.01855	1.4
55.05507	6.8
56.96541	0.9
57.07061	1.4
61.02929	0.5
65.03929	1.0
67.05505	20.0
67.05868	1.1
68.05833	0.7
69.03406	0.6
69.07063	9.0
71.11556	1.0
72.48006	0.4
73.02875	0.6
76.65392	0.4
77.03925	1.9
79.05491	48.6
80.05806	1.6
81.03403	1.2
81.07054	33.4
82.01451	0.9
82.07375	0.8
83.08627	4.6
91.05478	11.5
92.02625	4.2
92.05808	0.7
93.07041	47.1
94.07367	1.7
95.04968	21.6
95.08604	31.3
96.05283	1.2
96.08929	0.7
97.06515	0.5
97.10159	1.1
98.97542	0.5
100.02480	10.6
103.05447	3.9
105.03393	5.9
105.04488	4.0
105.07028	3.9
106.06491	0.6
107.04955	5.6
107.08591	38.5
108.08938	1.0
109.06502	1.4
109.10130	2.5
115.05470	0.9
117.07008	1.8
118.03516	12.0
118.06498	0.5
119.04942	1.2
119.08568	2.2
119.32039	0.5
121.06529	1.3
121.10140	49.2
121.95784	0.5
122.09665	1.0
122.10496	1.7
123.04031	1.7
130.06519	1.4
131.04938	3.4
132.08093	1.8
133.02849	25.9
133.10217	0.5
134.03140	1.5
135.04414	28.2
135.08072	1.6
135.11688	6.3
136.04767	1.5
136.07590	0.7
138.03099	1.5
139.96765	0.4
141.05080	1.3
145.02895	0.7
145.06490	1.2
145.10124	1.8
147.08057	0.5
152.97690	0.5
163.03903	100.0
163.07483	2.8
163.11143	7.7
163.12343	0.8
163.14825	35.0
164.04341	5.2
164.07022	1.5
164.10599	1.1
164.15166	1.6
184.56584	0.5
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	Geijeren
Peak:m/z	Relative Intensity
50.01593	0.8
51.02359	1.4
52.99211	0.6
53.03942	8.2
55.01865	2.0
55.05506	11.3
56.96531	0.9
57.03442	1.4
57.07058	2.3
61.02915	5.0
64.34039	0.6
65.03931	1.2
67.05499	31.2
69.03419	2.7
69.06722	1.0
69.07066	13.9
73.02901	3.2
77.03902	2.0
79.05489	69.6
80.05818	1.7
81.03410	1.9
81.07050	50.2
82.01435	1.1
82.07386	1.2
83.04992	0.7
83.08617	8.3
85.02901	3.6
89.03900	1.0
91.03936	2.4
91.05474	18.5
92.02612	5.1
92.05808	0.9
93.07037	70.5
94.07365	2.1
95.04350	1.4
95.04965	26.6
95.08598	44.2
96.05308	1.2
96.08929	1.3
97.02872	1.3
97.10146	2.2
100.02480	13.1
103.05451	2.9
105.03377	5.1
105.04497	4.5
105.07021	7.6
106.06542	0.9
107.04964	6.2
107.08585	65.7
108.08935	1.4
109.06499	1.5
109.10152	2.8
113.46233	0.6
115.05419	1.0
116.02010	0.6
117.03377	0.8
117.05692	0.8
117.07006	3.5
118.03514	11.6
118.07394	0.8
119.04965	0.9
119.08572	4.3
121.06482	2.8
121.10133	79.3
122.09658	0.9
122.10477	2.0
123.04038	1.2
130.06517	1.6
130.07761	1.7
131.04930	2.1
132.08067	2.7
133.02846	27.2
133.10118	1.1
134.03181	1.1
135.04407	29.8
135.08076	2.0
135.11682	9.3
136.04797	1.5
136.07564	0.7
141.05070	1.3
145.06459	0.7
145.10123	5.9
163.03893	100.0
163.07550	2.4
163.11160	17.8
163.14812	61.7
164.04347	5.6
164.06999	0.7
164.15149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	0.7
52.20867	0.5
53.03946	7.0
55.01862	1.7
55.05509	5.3
56.96543	0.7
57.03431	0.7
57.07075	1.0
61.02921	3.9
65.03925	1.1
67.05506	12.8
69.03419	1.0
69.07063	5.6
71.60475	0.5
71.60861	0.6
73.02901	1.5
77.03922	2.1
79.05490	37.2
80.05792	0.6
81.03403	1.0
81.07053	24.3
82.01432	0.8
82.07399	0.6
83.08617	2.7
85.02904	3.6
85.70188	0.5
88.13168	0.4
89.03918	0.6
90.55883	0.5
91.03944	1.0
91.05477	9.0
92.02625	4.1
93.07044	31.9
94.06535	0.6
94.07423	0.6
95.04967	21.9
95.08604	21.6
95.09061	0.3
95.09236	0.7
96.05289	0.8
96.08932	0.6
97.02872	1.3
97.10152	0.8
100.02479	11.6
103.05469	2.0
105.03391	5.8
105.04482	3.7
105.07031	4.2
107.04955	5.8
107.08598	26.8
108.08933	0.8
109.06509	1.6
109.10133	1.4
115.05448	0.5
117.05750	0.8
117.07015	2.3
118.02663	0.6
118.03523	10.8
119.01816	0.5
119.04942	0.8
119.06087	0.6
119.08575	2.5
120.02132	0.5
121.06510	1.5
121.10139	36.0
122.09705	1.0
122.10467	0.7
123.04057	1.4
130.06532	1.5
130.07796	1.2
131.04907	1.6
132.08075	1.9
133.02852	26.7
133.10202	0.6
134.03175	0.9
135.04414	27.8
135.08043	1.3
135.10767	0.8
135.11681	4.7
136.04747	1.8
136.07555	0.6
138.03111	1.3
141.05098	1.8
145.02905	0.6
145.04019	0.7
145.06465	2.0
145.10147	4.2
163.03902	100.0
163.07483	2.9
163.11176	10.8
163.12413	0.8
163.14822	25.5
164.04312	5.9
164.07085	1.2
164.15181	0.6
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
50.01597	0.5
51.02396	0.7
53.00313	0.5
53.03946	2.9
53.36742	0.3
55.01873	4.6
55.05507	3.0
55.92765	0.3
56.05041	0.6
56.96573	1.2
57.03441	1.8
57.07065	0.4
65.03953	1.5
67.05508	2.9
68.05047	0.7
68.99802	0.7
69.03424	8.7
69.04555	0.4
69.07073	2.4
70.20797	1.7
71.05004	1.3
74.06079	0.4
77.03925	0.9
78.04733	0.4
78.95287	0.5
79.05492	25.2
80.05025	0.7
81.03426	0.9
81.04533	1.2
81.07057	11.8
82.05308	0.8
83.04994	2.2
83.06112	0.7
85.02896	0.6
89.03929	4.3
90.07620	0.4
91.05476	24.4
92.02612	0.7
92.05775	0.8
92.06274	1.1
93.04541	0.5
93.07044	21.7
94.07355	0.6
95.04964	14.8
95.06051	2.2
95.08598	2.4
96.06892	0.9
97.07662	0.9
100.02499	1.5
102.04668	0.6
103.05466	34.7
104.05801	1.3
105.03394	1.5
105.04494	1.9
105.07030	29.6
106.06584	0.7
106.07288	0.8
107.04953	100.0
107.08590	27.5
107.52876	0.5
108.05337	3.0
108.08092	0.5
108.08867	0.5
109.06540	2.5
109.07648	1.3
115.05456	12.0
116.06251	0.8
117.03374	3.3
117.05737	0.7
117.07014	11.5
117.07838	0.7
118.03504	1.4
119.04955	1.3
119.06062	1.6
119.07777	0.7
119.08578	9.3
120.05710	10.1
120.08100	0.5
120.09386	0.7
121.06516	8.6
121.10143	23.2
121.96653	0.7
122.07155	4.2
122.10458	0.5
123.07980	2.4
128.06204	1.0
129.07014	1.3
130.06555	1.3
130.07776	8.4
131.04932	16.0
132.05292	0.6
132.08076	1.1
133.02856	3.1
133.06505	5.0
133.10107	1.7
135.04430	10.2
135.05443	0.5
135.08054	23.0
135.11693	14.2
136.04776	0.4
136.07545	1.2
136.08633	3.3
136.11948	0.6
138.98982	0.4
139.01822	0.5
143.08556	2.0
145.02821	2.5
145.03888	0.7
145.06442	1.9
145.07623	2.5
145.10117	30.9
146.07069	0.9
146.10490	1.1
147.08031	1.9
148.05183	0.5
148.08771	1.5
163.03912	16.9
163.07552	18.4
163.09790	6.8
163.11153	51.9
163.14793	1.2
164.04291	0.7
164.07034	1.3
164.08144	0.9
164.11609	2.3
181.02821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03939	3.1
53.92326	0.4
54.03465	0.7
55.01877	2.7
55.05508	5.9
56.96559	2.2
57.03422	1.5
57.07063	1.4
65.03932	2.2
67.05491	3.7
68.05014	1.5
69.03425	7.7
69.07066	6.6
70.58162	1.5
71.04993	1.1
77.03929	0.6
79.05489	24.1
80.05013	0.9
81.03396	1.5
81.04528	2.4
81.07053	7.6
82.01434	0.5
82.05320	1.4
83.04975	2.6
83.06115	0.9
83.08625	1.0
85.02895	0.9
89.03912	6.0
91.05476	31.1
92.02615	0.9
92.05798	0.9
93.07039	54.6
94.07346	1.0
95.04968	14.2
95.06074	3.3
95.08611	3.4
96.06894	1.2
97.07642	1.8
100.02489	2.0
102.96845	0.8
103.05466	27.4
104.05746	0.7
105.03400	2.4
105.04493	2.9
105.07023	28.6
106.06570	1.1
106.07252	0.9
106.07893	0.6
107.04951	31.6
107.06119	1.2
107.08587	100.0
108.05630	2.5
108.08200	0.9
108.08921	2.7
109.06509	5.0
109.07651	2.0
109.10168	0.6
115.05444	5.3
117.03355	4.7
117.05752	0.7
117.07019	11.4
118.03531	1.9
119.04951	0.8
119.06101	2.6
119.08571	16.9
120.05707	3.0
120.08107	0.7
120.09367	1.8
121.01607	0.6
121.06503	8.9
121.09331	1.3
121.10132	25.8
121.96633	1.0
122.07161	5.4
122.10490	1.1
123.05724	0.5
123.08002	3.8
126.01543	1.0
128.06189	0.6
129.07018	1.1
130.06544	2.1
130.07780	5.3
131.04927	26.2
132.05247	0.8
132.08073	1.7
133.02855	6.4
133.06514	1.9
133.07472	0.5
133.10139	2.0
135.04408	14.9
135.08067	11.5
135.11685	84.3
136.04828	0.8
136.07576	5.1
136.08673	4.4
136.12080	3.4
137.06015	0.5
137.09599	1.1
139.01810	1.2
143.08553	1.9
145.02841	2.9
145.03963	1.3
145.06480	3.7
145.07568	1.1
145.10118	22.2
146.07088	2.1
146.10478	0.7
147.08022	1.2
147.09079	0.6
148.08778	1.6
163.01863	0.9
163.03899	33.4
163.07545	16.0
163.09790	8.0
163.11142	51.6
163.14838	4.3
164.04445	1.5
164.07045	2.2
164.08252	0.8
164.11572	2.0
181.02838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01599	1.1
50.48275	1.0
53.03946	6.2
54.03456	3.2
55.01866	7.2
55.05509	16.2
56.05005	1.6
56.96564	50.4
57.03420	4.0
57.07055	3.9
59.47839	1.1
63.92933	1.2
65.03928	4.8
65.15248	1.1
67.05508	23.2
68.05020	2.6
69.03428	17.1
69.07058	11.9
69.48814	9.4
71.04976	2.5
71.95278	1.2
73.02918	2.6
74.97602	1.6
77.03926	3.3
77.95020	1.1
78.95268	2.6
79.05490	44.2
80.04999	2.4
81.03417	2.8
81.04530	3.3
81.07054	32.2
82.01445	1.5
82.05331	2.8
82.07370	1.1
83.04974	4.9
83.06095	1.5
83.08604	4.1
85.02902	3.3
89.03914	18.0
91.05480	42.0
92.05769	1.2
93.03345	1.4
93.07044	79.1
94.07846	1.5
95.04970	24.6
95.06052	6.7
95.08612	16.9
96.06860	2.2
97.06505	2.2
97.07644	4.1
97.99152	1.5
98.01333	1.0
98.03129	1.4
98.97572	2.9
100.02467	13.8
100.99100	1.2
101.14126	1.0
103.05465	68.7
104.05807	2.8
105.03376	5.6
105.04505	6.1
105.07032	38.8
106.06557	3.4
107.02578	4.0
107.04955	38.4
107.06052	2.4
107.08593	73.4
108.04493	1.2
108.05548	3.7
108.08875	2.4
109.02304	3.0
109.06492	5.3
109.07641	2.7
109.10150	10.8
110.01294	3.0
110.03063	1.2
113.03617	2.0
114.03318	1.6
115.05455	7.1
116.03096	18.2
116.53256	3.7
116.98620	2.7
117.03360	12.8
117.05769	2.6
117.06141	1.4
117.07015	27.9
118.02795	2.2
118.03527	15.0
118.06490	1.1
118.07285	1.4
119.00185	1.4
119.01806	3.8
119.03613	1.4
119.04947	3.1
119.06069	2.4
119.07788	1.6
119.08577	17.7
119.97834	1.6
120.05618	2.7
120.08085	2.0
120.97908	1.4
121.06496	18.7
121.10143	29.3
121.96662	1.6
122.07178	11.9
123.03896	4.9
123.07962	5.8
126.04411	1.5
127.07410	1.1
127.53857	2.8
128.02299	4.7
128.04948	3.2
128.98622	1.5
129.05672	2.9
130.04607	3.0
130.06596	7.8
130.07753	7.0
130.52605	1.6
131.00180	2.4
131.04930	70.9
132.05290	2.5
132.08070	7.0
133.02864	13.5
133.06483	2.9
133.10107	1.7
134.99638	2.6
135.04422	42.2
135.05447	1.5
135.08038	21.1
135.11688	22.4
136.04755	2.4
136.07678	1.7
136.08658	5.6
137.05377	13.4
138.98943	1.7
139.53123	1.5
139.55688	2.0
140.95232	1.2
141.05109	1.3
142.04613	9.2
143.08504	1.7
145.02844	10.2
145.03896	2.0
145.06473	6.2
145.08372	4.2
145.10115	36.7
146.05927	4.4
146.07098	2.8
146.99632	1.9
147.08081	3.6
148.05168	1.5
148.08806	2.9
148.56241	2.2
149.01228	11.2
149.02307	1.6
151.05171	4.7
158.01236	2.8
158.96353	1.5
161.01233	2.1
162.55919	1.3
163.03905	97.4
163.04987	4.1
163.07541	46.5
163.09764	17.9
163.11145	100.0
163.12300	5.3
163.14824	16.8
164.03203	1.7
164.04393	3.6
164.07033	4.0
164.08183	1.8
164.11540	3.4
167.02266	6.2
171.03316	1.4
179.02235	1.8
181.02919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02370	0.5
53.03939	2.0
54.03471	0.6
55.01871	9.2
55.05507	3.8
56.96561	0.9
57.03416	0.8
57.07072	1.8
60.95836	0.5
61.02928	0.3
61.30250	0.2
65.03934	3.0
67.05499	2.8
68.05024	0.7
68.99782	0.4
69.03426	2.3
69.07072	2.6
70.06583	0.3
71.04964	0.5
71.60145	0.3
73.02916	0.3
77.03941	0.8
78.04682	0.4
78.95248	0.3
79.05490	14.2
80.05001	0.7
80.05818	0.3
81.03430	0.9
81.04534	1.3
81.07055	7.7
82.05316	0.9
82.06569	0.3
83.04983	1.1
83.06079	0.4
83.08608	0.8
84.08111	0.3
85.02894	1.0
89.03908	3.0
89.04411	0.3
89.06029	0.8
91.05478	13.0
92.02602	0.6
93.03407	7.3
93.04445	0.3
93.05788	0.9
93.07040	20.5
94.06546	0.5
94.07387	0.4
95.04351	0.4
95.04966	8.8
95.06046	1.8
95.08591	2.2
96.06853	0.8
97.02912	0.3
97.06512	0.3
97.07653	0.8
100.02477	1.8
102.96861	0.7
103.05465	12.7
105.03419	1.2
105.04509	1.7
105.07025	11.0
106.06551	0.8
106.07301	0.4
107.04948	17.1
107.06103	1.0
107.08589	16.9
108.04493	0.4
108.05554	1.3
108.08141	1.6
108.08883	0.4
109.06506	2.6
109.07653	0.8
115.05433	2.2
117.03374	1.7
117.05728	0.7
117.06123	0.3
117.07011	6.4
118.03541	1.2
119.01894	0.8
119.04941	1.2
119.08573	72.5
120.05670	1.6
120.08149	0.4
120.08881	2.0
120.97939	0.7
121.06490	4.9
121.10133	18.9
122.06033	0.5
122.07144	2.4
122.10468	0.4
123.07961	1.6
126.05513	1.1
127.07555	1.0
128.06213	0.3
129.07040	0.7
130.06528	1.0
130.07774	3.6
131.04922	12.9
132.05272	0.3
132.08090	1.5
133.02841	2.7
133.06483	11.7
133.10109	0.6
135.04416	7.7
135.05396	0.4
135.07153	0.2
135.08041	5.6
135.11684	5.7
136.07576	39.7
138.98959	1.0
139.01845	0.4
140.07068	1.4
143.01889	0.7
143.08510	1.2
145.02838	1.5
145.03914	0.5
145.06532	1.3
145.10114	20.1
146.07097	1.2
146.10452	0.7
147.08034	4.1
148.05214	0.3
148.08823	10.5
158.96332	0.4
161.02986	1.5
161.09669	0.4
163.03900	20.6
163.04968	0.8
163.07556	6.4
163.09853	5.0
163.11160	100.0
163.14758	2.6
163.36353	0.3
164.03242	0.5
164.04417	0.5
164.07034	5.9
164.08183	0.4
164.11537	4.0
181.02832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0866
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03931	0.9
54.03456	0.2
55.01867	0.9
55.05503	0.6
56.05026	0.5
56.96566	3.2
57.03438	1.2
57.07063	0.3
58.06572	0.2
58.18927	0.2
58.99577	0.2
59.04985	0.2
60.04525	0.3
61.01135	0.7
61.02922	1.1
62.92979	1.3
63.92932	1.2
65.03935	0.4
67.05492	1.4
68.05009	0.5
69.03433	2.9
69.04546	0.3
69.07048	0.4
70.06572	0.6
71.01367	0.3
71.04979	0.5
71.52381	0.3
72.04518	0.2
72.08160	1.0
73.02908	1.0
74.02422	0.7
74.06072	0.3
74.97607	0.2
75.02689	0.4
78.95280	2.0
79.05495	2.8
80.04996	0.4
81.03420	1.2
81.04530	0.7
81.07052	0.7
81.93987	0.4
82.05285	0.3
82.06570	0.3
83.01308	0.2
83.04965	0.3
83.06084	0.4
84.04517	0.2
84.08135	0.7
84.96026	0.3
85.02905	5.7
85.06519	0.5
86.99029	0.3
87.04470	0.3
89.03925	0.7
91.03954	0.2
91.05473	2.1
92.05018	0.9
93.04498	0.2
93.07026	1.1
94.06561	0.2
95.04974	2.1
95.06082	0.7
95.08586	0.3
96.06847	0.4
96.96310	0.5
97.00823	0.3
97.02895	1.5
97.07656	0.4
98.97569	1.3
99.04452	0.4
99.05579	0.5
100.02474	0.2
101.02423	0.2
102.05535	0.3
102.96857	0.2
103.05479	1.6
105.03387	0.7
105.04510	0.7
105.07021	0.7
106.06548	0.5
107.04951	3.4
107.06078	0.5
107.08586	1.3
108.05543	0.4
108.08160	0.2
109.02866	0.5
109.07607	0.5
115.05470	0.4
116.98611	1.3
117.03349	0.4
117.05739	0.5
117.06999	1.2
118.01052	0.2
118.03447	0.3
118.05070	0.2
118.06558	2.6
119.04942	0.6
119.06046	0.5
119.08583	0.5
119.97895	1.2
120.04486	0.2
120.05560	0.3
120.08108	0.4
120.97902	0.4
121.00817	0.4
121.01671	1.0
121.06477	0.7
121.10130	0.7
121.96630	2.4
122.07154	1.1
122.94212	0.4
123.07999	1.2
127.03927	0.5
128.98601	0.5
130.06523	1.1
131.04936	1.5
132.06915	0.2
132.08078	1.1
133.02863	1.9
133.07613	15.9
134.07935	0.3
134.99657	1.3
135.04414	3.5
135.05414	0.4
135.08017	1.1
135.11623	0.4
136.03851	0.3
136.07591	0.6
136.08687	1.1
138.98927	0.5
139.01791	1.5
139.02744	0.5
140.95238	0.6
145.02786	0.3
145.03932	0.3
145.06635	0.6
145.07602	16.7
145.10051	0.7
146.03445	0.2
146.04523	0.4
146.05991	0.2
146.07085	0.6
146.08328	1.5
146.99646	0.4
158.02995	0.3
158.96289	1.7
159.03291	1.0
161.04637	0.4
163.01741	0.5
163.03934	9.4
163.08662	100.0
164.03253	0.4
164.04427	0.4
164.05611	0.2
164.06981	0.3
164.09091	3.2
176.03967	0.3
177.00772	0.4
177.04372	0.4
179.91997	0.2
181.02864	2.1
181.97885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02378	0.5
51.70265	0.3
53.00298	0.4
53.03945	2.3
55.01876	1.7
55.05490	0.3
56.96565	0.5
57.03434	0.4
65.03948	0.4
67.05494	1.0
68.05015	0.5
69.03432	0.3
70.19726	1.1
77.03918	0.6
79.05492	12.1
80.05827	0.4
81.03396	0.4
81.04534	1.0
81.07068	0.7
82.05328	0.3
83.06111	0.4
89.03928	0.8
91.05482	11.2
92.06256	1.0
93.07049	1.7
94.04188	0.3
95.04967	6.0
95.06075	1.1
95.49554	0.3
96.06885	0.3
97.07663	0.7
98.21552	0.4
103.05468	30.0
104.05779	0.7
105.03387	0.4
105.04505	1.2
105.07030	10.0
107.04951	100.0
107.08593	2.9
108.05236	3.2
109.06533	0.4
109.07639	0.4
115.05453	9.9
116.06326	0.3
117.03371	1.0
117.07021	3.6
118.03519	0.3
119.04968	0.8
119.06123	0.5
119.08604	0.7
120.05726	8.0
120.08083	0.4
121.06541	1.3
121.10144	1.3
122.07165	1.8
122.65193	0.2
123.07945	0.7
129.32034	0.3
130.06532	0.3
130.07831	0.3
131.04924	10.8
132.05237	0.5
132.08064	0.4
133.02847	0.6
133.06494	2.2
135.04439	3.0
135.08051	18.2
135.11658	0.6
136.07617	0.4
136.08624	1.4
139.01692	0.3
145.06485	1.0
145.07626	2.1
145.10181	1.2
146.07153	0.7
148.05231	0.4
163.03900	5.4
163.05182	0.4
163.07550	10.6
163.09799	2.7
163.11185	2.1
163.12340	0.5
163.14818	0.6
164.06944	0.5
164.08128	0.4
175.02681	0.2
180.63127	0.2
181.02786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01618	0.3
51.02388	0.3
53.03951	1.8
54.03456	0.3
55.01866	1.4
55.05506	1.1
56.96571	0.7
62.01570	0.5
63.02359	1.7
65.03929	0.7
67.05501	1.2
69.03426	2.7
69.07058	1.0
71.04999	0.7
71.60638	0.6
76.06396	0.3
77.03939	0.3
78.86549	0.3
79.05489	15.1
81.04534	0.8
81.07056	3.3
82.05334	0.4
83.04994	0.6
83.06066	0.4
89.03914	70.7
90.04266	1.7
91.05478	5.0
93.07041	8.7
95.04959	6.5
95.06085	1.0
95.08606	0.9
96.06917	0.3
97.07652	0.5
98.97575	0.5
100.02485	1.2
103.05459	3.9
105.03390	0.6
105.04519	0.9
105.07026	4.2
106.06526	0.6
107.04953	18.9
107.06116	0.8
107.08589	9.7
108.05517	0.4
109.06500	0.7
115.05425	0.6
117.03374	53.2
117.07028	2.3
118.03672	1.5
119.04952	0.6
119.06087	0.3
119.08569	3.2
120.05612	1.1
121.06496	2.8
121.10143	4.0
121.96647	0.3
122.07162	1.8
123.08012	0.9
130.06552	0.8
130.07753	1.2
130.35965	0.3
131.04916	4.5
132.08083	1.0
133.02852	1.5
133.74649	0.3
135.04410	100.0
135.07982	2.3
135.11690	2.8
136.04739	2.8
136.08678	1.1
139.01825	0.3
145.02843	40.3
145.03847	1.6
145.06517	1.1
145.10120	5.7
146.03165	1.6
148.08771	0.4
158.06013	0.6
163.03897	80.2
163.07523	2.9
163.09789	3.0
163.11136	16.9
163.14780	1.6
164.04300	2.4
164.07033	0.4
164.11543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.01850	0.5
56.05027	1.2
57.03437	3.3
58.06602	1.4
59.07369	1.1
60.08162	43.0
61.02909	0.6
70.06589	11.8
70.15197	1.0
70.15588	1.3
72.04514	0.6
73.83814	0.5
84.04485	1.7
84.08133	0.5
85.02901	26.8
85.06535	1.0
93.01921	0.5
98.06051	7.5
98.21429	0.6
99.08075	0.7
102.09174	17.7
103.03938	56.5
112.08758	0.8
116.07071	1.4
121.04925	0.8
144.06517	1.6
157.76294	0.5
162.11247	100.0
163.11572	2.0
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	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	1.3
61.08098	0.4
63.02382	1.6
70.78349	0.9
70.78747	0.8
77.03929	0.5
79.05495	10.1
79.05956	0.6
89.03921	72.1
90.04277	1.8
91.05489	1.1
93.07047	0.7
95.04959	4.7
95.06043	0.9
97.07670	0.4
98.20856	0.5
102.29016	0.3
103.05468	3.3
105.04520	1.2
107.04959	14.1
107.08577	0.9
117.03384	57.5
117.07018	0.6
118.03687	1.8
119.04978	0.4
119.08530	0.4
121.06493	0.5
121.10111	0.5
122.07123	0.8
131.04947	3.7
133.02855	1.2
135.04419	100.0
136.04753	3.0
136.08641	0.5
139.01848	0.5
139.97444	0.4
145.02856	41.5
145.03873	1.7
146.03207	1.6
160.08078	0.7
163.03909	78.0
163.07532	1.8
163.09808	1.4
163.11069	0.8
164.04291	2.3
181.02826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.055
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
51.02402	0.4
53.03938	1.0
54.03481	0.6
55.05487	0.4
55.85920	0.4
55.93508	0.7
56.05027	1.5
56.96564	3.0
57.03423	1.1
58.06594	0.8
59.06115	0.8
60.04514	1.9
60.08148	1.7
60.95841	1.0
65.03931	1.2
65.88101	0.4
67.05512	0.4
68.05028	1.0
69.03412	1.9
69.90085	0.4
70.06577	1.6
70.26786	1.4
70.27188	0.8
70.81277	0.4
71.04998	0.4
72.04508	1.4
73.02917	0.9
74.06050	1.0
79.05492	7.4
80.05031	1.1
81.03407	0.8
81.04537	0.9
83.04998	0.5
83.06082	0.8
84.04489	1.9
85.02905	2.1
86.06045	1.3
87.05588	0.5
88.07607	0.9
89.03912	9.8
91.05474	3.2
91.36906	0.5
92.04996	1.3
93.03399	0.7
93.04535	0.6
93.07031	1.1
94.06591	0.4
95.04971	2.7
95.06072	0.8
95.54018	0.4
96.04502	0.5
97.00838	0.6
97.02892	1.1
98.06037	1.9
98.97583	0.6
100.22152	0.4
101.07114	0.9
102.05530	1.9
102.09167	1.0
102.96847	0.8
103.03941	2.7
103.05474	1.0
104.07114	0.7
105.03400	0.6
105.04489	0.5
105.07026	1.0
106.02902	0.4
106.06555	14.8
106.07287	0.8
107.04950	7.9
107.06085	1.1
107.08601	0.7
108.05592	0.6
109.07634	0.8
111.04420	1.8
116.04976	29.6
116.07082	1.4
116.98618	0.7
117.03378	4.9
117.05738	1.3
117.07044	1.1
118.06519	1.1
119.04848	0.6
120.01999	1.3
120.04462	3.2
120.05355	0.5
120.08077	1.4
120.96504	0.5
120.97904	1.9
121.00785	0.9
121.01704	1.3
121.10161	0.4
121.96655	0.8
122.07133	1.0
123.07919	1.0
131.04893	1.3
133.02843	1.4
133.05191	1.2
134.06012	51.7
134.09601	0.9
134.99677	1.1
135.04417	12.5
135.05414	0.7
135.06383	1.3
135.08133	0.4
135.11691	0.4
136.08669	1.2
138.03197	0.9
138.98933	4.7
139.01834	3.8
144.04443	28.5
144.05438	1.0
145.02855	4.3
145.04929	1.4
145.06268	0.6
145.09726	0.7
146.07135	0.8
146.99734	0.7
156.96182	0.5
156.99997	1.5
162.05495	100.0
162.09009	4.0
162.11267	3.4
163.01775	1.0
163.03902	17.8
163.06113	2.4
163.07520	1.5
163.09846	2.0
163.11087	0.9
180.04535	1.4
181.02856	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.65964	0.2
51.02365	0.3
53.03941	0.7
55.01864	0.5
55.05509	6.6
56.96557	1.0
65.03934	0.4
66.04729	0.4
67.05497	1.2
69.03418	0.3
69.06714	0.3
69.07065	3.5
71.59250	0.3
76.16617	0.2
78.93146	0.2
79.05491	4.7
81.03428	0.2
81.07056	5.6
83.08630	0.3
85.02934	0.3
91.05477	11.0
92.05837	0.4
93.04528	0.4
93.07045	3.2
95.04967	1.2
95.08587	0.6
97.02886	0.4
98.97572	1.2
103.03953	0.2
103.05466	4.2
104.06243	0.7
105.07027	38.7
106.06570	0.4
106.07349	1.0
107.04931	0.4
107.06081	0.3
107.08602	1.8
115.05444	2.8
116.98615	0.9
117.07016	3.6
118.04168	2.0
119.01923	0.4
119.08575	100.0
120.05576	0.6
120.08105	0.5
120.08868	2.8
121.06421	1.3
121.10133	2.9
126.59431	0.2
128.06204	0.9
130.07820	0.3
131.04930	0.7
131.08565	3.1
132.09286	0.3
133.06503	4.8
133.10126	23.0
134.06035	0.5
134.07095	1.1
134.10442	1.0
134.99655	1.0
143.08524	1.0
144.09229	0.3
145.10104	0.4
146.03627	0.5
146.07227	0.7
146.10899	1.5
158.99724	0.2
159.11693	1.1
161.05972	4.2
161.08208	0.9
161.09605	5.8
161.13251	31.8
162.05391	1.1
162.06671	0.3
162.11266	0.3
162.13606	1.3
177.00687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	1.4
55.05499	2.4
58.94194	0.8
65.03890	0.8
67.05501	23.1
69.03423	1.0
69.07048	2.5
70.79894	2.4
79.05492	32.2
81.07051	26.8
83.08584	1.2
85.72048	0.7
87.05383	0.9
91.05473	34.5
93.07038	13.6
95.04954	2.6
95.08603	14.5
103.05439	1.4
105.07024	37.4
106.07359	1.0
107.08567	3.6
115.05466	1.4
117.06995	3.1
118.04182	0.9
119.08577	43.2
127.39803	0.8
131.08556	2.7
133.06447	1.7
133.10126	35.6
134.10469	1.2
146.03542	1.0
159.11662	3.7
161.05962	2.8
161.07181	1.4
161.09631	3.5
161.13248	100.0
162.05438	1.0
162.13585	3.5
180.14230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05511	4.5
65.03930	1.1
67.05502	15.9
69.07069	6.7
69.35374	0.8
69.35775	3.7
79.05490	17.2
81.07054	22.9
82.07375	0.4
83.08596	0.6
91.05478	57.9
92.05814	1.5
93.07040	17.8
95.04977	2.1
95.08604	8.9
103.05466	2.3
104.06197	0.6
105.07027	85.7
106.07372	1.5
107.08584	4.8
115.05470	1.3
116.09096	0.5
117.07018	8.5
118.04158	0.6
118.07774	0.5
119.08575	100.0
120.08148	0.7
120.08786	2.9
121.06484	0.4
131.08574	4.3
132.09357	2.0
133.06477	1.4
133.10126	64.5
134.10498	2.4
143.08517	0.7
145.10130	0.9
146.03635	0.8
146.10902	1.2
159.11670	3.0
161.05949	1.7
161.09622	4.0
161.13248	80.3
162.05513	0.7
162.13594	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.93974	0.6
53.03944	1.1
55.05511	6.0
57.07054	0.7
58.06691	0.7
65.03928	1.2
65.07854	0.6
67.05165	1.2
67.05505	16.3
69.07070	6.9
71.20633	1.2
79.05492	17.3
81.07060	25.6
82.07382	0.6
83.08644	1.0
91.05484	56.5
92.05807	1.4
93.07047	18.7
95.04977	1.4
95.08604	7.7
103.05461	1.5
105.07032	78.8
106.07368	2.2
107.08608	4.4
114.02837	0.6
115.05409	0.9
117.07020	8.5
117.23258	0.5
119.08584	100.0
120.08864	1.3
131.08553	3.3
132.09297	2.0
133.10132	65.4
134.10487	2.0
138.32780	0.8
145.10103	0.9
146.10880	1.3
153.40073	0.6
159.11693	2.8
161.05981	0.9
161.13258	91.7
162.13591	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03930	1.6
55.01859	1.2
55.05505	6.1
67.05502	16.6
69.03439	1.3
69.07076	6.7
72.22602	0.9
78.93108	2.8
79.05491	23.7
81.07063	24.2
83.08608	1.3
83.78657	1.0
91.05483	58.1
93.07040	19.5
95.04962	3.2
95.08599	8.8
103.05470	2.6
105.07031	89.0
106.07382	1.7
107.04922	1.1
107.08592	4.6
115.05444	4.1
117.07017	9.8
118.04162	2.0
119.08580	100.0
119.95750	1.1
120.08852	2.3
121.06350	1.2
128.06180	1.4
131.08542	5.1
132.09370	2.3
133.06482	4.8
133.10132	62.2
134.08083	1.3
134.10468	1.9
137.96773	1.5
143.08527	3.5
146.03664	2.9
146.07272	3.9
146.10893	2.2
159.11674	3.2
161.05978	8.2
161.07126	3.0
161.09627	20.5
161.13261	89.6
162.05537	3.4
162.09013	1.6
162.13593	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.01592	0.2
51.02368	0.3
52.77385	0.2
53.03939	0.7
55.01863	1.0
55.05512	6.3
56.96557	1.1
57.03410	0.3
59.06118	0.3
60.04528	0.2
60.08171	0.4
65.03947	0.2
66.03452	0.2
66.04726	0.3
67.05489	1.1
68.01103	0.2
69.03422	0.5
69.07066	3.1
71.01330	0.2
71.59095	0.2
72.04515	0.3
74.06085	0.3
77.03930	0.3
79.02978	0.2
79.05492	4.8
81.07054	3.2
82.05302	0.2
84.04501	0.7
84.08029	0.2
85.02905	0.6
90.04706	0.2
91.05479	10.4
92.05811	0.3
93.04522	0.9
93.07052	2.3
94.05314	0.2
95.04992	0.9
95.08616	0.4
96.04482	0.2
97.02882	0.2
98.06038	0.5
102.04591	0.3
102.96885	0.2
103.03949	0.4
103.05472	3.7
104.06246	0.8
105.03445	0.3
105.07030	31.4
106.06635	0.3
106.07365	0.9
107.03455	0.3
107.04965	2.1
107.06063	0.3
107.08582	1.4
113.02332	0.5
115.04028	0.3
115.05460	5.1
116.04971	0.2
116.07092	0.3
117.07024	4.7
118.03388	0.5
118.04167	4.5
118.06516	0.4
118.07819	0.4
118.52995	0.2
119.01911	0.7
119.08579	100.0
120.05577	0.8
120.08073	0.3
120.08876	3.5
120.97879	0.4
121.06413	1.8
121.08863	0.3
121.10143	3.1
128.06207	0.9
129.07014	0.4
130.07809	0.3
131.04926	1.9
131.08575	3.0
131.10091	0.2
132.05692	0.3
132.09328	0.2
133.06499	5.3
133.10129	21.1
134.03601	0.2
134.06015	0.5
134.07103	1.8
134.10469	0.6
137.96835	0.3
138.98907	0.5
143.04953	0.3
143.05998	0.3
143.08556	1.0
144.04498	0.2
145.06427	0.4
145.10114	0.3
146.03624	5.3
146.07304	1.1
146.10893	1.4
147.04366	0.2
159.11739	1.1
161.05984	19.4
161.08197	1.6
161.09602	7.1
161.13255	25.9
162.03244	0.2
162.06366	1.0
162.09116	0.8
162.11269	0.6
162.13548	1.0
171.35016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.33068	0.6
53.03937	1.6
55.05516	5.3
56.96548	0.9
65.03928	0.8
65.98009	0.6
67.05505	16.7
69.07066	8.3
70.86679	1.6
74.67715	0.6
79.05492	18.5
81.07055	19.7
82.07405	0.7
83.08609	1.1
91.05480	54.4
92.05801	1.1
93.07045	19.2
94.07349	0.7
95.04963	2.6
95.08610	10.4
103.05468	1.5
105.03395	0.8
105.07028	84.9
106.07376	2.2
107.04922	0.9
107.08594	3.9
115.05428	2.9
117.07021	9.0
119.08578	100.0
120.05577	0.9
120.08927	2.4
121.06409	1.1
128.06250	1.0
128.20198	0.6
131.08563	4.1
132.09357	1.1
133.06470	2.3
133.10127	60.4
134.07111	0.8
134.10464	1.8
143.08553	0.8
145.10056	1.0
146.10890	0.8
159.11699	2.2
161.05981	2.6
161.09613	5.7
161.13255	86.9
162.13596	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	2.9
55.05508	7.4
56.96563	1.4
58.99588	9.2
59.06113	0.5
60.04515	2.0
61.01151	0.7
65.03970	0.5
66.03445	0.4
66.04718	1.0
67.05505	1.9
69.03422	0.6
69.07070	7.5
71.15900	1.3
72.08152	0.5
76.03999	1.5
76.43642	0.5
78.93109	0.8
79.05492	16.7
80.05820	0.5
81.07053	4.5
83.08613	0.6
84.04501	0.6
85.02901	1.2
86.99054	4.7
88.02222	1.3
89.03910	1.2
90.04692	2.1
91.05479	15.8
92.02595	0.5
92.05812	0.7
93.04525	1.3
93.07040	4.2
95.04984	4.9
95.08606	1.1
97.02893	0.5
98.97456	0.5
102.00945	0.5
102.05502	0.5
102.96908	0.7
103.03948	1.0
103.05468	17.9
105.07028	100.0
106.06655	0.7
106.07374	3.4
107.04928	0.8
107.06069	1.0
107.08604	2.8
113.02359	0.8
115.05448	18.3
116.01685	7.9
117.07034	5.6
118.04156	15.5
118.07782	0.8
118.98206	0.6
119.01920	1.3
119.08578	77.7
120.05595	2.0
120.08101	0.8
120.08938	1.7
120.97861	0.6
121.06409	4.2
121.10135	3.9
128.06227	1.5
129.07031	0.7
131.04906	5.2
131.08557	5.8
132.05655	1.5
132.09326	0.9
133.06491	32.6
133.10127	41.6
134.06053	0.8
134.07062	4.1
134.10480	1.2
137.02945	0.6
137.96838	0.5
138.76840	0.5
138.98947	1.5
141.12627	0.5
143.04977	1.0
143.06050	2.1
143.08556	2.2
144.01123	1.0
145.10095	1.0
146.03625	4.5
146.07224	1.5
146.10941	2.9
159.11681	2.2
161.05980	31.1
161.07014	1.6
161.08203	3.0
161.09604	15.6
161.13252	55.0
162.05406	1.4
162.06572	1.1
162.08994	1.0
162.10164	0.9
162.11310	1.0
162.13585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.0
53.17535	0.4
55.05514	6.6
63.64902	0.4
65.03936	0.8
67.05503	18.1
69.07070	7.3
71.22535	1.1
77.07035	0.4
79.05489	18.0
79.53789	0.4
81.07054	23.6
82.07409	0.9
83.08607	0.9
91.05479	54.0
92.05781	1.2
93.07043	19.5
94.03561	0.5
94.07346	0.6
95.04955	2.4
95.08601	10.0
103.05458	1.4
104.06289	0.5
105.07029	78.5
106.07343	2.5
107.08592	5.4
115.05415	0.8
117.07011	7.1
118.07867	0.6
119.08579	100.0
120.08786	2.2
131.08556	5.2
132.09315	2.2
133.10126	60.5
134.10464	1.8
143.08578	0.5
145.10094	1.1
146.03539	0.5
146.10936	1.1
159.11720	2.6
161.05975	0.6
161.09619	1.9
161.13254	88.4
162.13573	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	1.4
55.05492	1.8
56.96540	0.8
58.05360	0.6
58.71058	0.6
67.05499	2.5
69.03434	5.2
69.07066	1.6
70.22848	2.8
78.93121	2.6
79.05496	5.1
81.07063	5.7
83.08636	0.7
91.05481	15.0
92.05803	0.6
93.07035	5.1
95.04968	0.8
95.08596	1.7
103.05462	1.4
105.07030	56.2
106.07356	1.5
107.04935	2.3
107.08556	1.4
115.05442	2.6
116.06214	0.8
117.07037	3.6
119.08581	22.7
119.95744	1.5
121.06502	15.6
122.06747	0.6
128.06221	5.4
129.25630	0.6
131.04919	2.2
131.08545	3.0
132.05695	1.3
133.06526	5.4
133.10127	35.7
134.06001	1.1
134.10471	1.3
137.96805	1.2
141.07007	0.6
143.08591	7.8
145.06482	2.9
146.03629	1.1
146.07266	24.3
147.07622	1.4
159.07964	1.5
161.06007	5.3
161.09622	100.0
161.13248	20.1
162.05482	2.3
162.10132	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01860	0.8
55.05500	1.5
56.96550	0.5
67.05503	4.3
69.03429	7.3
69.07065	1.6
70.48466	0.4
70.67168	1.4
79.05492	5.7
81.07061	5.1
91.05480	16.6
93.07041	6.2
95.04932	1.3
95.08594	2.2
98.21449	0.7
103.05454	1.4
105.07030	50.5
106.07365	1.4
107.04958	2.1
107.08585	1.3
115.05440	1.5
117.06999	3.4
118.04171	0.6
118.07774	0.7
119.08579	24.1
119.95742	0.8
120.08852	0.5
121.06504	14.6
128.06227	7.6
131.04926	2.9
131.08566	3.1
132.05698	1.6
133.06519	2.7
133.10130	32.8
134.10466	1.1
137.96770	1.0
141.06992	0.6
143.08566	8.9
143.87297	0.5
145.06474	4.6
146.03624	1.1
146.07265	25.5
147.07616	1.1
158.79672	0.5
159.08044	1.2
159.11737	0.8
160.07524	0.5
161.06041	2.5
161.09616	100.0
161.13246	18.2
162.05496	1.1
162.10010	4.2
162.13568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02374	0.4
53.03954	1.7
55.01872	5.2
55.05504	0.7
56.05029	0.5
56.96572	1.4
57.03428	0.6
59.06117	1.0
60.04520	0.9
63.02397	0.3
65.03931	0.7
66.04725	2.2
67.05506	0.3
69.03415	0.6
70.68488	0.6
71.01344	0.2
72.04514	0.5
74.06052	0.3
77.03928	0.5
78.04717	0.3
78.93128	0.4
79.03031	0.3
79.05493	21.5
80.05820	0.5
81.03471	0.3
81.07065	0.4
83.06123	0.6
84.04512	0.9
85.02909	0.8
85.07712	0.3
86.06071	0.4
89.03918	1.3
90.04697	3.5
91.05486	5.5
92.02627	0.9
93.04545	0.9
93.07061	0.5
94.04206	0.6
94.05328	0.3
95.04967	6.1
97.02870	0.4
98.06055	0.5
98.97605	0.4
101.07146	0.5
102.04703	0.8
102.05543	0.7
103.05469	25.5
104.05770	0.7
105.04546	1.1
105.07030	100.0
106.06596	0.5
106.07371	2.6
107.04938	1.5
107.06068	0.4
113.02390	0.6
113.07162	0.3
115.05456	28.1
116.05776	0.7
116.98598	0.4
117.07008	0.6
118.04163	19.8
118.06496	0.4
119.01907	1.4
119.04477	0.3
119.08582	2.9
120.05617	1.2
120.06421	0.3
120.97932	0.6
121.06389	2.1
121.08879	0.3
128.06227	0.3
131.04921	5.3
132.05753	1.5
133.06490	52.8
133.10104	2.4
134.06053	0.4
134.07013	2.4
134.99670	0.4
137.02977	0.8
137.96898	0.3
138.98988	0.9
139.01817	0.4
143.04922	0.7
143.06035	4.0
143.08490	0.4
144.06537	0.3
146.03612	0.8
146.07300	0.6
161.05989	11.4
161.08206	2.1
161.09590	4.1
161.13228	1.4
162.05466	0.9
162.06607	0.3
162.09077	0.7
162.11334	0.4
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
51.02373	0.3
51.51205	0.3
53.03294	0.4
53.03943	2.6
55.01873	4.8
58.99588	2.4
60.04514	0.3
65.03928	0.4
66.04725	1.2
70.66405	1.0
73.51004	0.5
76.04009	0.4
77.03930	0.9
79.05494	20.7
80.05845	0.5
81.07081	0.5
85.02916	0.4
86.99054	1.4
88.02195	0.4
89.03916	1.0
90.04692	3.9
91.05484	5.2
92.02626	0.8
95.04980	5.5
97.02920	0.4
102.04723	0.7
103.05468	25.4
104.05773	0.6
105.07030	100.0
106.07361	2.9
107.04957	1.1
115.05455	27.8
116.01691	2.7
116.05779	0.7
118.04160	18.7
119.04432	0.4
119.08607	1.6
121.06410	0.9
131.04935	4.1
132.05707	0.7
133.06491	52.4
133.10162	1.6
134.06844	1.8
137.47507	0.3
143.04999	0.7
143.06027	4.3
146.03612	0.9
147.75885	0.4
161.05989	10.5
161.08200	0.8
161.09615	2.3
161.13246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03949	3.2
55.01870	4.9
66.04713	1.4
69.65677	1.6
69.66086	0.9
74.58192	0.3
77.03913	0.6
79.05492	20.9
80.05840	0.6
89.03922	1.2
90.04701	5.0
91.05476	3.5
92.02623	1.0
95.04972	5.5
96.73421	0.3
98.75945	0.4
100.34259	0.4
102.04688	1.0
102.34521	0.4
103.05470	28.4
104.05779	0.6
105.04527	1.1
105.07027	100.0
106.07362	2.9
107.04955	0.6
112.53600	0.3
112.54420	0.3
115.05453	30.7
116.05752	0.6
118.04160	20.8
131.04932	5.2
132.05701	1.0
133.06488	47.9
134.06839	1.6
143.05020	0.6
143.06018	3.9
161.05978	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.5
51.80294	0.4
53.03943	2.5
55.01870	5.3
55.05512	1.5
56.05039	0.5
56.96562	1.5
57.03450	0.6
58.06585	0.4
58.99585	5.2
59.06114	1.4
60.04535	0.9
64.99078	0.3
65.03928	0.7
66.03471	0.5
66.04724	1.9
67.05503	0.9
69.03438	0.9
69.07056	0.8
70.02513	1.3
70.02946	0.4
72.08154	0.5
74.06074	0.4
76.04004	0.6
76.05952	0.3
77.03932	0.7
79.05490	19.9
80.05009	0.6
80.05817	0.6
81.03409	0.7
81.07053	1.0
83.06136	0.4
84.04465	0.9
85.02897	1.0
86.06094	0.5
86.99049	2.2
88.02206	0.9
89.03918	1.3
90.04695	3.5
91.05478	8.3
92.02623	0.5
93.04533	1.4
93.07043	0.9
95.04970	6.3
97.02933	0.6
98.06062	0.4
100.03989	0.5
101.07209	0.4
102.04707	0.5
102.05576	0.4
103.05464	25.0
104.05797	0.7
105.03386	1.1
105.04545	1.2
105.07025	100.0
106.06619	0.8
106.07323	2.9
107.04980	1.5
107.06065	1.1
113.02322	0.7
113.03602	0.4
115.05450	27.5
116.01671	3.5
116.05771	0.7
117.07046	1.8
118.04153	20.7
119.01911	1.9
119.08575	8.1
120.05616	2.4
120.08103	0.4
120.97885	0.5
121.06384	4.4
128.06215	1.2
129.03914	0.4
131.04922	4.8
131.08517	1.1
132.05733	1.6
133.06487	48.4
133.10112	6.5
134.05963	0.6
134.07069	4.8
134.99663	0.6
137.02939	1.0
137.96947	0.4
138.98859	0.8
139.05156	0.6
143.04927	0.8
143.06030	4.2
143.08557	1.6
145.06491	0.8
146.03619	1.7
146.07263	1.1
161.05974	18.5
161.08199	3.9
161.09596	8.3
161.10918	0.9
161.13254	6.1
162.05458	1.5
162.06613	0.6
162.09023	0.7
162.10181	0.5
178.22702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.5
53.03939	1.4
55.01624	0.3
55.01875	4.7
55.05515	2.5
56.96569	6.4
57.03444	0.4
65.03932	0.9
65.60098	0.3
66.04718	1.1
67.05521	2.3
69.03432	0.8
69.07074	2.1
70.60571	0.5
70.60922	0.9
76.51582	0.4
77.03933	0.6
78.93121	0.9
79.05495	19.0
80.05024	0.3
80.05824	0.5
80.34366	0.3
81.03432	0.6
81.07069	5.0
82.01825	0.3
82.05309	0.3
85.02894	0.4
87.37965	0.3
89.03909	1.1
90.04731	1.7
91.02322	0.5
91.05483	11.5
92.02639	0.4
92.05814	0.5
93.04519	1.0
93.07059	2.9
95.04373	0.3
95.04970	5.9
95.08595	1.3
97.02877	0.4
103.05472	20.9
105.02094	0.4
105.03389	1.0
105.07034	100.0
106.06651	0.6
106.07372	2.5
107.04964	2.0
107.08604	0.8
108.04282	0.3
109.06531	0.6
109.65170	0.3
110.03107	0.6
112.02846	1.2
113.02419	0.3
115.05458	23.7
116.03093	0.6
116.04985	0.4
116.05721	0.7
117.07030	2.4
118.04166	13.4
118.06538	1.1
118.07887	0.4
119.03618	2.2
119.04962	0.4
119.06883	2.0
119.08586	20.2
119.95692	0.6
120.03347	0.8
120.05592	1.0
120.08112	0.4
121.03335	0.6
121.06431	2.1
121.16334	0.3
124.04634	1.6
124.98001	0.3
125.34731	0.3
128.04128	0.8
128.06209	1.2
129.03894	3.4
129.54007	0.4
131.04935	5.3
131.08577	1.8
132.05736	1.6
132.07811	0.5
132.09364	0.4
133.05237	1.7
133.06496	39.5
133.10127	11.2
133.55385	0.6
134.07074	2.1
135.55458	0.4
137.09648	0.4
137.96819	0.6
138.04381	2.8
138.98981	0.5
140.54628	0.5
142.05690	0.8
143.04962	0.5
143.06017	4.1
143.08508	1.8
144.55966	0.3
146.03635	8.7
146.07269	1.3
146.10887	0.7
159.11635	0.5
161.01208	0.6
161.05992	25.9
161.08194	1.8
161.09625	7.4
161.13260	16.5
162.05377	0.8
162.06552	0.6
162.09111	1.4
162.11267	0.8
162.13640	0.4
175.02809	1.1
177.92998	0.3
180.04556	0.4
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
51.02372	0.4
53.03948	2.3
55.01870	4.1
55.05507	1.9
56.96563	4.8
65.03937	0.6
66.04712	0.7
67.05511	2.9
68.02627	0.4
69.03419	0.9
69.07047	1.3
71.42188	0.8
74.79556	0.3
77.03926	0.5
78.93131	0.9
79.05492	17.3
80.05825	0.4
81.07056	5.5
82.05343	0.5
85.02896	0.6
89.03899	0.9
90.04694	2.0
91.05482	12.1
92.05820	0.4
93.04514	1.2
93.07056	2.8
95.04967	5.3
95.08599	1.0
96.94166	0.5
102.04683	0.5
103.04002	0.5
103.05465	20.7
105.03373	1.1
105.07029	100.0
106.06694	0.6
106.07344	2.9
107.04952	2.1
107.08598	0.8
108.04237	0.5
109.06497	0.8
111.04470	0.4
112.02849	0.7
113.02341	0.7
115.05454	23.6
116.05747	0.8
117.07018	3.1
118.04155	13.4
118.06573	0.9
119.03605	1.4
119.06879	2.0
119.08577	22.1
120.05580	1.4
120.08083	0.6
121.06374	3.0
124.04656	1.6
128.06210	1.2
129.03880	2.0
131.04912	4.7
131.08560	2.3
132.05663	0.8
133.02875	0.7
133.06491	37.6
133.10121	12.2
134.06013	0.7
134.07048	2.6
137.96793	0.5
138.04366	1.5
142.05701	0.9
143.04993	0.6
143.06029	3.7
143.08559	1.7
146.03636	9.2
146.07275	1.4
146.10916	0.7
159.11693	0.6
161.01207	0.5
161.02388	0.7
161.05980	27.2
161.08173	2.9
161.09624	8.7
161.10960	0.6
161.13252	15.9
161.14598	0.8
162.05499	1.1
162.06624	0.6
162.09102	1.1
167.02892	0.4
175.02783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	6-Methylcoumarin
Peak:m/z	Relative Intensity
50.01591	0.8
53.03937	3.1
54.81123	0.8
55.01643	0.9
55.01872	7.0
55.05505	4.1
61.44072	0.7
65.03936	1.5
66.04718	0.9
67.05166	0.9
67.05505	12.4
69.07053	5.1
70.96548	2.1
73.80907	0.7
73.98888	0.7
77.03904	1.1
79.05492	32.2
81.07052	20.6
83.22935	0.8
91.05479	64.3
92.05804	1.0
93.07043	13.2
95.04971	7.3
95.08605	9.2
103.05470	13.2
105.07030	100.0
105.55212	0.8
106.07346	1.9
107.04952	88.2
107.08600	4.3
108.05280	1.8
115.05453	95.2
116.05678	1.4
116.06308	2.2
117.07014	66.6
118.04156	1.7
118.07344	2.2
119.08578	79.4
120.08993	0.7
120.09183	0.6
128.06238	6.8
131.04918	5.1
131.08551	7.8
132.09346	1.9
133.06490	56.2
133.10130	52.3
134.06870	1.4
143.04941	6.4
143.05902	1.1
143.08557	14.1
146.10910	1.0
159.11688	2.1
161.05981	70.8
161.09612	26.7
161.13254	60.6
162.06342	3.1
162.13629	1.8
174.25876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.05508	5.0
56.05018	9.0
56.96289	2.7
56.96561	40.3
57.03437	11.6
58.06588	6.8
58.99572	3.3
59.06129	20.3
60.04527	15.5
60.08167	4.8
61.02909	8.3
65.35135	2.2
67.05482	2.6
68.05016	3.6
69.03432	17.2
69.07066	4.4
70.06580	8.7
70.36454	9.6
71.01337	2.4
71.04965	2.2
71.07343	3.0
72.04502	5.4
72.06853	2.8
72.08140	9.0
73.02894	7.7
74.06068	7.4
74.42263	1.9
75.05588	3.9
75.82792	1.8
79.05492	10.4
80.05016	1.9
80.11336	2.0
81.03407	5.2
81.07051	2.8
83.06090	7.5
84.04521	13.2
84.08145	7.5
85.02908	24.6
85.06542	19.4
86.06054	12.3
86.06863	2.2
87.04488	4.1
87.09222	2.8
88.07624	4.3
91.05483	16.2
92.11675	2.0
92.71480	2.0
93.04520	2.3
93.07044	5.2
94.05289	2.0
95.04935	3.4
95.06083	5.9
95.08578	2.4
96.04469	4.5
97.02878	17.5
97.07642	3.5
98.01879	2.0
98.03117	8.7
98.06026	8.1
98.97602	11.4
99.04504	2.1
100.07574	3.4
101.00895	7.0
101.07136	8.1
101.95017	2.4
102.05549	15.0
102.09155	4.7
102.96896	4.2
103.03917	9.3
103.05482	5.6
105.03383	4.0
105.07037	47.6
107.06095	4.3
109.02934	2.5
110.03098	3.2
110.97530	3.0
113.02364	18.7
113.07126	3.5
115.03893	3.0
115.05461	11.4
115.08707	2.9
116.01662	3.3
116.07061	4.9
116.98586	16.5
117.03834	2.9
117.06988	7.7
118.04156	3.5
118.05067	2.0
118.98152	2.5
119.01913	100.0
119.08570	24.8
120.02027	7.8
120.05605	5.1
120.06512	3.7
120.96511	3.0
120.97892	5.0
121.02885	2.9
121.05097	2.2
121.06406	13.7
125.03590	3.8
125.07134	3.0
126.05482	4.0
128.98592	3.1
131.08502	4.0
131.55232	2.1
133.06494	15.1
133.07402	2.8
133.10109	18.9
134.06003	5.2
134.07120	16.7
134.99661	18.3
136.99181	3.0
137.02956	68.7
137.04005	4.9
137.97099	3.4
137.99284	3.7
138.03056	5.0
138.98959	7.0
139.01768	3.0
142.03462	3.4
143.03680	3.1
143.04927	5.0
143.08301	7.6
144.03229	2.3
144.06526	6.0
144.10173	3.5
146.03613	2.6
146.07242	7.7
146.99603	5.5
147.03214	4.4
152.04143	3.1
153.00703	3.6
156.99983	2.5
159.03258	14.4
161.01239	3.9
161.03046	3.3
161.04613	22.9
161.05969	22.6
161.07072	8.2
161.08173	6.7
161.09476	44.3
161.13231	14.9
162.05431	10.2
162.07703	5.1
162.11281	11.2
162.14812	2.1
170.05167	8.0
177.00688	5.9
177.04341	23.8
179.03979	5.8
179.05437	2.9
180.04472	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.3
58.99851	0.2
70.59084	0.4
81.52426	0.2
82.99850	0.6
101.00869	11.7
101.97147	0.2
102.00918	1.1
102.96864	0.5
103.00614	0.3
116.98637	0.5
118.03531	0.6
119.01913	100.0
120.01999	8.2
120.97898	0.5
121.01655	1.3
121.02387	0.4
124.02412	0.2
134.99623	0.3
136.04570	0.2
137.02950	47.2
138.03047	3.7
138.98953	0.3
139.02586	0.4
142.03468	1.8
143.03673	2.8
144.03246	0.9
160.04587	0.7
161.02946	2.4
161.04634	2.5
162.04289	1.0
179.03999	4.9
179.05626	1.0
180.05408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
54.03469	2.5
55.01858	6.4
55.05499	4.3
56.05028	8.0
56.96562	26.3
57.03416	6.5
57.07064	6.3
58.06593	4.2
59.06122	13.7
59.60281	2.0
60.04525	18.2
60.08154	9.5
61.02920	3.9
67.05511	11.6
68.05000	5.7
69.03427	13.6
69.07057	3.3
70.06581	9.8
71.01353	2.8
71.05000	2.7
71.58604	2.0
72.04510	8.5
72.08141	8.0
73.02912	5.7
74.06051	7.3
75.04479	4.1
75.05592	3.2
76.04013	2.2
79.05490	9.7
81.03407	4.2
81.04532	2.6
81.07038	3.5
83.01308	2.8
83.06097	7.6
84.04485	9.6
84.08141	4.4
85.02907	20.8
85.06540	5.3
85.07655	3.4
86.06078	11.7
87.04453	5.6
87.05604	2.8
88.07592	2.4
91.05479	14.0
93.07053	3.4
95.04935	4.3
95.06111	3.2
96.04475	2.8
97.00812	2.1
97.02911	11.2
97.07642	2.9
98.06036	6.2
98.97572	24.0
99.00812	2.5
100.07582	4.1
100.97202	2.8
101.00858	8.3
101.02407	3.0
101.07140	7.2
102.05508	8.8
102.09195	2.9
103.03935	9.0
103.05434	3.6
104.07044	2.7
105.03405	2.9
105.07031	41.8
107.06059	3.9
109.02840	2.6
112.07663	2.3
113.02374	15.5
113.07114	2.5
115.03960	3.2
115.05423	8.8
116.07115	2.4
116.89389	2.0
116.98627	25.3
117.06998	6.8
119.01917	100.0
119.08575	22.7
120.02029	6.8
120.05540	4.1
120.06593	3.5
120.97914	5.6
121.01641	3.1
121.06396	10.3
125.06044	2.6
125.07130	2.3
126.05486	2.5
128.02306	2.6
128.06149	2.9
128.09486	2.8
131.04958	2.5
133.06487	11.7
133.07524	3.8
133.10126	18.4
134.06015	5.1
134.07129	10.0
134.99660	18.4
137.00163	3.7
137.02950	54.0
137.97099	3.3
138.03075	5.2
138.98936	6.5
139.01750	3.5
142.03568	2.9
143.01884	4.3
143.03561	3.9
143.08163	3.5
144.06532	5.7
144.10193	3.5
146.99646	3.3
147.05060	3.1
153.00638	2.7
158.99666	6.5
159.03357	5.6
161.02937	8.2
161.04626	12.8
161.05984	14.9
161.07086	10.1
161.08170	6.0
161.09433	32.6
161.13268	11.0
162.04413	2.2
162.05496	55.2
162.07631	4.8
162.11256	16.9
170.05154	4.5
177.00732	12.7
177.04463	5.6
179.03958	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	160.1333
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	0.8
55.05510	53.4
56.05037	0.8
56.05845	0.6
56.96573	1.5
57.03429	0.6
57.07066	0.4
59.06123	2.4
59.93106	0.4
60.04524	1.0
66.04753	0.3
68.05038	0.4
69.03435	0.7
69.07068	10.8
70.06598	0.7
70.73341	0.9
71.08624	1.2
72.04521	0.4
72.08149	0.4
74.06078	0.7
75.05602	0.4
79.05496	2.0
83.06087	0.5
84.04496	1.0
85.02904	0.5
85.07684	0.5
86.06081	0.6
87.04478	0.6
90.04694	0.5
91.05480	1.5
95.04988	0.5
96.37889	0.3
97.02914	0.3
97.10169	82.2
98.06053	0.3
98.10500	1.9
99.05562	0.4
100.07592	0.4
101.07135	0.5
103.05461	1.9
105.07032	10.8
111.07995	0.3
112.05096	0.6
113.02361	0.4
114.05551	0.4
114.12805	100.0
115.05480	2.8
115.13166	2.4
116.98666	0.3
117.05771	0.7
117.98952	0.4
118.04191	1.8
118.06548	5.3
118.96747	0.8
119.01910	0.8
119.08601	1.0
120.05526	0.4
121.06357	0.6
124.89466	0.3
130.06520	0.6
131.04898	0.5
131.07280	0.6
132.04440	0.3
132.06587	0.4
132.08107	1.4
133.06474	4.9
133.10150	0.8
134.07138	0.6
134.99611	0.5
135.99994	0.3
142.08649	0.6
143.06039	0.3
143.08427	0.4
154.59081	0.4
160.06274	0.6
160.07558	1.5
160.09680	0.7
160.12079	0.6
160.13324	2.1
161.06015	2.0
161.08147	0.7
161.09567	1.4
161.13316	0.9
178.17137	0.3
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
50.64206	0.5
51.14529	0.5
53.03966	0.7
55.05509	1.1
56.96558	3.7
56.96756	0.3
57.03424	0.5
59.93098	0.6
63.49599	0.5
67.05502	6.1
69.03442	0.4
69.43932	4.1
72.04534	0.6
74.31818	0.4
75.53477	0.5
76.93366	6.7
79.05492	7.9
81.07047	6.1
82.07403	0.5
91.05476	24.3
92.05803	1.0
93.07030	3.4
94.28269	0.5
94.94412	1.4
95.04951	1.8
98.97585	2.1
100.02512	0.5
103.05482	0.9
105.07024	20.8
106.07372	0.8
113.02361	0.4
115.05451	4.2
116.06231	2.0
116.98592	2.8
117.07014	57.6
117.95980	4.5
118.06596	0.7
118.07322	1.5
118.07870	1.3
118.96779	1.2
119.08599	2.4
129.06995	7.7
130.07806	6.6
131.08565	79.6
132.08884	3.4
134.99667	2.3
135.97008	4.3
135.99934	0.7
141.01848	1.6
142.07773	1.5
144.05681	0.6
144.08287	0.9
144.09337	9.7
153.00775	0.7
157.10118	3.5
159.04317	0.7
159.08159	2.9
159.11685	100.0
160.06180	0.8
160.07469	0.5
160.12032	5.6
163.03882	0.8
164.04196	1.7
164.32587	0.4
172.97260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05515	0.4
56.05019	1.7
56.96298	0.6
56.96567	10.0
57.03435	0.6
57.91621	0.6
58.06609	0.5
59.06112	1.9
60.04510	0.9
61.02924	0.6
64.06373	0.4
67.05507	2.5
69.09644	0.5
70.06577	1.1
70.65666	1.0
70.66059	1.0
71.05006	0.6
71.95264	1.2
72.04491	1.3
72.08102	0.6
76.04003	0.7
76.93360	4.1
79.05488	0.6
81.07008	0.6
84.04485	0.9
85.02903	0.6
87.00811	1.6
91.05482	10.4
94.94387	1.3
95.06080	0.6
98.97581	14.4
99.05572	0.6
99.97933	1.0
103.05457	1.9
105.07027	19.9
106.07355	0.5
109.10896	0.6
112.05101	0.6
113.02374	1.2
113.07131	0.8
114.05539	0.6
115.05458	2.6
116.06253	3.2
116.98626	21.4
117.01843	1.3
117.05720	1.4
117.07037	12.5
117.95975	4.0
117.98998	0.9
118.06530	3.1
118.07317	1.0
118.96742	1.7
119.08584	8.7
128.06213	1.3
129.06993	9.3
130.06482	0.6
130.07822	5.8
131.04930	1.0
131.08569	38.4
131.11790	0.9
132.04439	0.5
132.08066	1.9
132.08907	1.6
134.99664	27.5
135.00758	1.8
135.97038	2.9
136.00015	2.3
140.00133	0.6
141.01852	3.8
141.06760	0.7
142.07788	1.8
143.08568	1.1
144.05692	1.8
144.09334	21.7
145.05260	0.7
151.76367	0.5
153.00711	4.9
154.01028	1.0
154.59084	0.6
154.96375	0.6
157.10136	4.8
158.01213	1.3
159.04311	0.6
159.08113	9.6
159.11688	100.0
160.05060	0.8
160.07446	2.4
160.12032	5.9
176.60480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82428	0.2
51.95849	0.2
56.05038	0.4
56.96555	0.6
58.99879	0.3
59.06115	1.1
60.04515	0.5
71.57619	0.4
73.38836	0.2
82.01451	0.4
82.99809	0.6
84.04533	0.2
89.21324	0.2
97.07597	0.3
98.97558	0.5
99.97926	0.3
100.02452	1.3
100.97149	0.4
101.00867	10.6
101.07152	0.6
105.07024	0.3
113.07117	0.3
116.98616	1.0
117.72868	0.2
117.98947	0.6
118.01736	0.4
118.03520	8.8
118.06569	0.5
118.96775	1.2
119.01915	100.0
120.01984	2.5
120.03286	0.7
121.01644	1.6
121.02407	0.4
124.02430	1.5
134.99634	0.7
136.00038	0.5
136.02776	2.8
136.03621	0.6
136.04546	8.4
137.02954	52.5
138.03088	1.2
139.02721	1.0
142.03491	40.1
143.03751	1.6
143.08153	0.3
144.76369	0.3
154.03769	0.8
154.59123	0.3
154.96481	0.5
156.00859	0.3
160.04550	46.2
161.02914	1.3
161.04488	2.1
165.05132	0.8
178.05600	16.9
179.03987	3.3
179.05446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03946	0.4
55.01868	0.4
55.05518	0.4
56.03820	0.4
56.96560	4.8
57.03440	0.8
57.04558	0.4
59.93106	0.7
65.03944	0.7
67.05502	3.3
68.05842	0.4
69.03386	0.4
69.39814	1.8
69.40234	1.3
71.95277	0.3
72.04507	0.6
73.02920	0.3
75.81805	0.3
76.92923	0.3
76.93365	6.9
79.05499	2.0
81.07034	1.0
84.04543	0.3
87.00817	0.8
91.02347	0.4
91.05478	9.3
93.07063	0.7
94.94410	2.8
95.05006	0.5
98.97595	3.4
99.97954	0.4
100.07674	0.5
103.05487	0.8
105.07029	26.3
106.07353	0.8
112.95443	1.1
113.02410	0.5
115.05446	3.2
116.06247	2.5
116.98619	5.8
116.99821	0.3
117.01846	1.0
117.07023	17.6
117.95984	5.6
117.98987	0.9
118.06552	1.9
118.07295	0.7
118.96806	0.8
119.08578	9.0
128.06198	1.2
129.07010	13.3
130.06758	0.5
130.07806	6.8
131.04904	0.8
131.08566	45.7
131.11803	1.1
132.08060	1.2
132.08922	2.1
134.46252	0.4
134.99661	10.5
135.97017	5.8
136.00006	1.3
141.01817	2.1
141.06975	1.4
142.06769	0.4
142.07759	2.1
143.08501	1.4
144.05711	1.4
144.09343	22.0
145.09807	0.8
153.00673	2.2
154.59036	0.5
157.10135	5.3
158.01186	0.8
158.98676	0.5
159.02908	0.4
159.08109	7.2
159.11688	100.0
160.07544	0.7
160.12025	4.5
176.02280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.41328	0.5
57.03445	0.8
59.93091	0.5
67.05513	3.2
70.17960	2.1
72.04556	0.9
76.93369	7.1
79.05484	4.2
81.07052	4.0
83.25185	0.6
85.06542	0.7
91.05477	20.3
92.05775	0.7
93.07046	2.4
94.94421	2.1
96.37819	0.6
103.05511	0.9
105.07031	17.4
115.05471	5.3
116.06253	2.5
117.07019	52.7
117.96002	4.5
118.07332	1.8
119.08585	6.1
128.06235	1.0
129.07002	11.1
129.07896	0.8
130.07794	13.8
131.08568	86.3
132.08899	3.9
135.97006	4.2
141.01839	1.9
142.07753	1.2
143.08566	0.5
144.05751	1.1
144.09340	13.0
154.21111	0.6
157.10124	3.3
158.98625	1.3
159.08110	7.8
159.11691	100.0
159.98672	0.5
160.09778	0.6
160.12065	5.7
179.53856	0.6
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
56.96558	0.9
59.93113	0.7
67.05495	3.6
69.26768	3.5
69.27187	2.7
73.28635	0.5
76.93362	4.6
79.05491	3.2
81.07069	2.6
89.29870	0.6
91.05481	16.1
93.07048	0.8
94.94416	2.3
95.05009	0.7
96.04515	0.6
97.02884	0.5
97.05582	0.5
97.91042	0.4
98.21435	1.4
103.05448	1.2
105.07027	19.2
105.07745	1.0
106.07381	1.1
113.02391	0.7
114.05561	0.8
115.05453	3.5
116.06252	2.3
117.07015	38.2
117.95982	3.9
118.07269	1.2
119.08569	8.0
128.06221	1.4
129.07005	12.2
129.61064	0.5
130.07782	10.0
131.08566	69.3
132.08876	2.6
135.97002	4.0
141.01820	1.7
141.06995	0.7
142.07785	1.6
143.08595	0.9
144.05682	0.8
144.09343	18.9
157.10127	3.9
159.08101	8.7
159.11687	100.0
160.12022	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	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.05495	1.0
56.05033	8.3
56.96565	28.6
57.03412	1.9
58.02933	1.5
58.06583	2.7
59.06124	8.4
59.93098	1.4
60.04502	2.7
67.05505	1.1
68.05009	2.9
69.03430	1.8
70.06596	4.2
71.01331	1.5
71.04964	2.0
71.06091	2.0
71.23617	1.0
71.23952	1.1
71.95255	3.1
72.04498	3.4
72.08118	1.5
73.02916	1.0
74.06078	1.8
74.65759	0.8
75.05579	1.1
76.03986	2.6
76.93346	3.5
79.05473	1.2
83.06087	1.3
84.01984	0.8
84.04497	6.1
84.08101	1.5
84.95996	1.1
85.02892	3.0
85.07635	2.3
86.06042	2.8
87.04449	1.4
87.05556	1.3
88.07618	0.9
91.05463	3.7
95.06089	4.4
96.04475	1.9
98.97583	36.5
99.04453	1.7
99.05600	4.7
99.97909	2.2
100.03956	2.4
100.07632	1.0
102.05518	2.4
103.05434	1.4
105.07028	22.8
107.01752	0.8
111.05570	1.9
113.02371	4.0
113.07109	6.4
113.07896	1.8
114.05508	2.9
114.09154	1.9
115.05455	35.0
116.00186	1.0
116.05734	1.2
116.98614	56.8
117.05764	29.6
117.06607	2.4
117.95953	2.2
117.98956	3.8
118.05070	0.9
118.06552	12.9
118.96753	5.5
119.01888	1.8
119.07321	87.1
120.07619	2.0
130.06532	4.4
131.04904	2.3
131.08534	2.1
131.11803	1.7
132.08087	100.0
133.08424	2.6
134.99660	81.8
135.96938	1.1
135.99985	3.3
140.00218	1.1
141.01851	8.3
141.05614	0.8
141.06593	3.8
142.03467	1.4
142.04933	1.2
142.06520	20.6
142.08621	1.3
146.99701	1.2
153.00703	20.7
153.87012	0.8
153.96686	1.7
154.59041	1.7
154.96455	1.8
158.01176	2.1
159.07813	6.5
159.09152	98.0
159.11577	3.7
160.04652	1.6
160.07544	3.4
160.09535	3.1
160.10751	1.1
163.08655	0.9
177.00700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.05031	1.8
56.96564	4.8
58.06595	1.0
59.06129	2.2
64.42642	0.6
70.65461	2.1
71.95259	0.8
72.04535	1.2
75.12970	0.6
76.93388	0.8
84.04504	1.0
85.91885	0.5
91.05473	1.1
94.48524	0.6
95.06075	0.6
97.99203	0.6
98.97592	14.5
99.05551	0.7
99.97906	1.2
102.05535	0.6
105.07059	0.7
113.02342	0.5
113.07169	1.3
115.05457	29.3
116.05000	0.8
116.05765	1.1
116.98631	16.8
117.05769	14.9
117.06561	0.7
117.98963	0.9
118.06554	9.8
118.96785	1.9
130.06537	26.6
131.06854	5.8
131.08522	0.6
132.08090	100.0
133.08476	2.9
134.99655	14.1
136.00018	0.8
136.89023	0.6
140.04948	1.6
141.01842	1.0
141.06624	1.0
142.06523	47.8
143.07190	1.0
153.00711	2.4
158.08392	1.3
159.09177	91.8
160.06232	1.0
160.07584	20.1
160.09535	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
56.05042	0.2
56.96562	1.5
57.03423	0.1
57.07052	0.4
57.93565	0.1
58.06591	0.3
59.06105	0.3
67.05492	0.1
69.03413	0.2
69.32253	0.7
69.32672	0.4
70.06579	0.5
71.04995	0.2
71.95246	0.3
72.04518	0.1
74.93816	0.2
76.93369	0.6
77.03909	0.2
81.07029	0.1
84.04500	0.5
84.08143	0.5
86.06038	0.1
86.08454	0.1
87.05595	0.2
91.05479	0.5
94.94393	0.3
94.98903	0.1
95.04972	0.5
95.13499	0.1
96.04473	0.2
98.06052	0.3
98.07158	0.2
98.09687	0.2
98.97581	2.9
99.04449	0.2
99.05568	0.5
100.07596	0.5
102.09180	0.4
103.05461	3.8
105.04537	0.1
105.07037	0.3
112.07613	1.0
113.02419	0.2
114.05524	0.2
115.05452	0.3
116.07078	0.2
116.08237	0.1
116.97227	0.5
116.98617	4.3
117.07011	0.4
117.95983	0.4
119.08511	0.1
128.04965	0.5
128.07085	0.4
129.05708	0.1
129.06990	0.3
130.06525	100.0
131.04953	0.6
131.06880	3.8
131.08472	1.0
134.99654	7.0
135.97029	0.4
140.00189	0.2
140.07106	0.2
141.01854	0.4
143.08182	0.5
144.05618	0.1
144.09322	0.3
146.05971	0.5
152.96971	0.2
153.00714	1.9
157.06548	0.2
158.01300	0.4
158.04625	0.3
158.06024	7.0
158.07153	0.3
158.08195	0.5
158.09616	6.7
158.15376	1.1
159.06567	0.2
159.08063	0.7
159.10173	0.2
159.11696	1.0
176.02321	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	158.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
51.68994	0.1
53.03944	0.2
55.05500	0.1
56.05021	0.2
56.96324	0.1
56.96566	1.5
57.03428	0.1
57.07048	0.3
57.93559	0.2
58.06589	0.2
59.06118	0.3
67.05489	0.2
69.03419	0.1
69.07037	0.2
70.06593	0.5
70.24052	0.4
71.95254	0.2
72.04513	0.2
74.93826	0.1
75.93594	0.1
76.03132	0.1
76.93361	0.7
77.03928	0.2
81.03366	0.1
81.07058	0.1
82.06591	0.1
84.04497	0.4
84.08157	0.5
86.06075	0.1
87.05555	0.2
91.05499	0.6
94.94390	0.2
95.04962	0.7
95.08643	0.2
96.06925	0.1
98.06059	0.5
98.07158	0.2
98.09681	0.2
98.20832	0.1
98.96929	0.1
98.97581	2.5
99.04409	0.2
99.05589	0.5
100.07619	0.4
102.09177	0.6
103.05466	3.9
104.05794	0.1
105.04492	0.1
105.07040	0.3
110.06047	0.1
112.07607	1.0
113.02341	0.2
114.05530	0.2
115.05436	0.3
116.07093	0.1
116.08190	0.2
116.97366	0.5
116.98612	4.4
117.07029	0.5
117.96000	0.5
119.08569	0.2
123.75536	0.1
128.04956	0.7
128.07054	0.4
129.06989	0.4
130.06523	100.0
131.04901	0.5
131.06873	3.9
131.08472	1.1
132.08131	0.1
134.99654	8.3
135.97008	0.6
135.99980	0.1
140.00233	0.2
140.03481	0.1
140.07057	0.4
141.01855	0.5
143.07207	0.1
143.08255	0.5
144.05623	0.1
144.09343	0.3
146.06042	0.5
149.01257	0.1
152.96895	0.3
153.00700	2.3
157.06532	0.2
157.10092	0.1
158.01306	0.6
158.04617	0.3
158.06018	7.0
158.07132	0.4
158.08176	0.6
158.09601	6.5
158.15398	1.0
159.06628	0.5
159.08049	0.6
159.10161	0.2
159.11676	1.5
175.84186	0.1
176.02292	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	156.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02324	0.5
51.47183	0.4
55.85688	0.4
56.96504	0.7
69.36108	3.4
69.36516	0.9
70.95802	0.8
72.93739	0.8
74.93785	0.6
76.34530	0.4
81.69296	0.5
91.05413	0.8
113.26332	0.4
115.05455	4.2
115.96452	1.0
123.97520	0.4
128.06219	8.7
129.07002	15.3
130.07362	0.8
132.95862	0.7
133.97484	0.7
139.06950	0.4
141.06984	100.0
142.07813	19.1
145.06499	0.9
150.96851	2.3
153.06850	0.6
154.07315	2.2
155.08557	19.6
156.09346	82.0
157.06503	7.2
157.07703	0.6
157.10126	13.0
161.76852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	2.4
69.40220	1.6
69.40642	2.6
70.95793	2.4
72.93722	2.3
74.70779	0.5
74.93819	5.0
78.06010	0.5
79.95649	0.5
83.84744	0.5
84.04468	0.5
88.96861	0.8
90.94808	0.6
91.05441	1.2
92.94836	1.0
96.57928	0.5
110.07133	1.1
111.07996	0.7
111.98433	1.1
113.02374	0.5
115.05463	3.7
115.96422	2.9
121.02293	1.6
125.80521	0.5
128.06218	10.3
129.07010	16.1
130.02843	0.6
130.07306	0.6
132.95793	2.1
133.97472	2.5
141.06985	100.0
142.04697	0.7
142.07813	22.3
145.06511	1.6
145.10132	0.9
150.96896	4.5
154.07341	2.3
155.06091	1.0
155.08554	18.5
156.09344	82.4
157.06531	6.3
157.07637	0.9
157.10139	15.3
160.33640	0.6
160.60239	0.6
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
55.01849	0.5
56.05030	0.8
56.96571	1.2
57.03448	0.3
61.02940	0.3
68.05021	0.9
69.03419	0.3
69.04547	0.2
69.30215	0.2
70.06596	0.8
70.39873	0.4
70.40273	0.5
70.95872	0.6
71.04998	0.2
72.08138	0.2
72.93785	0.7
74.09717	1.1
74.61181	0.2
81.04532	0.6
82.05323	2.2
82.06568	0.3
83.00795	0.2
83.06103	9.4
84.01563	0.6
84.04504	0.3
85.02910	0.3
86.06093	0.4
88.96882	0.4
90.01518	0.3
90.94842	0.2
92.01286	0.2
93.02114	1.0
93.04530	6.9
95.06091	7.2
96.06385	0.3
96.96886	0.3
98.09711	0.2
98.97588	0.3
101.00877	0.5
103.02451	0.3
105.02071	0.7
110.07163	100.0
111.02070	0.3
111.05585	1.2
111.06861	0.3
111.07505	2.1
111.98467	0.3
113.08030	0.2
118.03591	0.2
119.01917	3.2
120.01996	0.3
121.01681	0.3
125.07095	1.6
126.09171	0.3
130.06293	0.9
131.00174	0.3
132.02040	0.8
132.95824	0.7
133.01656	0.6
133.03441	0.6
137.02927	1.1
139.08569	0.3
142.03473	1.2
145.03490	0.2
149.01259	1.0
150.96880	2.1
151.04512	0.3
156.04205	4.6
156.06375	0.4
156.07681	8.8
156.10219	0.5
156.11293	0.3
157.09753	0.3
160.04546	0.5
167.02222	0.6
173.98372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78826	0.6
58.08147	0.7
58.83584	0.5
68.05016	0.7
71.33900	1.0
74.09711	12.6
82.05311	2.6
83.06106	9.9
88.67878	0.6
93.04523	7.3
95.06098	6.3
96.96913	1.9
110.07161	100.0
111.05538	0.8
111.07491	1.2
112.05222	0.5
115.29229	0.6
117.16169	0.5
119.01909	2.4
121.95904	0.6
125.07096	0.6
130.06294	11.8
132.02007	0.7
137.02959	1.4
156.04208	51.1
156.07671	8.0
157.04544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
58.96757	0.6
60.82017	0.6
68.24185	0.5
71.49972	1.0
74.09716	24.3
76.59198	0.6
85.33714	0.6
90.19423	0.6
96.96924	3.7
112.05260	1.5
123.14806	0.5
130.06302	26.4
156.04213	100.0
157.04550	1.9
157.62624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99827	2.2
54.03464	1.7
54.53680	1.1
55.01867	3.6
55.05503	3.2
55.93523	2.9
56.05037	5.0
56.81018	0.9
56.96568	43.3
57.03436	1.0
57.04549	1.9
58.02964	1.6
58.06600	2.7
59.06128	2.9
60.04523	2.3
67.02982	2.4
67.05503	2.3
68.05037	4.7
69.00913	11.1
69.03408	1.6
69.04552	1.7
69.07072	15.8
69.90309	0.8
69.90628	6.4
70.02957	2.0
70.06598	5.8
70.95869	38.1
71.06120	2.3
72.04516	4.4
72.08157	3.4
72.93793	29.9
73.02924	1.9
73.71593	1.0
74.06071	2.9
74.93819	1.4
74.97604	1.3
80.05017	1.8
81.04531	7.1
82.05322	2.3
82.06595	3.3
83.04981	1.7
83.06114	11.0
84.01572	2.4
84.04504	4.8
84.08154	5.2
85.02888	1.6
85.04057	1.3
85.07625	2.3
86.02431	46.0
86.06055	1.9
86.57510	1.0
88.07642	1.4
88.96909	10.8
90.94840	9.0
93.04525	7.1
94.06580	2.4
95.06087	7.1
96.01989	1.5
96.04499	2.2
96.08139	1.5
96.34931	0.9
97.02888	3.1
97.04037	3.7
97.07648	5.9
97.99257	1.1
98.03661	1.2
98.04781	1.5
98.06061	3.2
98.07191	4.7
98.09685	2.7
98.21474	1.5
98.97630	1.5
99.05598	2.4
99.09193	1.2
100.04000	1.2
100.07609	2.0
104.03471	14.8
105.02065	1.8
106.97945	1.3
108.05723	1.2
108.95873	2.8
110.02425	1.1
110.06022	3.3
110.07169	80.5
110.09678	18.7
110.97564	3.9
111.00826	9.9
111.04439	1.2
111.05589	3.9
111.09198	3.3
111.98476	13.9
112.07590	3.1
113.02718	1.7
113.03492	32.7
113.07089	1.8
113.96416	2.7
114.03014	2.1
114.05527	1.7
114.06670	5.9
115.05067	1.2
115.08688	1.7
115.96452	1.6
116.98617	1.0
119.01795	1.4
121.07638	1.1
126.09167	2.1
128.07111	3.1
128.98628	9.6
129.99512	12.6
130.01785	1.2
131.97444	2.0
132.95839	31.3
133.01689	1.3
133.03575	1.6
133.51854	2.1
133.97514	1.3
138.05508	3.5
138.06642	6.0
138.09157	1.1
139.05051	2.1
139.08664	3.2
142.02614	2.4
146.01620	1.1
146.52055	1.5
146.99651	15.7
148.02815	2.0
149.01265	3.0
150.96895	100.0
151.04594	1.8
151.97087	1.7
155.97435	3.4
156.02997	1.1
156.04042	27.3
156.05386	1.4
156.06534	4.4
156.07675	10.7
156.08821	1.2
156.09064	1.5
156.10204	12.8
156.11354	6.3
157.01385	1.5
157.05002	5.7
165.00739	4.2
167.02364	1.3
168.97978	5.1
173.98491	5.3
174.00743	1.6
174.99158	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	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01875	1.5
55.05508	6.1
55.93521	1.5
56.05042	0.7
56.96559	3.6
57.03190	0.7
57.03436	3.0
57.07073	100.0
58.07412	1.5
59.04998	1.0
59.06131	1.0
60.04522	0.8
62.58255	0.5
65.03936	0.9
67.05505	10.5
68.05053	0.9
69.03419	2.9
69.04553	1.3
69.07072	2.4
70.06596	1.4
70.17293	2.5
70.95863	8.8
70.96224	0.8
71.05000	1.9
71.08604	1.0
72.04508	1.2
72.08153	1.0
72.93787	47.5
73.07668	0.8
73.93837	0.9
79.05489	0.9
81.03419	0.8
81.04575	0.6
81.07053	8.7
83.04983	6.9
83.06094	1.1
83.08635	1.1
85.02905	0.7
85.06542	12.4
88.96908	3.9
90.94823	16.3
91.05485	0.9
93.07065	0.8
95.04963	8.0
95.06110	1.3
95.08602	6.9
96.05631	2.0
97.04039	1.2
97.06535	1.7
97.07645	1.2
98.07198	1.5
98.98491	0.8
99.04472	2.7
99.05608	1.0
99.08144	1.4
103.05458	0.8
107.06055	0.6
108.06918	0.6
108.95883	4.0
109.06506	3.2
109.10171	4.2
110.06032	0.9
110.07202	2.5
111.04440	5.1
111.08105	2.3
111.09207	0.6
111.98481	3.1
112.08756	2.2
113.06001	4.8
113.07175	0.7
113.08289	1.4
113.96400	19.8
114.06677	2.0
114.10332	0.8
119.08604	0.6
120.05653	0.7
123.04465	1.8
123.36231	0.6
127.03928	2.3
127.07526	3.5
128.07127	0.6
129.05502	1.3
129.99551	2.4
131.96355	1.0
131.97435	20.9
131.99631	1.0
132.95825	6.5
137.06021	1.6
137.07135	0.9
137.09659	2.4
138.05548	1.5
138.06656	2.0
140.04729	1.0
141.06915	1.1
142.27303	0.5
145.06482	3.1
149.97229	3.8
150.00784	1.3
150.96886	22.6
153.07048	1.3
154.90755	0.8
154.99078	1.3
155.03447	1.5
155.04971	1.9
155.06015	1.0
155.07091	11.1
155.08524	4.0
155.10683	1.1
155.12976	2.1
155.14349	4.7
155.15465	0.9
155.97499	1.6
156.06540	1.3
156.07964	1.6
156.09256	0.8
168.98042	1.2
173.98508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.03459	0.6
55.01865	2.8
55.05503	10.4
55.93517	3.7
56.05030	2.7
56.96565	13.4
57.03430	2.8
57.04568	1.7
57.07074	75.9
58.06604	1.3
58.07406	1.2
59.04995	0.7
59.06117	2.6
60.04512	1.6
60.05613	0.6
65.03940	1.6
67.02985	1.3
67.05503	15.6
68.05020	2.5
68.16505	0.8
69.03437	5.0
69.04549	2.8
69.07053	3.2
69.96158	1.7
70.02949	0.7
70.06583	2.4
70.95863	18.4
71.01338	1.5
71.04990	5.6
71.06110	1.8
71.08609	1.1
71.52093	1.3
71.94100	1.3
72.04520	2.6
72.05363	0.7
72.08149	3.0
72.93787	100.0
73.02912	1.0
73.04037	0.7
73.07686	0.9
73.93837	2.3
74.04813	0.7
74.06091	0.9
79.05492	2.3
81.03419	2.3
81.04551	2.8
81.07057	10.8
82.06580	2.7
83.04977	13.8
83.06100	2.4
83.08618	1.4
84.04481	1.0
84.08147	1.0
85.02909	1.8
85.06531	11.0
85.07656	1.2
86.06055	1.3
87.05588	1.4
88.96901	10.0
90.94824	39.4
91.05493	2.7
91.94862	0.8
93.03392	0.8
93.07060	2.0
95.04972	15.3
95.06088	2.9
95.08608	10.3
96.04517	1.4
96.05629	3.9
96.08155	2.0
97.04031	2.6
97.06502	4.0
97.07639	3.2
98.06068	0.9
98.07183	4.1
98.98469	2.2
99.04465	6.7
99.05572	1.6
99.08093	1.0
106.97947	2.6
107.06075	0.7
107.08604	0.7
108.05627	1.1
108.06895	0.9
108.95858	11.4
109.02874	1.3
109.06508	5.8
109.07652	1.9
109.10150	8.8
110.02368	1.0
110.06045	2.4
110.07177	5.0
111.04444	9.9
111.05621	1.1
111.08064	3.4
111.09234	1.9
111.98464	6.4
112.01590	1.2
112.08740	5.9
113.02419	0.8
113.05991	9.6
113.07129	2.0
113.08241	3.5
113.09655	0.7
113.10769	0.8
113.96400	39.4
114.05473	0.7
114.06658	5.3
114.10320	2.2
114.96704	0.8
119.08587	1.6
122.07161	0.8
123.04406	3.6
127.03924	4.3
127.07551	5.2
128.07169	0.9
128.08177	1.3
129.05518	2.7
129.99498	7.0
131.97432	52.4
132.95819	15.2
132.97635	0.6
134.01288	0.9
137.05998	2.8
137.07098	1.5
137.08125	1.2
137.09624	7.3
137.13271	1.1
138.05507	2.0
138.06627	4.8
138.09180	1.1
139.05022	1.1
139.07538	1.2
139.08611	0.8
140.04677	1.3
141.06979	1.8
149.97232	8.1
149.98473	1.6
150.00745	6.7
150.96884	63.9
152.02295	0.8
153.07014	0.8
154.90749	1.1
154.99026	5.1
155.03413	2.9
155.05788	1.2
155.07053	22.9
155.08369	4.2
155.09383	2.2
155.10672	1.9
155.12921	5.8
155.14314	5.0
155.15395	0.9
155.97435	3.1
156.06516	0.8
156.07700	3.1
156.09210	1.5
156.11357	1.4
167.98268	1.3
168.97923	4.0
172.00764	0.6
172.98827	1.1
173.98503	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13948	0.2
50.61570	0.2
51.94000	0.2
53.00290	0.2
53.03940	0.5
54.03458	0.3
55.01860	0.4
55.05264	0.4
55.05511	5.5
55.93519	0.4
56.05032	1.3
56.96563	2.6
57.03422	0.5
57.04568	0.3
57.06818	0.4
57.07074	5.1
58.06587	0.7
59.06105	0.5
65.03930	0.6
66.04272	0.4
67.05508	2.1
68.05041	1.4
68.96321	0.4
69.03429	1.3
69.04549	0.5
69.05860	0.2
69.07067	0.7
69.96161	0.3
70.02950	0.3
70.06593	2.0
70.94272	0.3
71.04972	0.7
71.06116	0.6
71.08624	0.3
71.36935	0.4
71.94103	1.7
71.95251	0.9
72.04520	0.4
72.08143	0.5
72.93787	13.6
79.05496	2.3
80.05036	0.4
80.05805	0.3
81.04549	0.7
81.07056	8.1
82.06581	1.6
82.07381	0.3
83.04987	2.5
83.06105	1.1
83.07355	0.4
83.08611	1.5
84.04501	0.8
84.05270	0.5
84.08138	0.5
85.02917	0.3
85.06533	1.2
85.07655	0.5
86.06060	0.3
86.97279	0.2
87.04466	0.5
87.05521	0.2
88.40312	0.2
90.94826	5.3
91.05468	0.8
93.05787	0.8
93.07058	0.4
94.06577	1.2
95.04974	3.3
95.06081	2.1
95.08586	1.0
96.04519	1.1
96.05123	0.3
96.08134	0.5
97.04030	0.4
97.05276	2.8
97.06544	0.5
97.07638	0.8
98.06056	2.9
98.07153	0.4
98.09683	1.6
98.98454	0.4
99.04462	1.2
99.05574	0.5
108.08133	2.7
108.08858	0.5
108.95850	1.5
109.02934	0.2
109.03982	0.3
109.05780	0.4
109.06514	6.6
109.07632	3.1
109.10153	1.6
109.98960	0.3
110.06059	4.1
110.06789	0.5
110.07069	0.4
111.04447	1.7
111.05573	0.5
111.06271	0.2
111.06834	3.1
111.08043	0.4
111.09223	1.6
112.04022	0.4
112.04826	0.8
112.07700	0.2
112.08683	1.6
112.96714	0.6
113.06025	1.3
113.07104	1.1
113.08254	0.3
113.10769	0.5
113.96399	6.6
114.97093	0.3
118.06525	0.3
121.06437	0.3
122.05916	0.3
123.04420	0.9
124.07603	0.4
124.08752	0.2
125.08362	0.8
126.05493	0.5
126.09156	3.8
126.10015	0.2
127.03873	0.6
127.05033	0.3
127.07552	0.7
127.08532	0.2
128.00005	0.2
129.05527	0.5
130.96320	0.3
131.01913	0.3
131.97438	8.9
131.99702	0.8
132.04337	0.3
136.04004	0.4
136.05035	0.5
136.07568	1.5
136.08624	0.7
137.05917	0.9
137.07092	0.8
137.09665	0.4
137.10710	0.4
138.05515	0.8
138.06512	0.2
139.06279	5.1
139.07524	1.1
140.04648	0.4
148.97365	1.5
149.01216	0.6
149.97200	1.9
150.00748	0.8
152.07088	0.4
153.06995	0.6
154.08626	100.0
154.09589	3.7
154.13354	0.9
154.90715	0.4
154.99025	0.6
155.03429	0.6
155.05901	0.4
155.07106	3.6
155.09024	4.6
155.10330	0.4
155.12897	0.6
155.14203	0.4
158.29114	0.2
167.98230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
51.31184	0.8
53.03936	2.5
55.01858	2.4
55.05511	12.8
56.96554	2.7
57.03442	5.8
57.07065	3.0
59.04982	1.1
61.46208	0.8
63.50193	0.8
65.03943	10.6
67.05506	34.9
69.03409	3.2
69.07069	53.0
69.95616	0.8
70.39523	2.3
70.39943	1.5
70.94240	3.5
70.95871	1.0
71.04982	3.1
71.94102	11.6
71.95264	18.0
78.49098	0.8
79.05492	28.8
80.05805	1.0
80.47443	0.9
81.03416	1.4
81.07057	37.2
83.04974	6.9
83.08618	6.2
85.02877	1.2
85.06543	1.9
88.95288	1.5
88.96903	1.1
89.75093	0.8
89.96342	0.9
91.05477	6.8
91.78516	0.9
93.03400	2.3
93.07045	45.1
94.07346	1.2
95.04961	3.6
95.08609	20.6
97.06531	21.0
98.24942	0.8
99.08034	0.9
105.07043	1.8
107.04971	1.6
107.08596	48.9
108.04439	1.0
108.08915	1.6
109.06502	1.2
109.10156	36.1
110.03645	2.8
111.04463	18.4
111.08101	7.6
111.98463	1.2
112.04753	1.3
112.96699	2.5
113.52155	0.9
122.02393	1.1
125.06004	8.0
125.09621	1.9
126.05489	1.2
126.06333	2.6
129.97914	2.8
130.97742	3.2
130.98730	0.9
135.04428	1.5
135.08032	2.0
135.11691	100.0
136.03992	1.5
136.12009	3.7
138.03137	1.1
149.01178	1.6
152.25943	0.9
153.04228	1.2
153.05473	6.8
153.07510	5.1
153.09128	6.2
153.12744	77.6
154.04938	4.2
154.08601	1.2
154.13089	3.0
154.15836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	4.3
55.05505	6.9
56.05032	0.8
56.96560	2.0
57.03442	3.1
57.07061	0.5
58.06594	0.8
65.03939	15.9
66.04271	0.4
67.05164	0.6
67.05501	8.8
68.05019	1.9
68.96320	0.7
68.99775	1.6
69.03430	3.9
69.04534	1.0
69.07070	3.5
70.06581	2.5
70.75495	0.6
70.75833	0.8
70.93919	0.4
70.94246	2.6
70.95860	0.7
71.01353	0.7
71.04990	9.6
71.06087	0.5
71.94107	1.0
71.95274	0.6
72.08144	1.6
79.01855	0.5
79.05490	24.9
80.05007	0.5
80.05836	0.5
81.03407	1.8
81.04539	1.5
81.07056	13.6
83.04980	11.5
83.06091	1.0
83.08609	1.7
84.04547	0.5
84.08130	0.9
85.02907	0.7
85.07675	0.6
87.04461	1.0
88.95299	1.0
91.05475	11.6
92.05775	0.6
93.03399	3.2
93.07040	13.3
93.23750	0.4
94.06569	0.7
95.04964	100.0
95.06044	3.2
95.08605	2.8
96.04720	0.5
96.05259	2.9
96.06863	0.6
97.02876	1.1
97.06516	5.7
97.07633	0.6
97.10142	0.6
98.07204	0.5
99.04458	0.4
105.04495	0.4
105.07039	4.4
107.04957	9.0
107.08591	23.2
108.05616	1.2
108.08129	0.4
108.08898	1.2
109.06512	37.9
109.07573	2.4
109.09492	0.6
109.10124	3.1
110.03696	2.2
110.06149	0.5
110.07101	1.9
111.04438	25.2
111.08064	13.2
111.09197	1.9
111.96869	1.0
112.04803	0.5
112.08703	3.7
112.96742	0.6
113.05842	2.0
115.05453	1.4
117.07001	3.8
119.06076	1.0
121.02839	2.0
121.06489	0.6
123.06663	0.4
123.08089	1.1
125.02275	0.4
125.05991	9.1
125.09624	5.6
126.05543	0.8
126.06472	0.5
126.10229	1.4
129.97903	1.8
130.96272	0.5
132.37024	0.4
135.04514	0.5
135.05550	0.6
135.08054	17.0
135.11690	1.5
136.07549	1.3
136.08678	2.3
137.07072	0.5
138.06725	0.6
148.97340	1.2
149.01155	0.6
153.01883	0.5
153.05513	5.0
153.06572	0.9
153.07768	0.4
153.09116	12.2
153.11354	8.0
153.12721	3.3
154.04980	1.5
154.06171	0.6
154.08600	1.0
154.09763	1.9
162.09914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
50.60691	0.3
53.03936	0.7
54.03465	0.7
55.01871	1.5
55.02994	3.0
55.05508	1.8
56.05030	1.0
56.96293	0.4
56.96564	7.0
57.03428	1.0
57.07047	0.4
58.06585	0.7
59.04973	0.3
60.02653	0.2
60.04515	0.4
60.95854	0.5
61.02930	0.3
65.03939	14.2
67.02981	1.3
67.05509	2.1
68.05030	1.7
68.96323	1.0
69.03422	2.4
69.04546	1.5
69.07064	1.8
70.02935	0.6
70.06596	1.9
70.36438	1.3
70.94261	1.6
70.95833	0.3
71.04990	0.8
71.94093	0.5
71.95264	0.4
72.08144	0.9
73.02907	0.4
79.05493	4.3
80.02467	0.3
80.05020	1.1
81.00896	1.3
81.03429	1.4
81.04539	1.9
81.07053	1.9
82.04055	2.5
82.05319	0.3
82.06573	1.2
83.02462	0.5
83.04983	2.1
83.06098	1.3
83.08610	0.6
84.04488	1.0
84.05604	0.4
84.08127	1.0
85.02910	0.7
86.06061	0.6
86.97350	0.7
87.04419	0.4
88.95287	0.3
91.05449	1.7
93.00884	0.7
93.03402	3.1
93.07037	3.6
94.06562	1.2
95.04985	2.3
95.06107	2.4
95.08601	1.0
96.04518	0.4
96.05605	1.0
96.06902	0.4
96.08116	0.4
97.02896	1.2
97.04017	0.5
97.06534	2.9
97.07659	1.0
97.10148	0.3
97.27341	0.3
98.06061	1.0
98.07189	0.5
98.97571	0.6
99.05569	0.5
105.07025	0.7
107.04954	2.5
107.06076	0.8
107.08593	4.0
108.01979	0.8
108.04465	0.8
108.05592	1.0
108.08121	0.9
109.02853	0.7
109.04047	0.3
109.06515	1.3
109.07642	2.8
109.10155	1.3
110.03532	43.1
110.07199	0.7
110.07872	0.4
110.08521	0.3
111.04443	30.2
111.08057	2.1
111.09198	1.5
111.96860	0.5
112.03970	0.4
112.04802	0.9
112.07590	0.7
112.08723	0.7
113.05873	5.0
116.98640	1.0
119.01825	0.6
119.52344	0.3
121.02850	1.2
123.04467	0.4
124.07571	0.3
125.02393	0.3
125.05996	10.7
125.07066	1.2
125.09645	1.7
125.87081	0.3
126.05490	1.6
126.06554	1.2
126.09157	0.7
126.10245	0.6
127.05057	0.3
127.08700	0.3
128.00009	0.5
128.02415	0.3
128.04553	9.5
128.52863	0.4
129.97925	0.5
130.96303	0.7
131.00211	0.4
131.01924	1.5
134.99658	0.8
135.03029	0.9
135.04430	0.8
135.05527	0.9
135.06528	0.5
135.08047	2.2
135.09061	0.4
135.11667	0.6
136.01421	41.2
136.07585	1.2
136.08701	0.8
137.01724	0.6
137.07030	0.3
137.10785	0.3
138.06757	0.3
145.03603	0.3
146.99638	1.0
148.00171	0.3
148.97353	2.8
149.01199	0.6
150.59407	0.3
153.04082	100.0
153.07700	1.6
153.09007	3.6
153.10242	1.7
153.11356	2.3
153.12737	1.8
153.13759	0.3
154.02472	77.6
154.04620	2.2
154.05034	2.4
154.08604	1.0
154.09752	1.2
154.13354	0.6
155.02864	1.7
163.02866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02985	0.5
56.96555	1.2
57.03411	0.4
58.34000	0.3
61.37182	0.3
70.33197	1.2
71.61193	0.3
80.02515	0.3
82.04050	0.5
97.07653	0.5
98.20887	0.4
107.03583	0.5
109.05125	2.1
109.07605	0.5
110.03519	12.8
111.04438	0.5
124.82496	0.3
128.04561	7.3
128.98547	0.4
133.03491	0.5
134.04639	1.5
135.03011	14.7
135.09216	0.4
136.01474	0.5
146.99619	0.6
152.05664	100.0
153.04063	43.4
153.05859	1.8
154.02464	0.8
154.04378	0.7
169.16414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
53.43334	0.6
55.01862	2.3
55.05511	8.4
56.96562	20.2
57.03428	3.6
57.07059	3.6
61.02927	1.3
64.95533	1.3
65.03931	2.3
67.05500	45.2
67.51057	1.2
68.05019	2.1
68.05824	0.8
68.95281	3.7
69.03428	2.1
69.04550	0.7
69.07059	8.0
71.01360	2.4
71.02981	0.9
71.08640	0.9
71.15878	0.6
73.02907	2.9
74.97611	1.1
76.51557	1.3
77.00854	0.7
79.05486	12.5
81.03402	2.5
81.07053	64.8
82.06568	0.7
82.07377	2.0
83.04955	1.1
83.06107	0.8
83.08607	2.4
85.02904	2.2
88.02352	1.0
89.00771	1.3
90.01553	2.1
91.05481	6.3
92.01292	1.2
93.04535	0.9
93.07043	9.7
94.07355	1.3
95.04969	8.0
95.08601	100.0
96.01531	1.6
96.04527	1.0
96.08086	0.6
96.08920	3.1
97.02877	1.4
97.99189	1.2
98.01292	2.2
98.03136	1.4
98.97575	4.9
100.02470	1.6
101.00744	0.7
101.22787	0.7
103.02315	1.5
103.05421	0.9
104.01272	1.9
105.02032	0.8
105.03359	0.8
105.07028	10.8
106.06537	1.5
107.01800	1.3
107.04961	2.8
107.08604	4.6
108.05706	1.9
109.02882	0.8
109.06531	9.0
109.07308	0.8
109.07574	0.7
109.10148	34.3
110.01279	4.6
110.06006	1.0
110.07150	4.3
111.07193	1.1
111.07916	6.8
112.02825	3.1
116.00208	2.0
116.48149	2.1
116.98601	4.5
117.03847	2.3
118.03519	1.8
119.01805	8.0
119.03616	0.7
121.03393	1.2
121.06493	1.9
121.10130	0.8
121.52067	1.4
122.07304	1.9
123.03497	0.7
123.04427	3.0
123.05560	1.2
123.08060	32.3
123.11700	4.0
124.03896	1.0
124.07563	2.1
124.08467	1.3
128.02325	7.1
128.07518	0.9
128.98624	2.7
130.52592	1.5
133.02847	0.9
133.06503	1.5
133.07617	1.3
133.10147	3.6
134.06064	0.8
134.07117	0.9
134.99634	3.6
136.06441	0.7
136.08810	3.2
136.56601	1.3
137.02844	2.5
139.53133	1.2
140.03352	0.7
146.97462	0.7
146.99638	3.7
148.53513	0.9
151.02979	1.2
151.03909	4.3
151.05049	1.0
151.07579	7.2
151.08656	1.4
151.09805	2.7
151.11162	19.6
151.13040	0.7
151.14786	7.3
152.01654	2.6
152.03421	0.9
152.05978	0.6
152.07066	3.5
152.08147	1.0
152.11673	0.8
153.00719	0.7
158.01225	0.9
158.99644	0.8
161.01212	1.2
161.06628	0.7
162.99178	0.8
163.03929	0.9
165.00732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03947	0.8
55.01863	1.5
55.05508	4.5
56.05029	0.4
56.11410	0.3
56.96564	2.6
57.03424	1.4
57.07059	1.0
57.69392	0.3
59.04988	1.0
65.03931	1.1
67.05502	8.7
68.05010	1.3
68.05853	0.4
68.95281	0.4
69.03430	2.1
69.04527	0.5
69.07069	2.6
69.73135	0.4
69.73532	2.2
73.02912	0.4
79.05489	5.6
80.05046	0.4
81.03416	1.9
81.07053	16.7
82.07380	0.8
83.04978	1.3
83.06097	1.0
91.04971	0.4
91.05482	6.1
93.04499	0.3
93.07045	6.1
94.04110	0.3
95.04971	4.4
95.06079	0.3
95.08612	5.6
96.05658	0.5
96.08189	0.4
97.02897	0.5
97.06519	1.3
97.07683	0.3
98.01278	0.5
98.20831	0.6
98.97575	1.1
103.05485	0.4
104.01219	0.4
105.02161	0.4
105.07036	12.1
106.07364	0.8
106.54137	0.3
107.04959	1.1
107.08596	6.6
108.05768	0.7
109.02872	0.4
109.06518	15.4
109.07626	0.8
109.10155	10.5
110.01258	1.0
110.07189	3.5
110.10454	0.4
110.51420	0.4
110.97570	0.3
111.05592	0.4
111.07944	7.5
115.05378	0.3
116.98615	1.3
117.07018	0.5
118.07752	0.4
119.01802	1.3
119.06045	0.4
121.06491	0.9
121.10142	3.7
122.07202	0.5
123.04424	1.1
123.08067	7.2
123.11706	4.1
124.03934	0.3
124.07622	0.7
124.08667	1.3
128.02322	2.3
128.98582	0.7
130.52625	0.5
131.08517	0.5
133.06493	0.9
133.10124	5.2
134.07121	0.8
134.99670	0.6
135.09134	0.4
136.08841	2.2
137.39088	0.3
146.99637	0.7
151.02858	0.4
151.03900	1.3
151.07721	2.9
151.11176	100.0
152.01668	0.6
152.07098	0.9
152.08183	0.8
152.11543	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	151.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01863	1.5
55.05508	4.5
56.05029	0.4
56.11410	0.3
56.96564	2.6
57.03424	1.4
57.07059	1.0
57.69392	0.3
59.04988	1.0
65.03931	1.1
67.05502	8.7
68.05010	1.3
68.05853	0.4
68.95281	0.4
69.03430	2.1
69.04527	0.5
69.07069	2.6
69.73135	0.4
69.73532	2.2
73.02912	0.4
79.05489	5.6
80.05046	0.4
81.03416	1.9
81.07053	16.7
82.07380	0.8
83.04978	1.3
83.06097	1.0
91.04971	0.4
91.05482	6.1
93.04499	0.3
93.07045	6.1
94.04110	0.3
95.04971	4.4
95.06079	0.3
95.08612	5.6
96.05658	0.5
96.08189	0.4
97.02897	0.5
97.06519	1.3
97.07683	0.3
98.01278	0.5
98.20831	0.6
98.97575	1.1
103.05485	0.4
104.01219	0.4
105.02161	0.4
105.07036	12.1
106.07364	0.8
106.54137	0.3
107.04959	1.1
107.08596	6.6
108.05768	0.7
109.02872	0.4
109.06518	15.4
109.07626	0.8
109.10155	10.5
110.01258	1.0
110.07189	3.5
110.10454	0.4
110.51420	0.4
110.97570	0.3
111.05592	0.4
111.07944	7.5
115.05378	0.3
116.98615	1.3
117.07018	0.5
118.07752	0.4
119.01802	1.3
119.06045	0.4
121.06491	0.9
121.10142	3.7
122.07202	0.5
123.04424	1.1
123.08067	7.2
123.11706	4.1
124.03934	0.3
124.07622	0.7
124.08667	1.3
128.02322	2.3
128.98582	0.7
130.52625	0.5
131.08517	0.5
133.06493	0.9
133.10124	5.2
134.07121	0.8
134.99670	0.6
135.09134	0.4
136.08841	2.2
137.39088	0.3
146.99637	0.7
151.02858	0.4
151.03900	1.3
151.07721	2.9
151.11176	100.0
152.01668	0.6
152.07098	0.9
152.08183	0.8
152.11543	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.48093	0.3
53.03936	0.7
55.01859	1.4
55.05515	2.3
56.96566	2.3
57.03421	0.9
57.07066	0.9
59.04989	1.4
59.34573	0.3
59.77607	0.4
60.79782	0.3
65.03924	0.6
67.05505	9.7
67.76104	0.3
68.05010	0.9
69.03439	1.8
69.07058	2.5
69.30011	4.0
71.04968	0.4
73.02901	0.4
77.00796	0.5
79.05491	5.9
79.91727	0.4
81.03401	1.1
81.07057	17.5
82.07379	0.4
83.04986	0.6
83.06087	1.0
84.06822	0.4
85.02908	0.4
91.05475	5.7
93.06528	0.6
93.07043	5.2
95.04970	4.9
95.08041	0.5
95.08601	6.3
96.05724	0.5
97.02910	0.5
97.06519	1.5
97.07619	0.6
98.01225	0.5
98.97579	1.0
103.05463	0.5
105.02058	0.4
105.07030	10.8
106.07335	0.5
107.04918	0.9
107.08594	7.5
108.05733	0.5
109.05781	0.7
109.06522	14.4
109.10155	10.1
110.01271	1.1
110.07201	2.2
110.10443	0.4
110.97559	0.4
111.07961	4.9
116.98610	0.8
118.07771	0.8
119.01803	1.4
121.06525	1.3
121.10131	2.4
123.04443	0.4
123.08064	7.4
123.11688	3.9
124.07655	0.6
124.08710	1.0
128.02316	1.5
128.98610	0.5
131.08569	0.8
133.06483	0.8
133.07549	0.5
133.10127	5.2
134.10435	0.4
134.99615	0.4
135.08099	0.4
136.08821	2.3
140.59694	0.4
144.44942	0.4
146.99663	1.1
151.03932	1.2
151.07584	7.3
151.11179	100.0
152.08107	1.1
152.11534	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.87762	0.4
52.60662	0.4
53.03938	1.0
54.02028	0.3
55.01855	1.1
55.05507	2.0
56.96558	3.1
57.03425	1.8
57.07064	1.2
59.04987	0.7
61.02920	0.7
65.03926	1.2
67.05503	8.7
68.05012	1.3
68.95241	0.6
69.03426	2.1
69.04523	0.4
69.07070	2.1
69.45496	1.9
69.45918	2.0
71.04978	0.7
73.02906	0.5
79.05484	5.5
80.80947	0.4
81.03401	1.2
81.07053	17.0
83.04984	0.6
83.06082	1.2
85.02911	0.8
91.05475	4.9
93.07053	5.5
95.04966	5.2
95.08604	6.2
96.01531	0.4
97.06510	1.7
98.01255	0.4
98.97581	1.2
103.05452	0.8
105.07026	12.9
107.04935	0.6
107.08595	5.8
108.05670	0.5
108.44905	0.4
109.06511	15.6
109.09448	0.9
109.10154	10.2
110.01265	1.0
110.07198	2.7
111.07944	6.3
116.98664	1.0
118.07725	0.5
119.01787	1.8
119.06036	0.4
121.06500	0.8
121.10152	2.5
123.04451	0.4
123.08070	6.9
123.11711	4.2
124.08644	1.0
128.02299	1.3
131.08569	0.5
133.06485	0.7
133.09229	0.6
133.10126	5.0
134.07135	0.6
134.99591	0.5
136.08794	1.9
137.02861	0.4
140.82686	0.5
146.99673	0.9
151.03886	1.5
151.07724	2.9
151.11171	100.0
152.01692	0.7
152.07011	1.1
152.08141	0.5
152.11539	3.8
152.22362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03934	1.7
55.01880	3.1
55.05497	2.6
56.96564	33.5
57.03435	7.6
57.07059	1.4
59.05000	0.8
59.20570	0.8
61.02931	3.9
65.03930	2.3
67.05171	1.0
67.05502	12.2
68.00229	0.6
68.05019	1.8
68.95273	2.2
69.03433	6.6
69.04543	0.7
69.07059	2.5
71.01337	0.6
71.04991	1.2
71.17609	1.2
73.02916	8.9
74.97587	1.7
77.00789	2.2
79.05493	8.3
80.05032	0.8
81.03431	4.4
81.07057	21.3
82.06588	1.0
83.00780	3.8
83.04958	1.0
83.06087	1.7
84.01557	1.3
84.96004	0.8
85.02903	6.9
86.01327	0.6
89.00781	3.5
90.01553	5.1
91.05474	9.7
92.01299	3.2
92.98629	0.6
93.07056	8.4
94.51559	0.8
95.00755	1.4
95.04969	8.8
95.08598	9.0
96.01544	3.9
96.04513	0.7
96.05669	0.7
96.63402	0.5
97.00490	1.1
97.02884	4.0
97.06523	2.1
97.99180	1.3
98.01289	5.7
98.97584	11.5
99.02073	1.6
99.04439	1.0
99.07500	0.6
100.51563	0.7
101.00746	2.4
101.52305	0.7
104.01283	3.7
105.02061	2.7
105.07027	12.7
106.00994	1.3
106.06560	0.8
106.07344	0.8
107.01833	3.3
107.04959	1.9
107.08589	8.2
107.47614	1.0
108.02089	0.9
108.04452	1.2
108.05706	0.9
109.02870	1.9
109.06522	16.5
109.07639	1.4
109.09439	1.0
109.10155	11.5
109.52071	1.9
110.00564	1.1
110.01286	13.4
110.06059	0.7
110.07184	4.5
110.97570	1.9
111.04439	0.6
111.07941	8.3
113.01771	1.1
115.52045	1.1
116.00220	1.6
116.48150	2.7
116.98615	11.1
119.01797	22.8
119.04933	1.5
119.51952	1.3
121.06465	0.7
121.10113	2.2
121.52035	3.4
122.07154	0.9
123.04446	2.3
123.05413	0.6
123.08062	6.8
123.11720	4.5
124.07606	1.5
124.08655	2.1
125.48676	1.3
127.03882	1.5
127.98917	0.8
128.02318	19.7
128.52464	0.8
128.53456	0.6
128.98619	5.5
130.52599	4.0
131.08571	0.8
133.06494	1.4
133.07593	0.8
133.10129	6.3
133.98885	0.7
134.01151	0.7
134.06021	1.4
134.07019	0.7
134.99651	11.3
136.08833	1.5
137.02840	6.0
139.53125	3.3
140.00208	0.9
141.05502	1.0
143.00113	0.9
146.97556	0.7
146.99649	11.4
148.53615	1.2
151.03001	0.8
151.03896	7.0
151.05034	1.7
151.07594	7.5
151.09863	5.4
151.11174	100.0
152.01654	2.5
152.03445	1.5
152.07039	3.7
152.08116	1.3
152.11581	5.0
153.00717	2.1
158.01245	2.6
158.99710	0.7
161.01239	2.2
162.99110	1.3
165.00734	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
51.02380	1.7
53.03937	6.9
54.45318	1.5
55.01865	7.4
55.05502	7.4
56.96288	3.0
56.96565	51.4
57.02051	1.8
57.03437	9.8
57.07067	2.9
59.46167	1.5
61.02925	7.6
65.03931	12.5
67.05170	2.7
67.05508	39.3
68.05034	12.6
68.05811	1.9
68.95290	1.5
68.99785	1.7
69.03433	40.5
69.04566	1.9
69.07066	3.5
69.33080	1.5
69.33382	17.3
70.06592	3.6
73.02925	13.0
74.97610	2.6
77.00790	1.8
77.03911	2.6
79.05496	41.1
80.02590	1.8
80.04993	2.7
80.05767	1.7
81.03423	8.9
81.07062	47.5
82.06571	3.1
83.00796	2.0
83.04955	3.6
83.06104	6.6
84.05593	2.4
84.96022	2.2
85.02915	10.4
88.51592	2.1
89.00742	2.5
90.01566	5.5
91.05486	63.5
92.01311	3.7
92.04980	1.9
92.05799	2.6
92.06351	1.7
93.04494	3.4
93.07049	16.9
94.04218	2.5
94.06570	1.8
95.00756	2.2
95.04973	39.3
95.08609	46.8
96.01548	6.3
96.05680	2.0
96.08132	2.7
97.02896	6.9
97.07630	3.1
97.96806	2.9
97.99153	2.1
98.01295	14.5
98.97585	18.2
99.02074	3.5
99.08218	1.6
101.00752	4.5
101.52292	2.0
103.05481	7.6
104.01286	7.8
105.02080	4.4
105.03408	3.8
105.04557	2.7
105.07029	81.4
106.07351	2.1
107.01838	4.0
107.04954	10.5
107.06064	2.6
107.08598	28.3
108.02102	3.3
108.05697	6.2
109.02880	3.8
109.06519	87.4
109.07594	8.5
109.10149	11.7
109.52068	2.6
110.01280	21.3
110.06059	2.4
110.07184	22.3
110.51476	2.3
110.97575	4.7
111.04423	2.6
111.07954	46.7
111.09161	2.6
112.08259	1.9
116.00189	2.5
116.98619	18.1
119.01796	32.4
119.04943	10.3
119.05888	2.2
119.52016	1.8
121.06586	2.4
121.52090	1.6
122.07269	5.4
123.04422	11.5
123.08080	33.1
123.09084	2.0
123.11681	5.4
124.03924	1.8
124.07612	3.3
124.08698	9.9
127.03934	3.5
128.02315	29.7
128.52527	2.2
128.98595	7.9
130.52625	5.6
133.06496	23.2
133.07436	3.0
133.10115	8.1
134.06128	2.4
134.07158	6.3
134.99641	18.2
135.09140	1.8
136.05197	3.6
136.21053	1.6
137.02815	8.8
139.53069	2.7
141.05492	3.2
146.99649	18.2
151.02899	3.1
151.03951	38.2
151.05016	5.1
151.07555	100.0
151.09802	26.2
151.11182	31.0
152.01723	4.0
152.03369	2.2
152.05713	1.7
152.07027	5.8
152.08086	6.3
152.11812	3.7
158.01250	3.1
159.53526	1.7
161.01280	2.6
165.00728	2.8
167.59076	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03939	5.2
54.03457	1.5
55.01874	9.3
55.05508	6.0
56.05036	2.2
56.96288	2.3
56.96567	43.0
57.03437	8.4
57.07066	1.3
58.06593	1.9
58.66500	1.0
59.05005	1.2
59.38446	1.3
61.02929	5.2
61.59356	1.2
65.03931	7.3
67.02965	1.2
67.05505	39.4
67.05869	1.9
67.26131	1.2
68.05029	12.7
68.95286	2.1
68.99795	1.2
69.03429	40.9
69.04539	3.5
69.07073	2.5
69.33125	12.7
70.06587	3.2
71.04971	1.9
71.95248	1.4
73.02917	10.2
74.86505	1.0
74.97598	2.4
77.00793	4.1
77.03918	3.3
79.05492	32.0
80.05025	2.8
81.03432	5.9
81.04536	1.6
81.07053	38.3
82.06574	4.2
83.00773	3.7
83.04987	2.2
83.06104	6.2
84.05600	1.8
84.96031	2.3
85.02907	9.1
86.01269	1.3
89.00756	3.4
90.01555	5.2
91.05483	54.7
92.01314	3.6
92.05788	2.2
93.04532	2.6
93.07056	15.5
94.04220	1.8
94.06567	1.5
95.00756	1.8
95.04366	1.9
95.04969	31.4
95.06084	3.6
95.08605	43.1
96.01558	7.4
96.04479	2.1
96.05640	1.4
96.08138	2.1
96.08947	1.3
97.02883	6.2
97.07649	5.0
97.99164	1.9
98.01299	5.2
98.97591	18.2
99.02093	4.2
99.85826	1.0
101.00764	4.6
101.52350	1.6
103.05463	6.9
104.01299	4.1
105.02096	3.3
105.03397	3.2
105.04549	2.3
105.07029	66.5
106.06573	1.9
106.07368	1.2
107.01823	5.0
107.04948	9.9
107.06100	3.0
107.08601	21.6
108.02063	2.1
108.05722	6.3
109.02895	4.8
109.06520	79.8
109.07597	7.4
109.10152	11.8
109.52148	1.9
110.01276	19.8
110.06080	1.8
110.07193	23.5
110.97577	2.7
111.04459	2.6
111.07954	45.1
111.09179	2.6
112.41852	1.1
114.85941	1.1
115.97823	1.6
116.00263	1.3
116.98622	17.8
119.01807	24.2
119.04924	8.0
119.06109	1.9
121.06519	1.7
121.10186	1.8
121.52061	1.7
122.07255	4.1
123.04449	9.0
123.05276	1.4
123.08076	29.4
123.11723	4.1
124.03969	1.5
124.07599	2.8
124.08675	7.3
127.03909	3.2
128.02322	25.2
128.03255	1.8
128.52463	1.8
128.98605	8.0
130.52605	3.9
133.06503	17.6
133.07477	2.3
133.10133	5.5
134.06076	2.4
134.07133	3.5
134.99664	12.9
135.04440	1.4
135.05560	1.1
135.09195	1.6
136.05190	2.5
137.02864	7.6
139.53110	4.4
141.05507	1.9
146.99651	14.5
151.02826	3.2
151.03932	34.1
151.05031	6.3
151.07550	100.0
151.09798	23.4
151.11183	25.9
152.01683	7.2
152.03392	1.4
152.04475	1.6
152.07037	3.7
152.08089	5.2
152.11813	2.8
153.00626	1.7
154.07480	1.1
158.01292	4.0
161.01189	2.1
165.00769	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	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03944	5.8
55.01625	1.0
55.01870	13.3
55.05508	10.8
55.30512	0.8
55.54654	0.9
56.05025	1.2
56.57911	0.8
56.96565	14.9
57.03433	5.1
57.46590	1.0
61.02919	1.6
65.03930	5.1
67.03002	1.2
67.05504	48.3
68.05023	7.2
68.05825	1.1
68.95296	1.8
68.99773	1.2
69.03428	22.8
69.04525	1.8
69.07072	2.1
69.45947	8.3
71.01349	1.2
73.02905	2.7
73.60461	0.9
79.05052	1.8
79.05492	26.8
79.05956	1.5
80.05063	1.1
81.03427	6.2
81.07056	51.3
82.06596	1.6
82.07407	1.3
83.00786	1.8
83.04988	2.8
83.06101	5.6
85.02901	3.8
89.00790	1.9
90.01556	1.9
91.05484	24.9
92.05782	1.4
93.04523	1.1
93.07049	19.9
94.04185	6.3
95.04975	16.8
95.06087	1.5
95.08604	82.2
96.05608	1.8
96.08131	2.0
96.08932	2.0
97.02864	1.9
97.07680	1.3
98.01288	3.1
98.97581	4.9
103.05467	4.3
105.03384	1.0
105.07030	60.9
106.06594	1.3
106.07315	1.4
107.04965	10.5
107.06062	1.5
107.08578	10.8
108.05762	5.1
109.02880	2.2
109.06516	100.0
109.07693	3.1
109.10139	10.6
110.01276	5.2
110.06034	1.6
110.07196	12.1
111.04450	1.4
111.05622	1.9
111.07955	28.7
111.08698	1.2
115.05476	1.2
116.03009	1.0
116.48172	1.0
116.98652	4.6
119.01803	8.0
119.04942	1.7
119.06059	1.0
121.06519	2.6
121.52126	1.5
122.07317	2.6
123.04426	4.2
123.08064	48.0
123.10870	1.6
123.11673	6.0
124.07578	10.5
124.08595	3.8
128.02322	6.8
128.98618	2.6
133.06490	20.7
133.10121	8.1
134.07101	2.5
134.99605	4.4
136.08817	2.0
137.02844	3.7
139.53088	1.5
143.14613	1.0
146.99654	4.1
151.02904	1.8
151.03909	7.9
151.07545	86.2
151.09807	11.8
151.11180	32.1
152.01669	3.1
152.05840	0.8
152.06947	4.6
152.08084	3.8
152.11777	1.6
158.01309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
52.82159	0.7
53.03946	3.4
55.01873	2.4
55.05512	5.7
55.26114	0.7
55.58268	0.6
56.96565	12.1
57.03437	2.8
57.07080	1.8
59.64656	0.7
65.03944	2.5
67.05502	32.6
68.05028	1.4
68.45309	0.7
68.95290	4.3
69.03438	3.5
69.07071	2.3
70.06630	0.7
71.05013	1.0
71.18085	1.4
71.18415	1.1
73.02924	2.6
79.05488	16.4
79.05901	1.3
81.03418	4.1
81.07053	38.0
83.04997	1.3
83.06117	0.9
85.02905	2.1
91.05479	7.3
93.07046	12.8
95.04964	12.0
95.08608	36.0
96.01544	1.4
96.08160	0.8
96.08890	0.9
98.01275	1.8
98.97617	4.0
101.52332	1.1
103.05466	1.9
104.01284	1.0
105.04533	0.8
105.07030	23.6
106.06561	1.1
107.01813	1.0
107.04955	7.8
107.06058	0.7
107.08598	6.1
107.47665	1.1
108.05742	8.3
109.06533	10.7
109.10153	12.0
110.01292	3.0
110.06081	1.0
110.07211	4.8
110.97550	0.9
111.07946	7.0
115.98167	0.8
116.00255	0.8
116.48151	3.3
116.98608	3.3
119.01810	5.4
119.03670	0.9
121.06507	6.7
122.07291	21.0
123.03517	0.9
123.04431	3.0
123.08070	100.0
123.11698	5.3
124.08462	2.7
125.48672	2.0
128.02332	4.0
128.98604	1.6
130.52567	1.2
133.06493	11.0
133.10112	3.6
134.05989	1.0
134.06955	0.9
134.99677	3.8
136.08817	1.5
137.02850	2.5
139.53081	1.0
146.99669	4.2
151.02835	2.1
151.03929	5.8
151.07542	58.0
151.09789	3.8
151.11136	15.5
151.12309	1.4
151.14807	1.4
152.01672	2.7
152.03468	1.2
152.07004	1.8
152.08041	1.2
162.41437	0.8
163.03935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01871	3.7
56.05032	9.2
56.96565	100.0
57.03434	21.8
57.04734	1.1
57.05368	5.8
59.05000	10.8
60.02160	0.8
60.04522	1.0
61.01150	6.3
61.02924	41.9
62.01102	1.0
62.01491	2.2
63.00727	1.7
63.02713	18.9
65.03970	0.8
67.05515	1.6
68.00278	1.4
68.02654	1.6
69.03429	11.9
69.07084	0.8
70.05463	2.4
70.06576	1.1
71.01357	1.8
71.04997	5.3
71.95272	2.4
73.02917	25.3
74.00262	2.6
74.03266	1.2
74.06081	1.0
74.45860	0.8
74.97602	3.9
75.01035	1.2
75.04488	0.9
77.00780	6.8
79.05482	1.5
81.01048	2.7
81.03413	10.4
81.07081	2.0
83.00777	7.2
84.01580	2.1
84.04524	2.6
84.08159	1.1
84.96036	4.3
85.02899	20.5
86.01313	2.4
86.03242	1.0
86.03703	1.4
86.51834	0.9
87.01019	2.0
87.04462	1.1
87.50771	1.3
88.00005	0.8
88.51575	1.3
89.00771	9.8
89.06035	6.4
90.01563	12.6
90.02082	1.0
91.00528	1.2
91.02331	1.2
91.05508	2.2
92.01305	6.8
92.98650	1.1
93.05809	2.0
94.06595	1.0
94.51604	1.7
95.00777	3.6
95.04993	3.3
95.08669	1.0
95.52354	1.8
96.01546	11.7
96.51282	1.1
97.00507	4.8
97.02892	11.0
97.03427	1.1
97.52106	2.9
97.62350	0.7
97.96826	2.5
97.99200	4.9
98.01295	18.6
98.20790	0.9
98.97584	42.5
99.02046	4.1
99.04449	3.6
100.02435	1.7
100.51576	1.7
101.00768	9.4
101.52376	2.5
103.02403	0.8
104.01290	11.1
104.05341	1.5
105.00368	1.7
105.02090	7.2
105.05692	3.9
105.06993	1.7
106.01064	2.4
106.04926	2.3
106.06582	1.9
106.22190	0.9
106.51538	0.9
107.01812	9.6
108.08121	2.0
109.02894	4.9
109.05123	1.2
109.06573	0.9
109.52135	2.2
110.01279	42.3
110.03497	3.9
110.06067	1.2
110.51488	2.8
110.52915	1.2
110.97556	9.9
110.98231	0.9
112.51511	1.1
113.01780	3.8
115.03944	0.8
115.52131	0.9
115.97845	1.4
116.00217	4.3
116.98618	33.7
118.52620	2.4
119.01801	61.7
119.05264	6.1
119.51974	5.7
121.52045	3.9
123.04442	1.2
123.08118	1.6
123.09237	0.8
124.07660	1.8
127.03921	6.5
128.02321	54.4
128.04604	2.7
128.52515	3.8
128.98607	23.0
128.99554	1.2
129.04071	1.1
130.52579	7.8
131.00188	1.2
133.03481	1.3
133.98929	1.5
134.01314	1.0
134.03572	5.5
134.06055	2.3
134.99657	24.2
135.03004	5.0
137.02820	17.5
137.53056	1.3
138.03114	0.8
139.53085	5.5
140.00253	2.9
140.98648	1.3
143.00137	1.8
144.98112	1.4
145.03464	0.9
146.02998	1.5
146.99644	34.7
147.01349	3.7
147.03264	1.1
149.01231	0.9
151.03944	2.7
151.04991	1.1
151.06073	1.6
151.07794	6.3
151.11215	1.5
152.03677	2.0
152.05730	39.9
152.07086	6.9
152.08168	1.5
153.00726	3.6
153.04074	16.0
153.05278	0.9
155.00298	1.1
158.01260	5.9
158.99614	3.7
161.01312	2.5
162.99211	2.8
165.00732	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	150.0584
Annotation	Methionine
Peak:m/z	Relative Intensity
50.60972	0.5
53.03942	1.2
55.01872	1.3
55.05498	0.7
56.05034	100.0
56.96564	10.3
57.03438	3.8
57.05367	1.6
58.99590	1.1
60.04526	0.6
61.01149	62.2
61.69122	0.4
62.01497	0.6
65.03944	2.1
65.99779	0.4
66.04287	2.4
67.05514	2.9
69.03433	1.2
69.07047	0.6
70.06590	1.4
70.79100	1.2
70.79449	0.5
70.87174	0.4
72.93792	1.0
73.02914	0.9
74.02433	7.2
74.06077	8.2
75.02708	1.2
75.04506	0.6
75.24033	0.4
79.05506	1.6
80.05009	1.1
81.03400	2.3
81.07060	1.5
84.04512	4.3
85.01172	0.6
85.02898	4.2
86.04942	0.6
86.06073	0.6
87.02692	14.2
88.07639	1.7
89.00751	0.5
90.01574	0.8
91.05494	2.2
93.07050	1.4
94.03754	1.0
94.06596	1.6
95.01343	0.5
95.04980	2.4
95.08630	1.4
97.02863	0.7
97.06538	0.8
98.97592	1.5
100.02490	2.5
102.05544	20.0
104.01321	0.7
104.05326	59.2
105.00216	1.9
105.02079	0.4
105.03760	1.0
105.05698	1.2
105.07032	2.4
106.01094	0.6
106.06563	0.6
107.08594	0.9
108.04491	2.3
109.02919	1.7
109.06571	1.5
109.10157	0.7
110.01298	2.8
111.04496	0.7
112.04828	1.0
115.02411	0.8
115.97861	0.6
116.98654	1.7
118.03500	2.4
119.01792	5.5
121.02852	0.9
121.52062	0.8
122.03202	5.3
122.04305	0.6
122.06020	2.8
123.01438	0.9
123.04453	1.1
123.08095	2.1
127.02473	0.6
128.02341	2.1
130.52623	0.5
132.04500	0.7
132.05441	0.5
132.06609	1.3
132.10266	1.4
133.03185	39.3
133.06525	0.7
134.03534	0.9
134.99721	2.1
137.02908	1.5
144.99852	2.8
145.03499	3.3
146.99701	0.7
150.02676	13.1
150.03743	1.8
150.05528	7.8
150.07802	2.1
150.09177	2.5
150.10176	0.9
150.11104	2.6
151.03897	2.5
151.07611	2.0
151.11232	1.4
162.99323	0.5
163.04590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02381	0.4
53.03947	5.3
54.03460	1.2
55.01875	1.6
55.05512	0.6
56.01400	0.5
56.05032	2.3
56.96569	4.5
57.03451	2.2
59.14561	0.4
60.04529	1.3
61.02921	0.5
65.03943	6.8
66.04266	1.5
66.77867	0.5
67.05503	33.1
68.05029	3.3
68.05827	0.5
69.03441	2.2
70.06580	1.1
71.59782	0.5
71.60121	0.8
72.04528	1.0
72.93800	3.7
73.02917	1.3
74.02439	5.0
75.05608	0.5
76.03996	1.8
77.03922	0.6
77.81008	0.5
79.05488	5.6
80.05006	2.8
81.03411	3.2
81.04539	0.9
81.07042	1.0
82.05361	0.5
82.06593	1.6
83.06107	1.3
84.04500	0.7
84.08157	1.9
85.02882	1.0
86.68845	0.5
90.94843	2.6
91.04964	0.9
91.05483	12.7
93.05768	1.5
93.07048	1.0
94.06566	85.2
94.27113	0.5
95.04960	6.4
95.06080	1.6
95.06877	2.5
95.08596	0.9
96.04492	2.0
96.08121	0.8
97.02886	0.6
97.07649	0.7
97.96796	0.5
98.97578	1.3
102.01876	0.8
105.03407	0.7
105.07034	2.4
106.06554	23.4
107.01800	0.6
107.04921	0.6
107.06121	0.9
107.08578	0.5
108.04478	2.2
108.06860	0.5
108.95849	1.0
109.02890	0.9
109.06516	0.8
109.07645	9.2
109.10207	0.6
110.01278	1.9
110.06019	1.1
110.08424	11.3
111.07959	1.2
112.04795	1.3
112.07597	1.4
116.00249	0.5
116.98629	1.2
119.01826	2.6
119.04942	5.4
121.05093	0.6
122.03217	3.4
122.06032	48.0
123.04459	1.0
123.05518	1.2
123.06422	1.8
123.08161	1.0
123.09173	5.9
124.05092	0.6
124.07539	0.7
124.08663	0.6
128.02299	1.2
130.08630	0.5
132.06586	1.4
133.05051	1.1
133.06543	0.7
133.07626	2.4
136.05167	0.9
137.02829	0.7
146.99644	0.9
148.03943	1.4
148.08237	0.5
150.02789	9.7
150.05504	100.0
150.07649	2.5
150.10236	15.1
150.12798	0.6
151.03908	1.8
151.05980	4.4
151.07542	5.9
151.08672	1.2
151.09816	0.9
151.11153	0.9
164.46735	0.5
168.06569	21.3
169.06920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	2.4
55.01854	1.3
55.05512	6.0
56.96568	4.8
59.28378	0.7
60.95842	2.0
65.03942	53.7
66.04269	1.6
67.05502	10.9
69.03411	0.8
69.07065	8.2
69.33334	7.5
69.33739	1.0
79.05053	1.6
79.05492	23.3
81.04529	1.1
81.07055	28.5
82.07369	0.9
83.08629	2.0
91.05474	12.2
91.64054	0.7
93.03400	13.1
93.06462	1.8
93.07043	37.1
94.07356	1.1
95.04975	4.6
95.08610	6.3
96.04521	0.9
98.03655	2.6
100.02497	0.9
103.05472	1.4
105.03419	0.9
105.07035	5.3
107.04960	1.3
107.08593	27.1
111.03822	1.5
111.04463	12.7
119.00172	1.1
119.08561	1.1
121.02863	58.8
121.03961	13.9
121.06467	2.4
121.10150	9.2
122.03193	3.8
122.06002	1.0
122.07118	1.0
149.02342	100.0
149.05954	3.2
149.08360	1.4
149.09595	7.5
149.13255	14.4
150.02673	6.5
150.03755	1.5
150.05540	2.0
150.09052	1.6
150.13606	1.0
163.03931	1.1
167.03400	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28286	0.6
50.70448	0.6
50.95781	0.6
53.03930	1.9
55.01863	2.3
55.05500	3.9
55.55279	0.6
56.96573	5.1
60.33023	0.7
65.03939	49.9
66.04252	1.4
67.05494	2.3
69.03458	0.7
69.07069	5.6
70.46018	1.0
78.04694	0.8
79.05488	10.1
80.04995	1.4
80.05856	0.8
81.03406	0.9
81.04524	0.9
81.07055	5.8
83.08640	0.7
89.03903	1.2
91.05479	13.5
93.03400	13.1
93.07040	23.8
94.07372	1.1
95.04974	5.1
95.06054	0.9
95.08604	1.3
98.03659	2.4
98.20845	0.8
103.05473	4.2
105.03390	2.2
105.04480	1.0
105.07030	11.6
106.04166	1.4
107.04952	2.1
107.08591	20.3
108.08859	0.8
109.06493	2.7
109.07674	0.7
110.08407	1.0
111.04454	15.2
116.06226	1.6
119.08575	3.6
121.02863	57.5
121.03963	12.0
121.06499	5.4
121.10141	16.8
122.03214	3.0
122.05961	1.0
122.07145	4.6
122.10451	0.7
123.08061	1.6
131.04933	1.6
131.08583	1.7
134.03607	0.7
149.02341	100.0
149.06010	4.7
149.07098	1.4
149.08231	2.8
149.09613	6.9
149.13260	6.6
150.02681	8.1
150.03752	1.0
150.05513	2.1
150.09123	1.2
150.10214	1.5
160.51959	0.6
167.03436	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
53.03932	3.5
55.01865	3.7
55.05505	6.6
56.96556	3.5
57.07072	1.3
65.03939	55.7
66.04255	1.1
67.05505	6.2
69.03419	1.3
69.07063	6.6
70.59560	3.5
70.59911	1.4
79.05489	21.8
79.81292	1.0
80.05002	1.4
81.04520	1.3
81.07044	13.8
91.05479	28.3
92.05789	1.1
93.03403	12.3
93.07039	35.1
94.06588	1.2
94.07346	1.2
95.04964	7.5
95.08602	3.9
98.03667	1.8
103.05470	5.3
105.04498	2.2
105.07028	30.7
106.04173	1.6
107.04944	3.3
107.08588	33.0
108.08900	1.8
109.06533	5.1
109.07638	2.4
110.08418	3.2
111.03838	1.6
111.04464	12.1
116.06214	3.2
119.08581	6.8
121.01991	2.6
121.02866	58.7
121.03970	12.1
121.06503	11.8
121.10142	62.5
122.03161	5.2
122.07153	3.3
122.10458	2.0
123.08051	6.8
131.04909	1.3
131.08571	5.6
133.07620	2.8
134.10921	2.1
148.68568	1.0
149.02344	100.0
149.05989	4.3
149.08269	5.1
149.09624	22.7
149.10727	1.5
149.13248	11.5
150.02705	6.9
150.03699	1.5
150.05511	2.1
150.09081	1.8
150.10164	3.4
150.13643	1.2
158.92429	1.2
167.03407	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03937	3.7
55.01860	1.7
55.05511	7.8
56.96566	4.6
62.79636	1.2
65.03940	51.0
66.04269	1.5
67.05505	14.8
69.07069	11.7
69.65837	2.7
69.66256	3.9
70.06577	1.2
72.25108	1.0
73.81744	1.0
79.05056	1.9
79.05492	31.0
79.92693	0.9
80.05864	1.2
80.41193	0.9
81.03410	1.4
81.06573	2.1
81.07055	39.7
83.04968	1.2
83.08603	2.2
91.05474	13.9
93.03396	14.3
93.07040	46.8
94.06593	0.9
94.07365	2.3
95.04978	5.0
95.08620	7.4
96.29881	0.9
98.03660	2.9
102.03380	1.0
103.05473	2.0
105.07020	6.0
107.04938	1.9
107.08595	36.1
108.08875	1.1
109.06505	2.2
111.03823	1.6
111.04465	14.9
119.08595	1.5
121.02864	57.9
121.03970	14.4
121.06508	3.0
121.10143	11.8
122.03211	2.8
122.10510	1.1
136.90918	1.0
137.01215	1.2
147.11682	1.5
149.02342	100.0
149.08458	1.8
149.09605	8.7
149.13275	22.1
150.02672	7.7
150.03743	1.4
167.03412	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03947	6.2
55.01863	2.9
55.05509	15.1
56.96547	5.0
65.03938	52.8
67.05168	2.3
67.05503	29.3
69.03426	1.4
69.07061	16.9
69.96266	1.2
70.07382	1.6
70.50636	4.3
77.03929	1.6
79.05492	60.3
79.55079	1.2
80.05809	2.4
81.03406	4.1
81.07055	87.1
82.07397	2.6
83.08614	4.8
91.05479	30.4
93.03401	12.3
93.07042	89.9
94.07391	2.5
95.04965	11.5
95.08607	14.3
98.03652	1.8
100.02496	1.6
103.05449	3.0
105.04510	3.4
105.07029	10.8
107.04949	51.2
107.08591	66.0
108.04495	1.3
108.05252	1.5
108.08875	2.5
109.06493	3.1
111.04457	16.5
119.08624	1.5
120.05701	9.0
121.02862	51.3
121.03962	12.0
121.06538	3.6
121.10142	21.8
122.03175	2.6
122.07122	3.2
122.10483	1.6
131.08548	2.8
149.02341	100.0
149.05980	2.1
149.09616	24.7
149.13258	41.8
150.02678	5.5
150.13609	3.4
163.03903	2.3
167.03433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02372	1.1
53.03941	4.4
55.01855	2.9
55.05512	8.4
56.96559	4.7
57.03416	0.9
57.07073	1.0
65.03940	60.7
66.04263	2.3
67.05509	9.6
69.07064	13.3
71.60057	1.4
79.05495	33.0
81.03420	1.0
81.04543	1.0
81.07055	32.3
83.08601	2.9
91.05477	25.2
92.05806	1.2
93.03407	14.6
93.07041	63.0
94.07362	2.5
95.04962	8.6
95.08600	6.7
98.03668	2.4
102.03325	1.2
103.05477	3.0
105.04517	2.0
105.07028	12.1
107.04948	2.2
107.08589	53.4
108.04482	1.8
108.08929	1.6
109.06498	3.0
110.08421	1.8
111.03831	1.5
111.04464	13.7
111.05187	1.2
116.06246	1.6
119.06132	1.0
119.08580	2.8
121.02863	65.7
121.03962	12.7
121.06506	3.7
121.09306	1.6
121.10141	23.3
122.03198	3.8
122.06037	1.4
122.07125	4.2
122.10458	1.5
123.08050	2.0
131.02411	1.2
131.04932	1.6
131.08551	2.7
149.02342	100.0
149.06009	4.1
149.07091	1.3
149.08255	3.3
149.09619	10.8
149.13261	20.2
150.02673	8.1
150.05504	1.9
150.10152	1.6
150.13626	1.0
155.62102	1.0
167.03429	1.5
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	Multifidene
Peak:m/z	Relative Intensity
50.67467	1.2
53.03925	2.4
53.20473	1.1
55.01862	2.8
55.05507	7.5
56.56733	1.1
56.96558	1.4
57.07061	2.3
57.08534	1.2
60.17425	1.2
65.03935	59.6
66.04250	2.4
67.05508	10.4
69.07066	9.4
69.18639	1.2
69.65312	2.4
69.65723	6.9
79.05483	26.6
81.07048	20.9
81.45672	1.2
83.08609	1.7
91.05473	24.9
91.34850	1.3
93.03387	12.8
93.06462	2.7
93.07040	45.2
95.04951	5.2
95.08588	4.0
98.03661	2.9
101.44688	1.2
103.05434	3.3
105.07025	31.8
107.04956	2.7
107.08586	47.6
108.05626	1.5
108.08943	2.4
109.06487	2.7
110.08403	1.4
111.04456	12.0
112.04765	1.2
119.08572	11.6
121.02859	57.6
121.03964	12.5
121.06480	4.3
121.10139	60.3
121.11025	3.0
122.03174	3.5
122.07117	2.8
122.10499	3.1
123.08059	4.7
128.07016	1.1
131.08537	2.7
133.10124	5.4
134.10901	4.9
149.02336	100.0
149.06006	3.3
149.08440	1.7
149.09619	13.8
149.12160	2.3
149.13257	24.8
150.02669	6.7
150.03784	1.5
150.05482	2.3
150.10057	1.4
167.03392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03936	2.8
55.05512	7.6
56.96550	2.4
57.07056	4.5
62.46521	1.5
65.03941	30.2
66.04250	2.0
67.05476	3.2
67.30437	1.2
69.07069	8.5
69.70836	2.3
69.71246	4.9
79.05480	18.5
81.07053	7.3
83.17169	1.0
91.05473	22.3
93.03398	7.0
93.06465	2.0
93.07039	34.8
95.04951	7.1
95.08598	2.8
98.21507	2.5
103.05468	3.7
105.04543	1.3
105.07031	37.1
106.04131	1.3
106.07221	1.7
106.07853	2.5
107.04993	1.3
107.08594	50.0
108.08923	2.1
109.06493	5.1
110.08376	1.6
111.04475	7.5
115.05392	1.4
119.06075	2.5
119.08560	15.0
119.80074	1.1
120.09350	1.7
120.24484	1.2
121.02863	33.1
121.03967	7.7
121.06497	3.6
121.10136	100.0
122.03144	1.8
122.07140	1.6
122.10474	5.1
123.08070	8.6
131.08524	2.0
133.07611	2.3
133.10129	3.9
134.10875	3.7
141.29596	1.1
149.02335	56.2
149.05998	1.8
149.08302	2.6
149.09598	11.2
149.13248	20.3
150.02663	4.3
150.03818	1.6
150.13591	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02384	1.1
53.03934	3.0
54.56674	0.9
55.01872	9.8
55.05495	3.5
56.05027	1.4
56.96556	4.6
58.97508	0.8
63.38883	0.9
65.03939	59.4
66.04288	1.9
67.05506	4.8
68.05006	1.3
68.99751	0.9
69.03426	2.1
69.07067	1.6
71.41775	2.1
75.01071	0.9
79.05492	27.3
80.05012	1.4
80.05818	1.0
81.03414	1.0
81.04532	2.5
81.07056	3.1
82.06577	1.2
83.04966	1.1
89.03937	0.9
90.94838	1.0
91.05479	23.7
93.03399	13.7
93.07046	22.1
94.06563	1.9
95.04975	8.7
95.06094	2.9
98.03673	3.0
103.05495	4.9
105.03387	0.9
105.04465	1.2
105.07032	25.3
107.04956	11.7
107.06053	1.7
107.07864	1.3
107.08595	25.5
108.04479	1.8
108.05657	1.0
108.08926	1.0
109.06470	1.4
109.07635	5.9
110.08415	8.3
111.03817	1.3
111.04463	12.6
116.06240	3.4
116.61285	0.9
119.08559	2.2
120.30934	0.9
121.02866	59.5
121.03974	14.1
121.06494	11.0
121.10132	7.1
122.03230	4.8
122.07152	5.3
123.08119	1.3
123.09174	3.3
124.45409	0.9
129.07002	1.7
131.04881	1.5
131.08557	12.5
133.06465	1.5
133.07594	1.8
140.08170	1.2
149.02344	100.0
149.06023	5.8
149.07043	1.5
149.08247	4.6
149.09613	27.8
149.13246	2.4
150.02693	6.4
150.03682	1.1
150.05507	3.4
150.06606	1.7
150.09122	2.0
150.10214	8.6
157.24918	0.9
167.03415	2.0
169.03429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02371	1.7
53.03926	5.5
55.01854	3.0
55.05496	4.3
58.23878	1.2
65.03941	31.8
66.97365	1.2
69.03413	5.6
69.07058	1.7
79.05060	1.8
79.05490	30.6
81.03403	1.6
81.07035	5.4
87.09740	1.4
91.05478	69.6
92.05823	3.6
93.03402	7.9
93.06464	2.4
93.07040	41.5
94.07321	1.5
95.04971	9.1
95.08624	1.5
103.05467	11.9
103.89155	1.4
105.07021	50.7
106.04154	1.3
106.07808	4.2
107.04930	2.6
107.08591	6.9
109.06502	5.6
110.08369	1.7
111.04464	7.7
115.05456	7.3
116.06242	27.6
119.08596	9.1
121.02860	30.2
121.03966	7.6
121.06499	22.9
121.10136	42.8
122.03230	1.6
122.07104	2.8
122.10472	2.9
123.08048	7.0
128.06207	2.0
129.07030	8.0
131.04880	1.5
131.08568	26.5
132.08893	2.4
133.07585	2.2
134.07269	4.4
147.08035	3.3
149.01135	2.8
149.02339	55.5
149.05954	2.9
149.09610	100.0
150.02667	3.6
150.10001	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03937	3.2
55.01871	3.4
55.05491	3.0
56.96542	4.0
57.03420	1.2
65.03606	2.3
65.03942	42.1
66.04276	1.9
67.05493	2.6
69.03416	3.1
69.07060	2.1
69.48275	3.3
69.48688	5.4
79.05495	24.7
81.04518	2.0
81.07043	6.7
91.05478	35.1
92.05807	1.3
93.03411	9.8
93.07039	50.8
94.06564	1.3
94.07383	1.9
95.04964	9.7
95.08609	1.5
98.03649	1.9
98.20775	2.4
103.05457	7.3
105.03377	1.8
105.04537	1.7
105.07027	38.1
106.07850	5.3
106.47871	1.1
107.04950	3.2
107.08585	10.8
108.05602	1.3
109.06487	2.8
109.07645	1.6
110.08408	3.7
111.03819	1.7
111.04449	10.0
116.06228	5.3
119.08595	7.1
121.02861	48.5
121.03958	7.5
121.06493	9.5
121.10137	25.5
122.03172	2.0
122.07114	5.2
123.08055	3.8
129.06981	2.9
131.08580	10.4
133.06526	1.3
133.07574	1.4
134.07274	1.4
149.02341	74.4
149.05983	3.2
149.09615	100.0
149.13289	4.0
150.02657	4.5
150.05522	1.8
150.10059	6.8
167.03355	2.5
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
53.03946	7.9
55.01869	4.5
55.05491	3.7
58.47490	1.5
59.32360	1.4
65.03939	24.0
67.05514	2.0
69.03424	7.1
69.07055	2.8
71.21137	2.6
77.03909	1.8
79.05489	35.0
81.07050	6.6
81.72361	1.4
84.04524	1.6
91.05479	94.7
92.05785	1.8
93.03403	6.4
93.07037	47.0
95.04964	8.8
103.05475	13.6
105.04514	2.1
105.07027	65.9
106.07803	5.2
107.04977	4.0
107.08598	14.3
109.06532	8.6
110.08439	3.0
111.04436	5.5
115.05464	12.2
116.06241	41.3
119.08596	12.1
121.02858	26.5
121.03963	5.4
121.06510	27.7
121.10136	55.0
122.07067	2.0
122.10513	1.8
123.08070	11.0
128.06279	1.9
129.07036	11.6
131.08557	32.5
133.06552	2.7
133.07570	4.3
134.07285	5.6
147.08055	6.4
149.02350	36.6
149.05997	2.5
149.09610	100.0
149.13277	2.2
150.02657	1.6
150.10008	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	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01862	5.1
55.05502	4.4
56.96554	2.4
65.01243	1.3
65.03943	43.7
66.04266	2.2
67.05499	4.7
69.03422	2.3
69.07046	1.3
79.05051	2.1
79.05490	28.7
81.04538	1.5
81.07035	5.3
91.05481	50.7
92.05787	1.9
93.03406	10.8
93.07042	52.0
94.07371	1.7
95.04968	12.7
96.04514	1.2
98.03702	1.8
99.33157	1.3
103.05464	8.7
105.04439	1.3
105.07024	32.9
106.04145	2.0
106.07816	3.6
107.04922	4.2
107.08587	10.5
109.06509	2.6
109.07616	3.3
110.08421	3.0
111.04465	9.6
115.05479	3.0
116.06251	8.6
119.08569	5.0
121.02858	49.9
121.03960	9.2
121.06488	12.8
121.09306	2.1
121.10136	26.3
122.03217	2.2
122.07130	2.9
122.10452	2.0
123.08051	5.1
129.06984	3.5
131.04974	2.0
131.08565	20.1
133.07578	1.3
134.07266	3.1
138.21666	1.3
146.85625	1.1
149.02342	78.1
149.03360	2.7
149.05998	5.0
149.08426	3.9
149.09613	100.0
149.13243	2.5
150.02664	4.0
150.10092	8.4
167.03374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03946	3.9
55.01867	4.1
55.05499	3.1
56.96566	4.7
62.70041	0.9
65.03942	53.8
66.04269	1.7
67.05487	3.5
69.03437	0.9
69.07047	2.2
71.60006	0.9
79.05494	20.3
81.04523	1.7
81.07063	5.5
83.04977	1.0
83.06083	1.0
89.03851	0.8
91.05480	26.8
93.03405	12.7
93.07042	38.0
94.07365	1.6
95.04968	8.1
95.08597	1.1
98.03659	3.1
103.05460	7.1
105.04543	1.9
105.07028	24.9
106.04218	1.1
106.07862	1.8
107.04958	1.7
107.06104	1.0
107.08596	8.0
108.05614	1.1
109.06482	2.8
109.07639	2.4
110.08418	2.8
111.03825	1.1
111.04462	12.4
115.05461	1.3
116.06203	2.7
119.08583	4.7
121.02864	56.8
121.03970	13.0
121.06480	8.0
121.09302	1.6
121.10140	19.1
122.03201	3.2
122.06030	1.3
122.07156	4.2
123.08071	2.3
131.04941	3.0
131.08546	3.4
133.07651	1.4
140.08145	1.4
149.02345	100.0
149.03320	3.5
149.05925	4.6
149.08315	4.2
149.09615	64.0
149.13268	2.5
150.02710	6.2
150.03772	1.3
150.05452	2.0
150.06630	1.3
150.10159	4.2
167.03354	2.0
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
53.03939	4.4
54.99724	0.8
55.01858	3.1
55.05501	1.2
56.96566	3.8
65.03938	54.1
66.04272	2.2
67.05487	2.7
68.05025	1.4
68.20347	0.8
68.99809	1.1
69.99474	0.8
71.44566	1.7
72.04496	0.8
73.44331	0.9
74.02422	1.1
74.06083	1.2
76.75960	0.8
77.03912	0.8
79.05488	39.0
80.05002	1.9
80.05809	1.3
81.03410	0.9
81.04510	1.2
81.07036	1.7
83.04952	1.1
83.06069	1.2
84.08108	0.9
85.04021	1.3
86.50411	0.7
89.03522	0.8
91.05470	14.4
92.05794	1.0
93.03393	14.5
93.07038	33.5
94.06565	3.9
94.07322	1.6
95.04959	11.3
95.06048	1.7
96.04504	0.8
98.03690	3.8
102.01936	1.0
103.05463	86.6
104.05119	1.0
104.05779	4.8
105.03374	1.3
105.04495	1.7
105.07030	4.2
107.04946	21.0
107.08596	1.7
108.05301	0.9
109.07672	4.9
110.08424	9.1
111.03806	1.3
111.04454	13.6
119.00175	0.9
119.08524	0.9
119.69743	0.7
121.02859	63.8
121.03963	12.4
121.06487	18.2
121.10133	1.7
122.03197	2.3
122.06025	2.6
122.07102	2.1
123.09177	3.2
131.04941	4.2
133.07611	1.3
149.02339	100.0
149.05997	6.1
149.07094	1.9
149.08253	2.2
149.09578	5.6
149.13316	0.8
150.02708	5.9
150.03752	1.0
150.05479	3.4
150.06529	1.2
150.10246	6.5
167.03409	2.2
169.03526	1.0
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
54.31836	0.5
55.01853	0.6
55.05526	0.5
56.05040	6.0
56.96568	6.9
57.03435	0.8
60.04530	2.6
60.05658	0.5
65.03939	13.8
65.14880	0.5
69.03424	0.8
69.42936	0.4
69.43243	1.3
69.43671	2.9
70.06596	2.5
71.04998	0.9
71.95271	0.4
72.08153	0.6
74.02417	0.7
74.06082	0.8
84.04505	100.0
84.08157	1.8
85.02914	3.4
85.04331	0.6
85.04839	4.9
85.06551	1.1
88.04005	2.2
88.07616	1.3
91.05488	1.3
92.05014	0.8
92.05807	1.5
93.03408	4.2
93.07071	0.7
95.04972	0.9
98.03674	0.7
102.05546	15.4
102.09174	1.4
103.05447	0.7
105.07016	0.6
106.05016	1.2
111.04468	4.5
113.02406	0.8
120.04462	1.2
120.05265	0.6
121.01991	1.0
121.02880	18.6
121.03983	3.9
130.02911	0.6
130.05002	8.3
130.06537	1.7
131.05336	0.8
134.00475	0.8
148.03899	2.6
148.05013	0.7
148.06076	1.3
148.07562	0.6
149.02344	29.2
149.08308	0.4
149.09656	0.8
167.03502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.78625	0.8
53.03942	1.5
55.05505	8.8
59.03632	0.6
61.70191	0.7
64.92796	1.0
65.03926	1.8
67.05503	12.7
68.87165	0.7
69.07059	3.2
71.30198	1.6
78.07056	0.6
79.05494	11.3
80.05840	0.7
81.07052	8.2
84.04496	0.9
91.05476	63.9
92.05814	2.5
93.07050	5.2
95.04969	2.1
102.26380	0.7
103.05438	3.8
104.06223	1.3
105.07024	93.0
106.07298	4.3
107.08601	1.9
117.07014	8.6
119.04931	1.2
119.08575	100.0
120.04466	0.8
120.08899	3.8
123.96439	1.5
129.07025	1.0
130.07793	0.9
131.08537	1.1
132.09303	1.1
145.10130	4.7
147.04425	1.5
147.05518	2.3
147.08052	2.6
147.11678	35.4
148.03909	0.7
148.12036	2.5
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
52.14179	0.8
53.03934	1.4
55.05506	9.2
59.32582	0.7
64.92796	1.8
65.03925	2.9
66.90019	0.8
67.05482	2.4
69.07053	3.5
69.64805	3.4
69.65231	2.9
75.91694	0.7
77.03934	0.8
79.05102	1.0
79.05492	8.7
80.05016	1.0
81.07058	1.6
84.04497	6.4
84.08141	1.0
91.05476	48.0
92.05801	3.0
93.07040	3.1
95.04955	2.3
103.05459	5.0
105.07026	80.1
106.06650	0.7
106.07346	2.7
107.04874	1.5
107.08595	6.4
111.28925	0.9
115.05494	1.6
116.06185	0.8
117.07021	10.7
118.06532	1.4
119.04955	10.5
119.06868	6.4
119.08575	100.0
120.04446	2.4
120.05641	1.1
120.08179	0.8
120.08890	4.3
121.07587	1.7
123.96487	4.4
129.05318	1.0
129.07019	2.9
130.04961	1.5
130.06503	2.1
130.07755	1.3
131.08583	1.8
132.05746	1.5
132.09344	4.7
141.56548	0.8
145.10121	7.4
147.04404	7.2
147.05531	5.8
147.06404	2.5
147.08052	9.3
147.11682	41.1
148.03938	5.2
148.06383	0.7
148.07571	1.5
148.08672	1.2
148.12016	3.8
153.05196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03944	1.8
53.04169	0.8
53.29429	0.7
54.51088	0.8
55.05508	12.8
63.81301	0.8
64.92790	2.4
65.03933	2.7
67.05490	2.9
69.07054	3.6
71.52229	1.7
72.04510	0.9
79.05483	6.7
81.07040	1.9
84.04505	6.7
91.05479	47.4
92.05818	2.0
93.07041	5.2
95.04947	3.2
97.24519	1.0
103.05450	4.0
104.06254	1.7
105.04543	1.8
105.07027	83.3
106.07325	4.4
107.04904	1.6
107.08595	5.3
115.05411	1.1
117.07017	10.7
119.04951	6.6
119.08576	100.0
120.04490	1.4
120.08908	4.5
120.41982	0.8
121.07680	0.9
123.96449	3.4
129.07053	1.2
130.05000	1.3
130.06544	1.1
131.08572	2.2
132.09343	3.2
139.25011	0.9
145.10141	5.8
147.04388	5.5
147.05522	4.3
147.08017	4.3
147.09134	1.6
147.11681	46.7
148.03905	2.7
148.08664	2.7
148.12015	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03933	2.7
55.01876	0.9
55.05514	9.5
56.05032	1.5
56.96576	1.1
64.92793	2.5
65.03937	3.5
67.05499	4.2
69.07056	2.8
71.59946	1.2
71.60324	1.0
79.05501	8.9
80.27490	0.8
81.07056	2.7
81.96010	0.9
84.04510	9.3
89.10573	1.0
91.05478	55.0
92.04999	2.4
92.05801	2.5
93.07048	4.4
95.04968	2.2
103.05460	5.9
104.06285	1.4
105.07027	80.5
106.07369	4.2
107.04940	2.5
107.08607	5.1
115.05449	2.0
116.06254	1.1
117.07022	12.0
118.07236	0.9
119.04952	6.7
119.08578	100.0
120.04462	2.0
120.08893	5.8
123.96441	3.3
128.06206	1.3
129.06996	5.0
130.02898	1.8
130.04956	2.0
130.06544	3.9
130.07719	1.3
131.08568	2.1
132.05762	1.0
132.09380	5.9
145.10118	9.5
147.04408	8.9
147.05547	9.0
147.06578	1.6
147.08047	10.4
147.09122	1.7
147.11688	49.0
148.03914	4.0
148.04968	1.4
148.07555	2.6
148.08675	2.4
148.12051	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05513	9.9
64.92796	2.3
65.03937	2.8
67.05499	2.2
69.07056	3.2
70.55024	2.6
79.05495	7.3
81.07046	2.3
84.04519	6.5
91.05484	58.8
92.05027	0.8
92.05804	3.3
93.07053	4.8
95.04966	2.7
95.99237	0.7
102.05524	1.0
103.05470	6.9
104.06237	2.1
105.07035	76.5
106.07375	2.9
107.04935	1.2
107.08593	6.2
109.06522	0.8
115.05453	2.1
116.06255	2.6
117.07031	18.4
119.04964	8.2
119.08584	100.0
120.04435	2.0
120.08919	5.1
123.96473	3.9
129.07013	3.1
130.02890	0.7
130.05028	1.4
130.06535	2.0
130.07761	1.2
131.08578	3.2
132.05679	2.0
132.09369	5.5
143.52258	0.8
145.10129	10.7
147.04413	8.8
147.05566	3.8
147.08069	9.2
147.09167	1.0
147.11700	48.8
148.03935	3.2
148.04999	0.8
148.07564	1.8
148.08635	2.0
148.12062	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03940	1.0
55.05511	4.7
57.68208	0.5
64.65955	0.5
65.03931	1.0
67.05500	0.8
69.07061	1.0
71.05080	0.5
71.05408	1.0
79.05496	4.2
81.07023	0.6
84.04495	1.2
91.05479	24.4
92.05830	1.2
93.07017	2.6
95.04948	1.9
103.05469	3.0
104.06261	0.5
105.07027	28.2
106.07307	0.6
107.04874	0.5
107.08593	5.5
109.06554	0.6
115.05432	1.3
116.06224	2.2
117.07014	17.6
119.04919	1.1
119.08575	43.1
120.08927	2.1
121.10154	0.5
123.96461	1.3
128.06224	0.6
129.06984	1.4
130.07773	1.6
131.08554	2.1
132.09352	7.2
135.99683	0.5
145.10170	2.6
147.04395	2.0
147.05565	1.8
147.08026	2.3
147.11681	100.0
148.07556	0.8
148.12019	8.4
160.13123	0.5
166.23782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.44072	0.7
55.05514	8.1
56.96564	0.9
61.86431	0.7
63.64163	0.7
64.92800	1.4
65.03929	2.0
67.05511	3.6
69.07063	2.4
69.44968	6.9
79.05491	7.2
81.07051	2.2
84.04493	3.7
91.05479	49.3
92.04971	0.8
92.05850	1.5
93.07058	4.1
94.91069	0.7
95.04955	2.3
96.16904	0.7
97.24762	0.6
98.21564	1.2
103.05457	4.8
104.06257	2.6
105.07027	70.0
106.07287	4.0
107.08584	7.1
115.05465	2.7
116.06268	1.4
117.07016	18.9
118.07335	1.4
119.04922	4.0
119.08578	100.0
120.04456	1.2
120.08895	5.3
123.96444	2.7
128.06194	1.0
129.07002	3.4
130.02893	1.1
130.06493	1.5
130.07852	1.0
131.08562	2.7
132.05756	0.9
132.09354	7.7
145.10141	6.7
147.04391	5.2
147.05516	4.6
147.08029	6.9
147.11685	88.8
148.03958	2.3
148.08588	1.5
148.12012	5.9
149.95227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03932	1.9
53.91354	0.5
55.01859	0.7
55.05295	0.6
55.05510	6.9
56.05037	0.6
56.96561	1.1
63.02375	0.6
64.92799	2.2
65.03939	7.7
67.05502	2.7
69.07063	1.5
69.23048	0.6
71.58939	0.6
73.58075	0.5
77.03913	0.9
79.05489	5.5
80.04995	0.6
81.07056	1.4
81.26106	0.5
83.86283	0.5
84.04500	5.6
84.08132	0.7
84.81022	0.5
87.05610	0.6
90.58633	0.6
91.05480	100.0
92.05002	0.8
92.05811	4.5
93.07056	3.2
95.04954	2.2
102.05481	0.9
103.05448	3.6
104.06251	1.2
105.04551	1.0
105.07030	46.4
106.06650	1.2
106.07377	1.6
107.04955	1.4
107.06094	0.7
107.08602	6.5
108.06882	0.8
112.07554	0.6
112.45518	0.6
115.05458	1.0
116.06261	1.1
117.07023	11.3
118.07329	0.7
119.04945	61.6
119.08576	71.3
120.04448	1.6
120.05315	4.1
120.08893	3.4
121.07654	1.8
123.96455	4.9
128.06235	1.2
129.04486	0.6
129.07013	2.0
129.24402	0.6
130.02910	0.9
130.06537	2.2
131.08589	1.3
132.05745	1.0
132.09315	3.0
145.10115	5.0
147.04428	28.4
147.05530	4.2
147.08061	5.8
147.09219	1.8
147.11682	37.6
148.03938	3.0
148.04935	1.6
148.07599	1.2
148.08684	3.3
148.12067	3.1
168.86790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03938	0.9
53.47699	0.5
57.89642	0.6
61.16632	0.5
65.03941	11.3
69.60733	2.9
69.61139	1.4
79.05467	0.7
84.04474	1.2
89.10320	0.5
91.05479	100.0
92.05798	3.9
95.04932	0.6
98.20766	1.2
105.07016	3.3
117.06995	1.2
119.04942	89.4
119.08586	4.2
120.05286	3.6
123.96376	0.9
129.07039	0.7
139.32495	0.6
147.04413	31.5
147.05463	1.7
147.08049	1.7
147.09108	0.7
147.10635	0.6
147.11697	1.3
148.04787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05526	2.7
56.05028	1.6
56.96570	1.0
57.95273	0.5
64.92792	2.5
65.03942	10.6
67.05505	1.2
68.05025	0.5
69.03429	0.8
69.07059	1.2
70.88686	1.7
79.05486	1.5
81.07084	1.0
83.08636	1.4
84.04504	32.4
84.08151	1.1
85.02932	0.7
85.04845	0.6
91.05480	100.0
92.04999	1.2
92.05808	4.7
93.07016	1.0
95.04969	1.8
101.07150	0.9
102.05534	1.2
102.37044	0.5
103.05487	1.9
105.04533	0.7
105.07029	16.2
106.06569	0.9
106.07336	0.8
107.04965	1.0
107.08585	0.8
109.06529	0.5
117.07014	3.3
118.06532	0.6
119.04945	76.5
119.06827	1.8
119.08579	20.9
120.04482	1.0
120.05312	3.9
121.07629	1.0
123.96434	3.5
125.54932	0.6
129.05281	1.4
129.07068	0.5
130.02907	1.2
130.05008	9.5
130.06535	1.4
132.05699	1.3
132.09412	0.8
145.10149	2.1
147.04431	34.3
147.05528	4.8
147.06444	2.1
147.08052	4.7
147.09190	1.3
147.11679	8.0
148.03915	1.8
148.04935	1.2
148.07578	0.9
148.08701	1.7
148.11168	0.7
159.58475	0.5
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
53.03935	1.2
55.05507	2.9
64.92804	2.0
65.03943	9.5
69.07079	0.8
71.05437	1.3
71.05769	0.6
79.05507	2.0
81.07069	0.7
84.04520	3.7
84.78184	0.6
91.05482	100.0
92.04955	0.7
92.05807	4.2
93.07030	1.3
95.04972	1.4
102.05532	0.9
103.05470	2.2
105.07031	22.2
106.06669	0.6
106.07343	0.7
107.08587	1.8
109.06408	0.6
116.06207	0.7
117.07032	4.2
119.04945	82.6
119.08579	28.7
120.04509	0.8
120.05295	2.5
120.08933	1.2
121.07629	0.9
123.96464	3.1
129.07047	0.9
130.06578	1.1
131.08522	0.7
132.09404	1.2
145.10144	2.7
147.04419	31.2
147.05508	2.9
147.08054	2.6
147.09122	0.9
147.11693	17.9
148.04802	1.8
158.34169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.92799	1.2
65.03940	10.5
71.30666	0.6
87.60384	0.5
91.05480	100.0
92.05811	3.8
95.04946	1.1
98.92719	0.5
104.84959	0.4
105.04482	0.6
105.07022	1.1
116.76600	0.5
119.04943	87.5
119.08601	1.4
120.05241	3.4
123.96461	1.9
138.06537	0.6
147.04413	29.4
147.05418	1.3
147.07947	0.6
147.11763	0.6
148.04758	1.8
148.08704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	(R)-2-Aminoheptanoic acid
Peak:m/z	Relative Intensity
52.00517	0.7
55.05507	2.1
57.07076	16.4
58.07421	0.8
60.47855	0.7
68.39707	0.7
70.78037	2.1
71.89767	0.8
73.32531	0.8
83.08622	1.6
84.04516	0.9
100.11257	100.0
101.11591	3.5
120.29554	0.8
120.90585	0.8
128.04945	2.0
146.05988	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.05026	1.3
56.96560	0.9
58.06599	0.6
60.05642	11.4
60.08161	24.2
65.18040	0.3
69.03432	5.4
69.07059	0.5
70.06589	1.7
70.27218	1.7
72.08152	1.1
76.75373	0.4
82.06577	0.6
83.04986	0.6
83.06100	1.8
84.04496	7.5
84.08140	4.0
86.06063	38.8
87.04462	100.0
87.06409	1.1
88.04776	2.3
91.05478	0.8
92.01293	0.5
100.07626	0.6
101.06008	0.6
104.07104	6.1
107.17915	0.4
111.05556	4.5
119.04952	0.4
128.07230	0.8
128.08170	3.6
129.06599	1.3
130.05020	2.7
146.09247	19.7
146.10611	0.7
146.11742	16.3
146.15416	0.5
147.09575	0.9
147.12074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02373	0.6
65.03944	0.9
70.48170	1.5
72.08153	0.7
84.04488	1.7
86.06050	0.8
91.05477	23.5
92.05765	0.6
92.57936	0.5
95.04974	1.5
103.05478	1.7
117.05764	4.8
118.06544	41.4
119.04950	2.4
119.06867	1.5
123.96450	0.5
128.04962	54.6
129.04477	1.3
129.05302	2.4
132.96352	0.6
140.50616	0.6
146.06007	100.0
147.04486	0.6
147.06354	5.0
161.67941	0.5
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
56.96564	0.6
58.06002	0.6
65.03941	0.9
68.74922	0.5
70.47992	1.2
70.48347	1.7
71.05008	0.8
72.08149	1.1
73.39387	0.5
84.04504	2.8
91.05479	31.0
92.05810	1.1
95.04926	0.6
103.05459	1.0
112.11302	0.6
117.05762	6.9
118.06541	100.0
119.04939	1.8
119.06878	4.8
128.04964	27.3
129.04478	0.7
129.05350	1.1
130.04965	0.8
146.06009	74.8
147.04395	1.0
147.06398	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
53.03947	0.8
55.05511	0.4
56.05035	0.4
56.96566	0.4
57.03445	0.4
58.02982	0.3
58.06596	0.4
64.92810	0.4
65.03925	0.6
67.05480	0.3
69.68298	2.1
70.87340	0.3
71.04988	0.6
72.04523	0.3
72.08161	0.5
76.81367	0.3
77.03899	0.6
80.05009	0.3
81.03415	0.7
82.06586	0.7
83.04984	0.4
84.04498	3.4
86.06076	1.5
87.04467	0.6
91.05479	17.6
92.05816	0.5
95.04972	1.3
99.04460	0.3
100.04778	0.6
103.05476	1.9
103.91441	0.4
104.90852	0.4
105.07040	1.1
110.06001	0.4
117.05756	2.8
118.06543	19.8
119.04950	3.5
119.06866	0.6
119.08624	1.3
128.04962	59.1
129.04475	1.2
129.05305	2.5
130.04985	1.0
146.06003	100.0
147.04535	1.5
147.06392	4.1
147.07626	0.4
147.08014	0.3
147.11699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05505	0.2
56.05045	0.2
64.92792	0.2
65.03942	0.3
67.05495	0.3
70.65874	0.4
70.66251	0.3
79.05486	0.2
86.06084	0.2
91.05476	25.1
92.05804	0.9
95.97372	0.2
104.07592	0.2
105.07030	2.1
107.08649	0.2
109.06523	0.3
117.05751	4.9
117.06994	0.4
118.06536	100.0
119.04982	0.4
119.06061	0.3
119.06876	4.9
119.08569	2.7
123.96440	0.3
128.04971	0.3
146.05998	10.5
146.10498	0.5
147.04407	0.4
147.05420	0.3
147.06412	0.4
147.08043	0.8
147.11700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.80540	0.9
55.01860	1.4
57.03429	1.2
62.92971	1.8
65.03945	0.9
67.05488	2.5
68.62978	0.8
69.03425	1.0
69.47265	0.9
70.10583	4.5
71.04985	3.2
79.05477	1.6
79.74628	0.8
81.03419	0.9
82.99153	0.9
85.02888	1.6
91.05481	26.1
99.04456	9.3
103.05468	3.0
105.07030	69.5
106.07350	2.1
115.05451	10.8
116.06261	4.3
117.07023	48.9
118.06571	1.3
118.07348	2.0
121.96642	2.4
127.03887	2.1
128.06215	6.2
129.07021	10.1
130.07791	38.3
131.08119	0.9
143.08571	10.4
145.06442	1.8
145.10127	100.0
146.10468	5.4
154.46654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.80540	0.9
55.01860	1.4
57.03429	1.2
62.92971	1.8
65.03945	0.9
67.05488	2.5
68.62978	0.8
69.03425	1.0
69.47265	0.9
70.10583	4.5
71.04985	3.2
79.05477	1.6
79.74628	0.8
81.03419	0.9
82.99153	0.9
85.02888	1.6
91.05481	26.1
99.04456	9.3
103.05468	3.0
105.07030	69.5
106.07350	2.1
115.05451	10.8
116.06261	4.3
117.07023	48.9
118.06571	1.3
118.07348	2.0
121.96642	2.4
127.03887	2.1
128.06215	6.2
129.07021	10.1
130.07791	38.3
131.08119	0.9
143.08571	10.4
145.06442	1.8
145.10127	100.0
146.10468	5.4
154.46654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26395	0.7
51.02391	0.8
53.03952	5.1
55.01873	3.3
56.96560	1.7
57.03430	3.2
58.47911	0.7
62.92988	2.2
63.99369	0.6
67.05487	2.2
69.03431	2.0
70.41513	2.5
71.04997	16.9
79.05486	2.8
81.03417	5.8
81.63488	0.7
82.06570	1.1
82.22041	0.7
84.99273	0.9
85.02910	4.4
85.55804	0.6
86.03217	0.9
86.06078	1.4
87.04488	0.8
91.05486	32.3
97.02910	1.0
98.09180	0.7
99.04459	40.4
100.04766	1.1
100.07599	0.8
100.71111	0.7
103.05471	5.3
103.78257	0.7
105.07034	68.2
106.07353	1.7
115.05459	13.7
116.06287	4.8
117.07025	46.3
118.06561	7.6
118.07347	1.9
121.96662	4.3
127.03919	5.9
128.05070	0.8
128.06216	6.3
128.07056	1.5
129.07014	11.3
130.07793	41.5
131.08145	2.4
132.31270	0.8
139.01788	1.1
143.08583	10.3
145.05002	3.0
145.06474	3.5
145.10127	100.0
146.06017	4.5
146.08089	1.7
146.10487	4.2
155.06041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91205	0.4
53.03943	1.3
55.01860	0.9
55.05513	0.4
56.96560	1.7
57.03439	0.8
62.92984	2.9
63.71644	0.4
64.11464	0.5
65.03946	0.9
67.05496	2.5
69.03425	1.6
70.31474	1.6
71.04999	3.6
79.05492	2.4
81.03407	1.4
85.02914	1.5
86.06061	0.8
87.04436	0.6
89.03922	0.7
91.05477	30.3
92.05794	1.1
93.03702	0.6
95.05009	0.6
97.00804	0.6
97.02885	0.7
99.04452	7.9
103.05454	5.0
105.07024	71.6
106.07360	1.9
113.75366	0.4
115.04675	0.8
115.05446	12.9
116.06268	4.8
117.07012	50.7
118.06532	3.8
118.07361	2.6
121.96641	5.6
123.50463	0.5
127.03911	1.3
128.04836	0.5
128.05318	0.6
128.06227	6.8
129.07022	10.8
130.07780	43.4
131.08095	2.2
137.98341	0.7
139.01805	1.1
143.08556	11.3
145.06508	3.0
145.10115	100.0
146.05966	2.6
146.08099	0.6
146.10468	5.6
147.08000	0.6
155.06026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.70587	0.6
57.49348	0.6
62.92973	0.9
67.05492	2.5
69.03429	0.8
70.30640	1.3
71.04974	1.6
72.72327	0.6
79.05482	2.6
85.02887	0.8
91.05476	26.8
97.02882	0.7
99.04476	4.4
103.05463	2.7
105.07027	68.4
106.07372	1.9
115.05445	9.7
116.06253	3.7
117.07014	46.3
118.06544	1.8
118.07355	1.6
121.96630	2.5
127.03944	0.9
128.06206	6.2
129.07002	10.4
130.07782	44.6
131.08150	0.9
139.01944	0.6
143.08556	10.0
145.06479	2.2
145.10118	100.0
146.05998	1.2
146.10408	4.5
155.06032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10133	0.9
53.03939	2.3
55.01868	1.3
57.03411	1.4
62.92991	10.8
67.05502	1.1
69.03419	1.2
69.42139	8.6
71.04993	5.5
74.06068	0.9
79.05478	1.6
81.03416	2.4
85.02889	2.2
86.06044	1.4
87.04462	2.0
91.05474	18.1
98.20786	1.8
99.04449	10.6
103.05437	3.2
105.07028	73.8
106.07377	3.0
115.05455	8.4
115.11584	0.8
116.06239	2.6
117.07008	24.7
117.07832	1.2
118.06525	2.9
118.07307	1.3
121.96640	15.7
127.03895	2.2
128.04996	1.5
128.06224	6.1
129.07004	11.6
130.07782	49.3
131.08138	2.5
139.53902	1.0
143.08560	10.3
144.98254	1.4
145.05020	1.6
145.06491	1.8
145.10120	100.0
146.06004	3.6
146.10457	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01870	1.6
55.05509	0.5
57.03429	1.4
58.06593	0.4
60.99867	0.3
62.92985	1.1
65.03933	1.1
67.05499	2.0
69.03422	1.0
69.96220	1.8
71.01346	0.6
71.04993	6.4
72.05328	0.4
77.03899	0.4
79.05493	2.1
81.03419	2.0
82.06586	0.5
85.02917	2.0
86.06085	0.9
87.04482	0.4
91.05478	31.6
92.05821	1.0
95.04340	0.3
95.04946	0.7
97.00839	0.4
97.02894	0.7
98.20817	0.6
99.04456	15.0
100.04824	0.7
101.02382	0.7
103.05460	3.8
105.07028	74.3
105.18362	0.4
106.07372	3.2
115.05447	11.4
116.06283	4.7
117.07015	51.3
118.06536	5.7
118.07355	2.1
121.96648	1.7
127.03928	2.2
128.04979	1.4
128.06218	7.1
128.07112	0.7
129.07007	11.3
130.07784	43.7
131.08101	2.3
143.08568	10.8
144.08891	0.7
145.04988	1.0
145.06477	1.8
145.10120	100.0
146.06009	4.8
146.08047	0.8
146.10452	6.1
147.08089	0.7
155.05984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01857	3.8
55.05510	1.7
56.96546	3.5
57.03426	3.6
62.92993	12.0
64.78844	0.9
67.05497	2.7
69.03418	3.3
71.01350	1.6
71.04992	22.8
71.59632	1.2
79.05492	4.1
81.03420	6.8
82.06577	1.3
85.02900	8.6
86.06066	1.1
87.02599	0.9
87.04488	1.5
91.05481	21.0
95.04982	1.7
97.00820	1.1
97.02888	2.2
99.04455	49.4
100.03981	1.5
100.04725	2.3
101.02419	1.2
103.05460	3.6
104.90841	1.5
105.07031	82.1
106.07360	2.3
115.03906	1.5
115.05448	10.4
116.06229	2.7
117.07020	33.3
118.06540	7.4
118.07335	1.9
121.96644	19.3
127.03924	8.4
128.05006	1.9
128.06212	8.5
128.07066	1.3
129.07010	12.9
130.07790	51.7
131.08134	1.9
137.98227	1.0
139.01811	3.3
143.08569	13.2
144.98167	1.9
145.03896	1.9
145.04999	2.1
145.06505	3.5
145.10124	100.0
146.06044	6.6
146.08063	1.6
146.10530	5.3
155.06073	1.7
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
53.03935	3.9
55.01865	1.5
56.96572	4.7
57.03428	2.7
62.92993	11.0
65.03928	1.3
67.05506	1.8
68.26868	1.0
69.03397	2.5
71.04703	1.0
71.04992	11.2
71.59788	1.7
72.04530	1.1
79.05479	3.6
81.03399	3.3
82.92420	1.0
85.02903	3.1
86.06078	2.3
91.02959	0.9
91.05477	21.5
93.89387	1.0
96.71152	1.2
97.00802	1.9
97.02868	1.3
98.06059	1.3
99.04446	26.2
103.05469	4.1
104.90854	1.1
105.07031	91.3
106.07364	2.6
115.05444	15.5
116.06229	3.8
117.07019	33.9
118.06568	8.2
118.07306	2.2
121.96629	18.1
127.03920	5.1
128.05292	1.7
128.06216	8.3
129.07002	12.2
130.07794	54.4
131.08124	2.9
137.98317	1.4
139.01820	3.3
143.08556	12.2
144.98251	1.9
145.05005	1.5
145.06474	5.0
145.10123	100.0
146.06013	7.3
146.10481	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	145.0496
Annotation	Methylitaconate
Peak:m/z	Relative Intensity
53.03953	13.2
55.01878	9.2
55.05516	1.7
56.05031	2.3
56.96560	1.8
57.03440	9.7
58.06600	2.8
59.06113	4.5
61.02933	1.8
61.44711	1.1
62.92683	1.6
62.92989	18.1
65.03896	1.2
67.76375	1.1
68.53629	1.7
69.03111	1.9
69.03433	16.0
70.06580	3.3
70.84346	3.1
71.01355	2.5
71.04992	40.4
72.08172	1.8
72.44588	1.3
73.02905	2.5
74.06063	1.4
81.03417	13.6
82.06567	5.9
83.01340	4.7
84.04501	1.9
84.99253	2.4
85.02907	20.5
85.04016	5.6
85.07663	2.0
86.03248	1.7
86.06071	3.8
86.76326	1.1
87.04459	3.6
91.05495	7.0
91.85892	1.3
97.00806	1.7
97.02893	4.9
99.04453	100.0
100.03832	1.3
100.04796	3.1
101.02410	2.6
102.05533	1.4
103.05455	2.1
110.06022	1.9
117.05739	2.0
117.07149	1.3
118.06548	5.9
121.01662	2.8
121.96634	35.5
127.03934	14.1
128.04968	25.5
128.07066	2.3
138.02733	1.2
139.01817	5.2
139.66885	1.3
145.03947	2.1
145.04984	8.3
145.06525	1.5
145.07655	1.4
145.09776	4.4
146.06006	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01876	6.3
55.05503	9.6
56.05030	7.6
56.96564	27.3
57.03436	12.9
57.04566	5.8
58.06593	3.4
59.04992	1.4
59.06117	4.7
60.04525	10.3
60.05640	2.3
60.08159	3.7
60.95859	7.0
61.02913	4.4
62.92983	19.0
67.05489	3.6
68.05016	2.9
69.03429	29.7
69.07094	1.2
70.06591	100.0
70.51942	2.5
70.98118	2.8
71.01363	1.3
71.04990	28.4
71.06072	1.2
71.06922	2.5
71.95264	1.2
72.04504	1.8
72.08151	13.1
73.02901	3.2
74.06070	1.6
74.07205	5.5
75.01029	2.3
77.00783	2.4
80.04983	1.6
81.03423	5.5
82.06553	2.2
83.00794	1.4
83.01324	2.4
83.06085	2.1
84.01570	2.4
84.04508	11.1
84.08140	21.0
84.96025	4.8
84.99268	2.2
85.02903	63.3
85.04011	3.0
85.06059	1.6
85.06541	19.7
85.07659	2.0
86.03209	2.0
86.06068	2.3
86.09684	3.2
87.02689	1.2
88.07624	2.2
88.99150	1.6
92.01292	1.1
97.00832	1.4
97.02883	7.2
98.01269	2.3
98.06052	9.6
98.09692	37.8
98.97578	6.7
99.02677	1.1
99.04453	34.3
99.05539	2.0
99.06371	1.2
99.10033	1.4
100.07598	2.9
101.02392	1.8
101.07080	1.3
102.00951	1.6
102.05514	3.3
102.96863	7.8
103.00629	2.1
103.90100	0.9
103.95628	0.9
109.07629	3.4
112.08732	5.9
113.02972	12.4
116.07101	2.5
116.98633	6.8
119.01894	5.1
120.02024	10.7
120.03302	1.8
120.97904	10.2
121.01648	13.5
121.96641	33.0
126.02866	1.8
126.03697	8.2
126.05515	5.5
126.07401	1.2
126.19788	1.2
127.03926	6.6
127.08669	1.8
128.07124	1.7
128.98615	1.3
131.87897	0.9
134.99640	5.3
137.02968	2.0
138.03040	6.4
138.04210	1.7
138.98924	9.9
139.01779	3.3
139.02718	7.1
141.05765	1.0
144.03685	4.0
144.04771	21.3
144.06541	15.2
144.07681	1.1
144.10188	11.8
144.11316	8.0
144.13805	3.8
145.04988	4.5
145.09746	1.8
146.99612	1.4
157.00044	2.0
160.97586	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05499	1.4
56.05022	1.0
56.96561	2.1
57.03439	1.2
60.04512	2.1
60.95857	6.7
67.01839	0.9
69.03432	13.1
70.06576	0.8
70.08583	4.4
71.01344	1.0
71.04991	1.1
81.03384	0.9
83.04999	1.2
83.08617	1.1
84.04498	1.6
84.62155	1.0
85.02911	8.4
87.09241	1.0
97.00815	7.4
97.02889	14.3
97.06495	0.9
98.05473	0.8
98.06058	4.1
98.20844	1.3
101.95027	3.5
102.96868	3.6
111.07941	2.3
115.05449	3.4
119.01907	3.2
119.96056	3.5
120.02139	1.1
120.96495	1.3
120.97899	7.2
121.00795	3.5
125.02356	11.2
126.05516	1.5
127.05459	1.2
128.06226	79.1
129.06577	3.5
137.03012	1.9
137.97110	4.9
138.98943	15.2
139.01820	19.4
141.06979	3.8
142.07404	1.3
143.03398	100.0
143.08557	28.9
144.03722	4.0
144.06538	4.6
144.08073	3.2
145.06482	5.4
155.06039	3.8
155.98166	3.7
156.99986	7.7
162.00630	1.2
162.03438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
51.02389	0.2
55.01869	0.6
55.05507	0.4
56.05048	0.1
56.96560	0.5
57.03434	0.2
60.05637	0.2
60.95853	1.3
60.98706	0.2
65.03943	0.2
69.03425	2.1
71.01351	0.2
71.04991	0.3
71.59363	0.2
71.59811	0.2
71.95269	0.2
75.94520	0.2
78.99752	0.2
79.05530	0.2
81.48947	0.1
83.08591	0.2
84.04481	0.3
85.02906	1.1
85.06522	0.2
87.09242	0.2
87.40717	0.2
91.05477	0.5
95.04964	0.2
97.00811	1.3
97.02893	2.0
97.06535	0.3
98.03273	0.1
98.06024	0.5
101.95035	0.7
102.04672	0.2
102.96886	0.7
103.05457	2.1
111.07933	0.3
115.05451	4.9
117.06989	0.5
119.01920	0.7
119.96104	0.4
120.96478	0.2
120.97893	1.5
121.00790	0.5
125.02335	1.8
126.04653	0.2
126.05524	0.3
127.05418	1.7
128.06219	100.0
129.06552	5.5
131.04953	0.2
137.02992	0.3
137.03998	0.2
137.97089	0.9
138.98950	2.7
139.01814	3.4
140.61630	0.2
141.06979	3.8
142.07829	1.2
143.03398	16.3
143.08556	35.0
144.03748	0.5
144.05554	0.2
144.06557	0.5
144.08162	0.3
144.08945	2.6
144.13853	0.2
145.06480	8.3
146.06808	0.6
155.06033	5.5
155.98151	0.6
156.06404	0.4
157.00009	0.8
162.00504	0.2
162.03375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93761	0.3
60.04529	0.6
60.50932	0.3
69.03428	1.6
70.57008	0.6
70.57400	0.7
71.04995	0.5
76.49211	0.3
85.02906	1.0
91.05469	0.4
97.02900	0.9
98.06046	0.3
98.20846	0.4
99.03823	0.3
103.05483	2.0
115.05450	4.0
117.07033	0.6
120.97939	0.7
123.50389	0.3
125.02331	0.9
127.05374	1.5
128.06218	100.0
129.06529	5.4
137.01790	0.3
138.98933	0.4
139.01782	0.6
141.06976	3.9
142.07809	1.9
143.03397	9.2
143.08554	34.4
144.03687	0.4
144.06581	0.4
144.08916	2.1
145.06480	8.4
145.07628	0.4
146.06827	0.4
155.06036	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44947	2.2
60.02878	2.1
60.13026	2.1
64.67188	2.0
71.09768	3.8
75.88701	2.0
101.00898	11.7
118.03513	11.0
119.01917	100.0
120.02000	3.1
133.98044	2.3
136.04553	9.3
137.02960	46.8
137.50015	7.3
138.03027	2.3
142.03474	20.4
160.04533	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
59.16695	0.5
60.47661	0.4
69.28124	2.5
69.28549	2.3
91.05447	0.4
98.21503	1.0
103.05457	1.7
115.05451	3.9
117.07038	0.5
123.63655	0.4
124.12795	0.4
127.05405	1.4
128.06221	100.0
129.06569	4.8
132.02841	0.4
141.06967	3.4
142.07742	1.3
143.03386	1.4
143.08563	32.3
144.08936	2.1
145.06473	7.2
146.06808	0.5
155.06056	5.8
163.39926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63692	0.8
56.96565	43.1
57.93565	7.7
63.59724	0.8
70.30420	0.8
70.84566	2.2
71.95264	7.1
98.97582	99.2
99.97906	1.1
104.84949	0.7
116.97360	13.5
116.98616	100.0
117.99005	1.4
134.99654	75.4
136.00014	1.3
137.00060	1.0
139.98903	0.7
139.99173	0.7
140.00157	5.3
153.00710	11.7
153.36237	0.7
158.01254	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	140.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98660	0.5
56.05035	0.2
56.96562	55.4
57.04561	1.4
57.93563	8.0
57.97346	0.3
58.02959	2.9
58.96996	0.1
65.81151	0.1
70.85415	0.4
71.06115	0.5
71.95261	8.6
74.97606	0.5
79.52423	0.1
81.04542	0.3
82.06573	0.1
84.04488	0.2
85.07677	0.1
85.45752	0.1
94.06582	0.1
95.06071	0.3
97.06377	0.2
97.99165	0.3
98.07176	8.4
98.97578	100.0
99.05573	2.9
99.07482	0.3
99.97915	1.4
112.03979	0.2
112.08733	0.3
113.07089	0.1
116.97365	11.9
116.98609	99.1
117.98960	1.5
118.99009	0.2
122.07142	4.5
123.05544	0.3
123.07426	0.2
131.00154	0.2
134.99649	70.8
136.00017	1.2
137.00079	0.3
139.98831	0.6
140.00179	6.3
140.07137	0.2
140.08177	3.3
141.00464	0.3
141.01807	0.2
141.05473	0.2
141.06569	0.2
148.96140	0.7
149.01167	0.2
153.00700	12.5
154.01076	0.2
158.01253	7.1
159.01611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
56.96554	3.6
67.05504	2.4
71.59833	3.6
71.60192	2.6
84.64178	2.1
92.04993	3.3
93.05756	3.0
94.06560	19.9
96.04488	4.8
98.98434	3.7
110.06062	20.1
138.05499	100.0
138.09183	4.2
138.10268	2.4
139.05833	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03937	0.8
56.96547	0.4
65.03942	1.3
65.30705	0.2
66.03465	0.2
66.56468	0.2
67.05502	0.8
68.05030	0.3
69.91336	1.2
78.03436	0.5
79.04224	0.4
82.06564	0.3
92.05017	2.2
93.04528	2.9
93.05777	0.9
94.06566	19.4
95.04914	0.3
95.06081	1.5
95.06902	0.5
96.04488	3.6
97.04037	0.2
103.02402	0.3
110.06039	17.7
111.06361	0.4
119.01910	0.4
121.03996	6.6
133.01643	0.2
133.03481	1.0
138.05499	100.0
139.05000	3.1
139.05858	3.6
140.74538	0.2
151.04564	0.3
154.04984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03946	1.8
55.01868	1.1
55.05512	7.6
56.05846	0.4
57.03431	0.5
57.07077	7.4
62.29007	0.4
65.03939	1.7
67.05503	38.2
68.05844	1.3
69.03432	1.3
69.07069	7.0
71.08634	0.5
71.59843	0.7
71.80460	0.4
79.05489	10.7
80.05814	0.4
81.03409	0.7
81.07055	67.5
82.07395	2.4
82.14847	0.4
83.08630	0.5
91.05478	9.0
91.06004	0.7
93.07040	10.3
94.04196	0.8
94.07371	0.7
95.04966	3.7
95.08604	100.0
96.08939	4.7
97.06420	0.5
98.57725	0.5
100.77665	0.5
104.02464	0.4
107.04955	0.7
107.08610	1.3
109.06517	1.8
109.10155	8.4
116.62448	0.4
119.08583	3.5
122.07305	0.5
135.11697	0.5
137.02512	0.9
137.05962	1.7
137.08032	0.7
137.09613	14.0
137.13248	8.1
138.01741	0.6
138.05534	0.9
138.10040	0.7
138.92776	0.4
156.10049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03947	2.0
54.03449	0.6
55.01867	0.9
55.05510	7.5
56.96565	0.5
57.07074	7.1
65.03938	2.3
66.04738	0.6
66.71695	0.5
67.05503	41.7
68.05000	0.7
68.05824	1.3
69.03416	1.5
69.04555	0.7
69.07066	5.8
70.14626	2.2
70.54649	0.5
71.04964	0.5
71.08626	0.9
79.05495	12.1
81.03418	1.6
81.04536	1.2
81.07053	70.4
82.06593	0.7
82.07398	3.4
91.05479	10.7
92.05796	1.0
93.07044	11.4
94.04200	3.5
94.06570	0.9
95.04962	5.5
95.08603	100.0
96.04514	1.3
96.05639	0.7
96.08932	4.8
97.06401	3.8
98.04833	1.1
98.21410	0.6
101.54658	0.5
105.04522	0.6
107.04943	0.9
107.08583	1.3
109.06524	6.3
109.10152	9.5
110.06054	1.7
110.07204	2.6
110.10465	0.8
111.05569	0.5
114.93536	0.5
117.07001	0.6
119.08577	4.0
120.05692	0.5
121.06531	1.0
122.03677	3.4
122.07277	3.0
123.06754	0.9
137.02498	4.0
137.03375	0.7
137.05989	7.4
137.07037	1.0
137.08173	1.7
137.09621	17.7
137.13237	7.9
138.01767	1.7
138.05498	3.4
138.06618	2.4
138.09094	1.5
138.10077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03941	2.5
55.01861	2.3
55.05517	8.1
57.03411	1.7
57.07073	6.8
65.03928	2.4
67.05503	49.7
68.05842	1.5
69.03429	2.3
69.07071	6.3
71.61362	2.3
79.05492	13.5
79.45599	1.2
80.05784	1.2
81.03423	2.0
81.07058	68.0
82.07375	3.1
83.04946	1.2
83.92329	1.5
91.05486	14.3
93.07037	13.1
94.04166	5.4
94.06576	8.6
95.04967	8.8
95.08605	100.0
96.04500	2.9
96.08930	4.6
105.06950	1.3
107.08597	1.9
109.06512	6.3
109.10178	8.7
110.06042	10.0
110.10507	1.5
119.08571	4.4
120.04468	1.6
122.03634	4.0
122.07252	5.2
123.06783	1.7
127.60788	1.3
133.00354	1.2
136.62225	1.4
137.02481	7.2
137.05956	9.7
137.09621	30.3
137.13243	9.0
138.01746	4.2
138.04430	2.0
138.05504	30.9
138.06523	3.1
138.09105	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03946	6.7
54.03464	5.1
55.01883	6.0
55.05510	7.5
56.03764	2.8
56.05020	4.6
56.87144	1.4
56.96547	2.6
57.07058	3.0
57.48945	1.1
59.06103	1.6
61.13913	1.2
65.03938	9.0
65.04221	1.3
66.04727	7.2
67.05504	90.4
68.05024	5.6
68.05822	2.6
69.03416	5.4
69.04556	8.9
69.07074	6.6
70.02946	1.7
70.06570	2.0
70.72598	3.2
72.04496	4.1
77.03899	1.2
79.02972	1.9
79.05492	20.7
80.05022	1.7
81.03426	4.2
81.04154	1.4
81.04552	17.6
81.07057	55.6
82.06612	5.9
82.07384	1.6
83.06093	5.6
89.67453	1.1
91.05486	25.7
92.04996	1.6
92.05808	1.9
93.04523	2.8
93.07034	12.2
94.04187	50.7
94.06554	2.9
95.04457	1.5
95.04981	17.1
95.06070	6.2
95.08608	32.0
96.04513	3.2
96.05637	8.9
96.06886	1.5
97.04002	3.1
97.05809	2.5
97.06399	32.5
97.07659	4.6
98.04774	6.1
103.05479	1.3
105.04525	1.7
107.04961	13.9
107.08614	3.4
108.09408	1.2
109.06530	16.1
109.07644	2.8
109.10155	81.3
110.06051	5.0
110.07164	24.8
110.07912	2.2
110.10522	3.3
111.05568	9.9
111.07401	1.4
111.09238	1.4
111.87318	1.3
114.37510	1.5
117.06987	1.7
119.04910	3.2
119.08605	9.5
120.04458	3.2
120.05575	4.6
121.02809	1.4
121.06535	6.0
121.07620	3.6
122.03651	59.8
122.05993	2.0
122.07293	44.4
122.96299	1.2
123.03953	2.2
123.06799	2.1
123.07618	2.4
127.07545	3.1
135.08047	2.5
136.19556	1.2
137.02548	8.2
137.05981	100.0
137.06961	4.4
137.08215	13.9
137.09621	68.8
137.13321	2.4
138.01801	3.5
138.05495	11.7
138.06544	11.0
138.09117	4.5
138.10211	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.03464	1.4
55.01860	1.5
55.05504	3.3
56.03772	0.9
56.96558	1.3
57.07084	1.0
58.83626	0.8
65.03936	2.1
66.04687	0.9
67.05503	35.5
69.03421	3.4
69.04547	1.6
69.07053	2.3
69.63079	3.0
69.63511	3.1
72.04498	1.3
77.03931	1.1
79.05496	7.3
81.03416	1.4
81.04524	2.7
81.07061	16.6
82.06571	1.6
82.07419	0.9
90.75931	0.8
91.05485	18.9
92.05809	0.9
93.07047	5.9
94.04207	5.5
94.06554	1.2
94.07838	2.1
95.04975	8.1
95.06085	1.0
95.08041	1.4
95.08604	15.3
96.04485	0.9
96.05643	1.9
97.06406	6.9
97.07668	1.0
98.04804	1.1
98.20765	1.7
103.05455	1.7
107.04954	24.4
107.08599	1.8
109.06491	4.1
109.10156	37.4
110.06014	1.2
110.07173	5.9
110.10500	1.7
111.05587	1.5
117.07018	2.3
119.04977	1.7
119.08591	17.0
120.04425	1.1
121.06505	9.7
122.03687	5.9
122.07285	100.0
123.07630	3.3
135.08078	4.5
137.02502	4.3
137.03397	0.8
137.04785	1.0
137.05980	13.8
137.08281	2.5
137.09615	86.7
137.13243	1.4
138.01697	1.4
138.05490	3.9
138.06581	3.1
138.09067	1.3
138.10040	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02368	0.9
53.03944	3.2
53.63477	0.5
54.03462	0.6
55.01876	1.0
55.05513	4.3
56.96567	1.7
57.07080	3.0
65.03938	2.5
66.04716	4.7
66.05025	0.6
67.05505	41.6
68.05047	0.7
68.05846	0.7
68.28181	0.5
69.03426	1.9
69.04543	1.9
69.07071	3.8
71.19091	0.9
72.04537	1.0
77.03938	1.0
79.05059	0.7
79.05497	11.1
80.05837	0.5
81.03446	1.5
81.04548	1.6
81.07059	30.5
82.06595	0.7
82.07391	0.9
91.05486	16.5
93.07047	7.3
94.04190	32.7
94.06573	1.1
94.07832	1.2
95.04999	5.9
95.06087	0.6
95.08608	37.9
96.04535	0.7
96.05635	1.7
96.08936	1.6
97.06406	4.1
98.04810	1.2
103.05469	2.0
104.06229	0.7
105.04515	1.0
106.02888	0.5
107.04959	23.5
107.08613	1.6
108.04532	0.6
109.06533	4.2
109.10159	37.6
109.50160	0.5
110.06046	1.6
110.07171	3.3
110.09688	0.8
110.10495	0.8
110.57138	0.5
111.05592	1.1
117.07007	2.3
119.04994	0.6
119.08581	17.5
120.05575	0.5
121.02811	0.6
121.06515	10.0
122.03654	47.9
122.07290	100.0
123.03961	2.8
123.07613	2.9
130.24147	0.6
135.04401	0.7
135.08047	4.1
137.02454	2.2
137.05984	68.4
137.09618	88.0
137.13258	2.2
138.05492	5.1
138.06454	3.8
138.09973	3.8
139.07649	0.7
141.66014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03938	2.9
54.03464	1.4
55.01860	1.5
55.05504	3.3
56.03772	0.9
56.96558	1.3
57.07084	1.0
58.83626	0.8
65.03936	2.1
66.04687	0.9
67.05503	35.5
69.03421	3.4
69.04547	1.6
69.07053	2.3
69.63079	3.0
69.63511	3.1
72.04498	1.3
77.03931	1.1
79.05496	7.3
81.03416	1.4
81.04524	2.7
81.07061	16.6
82.06571	1.6
82.07419	0.9
90.75931	0.8
91.05485	18.9
92.05809	0.9
93.07047	5.9
94.04207	5.5
94.06554	1.2
94.07838	2.1
95.04975	8.1
95.06085	1.0
95.08041	1.4
95.08604	15.3
96.04485	0.9
96.05643	1.9
97.06406	6.9
97.07668	1.0
98.04804	1.1
98.20765	1.7
103.05455	1.7
107.04954	24.4
107.08599	1.8
109.06491	4.1
109.10156	37.4
110.06014	1.2
110.07173	5.9
110.10500	1.7
111.05587	1.5
117.07018	2.3
119.04977	1.7
119.08591	17.0
120.04425	1.1
121.06505	9.7
122.03687	5.9
122.07285	100.0
123.07630	3.3
135.08078	4.5
137.02502	4.3
137.03397	0.8
137.04785	1.0
137.05980	13.8
137.08281	2.5
137.09615	86.7
137.13243	1.4
138.01697	1.4
138.05490	3.9
138.06581	3.1
138.09067	1.3
138.10040	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03943	4.6
53.04163	0.8
54.03462	1.7
55.01865	2.5
55.05506	2.9
56.03782	0.9
56.05029	1.3
56.96554	2.4
57.07068	1.6
65.03925	4.1
66.04726	9.2
67.05504	33.6
68.05016	2.1
69.03424	2.1
69.04537	2.9
69.07062	2.9
71.59602	0.9
71.59997	1.0
72.04501	2.4
77.03927	2.4
79.05495	12.4
80.04963	1.0
81.03428	2.9
81.04536	5.4
81.07059	22.3
82.06570	2.7
82.07382	1.1
83.06107	1.8
91.05476	21.6
92.05804	1.6
93.07019	7.7
94.04182	55.1
94.06557	5.1
94.07832	1.4
95.04502	1.3
95.04970	9.6
95.06084	2.6
95.08605	25.9
96.04492	1.4
96.05602	3.2
97.06389	13.6
97.07668	1.7
98.04795	2.1
98.36226	0.9
103.05503	1.4
105.04495	1.1
107.04947	19.0
107.08595	2.2
109.06510	6.8
109.07617	1.7
109.10156	29.8
110.06051	5.3
110.07172	8.9
111.05548	2.4
117.07025	2.1
117.97412	0.8
119.04958	1.8
119.08589	12.5
120.04505	1.4
120.05592	1.7
121.06499	8.4
121.07320	1.1
121.07641	1.1
122.03652	66.6
122.07284	81.6
123.03994	2.7
123.07629	3.0
135.08038	3.2
137.02490	4.7
137.05977	100.0
137.08243	5.0
137.09616	73.3
137.10533	2.0
137.13211	2.1
138.01730	2.1
138.05482	15.6
138.06480	6.3
138.09081	1.7
138.10069	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03931	1.8
53.61666	0.7
55.01869	1.1
55.05511	4.0
57.07059	2.7
61.13503	0.7
65.03933	1.7
67.05503	41.4
68.05030	1.2
69.03431	1.3
69.04530	0.8
69.07073	3.5
69.62844	5.4
72.14046	0.8
78.04733	1.1
79.05500	7.5
81.03437	1.8
81.04531	2.2
81.07057	24.0
82.07385	0.7
91.05477	15.9
93.07043	6.3
94.04188	3.9
94.06560	1.0
94.07824	1.5
95.04977	6.3
95.06078	1.2
95.08604	31.4
96.05662	0.9
97.06380	4.7
98.04768	1.5
100.92155	0.7
103.05453	2.1
104.06226	1.8
105.07054	1.0
107.04950	21.9
107.08581	1.6
109.06516	3.1
109.07692	0.8
109.10149	35.1
110.06041	1.0
110.07172	3.8
110.10495	1.4
117.07015	2.7
119.04930	0.9
119.08572	14.7
119.09349	1.3
120.05556	1.1
121.06501	9.6
122.03649	5.3
122.07280	100.0
123.07623	2.8
130.34692	0.9
135.08051	2.9
137.02403	3.7
137.03450	1.3
137.05980	10.8
137.09612	84.9
137.13271	2.1
138.05499	3.3
138.06461	1.3
138.09044	0.8
138.09978	4.1
138.12071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
54.03470	18.2
55.01864	5.1
55.05499	7.3
56.03772	5.0
56.05023	5.9
56.96555	3.8
58.02946	2.9
59.06119	2.4
65.03947	10.0
66.04716	7.0
67.05507	64.7
68.05015	10.1
69.03423	4.5
69.04557	16.7
69.07062	3.3
69.44987	12.9
69.45396	3.8
70.02945	4.6
70.06598	2.8
72.04506	5.1
74.84578	1.5
77.03886	2.4
77.62840	1.8
79.02999	3.1
79.05494	20.3
80.05006	6.0
81.03414	6.6
81.04542	45.3
81.05777	2.0
81.07052	33.6
82.04853	1.9
82.06574	11.4
83.06109	16.9
91.04963	3.1
91.05486	37.9
92.05031	2.0
92.05817	4.3
93.04527	5.6
93.07030	18.4
94.04189	44.0
94.06566	9.7
95.04973	19.6
95.06078	10.7
95.08607	58.4
96.04485	5.3
96.05624	18.4
96.06899	3.5
96.08100	2.4
96.08967	2.3
97.04008	4.0
97.06397	57.6
97.07662	6.4
98.04774	9.8
98.08437	1.9
107.04956	10.6
107.08577	1.8
109.06525	16.5
109.07655	5.2
109.10158	31.8
110.06068	9.6
110.07180	53.1
110.07941	3.8
111.05562	22.8
111.09200	3.0
111.72210	2.1
117.07074	2.5
119.04935	2.4
119.08598	13.3
120.04439	3.5
120.05587	11.4
120.07653	3.9
121.02904	2.7
121.03986	2.3
121.06485	4.2
121.07633	5.2
122.03654	64.0
122.07291	30.9
123.03928	2.4
123.06785	2.5
136.15001	1.8
137.02513	14.1
137.05983	100.0
137.07048	5.4
137.08215	35.0
137.09622	60.7
137.10661	4.0
137.13255	2.9
138.01810	3.0
138.05496	22.3
138.06596	26.2
138.09125	7.7
138.10246	17.7
157.84984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.6
52.13196	0.4
53.03946	1.8
54.03470	3.2
55.01865	1.9
55.05511	1.2
56.03783	0.9
56.05038	1.6
56.96558	1.8
59.06106	0.4
65.03935	3.2
65.56723	0.4
66.04725	6.8
67.05505	7.3
68.05028	2.0
69.03428	1.3
69.04552	3.4
69.05360	0.5
69.07098	0.4
69.57848	3.0
70.02956	1.1
70.06585	0.7
72.04523	1.6
77.03938	0.6
78.46315	0.5
79.05490	7.6
80.05011	0.8
81.03436	1.1
81.04541	10.3
81.07058	6.3
82.05328	0.5
82.06577	2.0
83.06093	2.9
91.05480	9.8
91.06010	0.8
92.05008	0.8
92.05818	0.8
93.04538	1.2
93.07060	2.6
94.04188	52.9
94.06550	2.4
95.04510	0.9
95.05003	4.8
95.06089	2.0
95.08595	3.5
96.04501	2.4
96.05623	3.0
96.06887	1.0
97.04042	0.9
97.06396	12.0
97.07652	1.4
98.04807	1.8
98.21407	0.5
105.03409	0.7
107.04945	2.7
107.62460	0.4
109.06528	4.2
109.07654	1.2
109.10177	2.2
110.06039	1.4
110.07176	11.0
110.07948	1.0
111.05584	4.9
111.09182	0.6
119.04977	1.1
119.06078	0.5
119.08588	1.2
120.04439	0.7
120.05592	2.7
121.03996	1.0
121.06499	0.8
121.07631	1.6
122.03648	69.8
122.07252	2.2
123.03967	2.4
123.06759	0.6
135.04401	1.1
137.02530	2.6
137.05978	100.0
137.08130	7.4
137.09682	4.6
137.10710	1.1
138.01810	0.5
138.05476	4.2
138.06503	6.7
138.09128	1.9
138.10263	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02943	0.3
52.97981	0.3
53.03945	0.9
54.03467	2.7
55.01872	1.2
55.04221	0.4
55.05516	0.8
56.03773	0.6
56.05031	1.0
56.96567	5.7
57.04562	0.4
62.10825	0.3
64.69772	0.4
65.00861	0.4
65.03938	8.6
66.03465	0.5
66.04297	0.4
66.04714	0.5
67.02997	0.5
67.05501	3.9
68.05020	2.1
69.03419	0.6
69.04544	3.3
70.02949	1.6
70.71821	1.0
72.04509	1.5
74.97640	0.5
79.02991	0.8
79.05494	3.4
80.05006	1.3
81.03410	1.0
81.04536	7.6
81.07052	5.2
82.02943	0.7
82.05309	0.4
82.06582	2.0
83.04980	0.4
83.06096	3.5
88.49604	0.3
91.05477	100.0
92.04996	0.7
92.05811	4.0
93.04527	1.6
93.07021	2.0
94.04179	4.3
94.06567	1.0
95.04985	2.3
95.06075	0.9
95.08598	1.6
96.04514	0.9
96.05619	2.2
97.04007	1.4
97.06392	6.2
97.07684	0.9
98.04794	1.7
98.97592	0.4
107.04941	0.9
109.02859	0.4
109.06504	4.5
109.07657	1.2
109.10162	1.2
110.06023	1.6
110.07169	6.8
110.07893	0.4
111.05569	5.1
119.04941	28.6
120.04478	0.5
120.05506	3.0
121.02795	0.4
121.04023	2.2
121.06424	0.5
121.07644	1.0
122.03650	4.3
122.07260	1.3
137.02502	2.5
137.05974	31.9
137.06999	1.4
137.08131	5.1
137.09589	1.7
137.10724	1.0
138.01714	0.7
138.05492	2.6
138.06584	6.9
138.09175	0.7
138.10248	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.6
53.03943	0.9
55.01871	0.8
63.37815	0.2
65.03941	1.7
65.82648	0.2
66.04722	8.4
67.05491	0.7
69.03424	0.3
70.22524	0.9
71.37209	0.2
77.03923	0.9
79.05489	4.6
81.03402	0.4
81.07059	2.3
91.05481	3.5
93.03420	0.3
94.04184	53.0
95.04498	0.9
95.05031	2.2
95.08595	0.3
105.03394	0.7
107.04947	1.9
109.06516	1.1
111.04465	0.2
122.03644	73.4
123.03974	2.7
135.04416	0.6
136.66112	0.2
137.05972	100.0
138.05382	0.5
138.06320	4.6
149.39799	0.3
156.82652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.35373	0.6
53.03934	2.5
54.03450	0.7
55.01863	1.9
55.05493	0.7
56.05013	0.9
56.96555	1.4
65.03928	2.5
65.68374	0.6
66.04716	5.6
67.05504	6.1
68.05023	1.6
69.03418	0.9
69.04539	0.8
69.07084	0.6
71.04652	1.3
71.04986	0.9
77.03922	1.2
79.05497	6.3
81.03413	2.1
81.04539	1.1
81.07060	6.9
82.06563	1.0
84.96246	0.6
91.05473	6.3
92.04971	0.6
93.07034	2.3
94.04185	48.8
94.06544	1.2
95.04442	0.8
95.05016	4.0
95.06020	0.6
95.08613	4.5
96.04513	0.7
96.05627	1.3
97.06388	4.2
98.04809	0.8
107.04945	2.8
109.06496	3.8
109.10163	2.1
110.06054	1.4
110.07153	2.3
119.04940	0.8
119.08587	0.9
122.03646	66.5
122.07280	2.1
123.03976	2.7
135.04399	0.8
137.02496	3.3
137.05975	100.0
137.08148	2.1
137.09593	3.6
138.05447	5.5
138.06334	4.7
138.09187	0.8
138.10229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01585	0.3
51.02383	0.4
53.03955	1.2
53.04159	0.2
55.01870	1.0
55.05506	0.3
58.98882	0.2
65.03935	2.1
66.04723	7.2
67.05497	0.9
69.03426	0.3
71.30972	0.4
77.03938	0.8
79.05054	0.3
79.05490	4.8
81.03408	0.5
81.07058	2.6
82.85022	0.2
87.67612	0.2
91.04951	0.4
91.05475	4.3
92.05795	0.2
93.03426	0.4
94.04183	56.7
95.04417	1.4
95.05029	2.0
95.08599	0.9
105.03391	0.9
105.04508	0.3
107.04958	2.3
109.06520	0.8
110.06038	0.3
111.04485	0.3
121.02810	0.2
122.03643	72.9
123.03973	2.7
135.04391	0.8
137.05969	100.0
138.05489	0.4
138.06335	4.8
143.95119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0459
Annotation	Hypoxanthine
Peak:m/z	Relative Intensity
53.03940	0.2
54.03466	0.4
55.01873	0.2
55.02993	1.7
55.05495	0.2
56.05035	0.3
56.96332	0.2
56.96565	2.2
57.03421	0.1
61.02905	0.1
65.03939	0.3
67.02975	0.5
67.05500	0.7
68.05019	0.4
69.03413	0.3
69.04540	0.4
70.02941	0.2
71.05284	0.3
79.05482	0.4
80.05012	0.3
81.03411	0.2
81.04530	0.9
81.07058	0.5
82.04066	1.9
82.06561	0.4
83.02458	0.3
83.06100	0.5
87.91787	0.2
91.05472	1.2
92.02496	0.3
93.04557	0.3
93.07027	0.2
94.04053	6.6
94.06572	0.6
95.04392	0.2
95.04965	0.3
95.06097	0.3
95.08595	0.3
96.04474	0.3
96.05617	0.2
97.03994	0.3
97.06393	0.9
97.07623	0.2
98.01284	0.2
98.04802	0.2
98.97564	0.4
109.06516	0.5
109.07652	0.3
110.03526	13.0
110.06007	0.7
110.07162	0.7
111.03864	0.4
111.05549	0.4
112.05080	1.2
116.98626	0.5
119.03547	9.7
120.03830	0.2
120.04563	0.2
120.05562	0.4
120.08049	0.2
121.03983	0.2
121.06522	0.2
122.03669	0.4
122.07322	0.2
128.04553	0.8
131.01849	0.1
131.98788	0.1
132.02031	0.2
133.01688	0.2
133.03508	0.3
137.04582	100.0
138.02966	0.8
138.04759	2.1
138.05576	1.2
138.06628	0.8
138.09169	0.2
138.10213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03944	3.1
54.03467	8.6
55.01869	2.0
55.04249	1.9
56.96574	1.5
58.02961	64.9
65.03932	5.4
66.04711	3.5
67.02989	3.1
67.05505	7.6
68.05032	22.4
69.03429	3.3
69.04540	2.4
70.75681	4.1
75.03271	1.3
76.04003	8.3
78.04679	1.5
79.05494	19.2
80.04615	1.3
80.05020	7.5
81.03391	2.7
81.04543	16.2
81.05791	1.7
81.07063	7.6
82.06567	5.0
83.06093	2.8
91.05481	70.2
92.05019	3.3
92.05794	4.9
93.04516	2.5
93.05775	5.9
93.07043	4.8
94.04183	34.4
94.06593	1.6
95.04998	7.3
95.06087	21.6
95.08607	7.7
96.05602	5.8
96.06874	27.2
97.06396	16.9
101.93505	1.4
104.04958	2.2
104.06250	2.6
106.07329	1.7
107.04955	3.2
107.06065	1.9
108.04477	2.3
108.05628	2.5
108.08119	4.4
109.01105	7.7
109.04005	1.4
109.06514	6.8
109.07645	31.3
109.08337	1.1
109.10158	2.0
110.06046	1.5
110.07162	12.5
110.07890	2.3
117.05777	6.1
118.06546	44.2
119.03550	5.8
119.04969	4.4
119.06042	5.1
119.07327	100.0
120.07653	3.9
121.08899	2.6
122.03647	58.6
122.07261	3.4
131.01917	3.8
136.02167	74.9
136.03923	4.6
136.05148	3.1
136.06189	56.3
136.07573	48.3
136.08688	32.1
136.11223	4.0
137.02467	4.6
137.04704	3.9
137.05974	95.4
137.07004	4.5
137.08122	11.2
137.09602	5.9
137.10655	2.1
149.02950	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03939	0.8
54.03466	1.3
56.05033	0.8
56.96576	2.2
60.04517	0.6
61.14176	0.4
65.03934	2.3
66.04740	0.4
67.05511	1.4
68.05028	3.8
69.03423	0.8
69.04537	1.0
70.73118	0.4
70.73467	1.2
79.05486	2.0
80.05013	2.5
80.05815	0.6
81.03419	1.1
81.04538	4.9
81.07043	2.6
82.06574	0.8
83.06089	0.9
91.05476	100.0
92.04993	0.6
92.05819	2.9
93.04541	0.8
93.05785	1.1
93.07030	1.9
94.04135	2.9
94.06565	1.9
94.24958	0.4
95.04990	2.1
95.06096	3.8
95.08587	1.4
96.05592	1.2
96.06873	6.9
97.06384	2.9
107.04955	4.4
107.06078	0.6
108.04501	0.9
108.05270	1.1
108.08109	2.4
108.08800	0.5
109.01087	3.1
109.02842	0.5
109.06530	5.6
109.07641	7.9
110.06002	0.6
110.07168	3.8
116.98663	0.5
118.06538	4.3
119.01936	0.6
119.03674	2.3
119.04939	21.4
119.05991	1.2
120.05337	1.0
122.03652	1.3
122.07278	0.8
131.01906	0.9
136.01085	0.7
136.02162	26.6
136.03925	2.1
136.05104	1.6
136.06180	26.9
136.07562	24.1
136.08676	8.0
136.11157	0.7
137.02444	1.9
137.04579	3.1
137.05913	4.4
137.07108	0.6
137.08150	3.4
137.09552	1.3
137.10713	1.0
149.02901	0.8
150.85487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.01850	0.2
56.04770	0.2
56.96557	0.8
57.03426	0.4
65.03923	0.4
67.02988	0.6
69.55224	1.1
69.55621	0.3
72.09505	0.2
82.04065	0.3
90.36121	0.2
91.05477	27.3
92.02489	0.8
92.05824	1.0
94.04053	4.3
98.21529	0.3
100.02481	0.5
107.04944	1.9
109.05131	0.9
109.06492	0.6
109.07641	0.2
112.05072	0.5
118.03481	0.2
118.06539	0.8
119.03554	12.4
119.04906	5.8
120.03924	0.4
122.04502	0.2
125.97604	0.2
126.05759	0.2
131.01897	1.1
133.49950	0.2
136.06181	100.0
136.07426	3.0
137.04584	10.9
137.06670	2.2
149.02898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03941	0.7
54.03453	1.1
55.83226	0.4
66.04733	0.5
67.02969	0.7
67.05495	1.4
68.05032	4.1
68.16093	0.5
69.03416	0.9
69.04527	1.0
71.58984	0.7
71.59325	0.5
79.05486	1.5
80.05010	1.3
81.04536	2.4
81.07033	1.0
82.06559	1.3
91.05483	5.6
92.02480	0.7
93.04488	0.5
93.07040	1.0
94.04114	7.1
95.04944	1.4
95.06092	2.6
96.05661	0.5
96.06861	4.3
97.06374	2.1
107.04927	1.1
108.04437	0.6
108.08132	0.9
109.01107	2.2
109.05122	0.7
109.06490	1.3
109.07633	4.7
110.07144	1.5
112.05060	0.6
118.06531	0.9
119.03551	9.8
119.06068	0.9
122.03628	5.0
122.07214	0.6
126.87411	0.6
131.01910	1.1
136.02161	15.8
136.03944	1.9
136.06183	100.0
136.08669	4.6
137.02444	1.2
137.04585	7.7
137.05975	8.8
137.08232	1.5
137.09636	1.1
144.17656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	3.7
55.01870	1.6
55.05506	8.8
57.07072	1.6
65.03940	3.1
67.05501	4.1
68.05022	1.4
69.07068	2.7
69.48127	3.7
69.48549	6.9
75.68941	1.2
79.05492	26.1
80.05032	1.3
81.07057	3.3
86.21707	1.1
91.05482	63.2
92.05791	1.6
93.07043	53.7
95.04956	10.9
95.06050	1.6
103.05436	2.2
105.04498	1.7
105.07034	27.6
107.04937	4.4
107.08595	100.0
108.08926	5.3
109.06516	11.0
109.07626	2.1
115.05433	3.7
117.07008	4.4
119.06092	4.2
119.08574	23.8
120.09337	5.1
135.04456	3.2
135.05481	1.8
135.06516	2.0
135.08067	8.6
135.11697	36.0
136.02177	18.2
136.03888	2.7
136.06178	10.2
136.07518	2.0
136.08597	1.7
136.12065	1.5
137.09590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.49350	0.6
53.03947	4.9
55.01870	2.3
55.05512	8.3
57.07072	1.3
58.02962	2.3
65.03934	4.6
65.47069	0.7
66.03487	0.7
67.05502	5.0
68.05025	5.2
69.07067	2.3
70.94419	1.8
77.03932	1.1
79.05492	33.0
81.03425	1.1
81.07064	3.9
87.05604	1.3
91.05479	67.5
92.05791	1.8
92.06312	1.0
93.07042	51.7
94.07353	1.4
95.04967	13.6
95.06082	3.0
95.08551	1.0
96.06876	5.6
103.05455	1.8
104.06230	2.0
105.04513	2.2
105.07030	35.7
106.07291	1.5
107.04944	4.9
107.08591	100.0
107.47763	0.7
108.08198	1.5
108.08922	5.0
109.01113	1.2
109.06513	14.9
109.07611	4.9
115.05461	2.8
116.65676	0.7
117.07005	5.8
118.06566	1.2
119.06087	5.5
119.07332	2.5
119.08582	19.4
120.09382	6.0
133.10114	1.7
135.04515	4.6
135.05534	1.7
135.06592	2.0
135.06868	1.3
135.08051	15.1
135.09084	1.2
135.10843	1.2
135.11688	27.9
136.02165	19.8
136.03888	1.3
136.05067	1.1
136.06181	4.3
136.07555	4.7
136.08682	5.7
136.12042	1.0
137.09589	1.2
138.15495	0.8
147.09218	0.9
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
51.02385	1.2
53.03946	5.0
54.03473	1.1
55.01870	2.7
55.05522	8.3
56.96564	2.3
57.07067	1.3
60.95859	1.2
65.03931	3.8
67.02985	2.1
67.05506	5.5
67.89967	1.0
68.05026	5.8
69.07081	2.2
71.14680	1.2
71.15007	1.5
77.00829	1.0
78.04720	1.2
79.05496	32.2
80.05023	2.3
80.05757	0.9
81.04543	2.1
81.07059	4.9
91.05487	63.1
92.05804	2.6
93.02084	1.0
93.04536	1.2
93.05779	2.2
93.07050	52.8
94.04054	1.4
94.07359	2.5
95.04971	12.0
95.06091	6.0
95.08599	1.4
96.06882	5.9
98.21427	1.2
103.05474	1.2
104.06266	1.4
105.04512	2.7
105.07034	27.2
107.04974	7.0
107.08601	100.0
108.05555	1.1
108.08141	1.4
108.08936	3.3
109.01112	3.7
109.06522	12.4
109.07661	5.9
110.46883	1.0
115.05476	3.3
117.07013	4.0
119.03545	1.5
119.06083	4.0
119.08587	18.8
120.09357	6.3
123.29443	0.9
131.01924	1.3
133.10161	2.3
134.07193	1.4
135.04498	7.2
135.05536	2.9
135.06529	4.7
135.08083	10.2
135.10686	1.6
135.11699	29.9
136.02173	40.2
136.03886	2.5
136.05128	2.0
136.06187	19.3
136.07565	5.1
136.08572	8.8
136.12090	1.5
137.04622	1.6
137.09615	1.3
145.94402	0.9
149.01236	2.0
151.62720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.34300	0.8
53.03927	3.5
55.05299	0.7
55.05506	7.0
57.07067	0.8
65.03921	2.9
67.05493	1.8
69.07059	2.6
70.91837	1.5
75.03365	0.7
77.03924	1.1
78.35744	0.8
79.05491	17.9
81.07037	3.4
91.05476	52.7
92.05807	1.6
93.07040	52.6
94.07332	1.6
95.04955	8.7
95.08598	1.1
103.05424	1.2
103.90788	0.8
104.06250	1.3
105.04543	0.8
105.07030	24.5
106.07272	0.9
106.07896	0.9
107.04935	1.4
107.08589	100.0
108.08919	3.2
109.06514	10.4
109.07635	1.0
115.05447	2.0
117.07011	3.5
119.06078	3.0
119.08580	21.0
120.09412	5.1
133.10130	2.1
135.04424	0.8
135.08023	2.9
135.11687	35.3
136.02162	4.0
136.06131	1.2
136.12059	1.9
137.09628	2.5
147.09180	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	5.0
55.01859	2.5
55.05512	7.7
55.82400	0.8
57.07071	1.2
65.03925	3.6
65.81577	0.8
67.05497	3.1
68.05009	1.5
69.07053	2.5
69.50143	7.1
79.05489	28.1
79.05950	1.4
80.05832	1.1
81.07048	3.6
85.98235	0.9
91.05477	70.7
92.05810	2.0
92.06310	1.1
93.07041	46.0
94.07354	1.3
94.07883	1.0
95.04969	11.7
95.06081	2.4
95.08602	1.0
96.06877	1.5
103.05466	2.8
104.06257	1.2
105.04526	2.8
105.07021	32.6
106.07834	2.2
107.04974	3.9
107.08590	100.0
107.98543	0.8
108.08942	2.9
109.01137	1.1
109.06514	14.9
109.07627	2.0
115.05464	5.1
117.07014	6.4
119.06110	5.5
119.07791	1.6
119.08575	22.3
120.09429	6.5
122.82935	1.0
124.05167	0.9
128.69974	1.1
133.10201	1.8
135.04424	1.5
135.08064	10.2
135.09001	1.4
135.11687	23.5
136.02167	7.9
136.05038	1.0
136.06129	2.0
136.07649	0.9
136.08714	2.2
136.12064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
53.03938	5.0
55.01855	3.4
55.02456	1.0
57.03423	1.2
60.04533	1.7
65.03941	3.0
67.05514	2.0
68.05024	3.5
71.44634	2.0
71.44964	1.1
75.79732	1.0
77.03939	1.1
78.82055	1.1
79.05493	28.5
80.05027	1.9
82.06569	1.3
87.05576	2.1
91.04900	1.3
91.05479	24.2
92.06258	1.6
93.07035	7.5
94.04180	1.3
94.06590	1.3
95.04964	12.6
95.06089	3.1
96.06874	4.5
103.05469	28.4
104.05802	1.3
105.07031	23.5
106.07395	1.3
107.04952	100.0
107.08590	9.6
108.05285	2.5
109.01068	1.6
109.06559	2.1
109.07620	4.8
115.05453	5.4
117.07014	4.4
119.04935	1.2
119.06089	1.8
120.05724	4.7
133.06517	1.9
135.04414	4.7
135.08052	77.9
135.11705	2.5
136.02170	17.8
136.05191	1.2
136.06195	6.0
136.07542	2.4
136.08528	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.07973	0.9
50.12394	1.1
53.03933	4.1
53.29804	0.9
53.70859	0.9
55.01623	1.0
55.01869	14.0
55.05502	1.9
56.20485	1.0
57.40961	0.9
65.03942	9.4
67.05502	9.5
68.05033	1.5
69.03430	12.1
71.59058	1.8
79.05490	57.5
80.05022	2.0
80.05814	1.9
81.03410	1.1
81.07076	1.4
89.03915	1.8
91.05479	100.0
92.05791	3.5
92.06272	3.6
93.07045	19.5
94.04057	1.3
94.07324	1.2
94.90034	0.9
95.04961	15.2
105.04491	1.5
105.07029	32.5
107.04942	10.2
107.08595	55.5
108.04521	1.1
108.08179	1.6
108.08910	2.3
109.01122	5.6
109.06518	19.6
114.81271	0.9
115.05456	28.6
117.07012	19.1
118.06551	2.0
118.07322	1.1
119.03552	2.0
119.06059	7.5
119.08618	1.2
120.05682	1.9
124.05246	1.5
131.01900	1.2
131.30637	0.9
135.04501	6.8
135.05542	2.4
135.06641	2.9
135.08055	39.7
135.11647	6.4
136.02162	55.6
136.03926	5.2
136.05113	2.1
136.06184	27.5
136.07541	6.2
136.08517	3.1
136.11171	1.4
137.04575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.01380	1.0
53.03944	6.1
54.03468	1.8
55.01877	9.7
55.05494	4.3
56.96561	3.2
59.49159	1.0
65.03945	10.7
66.03448	1.0
67.02988	2.5
67.05497	7.4
68.05021	7.7
69.03434	7.6
69.07055	2.1
69.49180	9.4
72.88121	0.9
77.03898	1.0
79.03709	0.9
79.05491	62.9
80.04996	2.1
80.05820	1.6
81.03406	1.8
81.07052	5.0
89.03914	4.1
89.49016	1.0
91.05479	100.0
92.05798	2.9
92.06287	2.1
93.04528	1.8
93.05775	1.6
93.07046	41.0
94.04060	2.7
95.04971	16.8
95.06085	4.7
96.06870	6.7
97.67511	1.1
103.05441	1.0
104.06242	1.2
105.04512	3.0
105.07027	33.4
106.07319	1.7
107.04968	10.7
107.06097	1.3
107.08592	70.4
108.04477	1.7
108.05596	1.3
108.08179	1.9
108.08953	3.0
109.01116	6.9
109.06512	18.6
109.07652	4.5
115.05447	23.1
117.03357	1.8
117.07006	16.2
118.06575	2.4
119.03578	2.1
119.06049	7.2
119.08555	8.5
120.05711	1.7
120.09336	1.6
124.06274	1.0
133.06554	1.1
135.04497	8.4
135.05536	3.4
135.06635	5.2
135.08054	43.1
135.09102	2.2
135.11682	15.4
136.02162	85.1
136.03915	3.1
136.05087	2.1
136.06163	18.4
136.07549	6.8
136.08641	7.5
136.11119	1.1
137.04538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.81128	0.8
51.07563	0.7
53.03935	3.4
55.01875	12.3
55.05493	1.9
65.03938	10.9
67.05503	6.5
68.05011	2.0
69.03430	10.5
69.07078	0.8
70.85243	2.1
73.93633	0.8
76.07289	0.8
79.05490	64.9
80.05817	2.1
80.37780	0.8
81.07037	1.2
91.05479	100.0
92.05771	1.8
92.06267	2.9
93.07044	20.4
94.07363	0.9
95.04961	11.8
95.06046	0.8
95.51148	1.0
96.06891	1.4
103.05441	1.0
105.04501	1.2
105.07023	33.3
106.07350	2.4
106.43829	0.9
107.04961	5.8
107.08591	44.4
108.08925	2.7
109.01136	1.5
109.06520	18.2
109.07637	1.7
110.06844	1.1
115.05451	26.9
117.07011	21.2
119.06087	5.3
119.08579	6.2
120.05694	2.4
124.05208	0.8
135.04428	2.4
135.08052	51.2
135.11697	5.1
136.02170	9.4
136.03964	1.0
136.06187	3.2
136.07497	1.2
136.08476	1.9
137.09654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02396	0.8
51.82981	0.6
52.72762	0.8
53.03955	3.8
53.35856	0.6
55.01870	11.4
55.05511	1.5
55.31671	0.8
63.44965	0.7
65.03943	8.6
67.05502	6.3
68.05034	2.6
68.45166	0.8
69.03423	10.6
69.41066	4.3
69.41491	2.8
73.08817	0.7
77.69321	0.7
79.05490	61.9
80.05820	2.3
81.07036	1.1
89.03925	1.3
91.05479	100.0
92.05799	2.5
92.06276	2.0
93.05787	1.0
93.07038	20.1
95.04966	11.7
95.06124	1.3
96.06863	2.4
103.05476	0.8
105.04521	1.7
105.07024	29.6
106.07375	1.8
107.04961	5.2
107.08588	43.4
108.08910	1.3
109.01083	1.3
109.06513	16.8
109.07679	1.8
112.78141	0.8
115.05448	23.1
117.07011	19.5
118.06528	1.1
118.07333	1.4
119.04913	0.7
119.06047	5.8
119.08582	7.0
120.05728	1.0
120.09364	1.8
124.05237	0.8
135.04434	2.3
135.08049	52.5
135.11671	7.6
136.02165	14.4
136.05211	0.9
136.06157	4.3
136.07523	2.0
136.08556	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02364	0.9
52.34840	0.8
53.03941	5.9
55.01863	4.3
55.05493	3.7
57.25824	0.8
63.02372	4.4
65.03941	2.5
67.02970	1.1
67.05492	3.1
68.05025	3.8
69.03426	1.2
69.07068	1.4
71.59532	1.4
77.03940	1.1
77.11408	0.9
79.05489	38.8
80.04955	0.8
80.05811	1.3
81.03428	1.1
81.07036	3.2
83.73785	0.8
89.03912	100.0
90.04237	2.5
91.05479	23.8
93.04530	1.0
93.05782	1.0
93.07037	26.8
94.04069	0.8
95.04966	18.0
95.06065	3.2
96.06270	0.8
96.06869	3.4
105.04506	3.0
105.07028	10.2
107.04944	35.9
107.08585	33.8
108.08858	0.8
109.01072	2.1
109.06516	2.5
109.07632	2.6
115.05444	2.4
117.03374	34.4
117.07015	3.5
118.03805	1.1
119.06078	1.2
119.08563	5.1
120.09353	1.9
122.75235	0.8
134.07133	1.0
135.04414	62.4
135.05396	2.1
135.06668	3.9
135.08035	14.3
135.09033	1.0
135.11676	10.9
136.02159	19.6
136.03854	1.4
136.04892	2.6
136.06221	6.0
136.07552	2.4
136.08603	4.6
149.01613	0.8
150.46758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01858	5.3
55.05489	1.8
56.05032	11.1
56.96562	14.1
57.03432	8.0
58.06597	28.1
58.99866	1.1
59.04996	10.0
59.07375	1.8
60.04519	1.5
60.08141	2.0
61.01133	2.2
61.02903	1.2
62.06087	1.8
63.02691	1.3
68.02625	2.4
68.05014	2.5
69.03419	2.5
70.06590	12.5
70.41399	2.0
70.41786	3.2
71.04990	8.9
71.06893	1.3
72.04516	1.9
72.08138	7.8
73.02908	9.2
74.02439	100.0
74.06078	29.2
75.02759	2.2
75.28619	1.1
76.07639	24.6
77.00861	1.3
78.52966	1.9
79.05496	9.5
79.51888	1.2
81.03410	4.3
81.07036	1.5
85.02898	3.5
86.06069	14.1
87.02639	1.2
88.02204	1.2
88.02633	2.4
88.03990	56.7
88.07622	12.3
90.09171	4.3
91.05516	2.9
92.90061	2.0
93.02039	1.7
93.04477	1.4
93.07033	3.3
93.53432	1.7
93.91217	1.2
95.04970	2.2
97.03213	1.4
98.06046	4.3
98.09701	2.5
99.04453	1.9
100.02499	6.4
101.00905	1.6
101.02438	1.5
102.02388	4.8
102.08547	2.1
102.09174	25.6
106.06556	3.0
106.07294	1.9
107.04938	4.0
107.08604	3.2
109.02878	1.5
111.02924	5.7
113.53191	2.3
116.03481	2.2
116.07083	3.3
116.10715	5.2
118.01126	1.8
118.03511	7.0
119.01907	16.5
119.99150	3.0
120.02048	2.4
131.01932	5.8
134.06075	9.9
134.07108	4.4
134.08128	4.8
134.09628	2.5
134.10724	2.2
134.11760	39.7
135.01515	5.6
135.04419	4.6
135.05492	1.7
135.08034	3.0
137.02934	2.4
142.03520	14.2
143.03642	1.6
145.03418	1.3
146.99634	1.9
149.02933	1.8
150.03082	1.4
154.03525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03934	2.5
55.01875	1.8
55.05521	6.3
56.96551	1.9
57.03434	1.4
64.17469	0.7
65.03928	2.3
66.61214	0.8
67.05499	5.6
69.43454	7.6
71.68378	0.7
72.61137	0.8
74.02430	1.0
77.03922	1.1
79.05489	13.2
91.05479	78.3
92.05801	3.9
93.07034	5.0
95.04975	4.5
103.05473	7.4
104.06254	1.4
105.03378	1.7
105.07027	100.0
106.06564	3.8
106.07356	3.9
107.06094	1.0
107.11095	0.7
115.05421	6.4
116.06216	1.0
116.16109	0.9
117.07018	5.2
118.07806	4.5
118.56202	0.9
123.08028	0.9
127.56738	1.4
131.08565	9.0
133.02834	2.3
133.06491	8.4
133.07614	3.6
133.10124	54.3
134.05998	4.1
134.07097	3.0
134.09610	1.4
134.10503	2.2
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	2.8
55.05511	3.2
56.96557	1.4
59.08580	0.7
59.52925	0.5
60.71703	0.8
63.88301	0.6
65.03921	1.4
67.05498	1.8
69.66390	2.2
69.66824	2.3
74.02422	0.7
77.03948	1.5
79.05494	12.7
88.02198	0.8
91.05481	38.3
92.05814	1.7
93.07050	6.5
95.04982	4.3
98.21535	0.8
103.05463	7.5
105.03377	2.3
105.07030	100.0
106.06631	1.5
106.07350	4.4
107.08588	2.4
108.32346	0.7
113.02847	0.8
115.05461	9.5
116.06226	2.4
117.07024	11.1
118.07809	11.4
119.08158	0.6
121.77385	0.7
123.08004	1.1
131.08568	15.3
133.02896	3.5
133.06490	6.4
133.07611	2.6
133.10130	90.3
134.06012	2.7
134.07074	1.7
134.09613	1.2
134.10481	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.29752	0.4
50.32058	0.4
51.75419	0.4
53.03940	0.5
55.05507	1.1
62.28646	0.4
69.90530	2.5
79.05488	4.1
91.05482	19.1
93.07059	1.0
95.04980	1.1
95.05836	0.4
101.45816	0.4
103.05475	2.1
105.07032	100.0
106.06657	0.6
106.07368	4.5
107.08626	0.5
115.05455	0.9
116.77554	0.4
117.07008	1.3
118.07822	1.2
131.08566	3.8
133.06548	0.6
133.10136	19.1
134.10493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62445	0.5
53.03933	1.7
55.05513	2.8
65.03931	1.1
67.05487	1.5
70.84908	0.5
70.91640	1.1
70.91982	0.7
74.87347	0.4
77.03903	1.0
79.05489	8.7
90.04561	0.5
91.05479	26.0
92.05767	0.8
93.07038	7.2
95.04987	2.5
95.66972	0.5
98.20795	0.6
103.05460	4.4
105.07029	69.2
106.07369	2.0
107.08601	1.4
115.05455	8.2
116.06227	1.6
117.07018	10.3
118.07811	11.2
129.07011	0.8
131.08574	11.0
133.10129	100.0
134.05981	0.6
134.09711	0.5
134.10489	5.1
141.91383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03924	0.6
53.30161	0.4
53.48770	0.4
55.05503	0.9
56.21205	0.4
57.40849	0.4
61.07508	0.4
65.03944	1.0
67.56568	0.4
69.41424	3.7
79.05488	4.6
86.62505	0.5
91.05477	19.6
92.05811	1.2
93.07041	1.2
95.04990	1.9
98.20690	0.7
103.05431	2.2
105.07028	100.0
106.07351	4.8
115.05440	1.5
117.07026	1.8
118.07788	1.7
131.08568	4.0
133.06473	1.3
133.07587	0.6
133.10130	21.3
134.06017	1.5
134.10500	1.0
135.87476	0.4
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
51.00713	0.4
53.03938	1.6
55.05512	2.3
65.03940	0.7
67.05493	0.7
69.43006	2.7
74.02146	0.3
74.34220	0.4
79.05489	7.8
91.05476	21.2
92.05798	0.5
92.06285	0.4
93.07039	5.5
95.04963	2.2
103.05457	4.8
105.07024	58.2
105.18220	0.3
106.07346	2.9
107.08584	1.5
115.05449	7.7
116.06245	1.3
117.07008	10.4
118.07808	10.6
119.08101	0.5
129.06996	0.6
131.08565	8.5
132.08900	0.7
133.10121	100.0
134.10452	6.4
137.48929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03928	2.0
55.01873	0.7
55.05513	3.4
56.96558	1.2
58.05336	0.4
65.03954	0.8
67.05505	1.2
67.27022	0.3
67.27435	0.4
70.17214	1.6
74.02435	1.6
77.03943	1.2
77.92693	0.4
79.05489	10.8
79.39914	0.4
87.05611	0.6
88.03976	0.5
88.07634	0.5
91.05483	28.7
92.05803	0.7
92.06310	0.5
93.04560	0.5
93.07047	5.9
95.04971	3.1
97.72584	0.4
103.05475	5.9
104.05772	0.4
105.03432	0.9
105.07031	78.0
106.06557	1.2
106.07365	3.0
107.06086	0.5
107.08588	1.4
112.02163	0.5
115.05456	8.2
116.06242	1.5
117.07017	9.6
118.07818	10.6
119.08140	0.4
123.07961	0.9
129.07007	0.8
131.08565	8.9
132.08875	0.3
133.02861	1.1
133.06491	5.1
133.10132	100.0
134.06015	2.8
134.07132	2.1
134.09589	0.5
134.10475	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02385	0.5
53.03942	1.7
55.01868	0.8
55.05514	3.5
56.96571	0.7
63.54225	0.4
65.03933	1.1
66.71686	0.5
67.05499	1.3
68.33973	0.5
69.25888	1.8
69.26311	3.2
78.04701	0.4
79.05054	0.8
79.05491	12.5
80.05847	0.5
87.49120	0.6
88.35259	0.4
91.05478	34.1
92.05805	1.1
93.07037	7.9
95.04965	3.5
99.36616	0.4
103.05466	6.3
105.03436	0.8
105.07027	92.4
106.06697	0.7
106.07340	3.3
107.08557	1.0
115.05449	10.3
116.06245	1.6
117.07011	11.6
118.07816	9.7
129.06993	0.9
131.08560	11.0
133.06516	4.7
133.10124	100.0
134.06015	0.9
134.07085	0.8
134.10466	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07344	0.5
50.47808	0.5
53.03945	0.8
55.05512	1.2
65.60914	0.5
66.29063	0.5
69.71767	3.0
74.13609	0.5
79.05491	5.7
88.02203	0.6
91.05482	21.1
92.05833	0.9
93.07030	1.6
95.04961	1.5
103.05431	2.9
105.07027	100.0
106.06620	1.1
106.07362	3.5
115.05468	2.0
117.07013	1.7
118.07810	1.4
131.08540	3.7
133.06479	2.8
133.07579	1.6
133.10124	22.3
134.06024	2.1
134.10449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.01575	0.4
51.02383	0.4
53.03938	2.3
55.01868	1.2
55.05303	0.3
55.05519	4.3
56.05043	0.5
56.96571	2.1
57.03433	0.7
58.05336	1.5
61.01134	0.3
65.03932	1.2
67.05499	1.3
69.63918	2.5
70.06591	0.6
74.02438	2.5
74.06075	0.9
75.05605	0.9
77.03928	1.7
78.04704	0.7
79.05497	13.8
80.05027	0.8
81.03438	0.5
81.04514	0.6
82.05328	0.5
85.01099	0.4
85.04037	1.0
85.12585	0.4
86.06093	0.3
87.05573	1.3
88.02234	0.4
88.04017	0.7
88.07637	0.6
91.05485	34.8
92.05802	1.3
92.06309	0.4
93.04514	0.8
93.07047	7.2
95.04966	4.9
98.21473	0.6
102.04724	0.4
103.05476	7.2
105.03412	2.0
105.04526	1.2
105.07031	100.0
106.06558	2.1
106.07365	4.4
107.04971	0.7
107.06056	1.3
107.08595	1.3
112.02196	1.4
113.02943	0.5
115.05463	8.7
116.06219	1.3
116.07024	0.4
117.05733	0.4
117.07022	9.5
118.07806	9.0
119.08138	0.3
121.14361	0.4
123.07949	2.5
129.07027	0.8
131.07596	0.6
131.08574	10.5
132.03145	0.4
133.02826	1.8
133.06487	10.1
133.10133	83.6
134.03645	0.4
134.06010	3.4
134.07111	3.5
134.09607	0.5
134.10460	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03934	0.6
55.05513	0.5
56.96558	0.5
62.04630	0.4
65.03945	0.7
65.32272	0.3
66.02242	0.4
74.38852	0.4
79.05497	4.9
91.05481	19.1
92.05814	0.6
93.07031	0.8
94.98110	0.3
95.04967	1.5
103.05461	3.7
105.07031	100.0
106.06664	0.6
106.07367	4.3
115.05449	1.0
116.06188	0.4
117.07024	1.2
118.07815	0.7
131.08556	3.6
133.06517	1.3
133.10130	16.2
134.10472	0.6
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
50.01588	0.4
51.02365	0.8
53.03944	3.4
55.01871	6.0
55.05494	1.0
56.05027	1.0
56.96555	2.5
57.03416	0.5
57.04546	1.0
58.05352	3.4
59.06110	0.6
60.95841	0.9
65.03922	1.2
67.05489	1.0
69.03405	0.6
70.06585	0.7
70.12866	2.0
71.06113	0.5
72.04523	0.5
74.02435	3.3
74.06107	0.9
75.05585	1.8
77.03925	2.5
79.05492	23.9
80.04997	1.0
81.04482	0.4
82.05305	0.5
85.04029	2.0
86.06063	0.5
87.05581	1.9
87.10041	0.7
88.02218	0.5
88.03981	0.8
88.07623	0.9
91.05487	10.1
92.07149	0.5
93.04541	0.5
93.07043	1.3
95.04968	8.5
98.20866	0.5
103.05468	15.8
105.03403	2.9
105.04523	1.5
105.07027	100.0
106.06557	2.0
106.07354	3.3
107.06062	0.9
111.04411	0.5
112.02181	1.8
115.05482	5.0
116.07093	1.0
117.07019	1.6
118.04172	0.9
118.05280	0.5
118.07791	1.5
123.07959	1.8
131.04927	1.0
131.08578	1.9
133.02882	2.5
133.06497	47.9
133.07567	2.8
133.10144	11.1
134.05992	2.0
134.07030	3.7
134.09625	0.6
144.04721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	1.7
53.03934	2.8
55.01862	3.0
55.05497	2.3
56.96553	3.5
57.03437	0.9
58.05354	3.5
65.03930	0.9
66.04710	2.3
67.05498	1.7
70.06586	1.0
70.25028	3.3
73.02922	0.9
74.02431	3.5
74.06040	0.8
75.05589	1.1
77.03916	2.2
79.05057	1.1
79.05493	18.8
81.04533	0.9
85.04031	2.0
87.05580	1.5
88.04001	1.2
90.04695	2.6
91.04976	1.2
91.05489	16.2
91.07423	0.7
93.07038	1.1
95.04980	6.2
103.05470	12.9
105.03394	3.4
105.07031	100.0
106.06577	2.4
106.07363	3.8
107.04958	1.4
107.06094	1.1
112.02204	2.2
115.05461	6.0
115.12856	0.9
117.07031	2.2
118.04182	11.7
118.07853	1.2
123.07943	1.8
131.04924	1.4
131.08571	3.6
133.02879	4.8
133.06499	72.9
133.10124	16.6
134.06006	4.1
134.07050	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03951	2.1
53.79171	0.4
55.01868	2.2
55.05507	2.9
56.05024	0.5
56.96549	1.3
58.05341	2.7
63.21497	0.4
63.59510	0.4
65.03930	1.2
66.04728	1.6
67.05494	1.1
69.44005	2.3
69.44430	1.6
70.82532	0.4
74.06075	0.6
75.05599	1.8
77.03928	0.7
79.05487	17.2
80.05025	0.5
80.05820	0.5
81.04530	0.6
85.04018	1.7
86.04787	0.5
87.05612	0.8
89.03909	1.0
90.04691	1.4
91.05483	22.0
92.05780	0.8
93.07046	3.2
95.04969	4.9
103.05459	12.1
104.05785	0.4
105.03392	1.2
105.07027	100.0
106.06547	1.6
106.07361	3.2
107.04939	1.0
107.06049	1.0
107.08601	0.5
109.06517	0.6
112.02172	0.5
115.05457	6.5
116.06290	1.0
117.07016	3.5
118.04179	7.8
118.07796	4.9
123.07964	1.1
129.06966	0.5
131.04907	1.0
131.08557	5.2
132.05690	0.6
133.02863	1.2
133.06491	51.5
133.07494	1.9
133.10127	43.4
134.05994	3.1
134.06989	2.4
134.10506	1.4
144.04898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.00296	0.8
53.03942	2.5
55.01865	3.2
55.05501	2.1
56.96572	1.2
58.05348	4.0
59.06115	0.8
65.03870	1.1
66.04711	1.5
69.97640	0.8
70.06577	0.9
71.57921	0.9
71.58237	1.0
72.37522	0.7
74.02420	1.0
74.06068	1.1
75.05592	2.6
77.27660	0.7
79.05493	17.6
85.04030	1.8
87.05599	1.4
90.04704	2.5
91.05482	13.0
93.07042	1.9
95.04958	5.6
103.05467	13.0
105.03387	1.9
105.07029	100.0
106.06583	1.2
106.07334	1.7
107.06042	1.0
115.05457	5.4
117.07007	2.9
118.04163	13.4
118.07780	3.5
118.80713	0.7
128.52719	0.9
131.04971	1.7
131.08575	3.5
133.02858	2.5
133.06491	68.3
133.10133	21.9
134.05975	1.4
134.06953	3.1
137.12212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40036	0.9
53.03933	2.0
55.01854	4.1
55.68653	0.9
56.96556	1.1
58.05338	3.1
64.30634	0.9
66.04709	1.9
70.20538	3.9
75.05595	1.6
77.03922	1.7
79.05059	1.4
79.05494	20.3
85.04008	1.1
87.05558	1.3
89.03931	1.1
90.04701	3.9
91.05489	6.0
92.59982	0.9
95.04970	6.2
103.05473	14.9
104.69510	1.0
105.07029	100.0
106.07360	3.7
107.04969	2.1
115.05482	5.3
117.07014	1.8
118.04157	13.6
131.04932	1.4
133.02840	1.6
133.06491	84.2
133.10156	6.3
134.05936	1.3
134.06908	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
50.05819	0.4
53.03944	0.9
56.05032	1.4
56.96556	1.8
57.03439	2.0
58.06601	2.4
58.99581	2.9
59.04993	0.7
60.04523	1.1
60.08143	0.5
60.95847	1.8
61.01151	13.6
61.02925	0.7
69.03428	1.2
69.05373	0.7
70.02955	5.1
70.06598	5.0
70.07378	1.0
70.77921	1.4
71.04993	1.4
72.08176	1.0
73.02919	0.9
74.02441	100.0
74.06081	4.6
74.65630	0.4
74.99042	0.8
75.02743	1.7
75.05608	1.9
76.07640	0.9
77.00624	1.1
81.03456	0.4
85.01131	1.7
85.02895	2.2
85.04829	0.8
86.06100	0.6
86.09695	2.6
87.02693	17.1
87.05595	28.2
87.06431	1.7
87.09472	0.9
87.10033	7.9
88.03992	13.8
88.07627	3.4
90.09213	0.5
91.02219	0.6
91.05508	0.7
98.02427	0.9
98.06055	0.8
99.00812	0.9
100.02481	0.9
102.02403	0.8
102.09164	1.3
102.96901	0.7
105.00097	2.0
105.03747	0.5
105.07056	1.2
112.02227	0.6
116.03451	7.8
116.07137	1.2
116.10735	0.5
117.03866	0.6
118.03506	0.7
119.01931	1.6
121.01504	0.6
123.07964	0.9
131.01892	0.6
133.03203	3.4
133.06081	2.8
133.09773	1.2
134.08122	0.7
134.11780	3.7
142.03520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	THTC
Peak:m/z	Relative Intensity
53.03947	5.3
55.01859	1.6
56.05023	2.1
56.96556	2.9
57.03437	6.4
58.06593	1.5
58.32645	0.7
58.99587	14.0
59.05001	1.1
59.96740	3.8
59.96999	0.7
60.95841	2.1
61.01152	78.2
61.26758	0.8
68.74805	0.8
69.03429	1.6
70.02951	2.9
70.06587	4.1
70.99555	0.8
71.04992	0.9
71.58577	1.7
72.00358	2.4
73.02911	2.8
74.02443	66.6
74.06081	5.5
74.99070	4.4
75.02720	4.3
75.05600	1.3
75.79735	0.8
76.07673	1.1
77.00624	6.2
79.05484	1.8
85.01132	8.8
85.02904	11.9
85.37072	0.8
86.06072	1.5
86.99037	0.8
87.02694	100.0
87.05593	15.2
87.10029	3.3
88.03069	1.9
88.03990	16.0
88.07635	2.3
91.02177	3.1
91.05468	1.7
95.05002	0.9
97.02904	0.9
98.06087	0.9
105.00095	9.2
105.03763	3.8
105.07027	9.0
115.02188	0.7
115.08717	1.0
116.03466	4.5
116.07114	1.6
118.03551	1.0
119.01900	2.8
119.42853	0.7
133.03192	21.8
133.06490	1.5
133.10072	2.3
134.11832	1.2
142.03580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.44633	0.8
69.07066	1.7
71.17727	2.4
86.09702	100.0
87.10013	2.2
132.10158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01868	2.0
56.05033	3.0
56.96563	2.4
57.03436	8.9
58.06588	1.4
58.99591	13.0
59.04986	1.6
59.87121	0.7
59.96732	2.3
60.04507	1.0
60.95853	3.0
61.01153	79.9
69.03403	1.7
70.02957	2.7
70.06578	4.1
70.99582	1.2
71.06110	0.8
71.59111	1.1
72.00349	2.5
73.02910	3.5
74.02444	73.7
74.06081	5.4
74.99065	4.8
75.02711	5.4
75.05604	1.4
77.00617	5.5
79.05490	2.0
85.01132	11.2
85.02902	11.4
86.06082	0.9
87.02695	100.0
87.04459	1.8
87.05600	15.4
87.10037	4.1
88.02205	1.0
88.03055	1.5
88.03989	14.0
88.07630	2.5
88.21443	0.8
89.04272	1.0
91.02181	3.4
91.05488	4.7
92.04949	0.8
102.02394	1.0
105.00095	9.5
105.03706	3.3
105.04456	1.1
105.07036	11.6
115.05488	1.1
116.03468	4.7
117.07059	0.9
118.07851	0.8
119.01937	2.4
120.97926	0.8
130.02005	0.8
133.03203	19.8
133.06398	2.7
133.10175	4.6
134.06053	1.4
134.11794	1.8
137.02979	0.8
138.98965	0.8
142.03549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.2
59.07369	1.0
59.82899	0.5
61.01142	1.2
62.15284	0.5
65.83506	0.5
68.05023	1.2
69.06715	0.9
69.07067	10.8
70.99775	1.0
71.00099	0.6
72.15673	0.5
74.02448	3.9
79.33994	0.5
84.04507	1.6
86.04929	0.7
86.06072	1.7
86.09705	100.0
87.02701	2.0
87.04478	0.8
87.05614	1.2
87.09563	0.7
87.10023	3.9
116.03460	0.5
117.99478	0.5
132.10188	1.8
133.03212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03935	2.7
53.23660	0.6
55.01870	1.4
56.05035	3.1
56.96564	26.3
57.03434	6.8
58.02957	0.8
58.06594	2.7
59.06125	1.2
60.02136	0.5
60.04517	0.6
61.02934	2.7
62.48165	0.5
65.03952	1.2
68.05035	1.3
68.95267	1.2
69.03432	4.6
69.07069	0.6
70.03768	2.6
70.06594	1.3
71.04978	1.2
71.06097	0.7
71.93002	1.2
72.04502	1.5
72.08163	2.7
72.08483	0.4
72.93787	1.8
73.02914	4.4
74.06055	0.5
74.97609	0.7
77.00782	1.5
77.34623	0.5
79.15363	0.5
80.08497	0.4
81.03430	1.5
83.00780	2.1
83.06110	0.7
84.01575	0.8
84.04488	2.8
84.08144	0.6
84.96062	0.5
85.02914	4.0
85.04826	4.3
85.08479	1.7
86.01301	0.8
86.06067	3.3
86.09700	10.8
87.05589	1.9
88.07626	0.6
89.00782	1.1
89.07182	0.6
90.01563	2.4
90.90375	0.9
90.94832	0.6
91.05480	100.0
92.01296	2.5
92.05822	3.8
93.03743	1.3
95.04958	2.7
96.01554	1.2
97.02881	1.8
98.01292	1.4
98.04810	1.0
98.97592	5.9
99.02065	1.3
99.04491	0.6
101.00741	0.8
101.07111	0.7
102.04676	1.0
103.05470	40.0
104.01264	1.7
104.05007	0.9
104.05804	3.1
105.02071	0.9
105.07048	0.8
107.01806	0.9
108.95810	0.5
109.02892	0.9
110.01277	2.2
113.07181	1.2
113.07933	8.5
114.05550	1.3
114.09166	0.6
115.05463	8.7
116.06243	27.3
116.98621	6.9
117.06551	1.2
117.88301	0.5
119.01794	3.2
125.96105	1.8
126.51055	0.6
127.03851	0.5
128.02315	1.4
128.06218	1.7
128.98593	1.7
129.07005	15.5
130.07368	0.7
131.04927	6.6
131.06883	5.5
131.08563	84.9
131.16316	0.6
132.04486	2.6
132.05588	0.9
132.06561	5.5
132.08040	1.1
132.08893	5.7
133.06488	1.5
134.01224	0.5
134.99663	7.8
137.02824	0.7
146.99599	3.3
148.97662	0.6
149.01233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
56.96563	9.7
57.03423	4.6
58.06581	1.1
65.03928	2.2
68.95299	1.0
69.03420	2.6
70.85365	2.2
77.00809	1.2
77.56921	1.0
83.00767	1.2
85.02900	1.8
85.04842	1.8
85.08471	1.3
86.06050	1.4
86.09691	3.8
90.01559	1.3
90.51630	0.9
91.05483	100.0
92.01321	1.3
92.05802	4.5
95.04953	2.6
98.97610	2.4
103.05463	18.9
104.05836	1.5
110.54720	1.1
113.07935	3.7
115.05452	8.6
116.06242	30.2
116.98577	1.8
117.06534	1.5
119.01775	1.5
128.06245	1.5
129.07010	17.1
130.07347	1.3
130.73613	1.0
131.04910	4.4
131.06955	2.2
131.08565	91.8
132.06569	2.7
132.08908	6.2
133.06429	1.7
134.99664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
56.96562	6.0
57.03433	2.0
65.03971	1.0
70.16082	4.4
85.04818	2.0
86.02756	1.0
86.09677	1.8
91.05479	100.0
92.05815	4.2
95.04972	1.1
98.97542	2.3
103.05473	14.5
104.05791	1.2
105.07047	1.4
105.93291	0.9
113.07933	1.8
115.05453	9.1
116.06239	34.8
116.98612	1.6
117.06554	1.6
128.06232	3.0
129.07014	16.1
131.04916	2.4
131.06876	5.1
131.08563	98.4
132.06538	1.7
132.08911	6.0
133.06493	2.0
148.08736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46376	0.8
52.14652	0.9
56.05025	2.4
56.96554	3.9
57.03431	7.0
58.06582	1.7
61.02919	0.9
65.03941	1.7
68.05018	1.3
68.95273	1.8
69.03436	1.7
70.03765	1.6
71.59296	1.2
72.08144	0.8
84.04496	2.8
85.04840	1.9
86.06042	1.8
86.09695	3.8
91.05479	100.0
92.05817	4.8
102.72496	0.9
103.05469	9.7
113.07935	5.2
115.05424	6.6
116.06239	23.0
116.98598	1.5
117.06564	1.7
126.07899	1.0
128.06226	2.3
129.06999	13.8
131.05002	1.3
131.06023	1.9
131.06963	2.5
131.08563	74.5
132.04457	1.6
132.06535	5.0
132.08080	2.0
132.08917	4.8
133.06532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
56.05035	0.8
57.03432	1.0
65.03938	1.1
69.36510	2.0
69.36939	3.9
78.80315	0.5
82.28573	0.5
91.05480	100.0
92.05810	3.1
98.21566	1.1
103.05466	7.2
105.07069	1.3
107.76374	0.6
113.07938	1.2
115.05447	8.5
116.06248	26.9
117.06563	0.6
128.06227	1.9
129.07004	17.5
130.07330	1.0
131.08568	88.9
132.08917	3.9
133.06482	1.7
143.06151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22739	0.5
53.03948	1.5
54.09813	0.5
56.05043	1.2
56.96568	7.0
57.03433	5.7
58.02971	1.1
58.06601	0.7
59.06116	0.5
61.02934	0.9
65.03944	1.5
68.05035	0.7
68.95263	0.6
69.03434	1.7
69.07108	0.5
69.47314	2.6
69.47739	1.5
70.03764	1.7
72.04519	0.7
73.02924	1.5
77.00787	0.8
84.04519	1.5
84.08206	0.6
85.02908	1.1
85.04838	1.3
85.08467	0.8
86.06073	0.9
86.09706	3.1
89.00736	0.6
90.01568	0.6
90.44930	0.5
91.05481	100.0
92.01311	0.9
92.05811	4.2
93.03714	0.7
95.04984	2.4
96.01533	0.6
97.02906	0.7
98.01279	1.1
98.97589	1.4
103.05470	18.9
104.05787	1.6
105.04530	0.5
105.07047	1.6
113.07937	6.4
114.05534	0.7
115.05459	9.3
115.06236	0.6
116.06246	28.0
116.98631	2.0
117.06486	0.8
119.01764	1.0
128.06238	1.6
129.07004	16.9
130.07397	1.1
130.52606	0.6
131.04927	5.5
131.06917	4.9
131.08566	88.7
132.04466	1.0
132.06581	4.3
132.08067	1.3
132.08910	5.6
133.06493	1.6
134.99673	2.5
146.99675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
56.05032	1.5
56.96569	5.3
57.03431	5.1
58.02930	1.1
58.06599	0.9
59.06125	0.8
67.92649	0.8
69.03413	2.1
69.07076	0.9
70.03748	2.4
70.07362	0.9
71.14913	1.6
72.04515	1.1
84.04489	2.1
85.02885	1.0
85.08473	1.4
86.06028	1.4
86.09687	2.2
91.05476	100.0
92.05811	4.3
95.04946	1.6
98.97569	2.2
103.05453	10.0
104.05827	1.3
104.07829	0.8
105.07018	1.3
113.07933	7.2
115.05455	9.2
116.06247	25.0
116.48196	0.8
116.98597	1.2
117.06529	1.0
119.28175	0.8
123.39548	0.8
124.75009	0.8
128.06224	2.1
129.07001	16.6
130.07451	0.9
131.04924	9.9
131.06906	2.9
131.08559	80.0
132.04494	1.1
132.05684	0.7
132.06554	4.1
132.08057	1.2
132.08911	4.8
133.06409	0.8
134.99660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03944	2.1
53.31119	0.5
56.05042	3.7
56.96568	7.3
57.03435	5.7
58.02964	1.2
58.06604	1.7
59.06133	1.3
60.04535	0.7
61.02927	1.0
65.03941	1.4
66.08653	0.6
68.05042	1.2
68.95296	0.6
69.03435	3.1
69.12257	0.5
70.03767	2.1
70.06598	1.4
71.60443	0.8
71.92998	1.1
72.04517	1.6
72.08183	1.3
73.02927	1.0
83.00801	0.6
84.02182	0.6
84.04489	1.8
85.02901	0.9
85.04836	1.7
85.08469	1.7
86.06061	3.1
86.09710	1.8
87.05607	1.9
90.01566	0.9
91.05481	100.0
92.01306	0.7
92.05814	4.5
93.03733	0.6
95.04951	3.0
96.04498	0.8
98.01294	0.8
98.97591	1.9
103.05466	35.0
104.05028	0.7
104.05799	1.8
105.04545	0.6
105.07034	1.2
110.01369	0.7
113.07175	1.6
113.07951	7.8
114.05524	1.1
114.07463	0.6
115.05460	9.4
116.06242	29.1
116.98624	2.2
117.05801	0.8
117.06544	1.2
119.01819	1.0
125.96145	0.8
128.06233	2.4
129.07010	17.2
130.07419	0.7
131.04945	5.8
131.07065	6.6
131.08563	66.9
132.04448	2.5
132.05655	0.8
132.06567	5.5
132.08049	1.8
132.08907	4.5
133.06512	1.2
134.99648	1.7
146.99641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42794	1.0
53.03933	2.0
55.01862	1.0
56.05024	1.5
56.96558	4.4
57.03441	7.2
60.32616	0.9
65.03941	1.8
69.03426	2.4
70.03758	2.0
71.60493	1.3
73.02950	0.9
84.04495	2.5
85.04832	3.8
86.06087	0.8
86.09701	4.1
90.01616	0.9
90.42992	0.9
91.05479	100.0
92.05788	4.3
95.04958	2.8
103.05469	25.2
104.05761	1.4
105.07010	1.6
109.06488	0.9
113.07938	3.4
115.05466	8.2
116.06252	27.1
116.98621	2.0
117.06529	1.4
128.06197	2.1
129.07007	15.8
130.07338	1.3
131.04932	3.2
131.06953	2.1
131.08566	82.8
132.04439	1.8
132.06546	5.3
132.08061	2.7
132.08908	5.1
134.99733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
56.05045	1.0
56.96571	0.8
57.03435	4.1
58.06607	0.6
61.76717	0.5
65.03934	1.5
68.05016	0.8
68.95260	0.6
69.03432	0.8
71.60297	0.6
71.60739	0.7
84.04509	1.3
85.04831	0.8
86.09692	1.5
91.05477	100.0
92.05816	5.6
95.04938	0.7
103.05463	5.8
105.07012	0.7
109.06496	0.9
113.07938	2.8
115.05458	6.8
116.06243	23.8
117.05791	0.9
117.06599	1.7
128.06209	0.8
129.07005	14.9
130.07347	1.0
131.04948	1.6
131.08560	80.6
132.04492	0.7
132.06567	2.9
132.08046	1.7
132.08910	6.0
133.06505	1.4
135.75371	0.6
141.44781	0.6
144.35718	0.6
148.64923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
56.05056	2.0
56.96564	43.4
57.03435	7.1
58.02957	1.1
58.06610	1.0
60.04561	0.7
61.02924	2.6
62.53890	0.8
65.03957	0.9
67.16850	0.7
68.95299	1.6
69.03442	3.7
69.07063	1.0
69.52995	5.4
70.03769	1.5
71.95268	1.0
72.04486	0.7
73.02908	2.1
74.97614	1.8
77.00790	2.4
82.75315	0.8
83.00780	2.0
84.04502	2.3
85.02890	1.4
85.04850	2.8
85.08474	2.0
86.06060	1.7
86.09698	4.2
90.01551	1.3
91.05479	100.0
91.74239	0.7
92.01317	1.2
92.05804	2.9
95.04974	3.2
97.02885	1.2
98.01317	1.5
98.97578	4.7
102.04697	0.9
103.05467	38.9
104.05775	1.9
105.04522	0.9
105.07049	1.2
110.01267	1.1
113.07933	6.8
115.05458	9.4
116.06241	31.3
116.98647	5.8
117.06547	1.5
117.52452	0.7
119.01828	2.5
128.02344	2.2
128.06209	2.5
128.98587	0.8
129.07008	16.7
129.96143	0.7
131.00169	1.1
131.04926	7.3
131.06882	5.9
131.08559	90.4
132.04482	1.2
132.05675	0.8
132.06572	4.5
132.08089	0.7
132.08920	4.9
133.06494	1.9
134.99655	5.2
143.05956	1.3
146.99675	1.2
149.01221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
56.05031	1.5
56.96563	3.0
57.03432	2.9
58.02945	0.8
58.06589	0.7
59.06122	1.0
60.04514	0.5
61.02934	0.4
64.43539	0.3
65.03934	0.9
67.05533	0.3
68.95274	0.8
69.03426	1.4
70.03761	1.7
70.06596	0.6
71.92984	0.6
72.04497	0.8
72.08154	0.8
83.06110	0.4
84.04518	1.3
85.04825	0.6
85.08466	1.3
86.06053	1.6
86.09727	2.0
87.05587	1.0
91.05475	100.0
92.05804	3.2
93.03710	0.7
95.04944	3.0
98.04727	0.4
102.04707	0.5
103.05460	29.7
104.05086	0.7
104.05803	2.5
105.04516	0.6
105.07024	0.8
106.97829	0.4
109.06441	0.4
113.07202	0.4
113.07933	4.6
114.05495	0.4
115.05452	9.4
116.06232	27.6
116.98608	0.7
117.05775	0.7
117.06587	1.3
125.96129	0.7
128.06169	1.8
129.07007	13.8
130.07338	1.0
131.04933	5.3
131.06882	5.1
131.08556	68.1
132.04436	1.6
132.05653	0.7
132.06548	3.0
132.08069	0.8
132.08920	4.3
133.06490	0.9
134.99596	0.7
143.06029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03935	2.7
53.23660	0.6
55.01870	1.4
56.05035	3.1
56.96564	26.3
57.03434	6.8
58.02957	0.8
58.06594	2.7
59.06125	1.2
60.02136	0.5
60.04517	0.6
61.02934	2.7
62.48165	0.5
65.03952	1.2
68.05035	1.3
68.95267	1.2
69.03432	4.6
69.07069	0.6
70.03768	2.6
70.06594	1.3
71.04978	1.2
71.06097	0.7
71.93002	1.2
72.04502	1.5
72.08163	2.7
72.08483	0.4
72.93787	1.8
73.02914	4.4
74.06055	0.5
74.97609	0.7
77.00782	1.5
77.34623	0.5
79.15363	0.5
80.08497	0.4
81.03430	1.5
83.00780	2.1
83.06110	0.7
84.01575	0.8
84.04488	2.8
84.08144	0.6
84.96062	0.5
85.02914	4.0
85.04826	4.3
85.08479	1.7
86.01301	0.8
86.06067	3.3
86.09700	10.8
87.05589	1.9
88.07626	0.6
89.00782	1.1
89.07182	0.6
90.01563	2.4
90.90375	0.9
90.94832	0.6
91.05480	100.0
92.01296	2.5
92.05822	3.8
93.03743	1.3
95.04958	2.7
96.01554	1.2
97.02881	1.8
98.01292	1.4
98.04810	1.0
98.97592	5.9
99.02065	1.3
99.04491	0.6
101.00741	0.8
101.07111	0.7
102.04676	1.0
103.05470	40.0
104.01264	1.7
104.05007	0.9
104.05804	3.1
105.02071	0.9
105.07048	0.8
107.01806	0.9
108.95810	0.5
109.02892	0.9
110.01277	2.2
113.07181	1.2
113.07933	8.5
114.05550	1.3
114.09166	0.6
115.05463	8.7
116.06243	27.3
116.98621	6.9
117.06551	1.2
117.88301	0.5
119.01794	3.2
125.96105	1.8
126.51055	0.6
127.03851	0.5
128.02315	1.4
128.06218	1.7
128.98593	1.7
129.07005	15.5
130.07368	0.7
131.04927	6.6
131.06883	5.5
131.08563	84.9
131.16316	0.6
132.04486	2.6
132.05588	0.9
132.06561	5.5
132.08040	1.1
132.08893	5.7
133.06488	1.5
134.01224	0.5
134.99663	7.8
137.02824	0.7
146.99599	3.3
148.97662	0.6
149.01233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03947	2.7
55.01869	0.4
55.17888	0.3
56.05030	1.1
56.96567	9.0
57.03437	2.8
58.02951	0.4
58.06596	0.6
59.06120	0.4
60.04528	0.3
61.02921	1.2
67.00309	0.2
68.95296	0.5
69.03427	2.1
69.07039	0.3
70.03404	1.4
70.03727	1.3
71.06927	0.3
72.04517	0.7
72.08161	0.4
72.93783	0.2
73.02914	1.6
74.97591	0.5
75.04479	0.3
77.00808	0.7
77.03933	0.5
81.03414	1.1
83.00777	0.7
84.04505	1.4
84.96033	0.3
85.02902	1.5
85.04839	1.9
85.08469	0.9
86.06079	0.7
86.09708	1.8
87.05605	0.5
89.00777	0.5
89.07159	0.3
90.01556	1.0
91.02336	0.3
91.05482	12.7
92.01305	0.9
92.05849	0.4
93.03751	0.4
95.04969	7.2
96.01537	0.6
97.00493	0.3
97.02896	0.8
98.01296	1.1
98.97581	2.3
99.02078	0.4
102.04683	1.0
103.05468	100.0
104.01287	0.8
104.05080	0.4
104.05799	3.8
105.02010	0.4
105.04496	1.4
107.01831	0.3
109.02872	0.4
110.01302	0.6
113.07182	0.7
113.07925	3.6
115.05457	0.7
116.06246	2.9
116.98613	2.8
119.01786	1.4
128.02313	0.8
128.98608	0.6
129.07016	1.9
131.04930	12.6
131.06931	4.0
131.08540	10.6
131.11763	0.3
132.04430	0.6
132.05324	0.5
132.06528	1.4
132.08052	0.5
134.99669	3.1
139.28465	0.3
146.99701	1.2
148.42310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03296	0.2
51.02371	0.3
53.03727	0.3
53.03947	2.6
55.01858	0.4
56.05028	0.4
56.96565	4.3
57.03433	1.6
57.05792	0.2
61.02930	0.4
68.05025	0.2
68.95284	0.3
69.03416	1.0
69.54510	1.5
70.03761	0.6
71.95252	0.2
73.02916	0.8
77.00790	0.5
77.03922	0.7
81.03413	0.4
83.00785	0.6
84.04504	0.5
84.96069	0.2
85.02901	0.6
85.04264	0.2
85.04803	0.9
85.08469	0.4
86.06052	0.4
86.09694	0.5
90.01602	0.4
91.05477	5.9
92.01283	0.5
95.00816	0.2
95.04965	7.3
97.02905	0.3
97.99166	0.2
98.01286	0.4
98.97591	1.5
99.02060	0.2
102.04687	1.6
102.16360	0.2
103.05463	100.0
104.05790	4.7
105.04492	1.3
110.01314	0.3
113.07947	1.8
114.05477	0.2
115.05470	0.6
116.06217	1.5
116.98618	1.4
119.01809	0.5
128.02220	0.2
128.98590	0.3
129.07010	0.8
130.06517	0.3
130.52483	0.2
131.04924	10.5
131.06914	1.2
131.08534	4.1
132.04399	0.3
132.05254	0.5
132.06561	0.9
132.08073	0.5
132.08958	0.2
134.99657	1.3
146.99692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	1723-00-8
Peak:m/z	Relative Intensity
50.49026	0.8
54.03451	0.8
55.01869	1.6
55.03001	5.3
55.05515	7.6
56.01395	2.1
56.05033	9.5
56.96567	9.1
57.03430	2.1
57.05354	1.1
57.05803	0.9
57.07072	2.1
58.02945	2.8
58.05337	1.5
58.06590	3.5
59.06124	9.2
60.04518	2.4
67.02975	1.6
67.05492	2.7
68.05014	2.4
69.03432	43.2
69.07072	10.0
70.02950	1.9
70.03765	1.4
70.06590	12.7
71.04980	2.3
71.06925	1.2
71.07982	1.1
71.08308	1.3
71.93002	5.8
72.04508	4.0
72.08157	39.8
72.93771	2.0
73.02916	1.2
73.04036	2.3
74.06084	2.8
75.05595	1.2
81.03398	1.2
81.04549	0.9
82.06578	4.0
83.02476	2.0
83.06093	3.3
84.04505	12.1
84.05639	1.2
84.08144	31.2
85.04032	3.3
85.04813	1.0
85.07674	9.3
85.08468	1.3
86.06062	3.8
87.05579	1.1
87.09225	4.1
88.07646	4.1
88.51701	1.2
88.95314	1.1
89.01759	1.4
89.90715	0.8
89.94051	1.2
90.04286	4.1
90.94826	1.3
91.05468	3.6
93.03706	1.2
94.04078	0.9
94.06515	1.4
94.59436	0.8
95.01969	0.9
95.04901	1.5
95.06088	2.0
96.04472	0.8
98.04797	1.5
98.97567	0.8
100.02466	3.1
101.05747	0.8
103.05543	4.1
107.95110	1.3
112.05111	4.7
112.07607	100.0
113.03436	1.1
113.05914	2.0
113.07126	7.5
113.07933	4.3
113.10760	3.1
114.09172	1.0
117.57632	0.8
118.03527	3.7
119.01973	0.9
119.52280	1.0
121.01666	1.9
125.96096	6.0
130.02121	1.2
130.05080	1.3
130.06561	20.6
130.08635	19.7
130.09738	3.8
130.12302	1.2
130.13297	1.1
130.15892	1.7
131.06897	1.2
131.08211	2.5
131.11819	1.0
133.98056	2.4
139.02692	1.2
139.54530	0.8
142.98586	1.1
145.48866	0.9
148.97765	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02375	0.4
53.03954	1.1
53.34108	0.3
55.05510	0.5
56.05040	1.7
56.77700	0.2
56.96568	5.0
57.03427	0.7
58.06594	0.2
59.06119	0.8
61.02910	0.8
67.27177	0.2
69.03432	7.5
69.07066	1.3
70.06593	1.0
71.04992	0.5
71.05688	0.6
71.92992	0.2
72.04518	0.3
72.08160	3.1
73.02910	0.9
77.00773	0.5
81.03403	0.4
82.06595	0.4
83.00778	0.5
84.04506	9.3
84.07686	0.4
84.08147	5.1
85.02923	1.2
85.04834	0.5
85.07661	0.4
86.06107	0.3
88.07596	0.3
90.01555	0.3
90.04298	0.4
92.01299	0.7
94.06572	0.3
95.04981	2.4
97.02914	0.4
98.01287	0.8
98.97594	2.1
102.04685	0.4
103.05470	12.2
104.05804	0.4
105.02119	0.3
105.04470	0.3
107.01817	0.3
107.95091	0.2
108.28787	0.2
110.01285	0.8
110.97599	0.2
112.07608	17.8
113.07150	0.5
113.07934	0.6
116.98614	1.8
119.01791	0.7
128.02345	0.5
128.04974	2.0
128.98572	0.4
130.06531	100.0
131.05994	0.4
131.06857	3.8
134.99669	0.8
138.69986	0.2
146.06009	1.1
146.99655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02382	0.3
53.03946	0.9
53.50471	0.1
55.01873	0.2
55.05507	0.1
56.05031	1.0
56.96567	1.7
57.03435	0.3
57.07081	0.4
60.04536	0.1
61.02921	0.2
67.05505	0.3
68.05036	0.2
69.03432	7.5
69.07078	0.9
69.56723	0.9
70.03746	0.1
70.06599	0.8
71.05000	0.4
71.31801	0.1
72.04512	0.3
72.08179	0.3
73.02917	0.3
74.09728	0.2
77.03929	0.4
81.03433	0.2
82.06590	0.5
83.00797	0.1
84.04505	11.5
84.08143	4.5
85.02904	0.7
85.04861	0.2
85.07683	0.5
87.09224	0.1
91.05483	1.3
94.06565	0.1
95.04968	3.0
98.01300	0.3
98.97602	0.6
99.99506	0.1
102.04683	0.6
102.05538	0.1
103.05469	14.3
104.05037	0.2
104.05808	0.5
105.04543	0.4
107.01781	0.2
110.01243	0.2
110.97549	0.1
111.43511	0.1
112.07607	17.3
113.07171	0.3
113.07946	0.4
115.05457	0.3
116.06223	0.3
116.98586	0.6
119.01824	0.2
128.04967	2.2
129.06992	0.2
130.06529	100.0
130.15913	0.4
131.04922	0.5
131.06868	4.6
131.08426	1.1
134.99651	0.5
146.05978	1.4
146.06924	0.2
146.99632	0.1
148.84724	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	130.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03941	1.0
55.01875	0.2
56.05040	1.1
56.96570	1.9
57.03431	0.4
57.07065	0.5
59.06115	0.2
61.02924	0.3
62.03275	0.1
63.02396	0.1
65.93729	0.1
67.05509	0.2
68.95280	0.3
69.03431	7.1
69.07059	0.9
70.00735	0.4
70.01128	0.3
70.03792	0.1
70.06603	0.8
71.04977	0.5
72.04508	0.2
72.08173	0.4
73.02928	0.2
74.09697	0.2
77.03926	0.3
81.03403	0.2
82.06564	0.4
83.00766	0.2
84.04505	11.6
84.08139	4.1
85.02914	0.7
85.04834	0.3
85.07659	0.6
87.09227	0.2
88.20955	0.1
90.01568	0.2
91.05492	1.1
92.01296	0.2
92.23587	0.1
95.04439	0.2
95.04976	2.8
96.01472	0.2
98.01263	0.2
98.97589	0.8
99.02081	0.2
102.04685	0.5
103.05469	14.3
103.30486	0.1
104.01286	0.2
104.05779	0.3
105.04510	0.5
107.01857	0.2
109.58788	0.1
110.01255	0.3
112.07604	15.7
113.07146	0.4
113.07930	0.5
115.05484	0.4
116.06299	0.2
116.98615	0.5
119.01797	0.5
128.02325	0.3
128.04967	2.1
129.06953	0.2
130.06528	100.0
130.15923	0.2
131.04929	0.8
131.06868	4.3
131.08394	1.0
134.99641	0.5
146.06013	1.6
146.99733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.00215	0.2
51.02391	0.2
51.14156	0.2
53.00329	0.2
53.03939	1.0
54.23367	0.2
56.05034	1.0
56.96559	1.3
57.03429	0.3
57.07075	1.1
60.81363	0.2
61.02917	0.2
67.05509	0.6
68.95276	0.5
69.03426	14.8
69.07065	1.7
69.37133	0.4
69.37552	1.5
70.06596	0.7
71.04988	0.5
74.09708	0.5
77.03960	0.2
82.06568	1.0
84.04504	6.7
84.08138	7.9
85.02918	0.3
85.07652	0.3
90.01527	0.2
91.05482	2.0
92.76649	0.2
94.06533	0.3
95.04961	2.9
98.21441	0.4
98.97609	0.3
102.04664	0.6
103.05462	12.6
104.05804	0.5
105.04514	0.3
112.07600	32.6
113.07249	0.2
113.07931	1.0
116.06234	0.5
116.98610	0.2
119.01772	0.2
128.04962	1.9
129.07016	0.4
130.06520	100.0
130.15924	1.2
131.04895	0.6
131.06865	3.8
131.08482	1.4
134.99666	0.3
146.05992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02387	0.4
53.03950	1.4
55.01868	0.5
55.05510	0.8
56.05032	2.4
56.96556	1.0
57.03423	2.0
57.07071	2.4
59.06123	0.9
60.72764	0.3
67.05502	0.9
68.05028	0.5
69.03426	22.4
69.07064	2.4
70.03754	0.3
70.06588	2.7
70.96278	0.6
70.96626	0.4
71.04987	1.0
72.04523	1.5
72.08147	3.4
74.06075	6.4
74.09715	1.2
77.03919	0.5
82.06564	1.1
84.04504	10.6
84.08140	10.4
85.02895	0.6
85.07668	3.3
85.08438	0.4
86.06059	0.4
87.09225	1.1
91.05479	5.8
94.06574	0.7
95.04962	3.5
97.06374	0.3
97.20793	0.3
102.04655	0.6
103.05463	17.7
104.05769	0.4
105.04493	0.7
112.07600	45.9
113.07125	1.5
113.07948	1.5
115.05449	1.0
116.06277	1.4
128.04990	1.6
129.07024	1.8
130.06522	100.0
130.08580	9.4
130.12267	3.9
130.15907	1.0
131.04929	4.0
131.05995	0.6
131.06876	4.2
131.08514	4.7
146.05981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0699
Annotation	Naphthalene
Peak:m/z	Relative Intensity
50.82254	0.8
51.02375	0.9
56.96574	0.9
61.42604	0.8
69.03438	4.1
69.07058	1.2
71.45960	1.7
71.46314	1.1
84.04478	3.6
84.08126	2.9
95.04971	0.9
103.05481	4.8
112.07586	10.7
115.05462	1.6
127.05402	4.7
127.89988	0.7
128.06219	100.0
129.01846	3.1
129.07062	63.2
130.06517	1.7
130.07391	1.7
130.08636	2.3
145.06496	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	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41407	0.3
58.06572	0.5
59.25439	0.3
61.05302	0.3
62.72300	0.4
70.06587	0.6
71.23186	0.9
72.46400	0.4
72.79761	0.4
78.04707	1.0
82.06570	1.0
86.06062	0.6
90.10542	0.3
92.37881	0.4
93.69123	0.4
102.04694	2.3
103.01784	0.3
103.05456	1.2
111.09204	0.7
126.04688	0.4
127.05450	1.6
128.06227	100.0
129.07062	16.4
129.08488	0.6
145.06488	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	129.07
Annotation	Naphthalene
Peak:m/z	Relative Intensity
51.02374	0.6
55.05506	0.4
55.81887	0.3
56.05025	0.8
66.74697	0.3
69.03416	2.6
69.07096	0.6
69.28701	0.5
69.29098	3.6
70.06590	0.4
84.04504	2.8
84.08128	1.3
95.04952	0.9
102.04655	0.4
103.05480	5.4
112.07608	7.5
115.05432	2.0
117.07022	0.8
127.05442	5.2
128.06226	100.0
129.01863	1.9
129.07069	62.9
130.06505	0.8
130.07378	3.3
130.08673	1.2
145.06480	17.2
146.06837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.96546	0.8
58.06591	1.7
60.60365	0.4
65.40023	0.4
70.06578	0.7
71.11974	0.3
71.14860	1.0
78.04694	1.2
82.06577	1.0
83.06129	0.4
86.06065	1.4
100.07613	0.7
102.04652	2.0
103.05462	1.7
110.06028	0.5
111.09226	0.8
111.53093	0.4
114.01492	0.6
127.05444	1.6
128.06219	100.0
129.01862	0.7
129.07059	14.9
135.03946	0.4
145.06479	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	127.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.00302	1.9
53.03948	29.1
55.01878	14.3
55.05482	1.2
56.05019	3.4
57.03426	2.7
58.06601	1.4
59.06109	1.0
65.03938	1.8
67.05477	1.0
67.90782	1.0
68.05019	4.6
69.03432	8.3
69.05350	1.3
70.06578	4.8
71.01345	1.8
71.04993	10.7
71.16386	3.1
74.86867	1.0
80.05015	1.2
81.03421	81.0
82.03767	2.3
82.06585	8.9
82.30092	1.2
83.01334	2.0
83.06109	1.5
84.04497	2.6
84.08140	7.6
85.02906	1.6
85.07647	2.1
86.06070	2.5
87.06855	3.3
87.08798	1.1
97.02885	2.2
99.04472	8.6
100.07610	2.8
105.98336	1.2
109.02882	100.0
109.07629	5.8
110.02398	6.0
110.03214	4.1
110.06021	3.2
111.09212	6.1
127.03924	69.8
127.04991	5.9
127.08661	4.5
128.03400	1.8
128.04288	2.1
128.07097	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	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.00298	2.8
53.03947	24.7
54.03450	0.8
55.01872	9.1
55.05509	2.0
56.05030	3.1
56.96558	1.6
57.03428	4.0
58.06594	3.2
59.06117	2.1
65.03924	1.7
67.01878	0.7
67.05482	1.0
68.05034	4.9
69.03429	15.5
69.05349	1.0
70.06582	5.6
71.01351	1.1
71.04990	10.0
71.50035	1.6
72.04503	1.3
72.08145	1.0
79.90496	0.6
80.05019	1.6
81.03417	79.9
81.05789	0.7
81.07063	1.7
82.03748	2.3
82.06576	10.5
83.01321	1.4
83.06091	2.0
84.04498	3.6
84.08150	5.5
85.02908	3.2
85.07680	2.0
86.06058	3.5
87.06849	3.1
96.13797	0.7
97.02846	1.6
97.07661	2.7
98.03680	2.0
99.04462	7.8
100.07620	5.3
109.02880	100.0
109.07640	8.7
110.02389	2.3
110.03210	3.9
110.06026	4.1
110.08466	1.0
111.09205	6.0
111.71769	0.6
127.03918	59.6
127.04948	4.4
127.08664	4.5
127.10613	1.2
127.32247	0.8
128.03462	0.9
128.04285	2.9
128.07068	9.0
143.86801	0.7
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
53.00299	2.0
53.03949	31.7
55.01872	15.2
55.05505	5.9
55.25442	1.2
56.05016	1.1
56.96572	11.2
57.03426	5.0
57.72200	1.1
58.57563	1.1
67.05488	1.8
67.93555	1.2
68.05009	2.3
69.03075	2.1
69.03429	29.5
70.06590	3.9
70.95336	2.7
71.01334	2.0
71.04995	12.1
72.93769	1.6
79.05499	1.9
81.03416	86.6
81.04447	2.2
81.07037	4.1
82.03745	4.6
82.06588	10.1
83.01347	2.1
84.04473	1.4
84.08163	2.6
85.02900	4.1
85.05136	1.4
86.06055	2.1
95.01337	9.8
97.02881	3.3
97.07643	1.9
98.03687	1.9
99.04437	6.6
100.07622	2.3
109.02878	100.0
110.03219	4.0
110.06040	1.8
111.09208	9.1
124.69003	1.4
127.03919	90.9
127.07275	2.8
128.03415	2.9
128.04272	3.8
128.07082	6.4
128.08038	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.5
53.03949	4.7
54.03467	0.5
55.01870	2.9
55.05512	34.0
56.05039	8.6
56.05840	1.1
56.96566	3.0
57.03419	1.5
57.04538	0.6
57.05808	0.6
58.06602	5.7
59.06127	27.5
65.03915	1.2
65.71195	0.5
67.02995	0.6
67.05489	1.9
68.05031	38.0
69.03432	6.3
69.05806	1.2
70.06595	11.2
70.66586	1.3
71.04987	3.1
71.44154	0.5
72.08147	0.8
76.45309	0.5
79.05056	1.0
79.05496	13.6
80.05003	1.8
80.05811	0.9
81.03424	9.3
81.04536	2.0
81.07060	43.3
82.06591	7.7
82.07394	1.5
83.04951	0.6
83.06111	3.2
83.07361	1.0
83.08619	10.6
84.04501	4.0
84.08135	3.2
84.96033	1.3
85.02867	0.7
85.07666	7.7
86.06065	0.6
86.08453	8.9
91.02337	1.5
91.05482	3.8
92.05037	0.7
93.05793	4.8
94.04170	0.5
96.04501	5.4
96.08139	0.7
97.02854	0.9
97.05277	23.7
97.07677	0.6
98.06064	16.4
98.09690	12.7
99.04428	1.8
99.09207	1.2
102.94845	0.6
108.04489	1.0
108.05672	0.6
108.08118	20.9
109.02887	9.1
109.04021	1.5
109.06509	32.1
109.07641	13.5
109.10120	0.5
110.06087	1.0
110.06805	1.1
111.06814	1.6
114.35109	0.5
121.01670	1.6
124.02827	0.7
126.05572	2.7
126.09149	100.0
126.10245	18.7
127.03922	24.2
127.04893	1.3
127.08678	0.8
127.09486	3.7
127.10442	0.9
128.57764	0.6
139.02663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	3-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
51.02372	0.5
53.03943	4.0
54.03457	1.0
55.01862	2.3
55.05499	2.0
56.05037	5.8
56.96551	1.5
57.04553	0.5
58.06598	3.2
59.06123	20.5
65.03931	1.7
66.03461	0.6
67.04227	0.7
67.05508	1.0
68.05027	25.7
68.99783	0.7
69.03442	2.7
69.04539	1.3
69.05804	0.6
69.07052	1.6
70.06596	3.9
70.42365	2.0
71.01338	1.2
77.03928	0.8
79.05491	38.9
79.85019	0.5
80.05014	2.3
80.05812	1.7
81.03417	1.2
81.04544	1.5
81.05318	0.5
81.07052	1.7
82.04184	0.7
82.05314	0.7
82.06575	5.4
83.04977	1.8
83.06101	4.3
84.04483	2.6
84.05644	0.7
84.06445	0.8
84.08142	1.3
84.96017	0.8
85.07655	4.7
86.08432	5.8
95.04968	9.7
95.06064	1.0
96.06870	2.7
97.02896	5.8
97.06538	5.0
97.07652	2.9
98.06062	1.6
99.09232	0.5
102.02227	1.5
105.04552	1.1
107.04952	55.2
107.08621	0.7
108.04543	1.1
108.05289	2.4
109.07640	7.1
110.03658	56.6
111.03912	1.2
120.02008	1.7
120.03263	2.9
121.01659	1.0
123.04451	3.9
124.04749	0.6
125.02445	2.8
125.05994	100.0
125.07061	8.6
125.08978	1.4
125.10706	1.0
126.05495	3.3
126.06377	4.6
126.09181	1.9
126.10262	14.3
126.11190	0.7
135.05560	0.6
138.03036	1.7
139.02711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	2.2
56.05024	1.8
56.13815	1.5
56.96547	1.5
68.05038	1.7
71.17500	1.3
71.17844	2.7
80.05013	3.7
81.04531	4.5
83.06090	11.2
89.94269	1.4
95.29510	1.3
96.04493	3.4
97.02905	3.7
101.02626	1.9
101.61573	1.3
102.02268	2.0
107.06075	2.4
119.01926	17.0
119.03568	1.7
124.03948	6.2
124.05060	2.4
124.08716	100.0
125.09037	3.8
137.02977	6.8
142.97301	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.02382	0.4
53.03939	1.5
54.03466	1.3
55.05512	0.4
56.04779	0.4
56.05035	6.7
56.96558	1.3
57.04589	0.3
58.06591	1.1
64.92817	0.4
66.03460	0.6
67.04250	0.7
68.05032	4.0
69.03411	0.5
69.04562	1.9
70.06592	2.2
70.99088	0.7
73.14209	0.3
74.85192	0.3
78.03450	1.5
79.05487	0.9
80.05016	27.0
81.03404	0.3
81.04542	5.5
81.05336	0.9
81.05769	0.5
82.05322	0.6
82.06561	1.1
82.93925	0.3
83.06105	12.8
83.06599	0.7
84.04550	0.4
84.06895	0.7
95.06090	0.8
96.04491	18.8
96.05225	0.5
96.06870	0.6
96.08117	0.6
97.02872	2.6
97.04044	0.3
97.04837	0.6
97.07655	7.3
101.00883	2.1
101.02583	0.8
107.06084	9.4
112.03946	1.7
118.03458	0.3
119.01921	23.9
119.03646	1.1
120.02013	1.6
120.03322	0.4
124.03954	100.0
124.07604	1.4
124.08707	12.8
125.02356	1.2
125.04303	3.2
125.06167	0.5
125.07115	2.9
125.10749	0.3
134.05031	0.3
137.02954	17.8
138.03062	0.9
140.03430	2.0
142.03502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
53.03949	0.6
53.53617	0.2
54.03467	0.4
55.01865	0.4
56.05027	0.6
56.96563	1.7
57.03431	0.7
58.06597	0.6
58.99863	1.6
59.07390	0.2
60.95847	0.3
61.02927	0.5
65.83349	0.2
68.05028	1.4
69.03424	0.8
69.04555	3.5
69.41629	1.0
69.42058	0.8
70.06573	0.3
70.99847	0.6
71.01343	0.3
73.02920	0.4
77.00912	5.0
78.03453	1.5
78.06322	0.7
79.00637	0.3
79.05501	0.4
80.05016	22.4
81.03410	0.7
81.04538	2.2
81.05337	1.7
81.05763	0.5
82.05325	5.2
82.06567	1.0
82.92886	1.4
82.99838	0.5
83.06101	1.8
83.92940	0.3
84.08143	0.5
85.02904	0.3
89.00892	0.8
89.02537	0.3
93.04556	0.3
94.53352	0.3
95.01945	2.5
95.04988	0.2
95.06084	0.8
96.04493	17.6
96.06860	1.7
96.08115	0.4
97.02890	2.0
97.04001	0.7
97.04788	0.5
97.05330	0.5
97.07646	1.7
98.06039	0.8
99.09286	0.2
100.02483	1.4
100.07639	0.3
100.93909	0.4
101.00871	6.5
101.02569	2.2
102.00940	0.3
102.02232	1.3
103.02295	0.5
107.01937	0.3
107.03279	0.2
107.06084	0.5
109.02860	0.4
109.03995	4.7
110.04782	45.3
112.03999	0.5
115.02432	0.2
117.10267	0.5
118.03534	1.4
119.01920	67.7
119.03645	2.3
120.01997	4.5
120.03265	2.2
121.01621	1.1
121.03368	0.2
123.95499	0.3
124.03952	100.0
124.07568	0.9
124.08676	2.2
125.02413	0.5
125.03530	0.3
125.04310	2.8
125.07111	28.7
125.10739	0.4
129.21167	0.2
133.01643	0.8
133.03461	0.7
135.03226	0.2
137.02954	38.7
138.03023	2.6
138.48952	0.2
139.02634	0.3
140.03450	1.3
142.03500	3.6
143.03616	0.5
144.03264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.03469	0.3
55.05491	0.2
56.05034	1.1
56.96564	2.4
58.06598	0.2
58.99847	0.7
60.00636	0.2
63.42318	0.1
68.05034	0.7
69.03424	0.2
69.04547	0.4
70.06590	0.4
71.30130	0.3
71.95256	0.2
72.60326	0.2
77.00883	0.7
78.03447	0.2
78.04704	0.3
79.05499	0.2
80.05017	3.6
81.04542	1.1
81.05346	0.4
82.05322	0.4
82.06569	0.2
82.94827	0.2
82.99852	0.6
83.06103	2.2
83.97659	0.2
93.00326	0.1
94.06571	0.2
95.01337	0.3
95.06118	0.2
96.04491	2.8
96.05283	1.0
96.08176	0.2
97.02893	0.5
97.04829	0.2
97.07645	1.0
98.97599	0.4
100.02483	1.1
101.00871	8.6
101.02554	1.8
102.00970	0.4
102.02245	1.0
102.50121	0.1
107.06083	1.5
108.04438	0.1
110.04759	0.4
115.02451	0.2
116.98609	0.2
118.03542	1.2
119.01917	100.0
120.01995	5.5
120.03286	1.0
121.02322	0.4
123.96430	0.2
124.03951	13.8
124.05852	0.9
124.07600	0.8
124.08705	2.6
125.02326	0.2
125.04306	0.3
125.07086	1.2
125.10709	0.2
133.03433	0.4
134.99683	0.2
137.02951	63.5
138.03041	3.8
139.03445	0.2
140.03491	0.2
142.03505	4.3
143.03613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65465	0.2
58.99853	0.2
71.01632	0.3
71.01971	0.3
75.14537	0.2
76.25633	0.2
82.99856	0.5
83.01517	0.5
84.01190	0.3
100.02465	1.3
101.00875	9.7
101.02548	3.2
102.00980	0.6
102.02229	1.7
115.77969	0.2
118.03513	1.0
119.01917	100.0
119.03648	3.5
120.01994	5.8
120.03208	1.4
121.02357	0.3
124.02449	0.3
133.03433	0.2
137.02951	58.3
138.03038	2.7
139.03333	0.4
142.02417	0.4
142.03494	5.7
143.03548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
54.03469	2.5
55.01873	1.0
55.05515	5.9
56.05040	4.3
57.07075	5.7
58.06604	0.9
65.03939	1.8
67.04250	0.7
67.05504	18.2
67.06871	0.5
68.05020	4.0
69.04533	0.9
69.07075	2.8
69.61080	4.5
70.06587	1.9
71.44544	0.6
76.59785	0.5
77.03922	0.9
79.05492	18.6
80.05016	13.8
80.05806	0.9
80.53661	0.5
81.03420	0.8
81.04545	6.4
81.07056	100.0
82.01456	1.1
82.04879	0.9
82.05331	0.9
82.06587	0.5
82.07368	3.4
83.06100	7.2
84.06861	0.5
91.05464	1.0
93.07035	3.3
94.06604	0.6
94.07828	0.7
95.04969	27.2
95.06042	1.7
95.08607	19.7
95.09222	0.6
96.04482	7.7
96.05271	0.8
96.09009	0.6
97.07650	6.9
100.02478	15.2
101.02570	1.3
105.03403	0.8
105.04533	1.8
105.06996	0.8
106.02897	0.6
106.07379	1.4
107.06085	7.2
107.07326	0.6
108.05729	0.7
108.07658	3.2
108.09369	0.8
112.04002	1.0
118.03524	15.9
118.54321	0.5
119.01912	8.8
119.03616	0.9
121.10143	1.7
123.04440	7.6
123.05552	22.5
123.07420	2.4
123.08223	6.6
123.09177	1.9
123.09987	3.8
123.11703	24.8
124.03969	7.8
124.04893	0.9
124.07713	1.0
124.08708	11.7
124.09618	0.4
124.12014	0.9
128.91096	0.5
137.02937	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02372	1.0
53.03944	10.7
54.03465	4.4
55.01877	6.1
55.05512	11.6
56.05034	6.7
56.96572	1.0
57.03427	1.8
57.07061	2.2
65.03926	3.3
67.05502	55.5
68.05026	5.2
68.05813	1.1
69.03421	2.0
69.04505	1.5
69.97868	3.1
69.98283	2.4
70.06577	4.0
77.00888	2.2
77.04545	1.1
78.03425	1.1
79.05490	39.0
80.05014	43.2
80.05787	2.1
81.03424	6.5
81.04537	8.5
81.05352	2.1
81.07053	100.0
82.01446	4.9
82.04151	1.2
82.04888	2.2
82.05324	1.4
82.07390	2.0
83.05649	1.8
83.06100	7.0
91.05482	4.7
91.66626	1.0
93.07038	14.2
95.04964	63.2
95.06049	3.2
95.08601	41.1
96.04494	23.8
96.08141	2.2
96.08918	1.7
97.07639	9.9
100.02475	70.8
101.02567	5.0
103.05488	1.9
105.04503	2.9
105.07022	14.0
106.02901	2.3
106.07346	4.3
107.06083	7.9
107.07332	1.5
108.05708	5.9
108.07678	5.1
112.03957	4.9
116.27425	1.1
118.03516	86.3
119.01922	18.7
119.02737	1.7
119.02903	1.0
119.03594	9.1
123.04422	13.3
123.05548	84.9
123.06581	3.3
123.08102	72.4
123.09960	9.2
123.11710	10.1
124.03035	1.6
124.03952	31.6
124.04861	1.2
124.05892	2.5
124.07560	3.0
124.08675	17.9
137.02954	15.0
140.03412	3.7
141.05113	5.5
142.03470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02386	1.2
53.03942	9.4
54.03464	5.7
55.01875	3.0
55.02994	1.6
55.05507	12.0
56.05033	7.4
56.96556	1.1
57.07072	3.9
58.06590	1.4
58.99860	0.9
65.03939	3.4
67.05502	50.2
68.05010	4.7
68.05820	1.6
69.03436	1.8
69.04557	1.4
69.07068	2.1
69.71160	5.9
70.06585	3.7
72.54324	0.8
77.00883	1.4
77.03932	1.5
78.03463	1.1
79.05489	26.0
80.01387	1.2
80.05015	37.2
80.05794	2.2
80.06255	1.9
81.03435	2.8
81.04538	11.5
81.07053	100.0
82.01442	4.1
82.02963	1.1
82.04896	1.4
82.05348	2.6
82.06573	1.1
82.07397	2.4
83.05653	1.8
83.06091	11.3
91.05471	3.1
93.07039	10.9
94.06566	1.1
95.04967	54.1
95.06106	3.3
95.08600	47.5
96.04490	16.2
96.05274	1.7
96.06407	1.3
96.08140	1.4
96.08923	1.9
97.07640	11.1
98.21523	1.0
100.02477	56.6
101.00893	1.8
101.02610	3.9
103.05474	1.4
105.04527	3.1
105.07023	10.0
106.02920	1.5
106.06678	0.9
106.07380	3.3
107.04961	6.8
107.06075	11.9
108.05753	30.4
108.07666	4.1
108.09346	1.4
112.04002	3.6
112.55995	1.0
118.02264	1.2
118.02672	2.0
118.02802	1.2
118.03516	60.7
119.01927	22.3
119.03609	5.4
121.06478	5.0
123.04470	12.5
123.05582	64.8
123.06638	2.5
123.08096	85.9
123.09892	6.2
123.11689	23.2
123.12547	1.7
124.03958	24.5
124.04956	2.3
124.05912	1.5
124.07617	3.4
124.08721	21.8
137.02959	16.3
140.03467	2.2
141.05115	3.1
142.03517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.61346	0.4
53.03946	2.8
54.03471	2.6
55.01866	1.5
55.02997	0.4
55.05508	5.6
56.05038	3.2
57.07074	1.0
58.06584	0.6
63.40755	0.4
65.03935	1.5
67.05505	19.5
68.05024	3.0
68.05841	0.7
69.03425	1.3
69.04558	1.1
69.73331	0.4
69.88634	0.8
69.89042	1.5
70.06584	2.1
77.03922	0.7
79.05490	7.4
79.83155	0.4
80.05019	13.1
80.06291	0.5
81.03427	0.9
81.04543	4.4
81.07056	20.0
82.01454	1.3
82.04869	0.6
82.05313	0.9
82.06583	0.7
82.07378	0.5
83.05019	0.5
83.05649	0.7
83.06105	5.0
91.05493	1.0
93.07049	3.7
95.04970	21.1
95.06021	0.9
95.08607	12.4
96.04491	6.6
96.05160	0.6
96.05329	0.5
96.06392	0.5
96.08143	0.7
97.02922	0.5
97.07651	4.0
97.34579	0.4
100.02483	19.4
101.00896	0.4
101.02542	2.4
103.05491	0.8
105.04527	1.3
105.07037	4.5
106.02942	0.7
106.07369	1.6
107.04962	1.0
107.06081	5.7
108.05750	3.9
108.07667	2.4
112.03992	1.4
114.34546	0.3
118.03519	23.1
119.01926	9.8
119.03601	2.2
121.06525	0.8
123.04453	4.7
123.05573	25.0
123.08082	100.0
123.09861	3.0
123.11670	3.6
124.03951	8.2
124.04982	0.7
124.05917	0.7
124.07573	1.3
124.08665	10.6
136.04599	0.5
137.02965	7.6
140.03416	0.9
141.05119	0.9
142.03511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03947	5.9
54.03467	4.4
55.01868	1.4
55.02992	0.8
55.05511	8.2
56.05035	7.7
56.96571	0.6
57.07076	2.1
58.06597	1.3
58.99848	0.6
65.03938	3.1
66.03447	0.6
67.02990	0.6
67.04271	0.8
67.05503	37.7
67.66940	0.5
68.05022	4.7
68.05838	1.3
69.03434	1.4
69.04568	1.6
69.07059	1.0
69.77579	3.2
70.06589	2.6
77.00908	0.9
77.03924	1.0
78.03443	1.1
79.05494	11.3
80.05016	23.1
80.05792	1.1
80.06280	1.0
81.03419	2.2
81.04543	9.3
81.07056	42.2
82.01456	2.1
82.02911	0.7
82.04873	1.3
82.05316	1.1
82.06586	1.6
82.07383	1.0
83.05016	0.8
83.05650	0.9
83.06101	11.2
91.05459	2.4
93.07050	7.2
94.04191	0.6
95.04967	42.2
95.06093	3.6
95.08604	24.2
96.04491	11.0
96.05278	1.4
96.06396	0.8
96.08121	0.9
96.08927	0.6
97.07649	8.3
98.20827	1.1
100.02479	28.5
101.00894	1.5
101.02576	2.6
102.62943	0.4
103.05478	1.7
105.03371	0.8
105.04525	1.7
105.07025	7.1
105.32199	0.5
106.02912	1.3
106.06673	0.6
106.07376	2.2
107.04966	1.2
107.06075	9.5
108.05739	8.6
108.06956	0.5
108.07690	2.3
112.03981	2.1
118.03517	32.9
119.01038	0.6
119.01180	0.4
119.01922	20.8
119.03608	3.5
123.04462	8.6
123.05576	38.2
123.08086	100.0
123.09107	3.2
123.10002	4.2
123.11681	7.4
124.03950	17.0
124.04971	1.7
124.05912	1.8
124.07589	1.4
124.08714	19.2
137.02956	13.4
140.03445	1.2
141.05136	1.3
142.03510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.00298	1.0
53.03943	10.5
54.03474	6.6
55.01867	2.8
55.03804	1.1
55.05513	25.1
56.05033	11.9
56.96563	0.9
57.07074	2.8
58.06593	2.3
65.03944	3.9
66.03476	1.3
67.05503	100.0
68.05025	8.6
68.05836	2.3
69.03435	3.4
69.04557	2.6
69.07060	1.2
69.36944	9.5
70.06573	4.7
77.03940	1.2
79.05490	19.4
79.26747	0.9
80.05013	29.5
80.05814	2.2
80.06277	2.5
81.03439	2.6
81.04534	14.6
81.05360	1.3
81.05794	1.2
81.07056	48.0
82.01456	2.6
82.02969	1.1
82.04881	1.9
82.05336	2.7
82.06590	3.1
83.05635	2.0
83.06102	16.3
91.05506	4.0
93.07039	21.3
95.04431	1.0
95.04970	54.6
95.06107	3.9
95.08603	92.3
96.04482	15.5
96.05158	1.3
96.05304	1.1
96.06403	1.2
96.08140	2.8
96.08939	4.4
97.07648	14.2
100.02482	31.2
101.00913	1.5
101.02628	2.0
103.05492	2.0
105.04540	3.0
105.07026	9.8
106.02937	1.1
106.06670	1.9
106.07393	5.9
107.04994	4.8
107.06078	15.4
108.05740	27.1
108.06973	1.7
108.07670	8.5
109.06100	1.5
112.04025	2.2
118.03522	33.1
119.01916	24.8
119.03613	2.9
121.06555	3.1
123.04481	9.9
123.05589	45.7
123.08105	63.1
123.09193	6.3
123.09930	10.7
123.11683	11.8
123.12452	1.1
124.03953	15.2
124.04918	2.0
124.05949	1.4
124.07626	4.8
124.08736	29.0
137.02943	16.1
137.03885	1.4
142.03561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02382	1.1
53.03945	9.6
54.03453	1.5
55.01869	8.1
55.05511	16.8
56.05030	2.6
56.96573	4.2
57.03434	2.6
57.07059	1.7
57.50230	0.8
65.03933	3.7
67.05503	70.6
68.05019	1.9
68.05839	1.6
69.07064	2.4
69.50333	2.8
69.50757	5.2
70.06589	1.1
78.03452	1.1
78.03976	0.9
79.05489	47.5
80.05016	31.8
80.05807	2.3
80.06279	1.6
81.03413	7.2
81.04544	2.4
81.07055	100.0
82.01450	3.4
82.04189	2.1
82.07378	4.3
83.05665	1.0
83.06104	2.2
90.41682	0.8
91.05475	4.8
93.07039	17.1
95.01347	1.3
95.04965	53.7
95.08603	58.4
96.04483	18.4
96.05317	1.8
96.08906	1.4
97.07645	3.4
100.02477	45.8
100.36522	0.9
101.02576	3.6
103.05488	3.7
105.04534	3.3
105.07027	18.4
106.02887	1.4
106.07384	4.9
107.04956	1.6
107.06060	2.1
108.05725	8.6
108.07681	3.7
112.03973	3.4
118.03515	50.7
119.01905	6.4
119.03637	3.8
121.06452	1.1
123.04436	6.0
123.05553	55.6
123.08076	97.9
123.09912	5.9
123.11682	6.4
124.03945	21.6
124.05935	2.0
124.07556	2.1
124.08634	8.4
137.02937	4.9
140.03426	1.7
141.05115	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	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.0
53.03943	10.5
54.03474	6.6
55.01867	2.8
55.03804	1.1
55.05513	25.1
56.05033	11.9
56.96563	0.9
57.07074	2.8
58.06593	2.3
65.03944	3.9
66.03476	1.3
67.05503	100.0
68.05025	8.6
68.05836	2.3
69.03435	3.4
69.04557	2.6
69.07060	1.2
69.36944	9.5
70.06573	4.7
77.03940	1.2
79.05490	19.4
79.26747	0.9
80.05013	29.5
80.05814	2.2
80.06277	2.5
81.03439	2.6
81.04534	14.6
81.05360	1.3
81.05794	1.2
81.07056	48.0
82.01456	2.6
82.02969	1.1
82.04881	1.9
82.05336	2.7
82.06590	3.1
83.05635	2.0
83.06102	16.3
91.05506	4.0
93.07039	21.3
95.04431	1.0
95.04970	54.6
95.06107	3.9
95.08603	92.3
96.04482	15.5
96.05158	1.3
96.05304	1.1
96.06403	1.2
96.08140	2.8
96.08939	4.4
97.07648	14.2
100.02482	31.2
101.00913	1.5
101.02628	2.0
103.05492	2.0
105.04540	3.0
105.07026	9.8
106.02937	1.1
106.06670	1.9
106.07393	5.9
107.04994	4.8
107.06078	15.4
108.05740	27.1
108.06973	1.7
108.07670	8.5
109.06100	1.5
112.04025	2.2
118.03522	33.1
119.01916	24.8
119.03613	2.9
121.06555	3.1
123.04481	9.9
123.05589	45.7
123.08105	63.1
123.09193	6.3
123.09930	10.7
123.11683	11.8
123.12452	1.1
124.03953	15.2
124.04918	2.0
124.05949	1.4
124.07626	4.8
124.08736	29.0
137.02943	16.1
137.03885	1.4
142.03561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02384	0.8
53.03945	7.7
54.03478	4.9
55.01867	1.5
55.02989	0.9
55.05510	11.4
56.05037	11.6
56.96566	1.0
57.07067	2.7
58.06588	2.1
65.03940	3.2
66.03465	1.3
67.02966	0.9
67.04281	0.8
67.05503	46.5
68.05036	6.5
68.05817	1.2
69.03429	2.6
69.04541	2.0
69.07063	1.8
70.06598	4.9
70.86060	1.1
70.86401	1.2
77.00911	1.4
77.03929	1.3
78.03449	1.3
79.05489	14.6
80.05017	28.0
80.05817	1.7
80.06255	1.5
81.03419	2.2
81.04543	11.7
81.05350	1.1
81.07055	46.0
82.01447	1.9
82.04900	1.0
82.05338	2.7
82.06582	1.9
83.05650	1.3
83.06096	14.6
91.05490	2.9
93.07040	12.0
95.04968	56.5
95.06081	3.3
95.08600	35.8
95.45943	0.7
96.04494	13.7
96.05260	1.3
96.08131	1.5
96.08932	1.9
97.07659	10.7
100.02478	38.2
101.00889	1.8
101.02568	3.8
101.20365	0.7
103.05476	1.9
105.03394	0.9
105.04532	2.6
105.07021	9.1
106.02900	1.2
106.07345	3.8
107.04962	1.4
107.06075	12.3
107.07301	1.3
108.05747	11.2
108.06962	1.2
108.07656	6.7
112.03961	2.3
118.03519	41.9
119.01918	23.7
119.03598	3.6
121.06510	1.3
123.04465	10.4
123.05572	46.8
123.08087	100.0
123.09953	11.5
123.11687	7.3
124.03947	20.0
124.04960	1.6
124.05950	1.4
124.07590	2.0
124.08701	22.7
137.02948	15.8
137.03979	1.0
140.03442	1.0
141.05070	1.7
142.03542	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03941	2.9
54.03471	0.4
55.01870	2.0
55.05488	0.8
56.96565	3.9
57.03441	3.5
58.06605	0.5
58.87857	0.3
58.99850	1.7
59.07384	0.3
60.04524	0.4
60.08158	0.4
60.95842	0.6
61.02184	0.3
61.02927	2.3
65.03947	0.6
67.05499	4.3
68.02649	0.6
68.05031	0.9
68.99797	0.3
69.03423	2.5
70.99847	0.6
71.04999	0.4
71.58386	0.4
73.02900	2.3
75.01888	0.4
77.00904	3.5
78.03447	1.9
78.06345	0.9
78.52965	1.2
79.05489	2.4
79.51940	0.4
80.05014	48.7
81.01905	0.6
81.03423	1.9
81.04543	0.4
81.05334	0.9
81.05783	0.4
81.07056	3.6
82.01425	2.6
82.06569	0.4
82.92896	0.6
82.99836	0.4
83.00813	0.3
84.02426	0.5
85.02904	0.9
86.03688	0.4
86.52711	0.8
87.00839	0.4
87.01903	0.4
87.53493	0.4
88.02684	1.9
88.52694	0.4
89.00901	0.4
90.02415	0.6
93.01888	0.5
93.53465	0.6
95.01950	1.8
95.04967	20.7
95.05976	1.7
95.08589	1.8
96.04487	20.9
96.08101	0.5
97.02840	1.5
97.05299	0.5
98.52708	0.4
98.97591	1.3
99.02840	0.4
99.53439	0.8
100.02480	28.2
101.00868	5.4
101.02547	1.7
102.02396	2.3
103.02350	0.6
105.00438	0.3
105.03360	0.6
105.04505	1.1
106.02918	3.1
109.02886	1.1
111.02956	1.5
112.03957	1.0
113.00874	0.3
113.53185	0.4
115.02437	1.2
116.98634	2.0
118.01203	1.8
118.03519	33.0
119.01917	57.6
119.03595	2.0
120.02047	1.2
120.03336	0.8
121.01668	1.0
121.02426	0.4
123.04539	4.6
123.05544	100.0
124.03947	32.1
124.05852	2.4
124.07571	0.6
124.08662	0.4
131.01894	4.4
132.02023	0.4
133.01642	0.5
133.03418	1.6
134.99661	1.2
136.04550	2.0
137.02948	36.8
138.03008	0.4
140.03427	0.8
141.05110	0.9
141.96616	0.3
142.03485	5.1
143.01883	0.4
143.03590	0.5
144.03238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02382	0.4
53.03934	1.3
56.96531	0.4
57.03429	2.1
58.99860	1.3
61.02921	1.0
66.40611	0.4
67.05513	0.6
68.04996	0.5
69.03417	1.4
69.92522	2.4
70.99854	0.7
73.02897	1.0
77.00899	2.2
78.03453	10.5
78.52956	0.5
79.34256	0.4
80.05015	48.0
81.03426	1.1
81.05351	0.8
82.01440	2.8
85.02899	0.9
88.02688	1.1
88.66637	0.5
95.01932	0.5
95.04977	4.1
95.06113	0.7
96.04494	18.7
98.21491	0.5
98.52610	0.5
99.53462	0.4
100.02479	22.7
101.00877	4.1
101.02576	1.5
102.02310	0.8
105.04538	1.0
106.02912	21.6
110.51785	0.4
114.39420	0.4
115.02445	0.4
118.01168	1.1
118.02656	0.6
118.03521	22.1
119.01920	36.9
119.03643	1.9
120.03372	0.7
121.01694	0.7
123.05550	100.0
124.02540	0.6
124.03954	14.8
124.05865	2.3
131.01906	2.8
132.02026	0.5
133.03481	0.5
137.02959	19.4
141.05058	0.5
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	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02379	0.2
53.03941	1.8
54.03466	0.8
55.01870	0.6
55.03008	0.2
55.05511	0.3
56.05041	1.2
56.96568	1.4
57.03426	0.2
58.06584	0.2
58.99867	0.2
64.92798	0.6
65.03936	0.3
66.25276	0.1
67.02992	0.2
67.04240	0.2
67.05499	2.5
68.05033	2.4
68.05816	0.2
69.03428	0.2
69.04531	0.4
70.06575	0.3
70.26446	0.4
70.26830	0.4
73.02960	0.1
75.88574	0.1
75.99171	0.2
77.00885	0.3
77.03922	0.5
78.03447	1.2
79.04204	0.3
79.05492	1.5
80.05013	46.0
80.29605	0.1
81.03411	0.5
81.04543	1.7
81.05334	1.0
81.07045	1.9
82.01434	0.7
82.04867	0.2
82.05334	0.3
82.06576	0.4
83.05633	0.3
83.06100	2.8
93.02100	0.3
93.07027	0.2
94.06602	0.2
95.04967	10.6
95.06022	1.6
95.08596	0.8
96.04489	15.1
96.06396	0.3
97.04838	0.4
97.07644	1.1
98.97549	0.2
100.02478	10.5
101.00864	1.7
101.02551	0.6
105.03407	0.9
105.04500	1.0
106.02913	2.8
106.06603	0.2
107.06054	1.9
108.05740	0.2
112.03967	0.3
116.98611	0.2
118.03516	10.9
119.01918	21.5
119.03640	0.6
123.04520	5.0
123.05544	100.0
123.09154	1.0
123.96464	0.4
124.03952	6.3
124.04976	0.4
124.05901	2.3
124.07688	0.3
124.08701	2.8
134.99640	0.3
136.04541	0.7
137.02950	17.5
140.03419	0.3
141.05080	0.2
142.03470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03946	5.7
55.01861	1.3
56.96565	9.3
57.03426	0.6
58.99867	1.2
61.02890	0.6
65.03939	0.5
67.05502	3.0
68.05028	1.3
69.10291	0.4
69.79118	2.4
71.95261	0.7
73.02903	0.4
74.42768	0.4
74.97596	0.4
75.04482	0.4
77.00809	3.7
77.02509	0.5
77.03925	1.5
78.03447	2.4
78.04724	0.4
79.05483	0.7
80.05015	20.3
81.03434	0.7
81.04556	0.5
81.07037	1.1
82.01435	3.6
82.99814	0.5
83.00774	0.7
83.01517	0.4
83.06131	0.8
84.01564	0.7
85.02867	0.6
86.01295	1.1
92.01309	0.9
94.06594	0.9
95.01353	0.4
95.04966	59.9
95.08539	0.4
96.04490	10.2
96.05287	1.6
98.97582	5.8
100.02477	30.6
101.00867	10.5
101.02589	1.3
105.03373	1.0
105.04502	3.1
106.02901	4.4
110.88518	0.4
116.98614	4.0
117.28893	0.4
118.01156	0.9
118.02650	0.8
118.03519	26.9
119.01915	100.0
123.04438	15.1
123.05551	32.0
123.08025	0.5
123.09232	1.0
124.03944	33.1
124.05900	1.2
124.07584	1.3
124.08724	1.3
128.00533	0.4
131.01892	0.6
133.03444	0.6
134.99648	2.0
136.04556	1.5
137.02950	58.8
142.03477	5.7
143.58531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.3
51.02382	4.4
53.00317	0.3
53.03701	0.4
53.03944	5.5
53.45165	0.2
53.97634	0.2
54.03460	0.6
55.01871	1.5
55.05510	0.3
55.59892	0.2
56.05026	1.1
56.96560	0.6
58.93188	0.3
65.03941	1.3
67.05501	9.3
68.05021	1.3
69.03371	0.2
69.04543	0.4
69.60851	0.5
69.61252	1.7
70.06566	0.2
77.03926	11.1
78.03465	0.4
78.04240	0.5
78.61111	0.2
79.05477	1.2
80.05016	7.3
81.03414	0.7
81.04535	1.2
81.07050	1.5
82.01430	0.4
82.05340	0.4
83.06102	2.0
93.27439	0.2
95.04965	22.6
95.06068	1.0
95.08607	0.6
96.04497	3.6
96.05165	0.5
97.07658	1.0
100.02480	4.5
101.00871	0.6
105.03388	16.0
105.04445	2.5
106.02931	0.4
106.03696	0.6
107.06096	1.6
112.03959	0.3
118.03522	4.1
119.01916	9.0
119.03651	0.3
123.04428	100.0
123.05512	12.1
123.08076	0.8
123.09167	0.8
124.03938	3.1
124.04780	2.8
124.07793	0.3
124.08701	2.3
136.04593	0.5
137.02950	6.0
142.03519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72414	0.4
54.02958	0.4
55.03770	0.3
58.99855	1.1
62.09700	0.4
71.42062	0.8
77.00887	0.7
78.42246	0.3
82.01434	5.9
82.99835	0.5
99.81932	0.4
100.02479	53.1
101.00867	9.2
101.01485	0.7
101.02533	3.1
105.39445	0.4
114.51472	0.4
118.03519	41.0
119.01917	100.0
123.04042	0.7
136.04544	1.1
137.02953	62.2
141.05067	0.6
142.03488	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02391	0.4
51.62174	0.3
52.22692	0.3
53.03948	2.6
55.01867	1.3
55.05499	0.6
56.96563	6.9
57.03438	1.3
58.99861	1.2
60.95845	0.3
61.02930	1.0
62.51122	0.3
65.03945	0.6
67.05505	3.8
68.00269	0.6
68.02639	0.4
68.05019	1.0
69.03423	1.2
69.61685	0.9
69.62087	1.5
71.01336	0.4
73.02917	0.9
75.04478	0.4
77.00861	3.1
77.03955	0.4
78.03448	2.8
79.05492	2.3
80.05013	46.8
81.03403	1.2
81.04544	0.8
81.05336	0.4
81.07053	3.5
82.01427	1.9
83.00751	0.4
85.02921	0.9
86.01302	0.9
86.52709	0.4
87.00808	0.8
87.53431	0.3
88.02655	0.3
93.07027	0.6
94.05271	0.3
95.01354	0.4
95.01929	1.1
95.04967	21.7
95.06074	1.1
95.08595	1.6
96.04488	19.3
96.08095	0.5
97.02828	0.6
98.97575	3.7
100.02479	40.0
101.00866	4.2
101.02564	2.2
102.02314	0.5
105.03396	0.8
105.04513	1.5
106.02913	5.9
108.05770	0.5
109.02874	0.5
111.02940	0.4
112.03952	1.0
115.02436	0.5
116.98640	3.7
118.01135	1.3
118.03519	46.8
119.01917	58.6
119.03620	3.3
120.01977	0.4
123.04501	5.2
123.05547	100.0
123.07958	2.1
123.11691	0.6
124.03951	16.4
124.05881	2.8
124.08714	0.7
131.01898	1.4
133.03397	0.5
134.99664	3.5
136.04539	2.6
137.02951	40.7
140.03400	0.8
141.05098	1.1
142.03494	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	0.9
53.03945	6.9
54.03474	4.1
55.01865	1.0
55.05504	1.3
56.05059	0.5
56.96553	1.0
57.03468	0.5
60.05214	0.4
60.97150	0.5
65.03932	1.9
67.05503	1.7
67.38826	0.4
68.05042	0.9
70.06589	1.8
71.05338	1.0
73.02901	0.5
75.21497	0.4
77.03927	1.8
77.57721	0.5
79.05493	38.8
79.14798	0.5
80.05016	0.7
80.05831	1.4
80.06257	0.5
81.03422	1.1
81.04540	11.2
81.07076	1.2
82.05318	9.5
91.05482	19.8
92.05814	0.8
93.04562	0.6
93.07043	32.5
94.06566	2.0
94.07393	1.0
95.04358	0.8
95.04971	16.4
95.06069	4.4
96.05332	1.0
98.97538	0.6
103.05467	19.1
104.05812	0.6
105.04527	4.9
105.07028	100.0
106.06565	1.1
106.07249	1.4
106.07905	5.9
107.04920	0.8
107.07335	15.6
119.08578	13.0
120.05672	0.7
120.08918	1.3
121.02914	1.6
121.03978	1.0
121.06523	6.6
121.10142	42.1
122.06111	2.1
122.07150	48.9
122.09662	19.4
122.10484	2.3
123.08066	13.0
124.08389	0.7
128.08929	0.4
133.07616	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.23340	0.5
51.71146	0.5
52.45819	0.5
52.97843	0.6
53.03951	4.4
54.03467	10.6
55.01864	1.3
55.05498	1.7
56.96564	2.5
58.02953	1.1
65.03933	3.1
67.02982	1.2
67.05499	2.0
68.05037	2.6
70.06590	2.7
71.60023	0.6
74.13615	0.4
74.89471	0.5
77.03925	0.8
78.04696	0.7
79.05490	25.9
80.05036	1.4
81.03449	0.7
81.04536	24.7
81.05791	1.3
81.07034	1.1
82.05318	21.3
91.05479	15.0
93.04541	0.8
93.07037	21.5
94.06558	3.4
94.07374	0.7
95.04971	13.2
95.06078	8.5
96.05293	0.7
98.23022	0.5
98.97585	0.8
103.05464	12.1
104.05814	1.0
105.04521	5.4
105.07026	53.4
106.06609	2.5
106.07914	2.7
107.04904	1.0
107.07330	33.1
111.04457	0.9
116.98618	0.6
119.08572	6.3
120.05610	1.1
120.08081	1.2
121.02866	2.9
121.03979	1.5
121.05079	1.1
121.06513	10.6
121.07600	1.8
121.08351	0.7
121.10133	19.7
122.06127	3.8
122.07146	100.0
122.09652	38.0
123.08073	6.0
133.07623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	0.6
53.03942	6.3
54.03473	8.7
55.01852	0.7
55.05515	3.0
56.96562	1.2
65.03953	3.0
67.02989	1.4
67.05501	2.5
68.05018	2.4
69.73516	4.0
70.06580	1.9
77.03940	1.9
78.04686	0.9
79.02990	0.6
79.05492	50.5
80.05009	1.8
80.05807	1.0
80.21553	0.7
81.03455	0.8
81.04541	15.1
81.05816	1.0
81.07055	0.9
82.05321	18.6
91.05479	24.5
93.07043	31.1
94.06566	3.0
94.07384	0.9
95.04974	21.2
95.06072	11.1
98.97575	0.7
103.05460	23.7
104.05038	0.8
104.05785	1.4
105.04527	6.5
105.07027	100.0
106.05273	0.8
106.06649	4.4
106.07893	5.4
107.04922	3.2
107.07334	51.2
119.08583	12.3
120.05621	0.9
120.08101	2.2
120.08897	1.1
121.02880	2.0
121.03993	1.1
121.06498	12.5
121.07612	3.6
121.08835	1.4
121.10139	39.5
122.06139	2.1
122.07153	71.6
122.09661	59.4
122.10433	2.9
122.95912	0.5
123.08068	13.7
124.08435	0.9
133.07599	5.2
134.99681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	0.7
53.03949	8.0
54.03469	9.7
55.01866	1.7
55.05514	3.8
56.12632	0.6
56.96557	1.9
65.03949	3.3
65.38936	0.5
65.46903	0.6
67.02990	1.8
67.05502	3.2
68.05040	3.4
69.49378	0.5
69.49731	5.1
70.06594	1.9
70.97187	0.5
77.03902	1.1
78.04706	1.2
79.05489	45.3
80.04999	1.0
80.05826	1.7
81.03422	1.3
81.04536	20.1
81.05776	2.2
81.07046	1.8
82.05318	22.3
91.05476	29.2
92.05796	0.9
93.04525	0.9
93.07038	36.5
94.06560	4.5
94.07377	1.6
95.04970	18.7
95.06074	10.8
103.05460	21.6
104.05814	1.7
105.04528	6.7
105.07023	100.0
106.04154	0.6
106.06606	5.1
106.07867	5.5
107.04944	3.0
107.07330	59.1
111.04461	0.6
119.08575	11.5
120.05642	1.2
120.08083	2.4
121.02850	2.2
121.03949	2.2
121.06513	14.6
121.07587	1.9
121.08820	1.8
121.10133	41.6
122.07147	86.9
122.09654	68.0
122.10420	2.3
123.08059	12.8
124.08296	0.7
130.43492	0.6
133.07579	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	0.9
53.03951	5.7
54.03470	1.1
55.01871	0.5
55.05502	1.3
65.03927	1.3
67.05503	0.8
69.87561	2.8
73.86829	0.5
77.03938	1.4
78.04779	0.5
79.05494	37.1
80.05817	1.1
81.03423	1.4
81.04538	2.0
81.07071	0.8
82.05338	1.3
91.05482	15.6
92.05806	1.2
93.07045	18.1
93.15490	0.5
94.07375	1.2
95.04969	14.6
95.06010	0.5
98.20795	0.8
103.04782	1.1
103.05471	20.0
104.05745	0.7
105.04564	2.8
105.07030	100.0
105.43616	0.5
106.06550	1.2
106.07259	1.6
106.07932	4.6
107.07340	13.3
117.07014	0.5
119.07811	0.5
119.08578	14.6
120.05680	0.5
120.08898	0.8
121.02874	0.9
121.04050	0.7
121.06513	17.7
121.10143	44.4
122.06060	1.3
122.07153	9.3
122.09670	15.4
122.10478	2.3
123.08067	12.7
124.08358	0.9
133.07628	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.36056	1.0
50.42357	1.0
53.03944	9.5
54.03474	10.4
55.01863	2.4
55.05507	8.7
56.96572	5.0
57.03432	1.4
58.02952	1.5
65.03940	6.1
67.02991	1.3
67.05505	40.5
68.05006	1.9
69.52310	1.2
70.06602	2.0
71.59940	1.5
77.03922	2.2
78.04734	1.3
79.05493	99.1
80.05010	1.6
80.05815	3.3
81.03427	1.4
81.04088	1.4
81.04539	20.0
81.07061	1.5
82.05315	14.7
85.93317	1.0
87.38145	1.0
91.04904	1.1
91.05477	35.5
92.05810	2.7
93.07043	100.0
94.06549	3.5
94.07369	4.2
95.04974	23.6
95.06040	5.9
98.04806	1.1
98.97558	1.7
103.05476	19.4
104.04960	1.4
105.03417	1.2
105.04514	5.4
105.07030	61.2
106.06535	2.5
106.07820	2.6
107.07336	43.2
111.04441	1.3
112.03989	1.0
119.08571	4.8
120.08081	1.3
121.02880	4.3
121.03964	2.5
121.05146	1.4
121.05780	1.7
121.06526	23.2
121.07475	1.4
121.10140	39.9
122.06055	8.5
122.07150	83.2
122.09661	58.7
122.10367	2.3
123.08066	6.7
129.51242	1.2
133.07646	3.1
134.99702	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02375	2.3
53.03940	14.0
54.03282	0.7
54.03473	7.8
55.01871	2.0
55.05494	2.9
56.96558	1.8
58.02953	1.0
61.27107	0.6
64.91076	0.7
65.03642	0.7
65.03915	4.1
67.02987	1.0
67.05492	3.2
68.05019	2.3
69.33265	7.9
70.06583	1.4
77.03926	4.1
78.04700	3.3
79.05486	45.0
80.05813	0.8
81.03423	5.7
81.04534	16.0
81.05787	1.1
81.07024	1.0
81.16689	0.7
82.05316	13.9
87.01275	0.6
91.05473	52.0
92.05800	1.9
93.07034	50.7
94.06562	3.2
94.07360	1.2
95.04961	36.8
95.06005	5.9
103.05463	25.1
104.05777	1.3
105.04527	8.2
105.07022	100.0
105.55750	0.7
106.06540	2.5
106.07898	4.9
107.04955	7.2
107.07325	23.6
107.08026	1.5
108.50687	1.0
119.08570	10.4
120.05606	0.9
120.08060	1.2
121.02884	1.3
121.04016	1.9
121.06496	83.7
121.10131	45.4
122.06159	2.1
122.07147	69.8
122.09650	24.8
122.10419	1.5
123.08060	13.2
133.07567	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
59.06117	3.2
65.03937	4.1
70.89362	1.9
72.95678	0.5
74.06090	0.7
77.03539	1.0
77.03938	0.7
78.04697	1.2
78.23380	0.6
79.05510	6.3
87.05547	0.8
91.05481	100.0
92.04993	1.2
92.05808	2.9
93.07047	5.9
95.04974	5.2
96.05315	0.9
103.05465	15.6
104.06261	12.1
105.04504	1.1
109.06507	2.0
115.05460	6.6
117.07021	37.0
118.07333	1.3
118.57996	0.6
119.04875	1.0
119.06190	2.9
119.08578	75.5
119.65512	0.6
120.04440	1.3
120.05624	3.1
120.08102	2.1
120.08900	2.2
121.06489	0.6
122.58095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.8
51.51505	0.6
53.03941	3.6
70.66443	1.5
70.66777	0.9
71.73858	0.7
77.03915	1.2
77.73262	0.7
79.05470	0.7
80.05015	1.0
91.05476	12.0
93.07042	15.3
94.06554	1.0
95.04972	8.5
102.04707	0.7
103.05466	100.0
104.05790	3.9
105.04511	1.2
118.06548	1.8
119.07315	1.4
120.08102	98.0
120.48818	0.6
121.08412	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
51.02388	0.9
53.03942	2.6
59.06126	5.2
60.04512	0.8
62.32220	0.5
65.03934	5.2
67.05517	0.9
68.15030	0.6
70.43680	1.9
78.04753	1.2
78.88876	0.5
79.05492	9.7
90.54658	0.5
91.05481	100.0
92.05819	2.3
93.07037	6.4
95.04975	5.0
96.05308	0.8
103.05469	11.9
104.05608	1.0
104.06252	13.7
105.04520	1.4
105.07067	0.8
107.66515	0.5
109.06526	1.4
115.05453	6.0
117.07016	21.6
119.06087	1.8
119.08580	99.1
120.05603	1.8
120.08114	1.4
120.08926	4.2
120.44595	0.5
121.06471	1.2
121.16633	0.5
131.06071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15419	0.5
51.02371	0.7
53.03933	2.2
56.05027	1.6
56.96560	0.7
59.06120	3.4
60.07713	0.6
65.03935	6.4
70.75735	1.0
70.76102	0.9
74.06075	1.4
77.03534	1.2
77.03938	0.7
79.05493	5.0
83.08546	0.5
87.05602	0.8
91.05478	100.0
92.04990	2.4
92.05817	2.7
93.04510	0.8
93.07045	4.4
95.04971	4.2
96.05289	1.7
102.05478	0.4
103.05463	12.5
104.06263	7.6
105.04523	0.8
109.06512	1.5
115.05446	4.1
117.07014	23.9
118.07336	1.3
119.04979	2.9
119.06115	5.1
119.06831	1.8
119.08573	48.8
120.04595	2.5
120.05607	5.9
120.08093	4.3
120.08923	2.1
121.06482	0.7
131.06097	0.6
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
51.02375	0.4
51.50692	0.3
53.03941	1.5
53.76373	0.4
54.04278	0.4
59.06118	0.5
59.83289	0.3
60.11172	0.3
65.03936	2.7
65.21477	0.4
65.26739	0.3
66.52512	0.3
67.05495	0.4
69.49803	3.0
72.10621	0.3
78.04701	0.8
79.05500	3.8
91.05479	100.0
92.04985	0.5
92.05807	2.0
93.07037	2.9
95.04967	3.6
96.05299	1.3
103.05466	7.6
104.06247	8.0
105.04536	0.8
109.06499	0.7
115.05448	3.3
117.07012	11.5
119.06123	0.6
119.06852	1.6
119.08578	42.9
120.04423	0.5
120.05580	0.8
120.08099	1.0
120.08914	1.4
121.06509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
54.04283	0.6
56.05037	0.9
56.96577	0.9
58.06606	0.6
59.06124	3.7
61.67010	0.4
65.03938	9.1
66.37225	0.4
67.05493	0.5
67.19755	0.4
70.58773	1.4
77.03513	1.3
77.03931	0.6
78.04687	0.7
78.93138	0.8
79.02969	0.5
79.05493	5.4
87.05598	0.6
91.05479	100.0
92.05004	14.1
92.05811	2.9
93.04523	1.4
93.07040	4.0
95.04971	4.0
96.04504	0.4
96.05280	2.1
103.05459	9.6
104.06261	8.7
105.04506	1.0
109.06499	1.9
110.06071	0.6
115.05441	3.7
117.07014	18.3
117.07848	1.0
118.07334	0.6
119.04980	3.2
119.06055	3.6
119.06853	2.6
119.08572	55.5
120.04462	8.2
120.05566	4.8
120.08087	3.3
120.08938	2.3
121.06451	0.8
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	1.2
54.04285	0.5
55.91307	0.3
65.03944	2.9
70.68205	0.8
78.04712	1.1
79.05490	4.3
81.31044	0.4
91.05479	100.0
92.05807	3.0
93.07030	2.9
95.04963	2.7
96.05312	1.2
102.04675	0.5
103.05463	5.9
104.06242	6.7
105.04503	0.4
109.06532	0.7
115.05447	3.1
117.07017	13.7
118.96076	0.3
119.06839	1.6
119.08579	42.0
119.62417	0.3
120.05592	0.3
120.08883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03948	2.2
56.96568	1.1
59.06124	2.6
65.03953	3.5
65.99780	0.7
67.05506	0.7
69.70393	2.4
69.70814	1.4
74.06068	1.4
76.87293	0.6
77.03535	0.8
78.04711	1.1
79.05482	5.5
91.05480	100.0
92.04993	1.2
92.05809	2.7
93.07048	4.6
95.04972	4.9
96.05315	1.1
98.20735	0.9
103.05479	12.9
104.06252	9.9
109.06500	1.5
110.06018	0.6
115.05457	7.2
117.07016	33.6
118.07352	1.8
119.04956	2.0
119.06049	2.3
119.08578	66.2
120.04461	1.0
120.05589	3.1
120.08090	3.3
120.08926	3.0
121.06492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97160	0.4
51.97424	0.4
53.03951	2.9
53.65700	0.4
54.04279	0.5
56.96560	0.6
59.06116	1.2
65.03943	4.6
67.05529	0.6
74.06079	0.5
77.03529	1.1
78.04720	1.1
79.05494	6.9
91.05483	100.0
92.04996	1.2
92.05828	3.0
93.07047	5.8
95.04970	5.1
96.05289	0.8
103.05474	13.0
104.05603	0.7
104.06255	11.1
105.04521	0.9
109.06521	2.1
109.59677	0.4
112.61856	0.5
115.05451	5.4
117.07022	26.5
118.07360	0.6
119.06067	1.9
119.08582	75.3
120.04466	1.0
120.05624	2.1
120.08105	1.1
120.08923	2.8
121.06480	0.6
131.06032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03939	0.8
54.01114	0.5
56.05038	2.7
56.96555	1.3
58.06586	1.1
59.06123	23.8
59.06907	0.7
60.04527	6.1
60.06450	0.4
60.07709	0.7
61.02924	0.9
62.06091	0.5
65.03938	13.8
69.66354	2.3
69.66763	0.9
74.06070	4.4
75.05613	0.9
76.04018	0.5
77.03490	0.5
78.93108	0.7
79.02956	0.8
79.05486	2.7
84.04517	0.6
85.07668	0.5
87.05589	4.6
91.05479	100.0
92.05000	3.3
92.05811	3.8
93.04523	2.2
93.07047	3.2
95.04971	1.9
96.05328	0.5
98.21552	1.0
101.07142	0.8
102.05531	0.6
103.05463	13.7
104.06252	1.9
105.04504	0.6
109.06508	0.8
115.05460	1.0
117.07024	3.7
119.04948	18.6
119.06057	5.5
119.06900	1.6
119.08563	13.0
120.04477	2.3
120.05573	9.2
120.08111	16.4
120.08887	0.6
121.04031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.45974	0.7
51.60696	0.6
56.05022	1.6
56.96563	7.4
57.03436	0.9
58.06587	0.7
59.06126	2.2
60.04528	0.9
65.03937	14.7
70.21995	0.6
71.04996	0.8
71.58220	0.7
71.87914	0.8
73.08509	0.8
73.79433	0.7
74.06068	2.4
83.00786	0.7
84.04488	1.8
91.05479	100.0
92.02493	1.4
92.05806	3.7
97.02885	0.9
98.01279	0.8
103.05424	1.4
107.33646	0.7
116.98615	1.0
119.01888	2.7
119.03592	7.8
119.04934	19.3
119.09028	1.5
120.08107	1.4
134.99648	0.8
137.02957	1.7
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
50.01675	0.3
51.02411	0.3
51.64635	0.3
53.03964	0.7
56.05054	1.2
56.96585	0.9
58.06612	0.5
59.06124	11.5
59.07410	0.4
60.04513	2.0
60.07736	0.3
61.02937	0.5
63.02398	0.5
63.88750	0.3
65.03940	16.5
66.03491	0.5
71.24463	0.8
72.04530	0.6
74.06087	2.2
74.98226	0.3
76.04025	0.3
77.03529	0.4
77.93425	0.4
78.02502	0.3
78.04707	0.3
78.59576	0.3
79.03001	0.4
79.05495	2.0
87.05597	2.3
91.05480	100.0
92.04998	2.5
92.05805	2.9
92.06278	0.5
93.04508	0.9
93.07023	2.2
95.04980	1.8
96.05285	0.6
103.05472	7.6
104.04949	0.5
104.06266	1.7
109.06514	0.5
110.06010	0.3
115.05464	0.8
117.07024	3.7
118.06546	6.4
119.04915	22.9
119.06017	4.0
119.06808	1.4
119.07318	1.6
119.08559	13.3
120.04439	1.7
120.05538	5.8
120.08109	7.7
120.08922	0.5
121.03999	0.5
126.26970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45974	0.7
51.60696	0.6
56.05022	1.6
56.96563	7.4
57.03436	0.9
58.06587	0.7
59.06126	2.2
60.04528	0.9
65.03937	14.7
70.21995	0.6
71.04996	0.8
71.58220	0.7
71.87914	0.8
73.08509	0.8
73.79433	0.7
74.06068	2.4
83.00786	0.7
84.04488	1.8
91.05479	100.0
92.02493	1.4
92.05806	3.7
97.02885	0.9
98.01279	0.8
103.05424	1.4
107.33646	0.7
116.98615	1.0
119.01888	2.7
119.03592	7.8
119.04934	19.3
119.09028	1.5
120.08107	1.4
134.99648	0.8
137.02957	1.7
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
52.80722	0.6
59.06115	1.7
65.03602	1.1
65.03942	21.0
70.46152	2.0
70.46497	0.8
79.67130	0.7
84.69565	0.6
91.05482	100.0
92.05792	3.7
93.04531	1.6
95.04973	1.0
104.06262	0.7
117.07027	1.1
119.04947	28.3
119.06013	1.7
119.08579	2.6
120.04442	0.7
120.05478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04821	0.8
56.05043	8.4
56.96564	7.5
58.02014	0.7
58.02953	1.2
58.06602	6.9
59.06124	43.7
59.06927	3.0
59.07371	2.4
60.04526	32.5
60.07726	2.0
61.02917	3.7
62.06078	3.7
63.01897	0.9
65.03940	6.6
67.02986	4.1
67.05482	0.9
69.03451	0.9
70.16177	4.2
72.04507	2.3
72.06878	1.5
73.05283	1.0
73.08475	1.1
74.06080	12.0
75.05585	1.7
76.03982	1.4
77.93384	1.4
78.93109	1.9
79.05488	2.3
83.06117	1.3
84.04526	4.2
84.08123	1.3
85.07641	1.0
87.05602	5.6
91.05480	100.0
92.02483	10.7
92.05018	5.3
92.05815	3.1
93.04546	2.3
93.07053	1.6
95.04974	1.3
100.22347	0.8
101.07117	6.1
102.05534	2.6
102.09193	2.1
103.05473	10.4
104.06302	0.9
109.06523	1.2
110.06087	1.4
112.07600	1.1
113.33070	0.9
116.05486	1.0
116.98652	0.9
117.07034	2.9
119.03552	57.5
119.04919	2.6
119.06062	9.3
119.08447	6.3
120.03199	1.6
120.04512	2.4
120.05596	11.3
120.08097	11.3
134.99625	1.0
137.04578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05511	2.6
55.07195	0.2
56.05046	0.2
57.05808	0.4
58.06596	36.3
59.05015	0.3
59.07379	36.8
60.07705	0.4
69.61789	1.6
70.06590	0.6
72.08151	14.8
73.08483	0.5
74.06081	0.3
82.06631	0.2
86.06044	0.2
98.21722	0.2
100.07629	0.2
101.63799	0.2
116.96473	0.2
118.08648	100.0
119.08986	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.4
56.96569	6.3
59.06124	12.7
65.03944	4.6
67.05515	22.4
70.57261	8.4
70.57620	9.7
77.00888	3.8
78.95257	5.1
79.05508	5.3
80.02961	6.9
80.06274	8.5
80.36294	4.1
81.07078	7.1
86.52820	3.6
89.03476	7.1
91.05464	21.7
93.07063	4.4
95.04942	5.4
100.02480	5.8
101.00874	12.1
103.02475	22.0
107.05254	20.4
116.05779	19.9
119.01923	100.0
120.02008	8.1
121.03499	22.1
129.03996	8.8
129.46826	3.6
131.86481	4.6
137.02953	73.0
138.03032	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05499	3.1
56.05026	3.8
56.96553	2.9
58.02951	4.4
58.06602	12.9
59.06123	13.8
59.07385	9.4
59.93108	1.1
60.04522	6.8
60.06441	1.6
65.03928	1.6
70.06576	1.1
71.21353	2.6
72.04524	8.3
72.08162	13.8
74.06079	2.4
75.05602	2.0
75.72900	1.1
76.03986	1.3
76.93371	8.1
89.55475	1.1
91.05482	56.2
94.94407	2.9
95.04971	3.5
100.03957	2.3
103.34770	1.2
109.85745	1.1
117.05779	4.8
118.06547	100.0
118.08656	25.4
119.06091	2.7
119.06874	4.7
119.50870	1.0
122.29456	1.0
135.97032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02390	5.5
53.03702	2.1
53.03948	37.2
55.01862	2.5
56.96556	1.2
58.06600	18.3
59.06118	3.6
59.07382	17.2
59.93109	1.6
65.03924	3.6
67.05528	1.2
70.18821	1.0
71.59457	1.2
71.59834	1.3
72.08145	4.2
74.93963	1.1
76.93375	10.3
77.03925	6.1
79.05495	5.6
81.03414	3.0
83.52377	1.1
88.10279	1.0
91.05476	100.0
92.05814	3.1
92.52860	1.9
93.07037	5.1
94.94401	4.8
95.04964	87.3
96.05279	1.2
103.05462	6.0
104.06228	6.5
105.04521	16.2
107.51693	1.0
109.06543	1.5
115.05473	4.5
116.05789	6.9
117.07009	17.5
117.95996	1.5
118.06549	62.9
118.07335	6.9
118.08646	41.8
119.04944	2.1
119.06072	4.5
119.06828	1.9
119.08569	48.8
135.97072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02371	6.4
51.31743	1.2
53.03702	2.7
53.03946	47.8
55.01859	2.1
58.06598	2.9
59.07384	2.7
70.34700	5.7
72.08146	8.4
76.93359	4.9
77.03939	7.8
81.03416	4.7
91.05482	51.2
92.05804	2.4
94.94431	2.9
95.04965	100.0
95.51805	1.5
96.05283	2.3
103.05470	2.3
104.06226	1.9
105.04506	22.8
115.05450	1.9
116.05804	2.8
117.07034	5.7
117.95959	1.5
118.06545	77.2
118.07285	3.8
118.08645	6.9
119.04951	1.5
119.06108	2.5
119.06900	3.6
119.08566	17.5
130.36958	1.5
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	4-Ethynylaniline
Peak:m/z	Relative Intensity
55.05516	1.1
56.05027	2.1
56.96556	1.0
58.02952	1.3
58.06601	6.6
59.06124	6.9
59.07384	4.1
60.04508	3.7
65.03944	1.0
66.35730	0.8
70.06602	0.8
70.98856	1.0
70.99199	1.6
72.04522	4.2
72.08160	6.2
74.06052	0.8
75.05608	1.1
76.93369	5.0
91.05486	51.3
92.05818	2.1
94.94389	1.3
95.04967	1.5
96.08764	0.9
117.05746	7.2
118.06546	100.0
118.08648	13.4
119.06087	2.4
119.06895	3.5
121.36666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.26366	1.2
51.02366	4.6
53.03951	28.9
58.06596	1.7
59.07392	1.7
65.03923	2.9
70.12700	3.7
70.13094	2.1
72.08146	5.5
76.93369	14.5
77.03928	4.4
79.05481	3.3
81.03404	3.5
82.36538	1.4
91.05481	100.0
92.52882	2.0
93.07041	3.8
94.94409	3.7
95.04968	67.7
96.05257	1.3
103.05455	4.4
104.06257	6.7
105.04525	13.4
109.06535	1.3
114.99519	1.2
115.05483	2.8
115.47754	1.3
117.07014	12.2
117.95963	1.8
118.06545	53.2
118.07298	2.3
118.08649	8.7
119.05019	1.5
119.06060	2.8
119.06836	3.1
119.08577	37.7
139.79556	1.2
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
51.02373	2.9
53.03943	29.6
55.05499	6.9
56.15560	3.0
57.27837	2.6
58.06600	41.9
59.07156	2.8
59.07386	31.9
65.03946	4.3
67.71500	3.3
69.02486	3.5
70.87743	2.7
71.59999	4.4
71.64211	3.3
72.08157	27.6
76.93357	11.4
77.03915	3.5
88.78645	3.3
91.05480	100.0
92.52895	3.4
94.94424	7.7
95.04970	68.9
105.04529	14.4
117.07003	9.0
118.06536	58.1
118.08654	83.1
119.04951	5.1
119.06064	10.0
119.08546	25.0
125.79070	3.9
138.02737	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01588	1.1
51.02374	4.2
53.03705	1.5
53.03947	28.0
55.01859	2.2
55.05515	1.4
56.96566	2.7
58.06603	1.9
59.07347	1.9
59.93089	2.0
60.48439	1.2
65.03930	2.5
70.79528	3.4
72.08166	10.1
76.93369	9.9
77.03935	4.4
79.05491	4.3
79.52723	1.2
81.03409	3.3
83.52368	1.5
91.05482	100.0
93.07018	2.6
94.94389	4.5
95.04967	60.4
96.05310	2.2
103.05457	5.4
104.06233	5.4
105.04525	12.8
115.05476	1.9
116.05787	1.7
117.07011	14.0
117.96003	1.6
118.06542	47.2
118.08677	2.7
119.04907	1.3
119.06094	2.7
119.06874	1.4
119.08582	38.5
135.97005	1.5
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	3H-Indole
Peak:m/z	Relative Intensity
50.01591	0.9
51.02373	2.5
53.03704	1.3
53.03948	22.5
55.01862	2.5
55.05504	2.1
56.96550	2.2
57.90343	0.7
58.06591	9.2
59.06124	2.3
59.07150	0.8
59.07383	8.4
59.93114	1.7
60.00724	0.8
65.03936	4.5
68.71904	0.8
69.54944	6.9
70.06587	0.8
72.08152	11.5
76.93367	13.5
77.03523	1.9
77.03926	3.8
79.05500	3.8
81.03398	1.1
83.49723	0.8
91.05479	100.0
92.05817	1.2
93.07042	2.2
94.94408	6.3
95.01633	0.9
95.04967	53.4
96.05265	1.1
98.21505	1.7
103.05437	4.9
104.06245	5.7
105.04507	10.3
109.06528	0.8
112.95450	3.3
115.05430	1.7
116.05779	1.1
117.05792	2.0
117.07012	11.2
117.95980	2.3
118.06544	72.7
118.07268	2.9
118.08646	22.8
119.04955	2.1
119.06047	2.7
119.06861	2.3
119.08570	31.6
121.06498	0.8
134.01270	0.8
135.97014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03339	0.8
81.06973	4.1
83.08558	0.4
85.02888	1.1
91.05475	2.8
93.07038	2.8
95.04871	0.7
95.08606	2.7
97.02805	0.9
97.10091	0.3
103.05382	0.3
105.07024	1.4
107.08601	1.5
109.02781	0.6
109.10150	1.7
115.05379	0.5
117.06929	0.6
119.08578	1.0
121.10127	1.1
123.11604	0.3
127.03866	0.4
128.06146	0.4
129.06940	0.5
131.04909	0.3
131.08472	0.8
133.10051	0.6
135.11603	0.6
139.03853	0.5
143.04785	0.2
143.08478	0.2
145.06464	0.3
145.09973	0.2
147.04352	0.3
147.11549	0.3
153.01820	19.2
157.06360	0.6
157.09979	0.2
159.04388	0.3
159.07950	0.3
159.11525	0.2
161.05904	0.6
163.03883	0.4
167.08519	0.3
169.06400	0.3
171.02757	0.6
171.04286	0.4
171.07951	0.2
173.05910	0.7
175.03816	0.6
177.05409	0.3
179.03285	0.3
181.06339	0.4
183.04355	0.3
185.02318	0.4
185.05888	0.6
187.03922	1.2
187.07434	0.3
188.04701	0.2
189.01767	0.4
189.05443	1.0
195.07852	0.2
197.05890	0.8
199.03856	0.3
199.07452	0.3
200.04549	0.2
201.01781	0.3
201.05455	1.4
203.03334	0.5
209.05954	0.4
211.03825	0.3
213.01863	2.1
213.05432	2.4
213.08842	0.2
214.06216	1.5
215.06955	0.6
225.05450	0.5
226.06117	0.4
227.03288	0.8
227.06999	0.8
229.04959	1.1
237.05391	0.3
239.03391	2.4
240.04134	0.2
241.04883	1.1
241.08487	0.3
243.02800	0.4
243.06401	0.6
247.02570	0.2
251.06891	0.4
253.04980	1.1
254.05690	0.4
255.02791	0.8
255.06650	0.5
257.04343	0.6
263.06949	0.4
265.05060	0.4
267.02808	0.3
267.06476	0.9
269.04456	5.1
271.05829	0.3
273.03955	0.6
277.05005	1.2
279.06525	0.4
281.04382	1.1
282.05133	0.4
283.05960	0.9
285.03958	0.4
291.06500	1.5
293.04346	0.6
294.05139	0.4
295.05945	1.2
297.03876	1.5
297.14847	2.0
298.04614	0.4
299.05402	0.5
301.03146	0.2
302.04227	0.8
305.04538	1.5
307.06024	0.3
309.03809	0.9
309.07434	0.5
310.04691	0.7
311.05450	5.3
312.06030	0.3
313.03427	3.3
314.04019	0.5
315.04904	0.6
319.06009	6.7
319.09421	0.2
320.06290	0.3
321.03754	0.3
322.04663	0.2
323.05551	1.9
324.06235	0.4
325.03445	0.7
325.14273	0.3
326.04025	0.7
326.07507	0.2
327.04987	3.5
331.06000	0.3
335.05487	1.0
335.25803	11.2
337.03336	4.6
337.07080	1.4
338.04025	0.6
339.04977	14.6
340.05563	0.7
341.06570	0.7
347.05453	5.8
348.06259	0.6
349.07007	0.6
350.04153	2.1
351.04919	2.2
353.02716	0.3
353.06537	2.1
361.07004	0.6
364.05597	0.5
365.06522	6.3
366.07291	5.2
367.07980	0.7
377.06686	0.3
379.08182	1.0
391.08090	0.5
435.14343	0.9
449.15948	19.2
450.16211	0.4
453.43240	0.2
459.14349	2.0
467.17038	0.6
477.15430	100.0
478.15787	3.3
487.13657	0.3
495.16486	20.3
496.16833	1.0
501.15665	0.4
513.17389	0.8
515.16541	0.4
519.16498	0.3
533.18298	0.7
550.38196	0.2
551.19135	12.3
552.19629	0.4
569.20099	8.3
570.20203	0.3
585.17706	0.8
587.21320	1.5
603.18805	1.2
621.19299	1.4
639.20691	3.0
657.21753	3.8
658.22363	0.3
695.23407	0.3
713.24249	0.7
731.25336	1.8
811.40485	12.5
812.40918	0.7
829.41528	41.5
830.41754	2.1
847.42584	11.2
848.42773	0.8
955.45142	0.3
973.45850	1.7
991.46936	8.1
992.47052	0.7
1009.48523	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	0.6
81.07049	3.9
83.04912	0.3
83.08554	0.4
85.02901	1.3
91.05481	2.5
92.37801	0.2
93.07046	2.6
95.04865	0.6
95.08594	3.1
97.02905	1.2
97.06440	0.2
98.20644	0.6
103.05416	0.2
105.04397	0.3
105.07027	1.4
107.08562	1.4
109.02774	0.4
109.10136	1.6
111.00730	0.2
117.06924	0.7
119.08482	0.7
121.10153	1.3
121.10856	0.3
123.11588	0.2
127.03824	0.4
129.06932	0.5
130.33685	0.2
131.08507	0.6
133.10049	0.7
135.11618	0.5
139.03844	0.5
141.06898	0.4
143.04872	0.3
143.08478	0.3
145.06404	0.6
145.10001	0.3
147.04333	0.5
151.63986	0.2
153.01819	17.4
154.02003	0.3
157.06349	0.5
163.03802	0.7
165.06895	0.2
169.06410	0.4
171.02885	0.4
171.04289	0.3
173.05896	0.4
175.03809	0.6
183.04292	0.5
185.05908	1.0
187.03889	1.1
187.07404	0.4
187.14580	0.2
189.05319	0.7
192.04044	0.3
197.05887	0.5
199.03720	0.3
199.07440	0.4
201.05466	1.0
203.03342	0.3
213.01823	1.7
213.05415	2.1
214.06223	1.4
214.56555	0.2
215.03352	0.3
215.06929	0.6
217.04800	0.3
219.02754	0.4
221.06148	0.2
225.05322	0.3
226.06197	0.3
227.03300	0.8
227.06871	1.0
229.04808	0.9
230.67577	0.3
231.02748	0.3
237.05458	0.4
239.03322	2.0
239.06972	0.3
241.04968	1.4
241.08627	0.4
242.87129	0.3
243.02704	0.5
243.06395	0.4
247.07379	0.2
249.05411	0.3
251.06992	0.4
251.10349	0.2
253.04887	0.9
254.05614	0.3
255.02725	0.8
255.06444	0.6
257.04324	0.5
263.06967	0.2
265.04971	0.3
267.02759	0.6
267.06451	0.8
269.04410	4.2
271.06125	0.4
273.03845	0.4
277.04956	1.2
279.06509	0.5
281.04379	0.9
281.07922	0.3
281.11469	0.2
282.05209	0.3
283.05887	0.7
285.03763	0.3
291.06537	1.2
293.04443	0.5
294.05026	0.4
295.06036	1.5
297.03790	1.3
297.14752	1.8
298.04587	0.4
299.05392	0.3
302.04199	0.8
305.04410	1.2
307.05841	0.3
309.03818	0.7
309.07324	0.5
310.04611	0.8
311.05466	4.8
313.03375	3.1
314.04254	0.4
315.04932	0.3
319.06018	5.4
321.07602	0.4
322.04556	0.3
323.05447	2.1
324.05997	0.3
325.03271	0.5
325.14203	0.4
326.04114	0.7
327.04980	3.4
331.06183	0.2
335.05472	0.6
335.25790	10.2
337.03333	4.5
337.07068	1.2
338.04193	0.4
339.04984	13.9
340.05740	0.8
341.06528	0.6
347.05438	5.8
348.06097	0.3
349.07184	0.5
350.04147	2.3
351.05035	2.1
352.05640	0.3
353.06467	2.1
361.06882	0.4
363.04739	0.2
364.05692	0.5
365.06555	5.8
365.13525	0.4
366.07330	5.4
367.07990	0.7
376.05695	0.3
377.06400	0.3
379.08069	1.5
389.06573	0.3
407.14825	0.3
421.16733	0.2
435.14426	0.9
441.13583	0.3
449.15930	18.3
450.16150	0.3
459.14313	1.7
467.17014	0.6
477.15427	100.0
478.15659	2.1
479.16983	0.3
487.13580	0.4
495.16495	20.8
496.17157	0.3
513.17548	0.5
515.17444	0.4
519.16632	0.4
533.18018	0.7
551.19037	11.3
569.20154	8.4
585.17004	0.5
587.21307	0.8
603.18713	0.8
621.19537	1.5
639.20880	2.7
657.21655	3.3
713.24689	0.6
731.25189	1.8
811.40479	13.8
829.41516	38.1
830.41583	0.8
847.42627	10.6
848.42194	0.4
955.43848	0.3
964.68927	0.3
973.45898	1.6
991.46869	8.5
1009.47833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.0
53.03941	7.5
58.06585	1.7
59.06111	2.9
59.07376	1.1
69.50869	6.4
69.74592	0.7
71.06929	0.9
75.05598	1.7
76.93346	1.3
78.04702	0.9
91.05478	50.6
92.05826	1.8
95.04964	16.6
105.04507	3.2
115.05451	85.8
116.05709	2.6
116.06319	2.5
116.87755	0.8
117.07015	100.0
118.06533	11.0
118.07352	3.7
118.08626	4.3
121.86359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02377	1.6
53.03951	8.8
54.90141	1.0
58.06590	2.1
59.06104	3.8
59.07370	2.3
59.93095	1.5
69.03420	1.2
69.40265	1.0
69.40557	11.1
69.86698	1.0
71.06915	1.5
72.04498	1.9
72.08147	3.6
75.05595	6.0
76.93378	7.6
77.03925	2.0
81.03445	1.2
91.05479	52.0
94.94391	2.4
95.04960	23.4
100.07536	1.1
100.85069	1.0
105.04526	4.3
113.46915	1.0
115.05453	92.8
115.30711	1.2
116.06309	3.0
116.76943	1.1
117.07018	100.0
118.06550	19.5
118.07353	4.3
118.08636	6.1
118.96825	1.0
135.97008	1.3
137.39139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02354	1.0
53.03941	7.5
58.06585	1.7
59.06111	2.9
59.07376	1.1
69.50869	6.4
69.74592	0.7
71.06929	0.9
75.05598	1.7
76.93346	1.3
78.04702	0.9
91.05478	50.6
92.05826	1.8
95.04964	16.6
105.04507	3.2
115.05451	85.8
116.05709	2.6
116.06319	2.5
116.87755	0.8
117.07015	100.0
118.06533	11.0
118.07352	3.7
118.08626	4.3
121.86359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05517	0.5
56.05031	1.6
56.55618	0.2
56.56903	0.2
56.96567	2.6
57.04561	2.3
57.93566	1.3
58.02966	0.9
58.06597	0.7
59.06123	5.0
60.04534	1.2
60.09892	0.2
63.02381	1.1
65.03940	1.7
68.05032	0.6
69.03427	0.7
70.06592	100.0
70.73102	0.3
70.73426	0.7
71.04990	0.8
71.06917	1.9
72.04517	0.7
72.08163	0.6
73.07684	0.3
74.06080	1.0
74.93829	9.6
75.05604	4.1
76.04007	0.7
76.07659	0.5
79.05511	0.5
81.03410	0.3
84.04526	0.6
88.01862	0.3
88.07630	0.8
89.03918	28.3
90.02113	0.3
90.03460	0.8
90.04269	1.0
91.05479	0.8
92.94872	4.0
93.03706	0.5
98.06035	0.6
99.04473	0.3
99.05582	0.9
103.02929	0.4
110.95919	1.6
115.05448	2.4
115.96440	1.2
116.04980	55.0
116.07078	8.9
116.10695	0.5
116.97230	0.5
117.05289	2.0
117.07085	1.8
117.10303	0.7
123.46085	0.2
130.02895	0.2
133.97481	0.9
134.06017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
56.05025	3.3
56.96574	0.8
59.04996	0.6
62.46997	0.6
63.02368	1.1
65.03933	2.0
69.03445	1.0
69.07072	3.5
70.06596	8.6
70.96658	1.2
73.06548	0.9
73.07684	4.7
74.06056	0.6
74.12788	0.7
74.93817	3.0
87.04486	1.6
89.03920	6.4
90.53258	0.6
92.94860	0.8
97.07697	0.9
98.06029	0.8
115.05457	100.0
116.05745	2.5
116.06324	1.8
116.07062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	4.0
56.96567	1.4
59.05001	1.9
63.74263	0.7
65.03946	1.9
67.46437	0.7
69.03422	1.0
69.07063	1.7
70.06588	13.9
70.07212	3.6
73.07680	5.9
74.93810	5.4
83.10798	0.7
89.03921	6.7
90.29587	0.7
92.94872	1.6
97.07652	1.2
115.03925	3.3
115.05451	100.0
115.09534	0.9
115.96448	1.9
116.05778	2.5
116.06373	1.0
116.07061	1.7
123.12593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	3.9
81.03381	0.3
81.07052	5.2
83.08570	0.4
85.02842	0.5
89.48553	0.2
90.33198	0.2
91.05475	2.5
93.07042	3.5
95.04884	0.9
95.08605	3.0
97.02879	1.8
97.06464	0.4
105.07045	1.3
107.08600	1.5
107.69249	0.2
109.06431	0.3
109.10150	1.5
111.00743	0.4
113.35923	0.2
115.03856	0.6
115.05379	0.5
116.15644	0.2
117.06951	0.4
119.08561	1.1
121.10170	1.4
128.06123	0.2
129.06996	0.4
131.04837	0.3
131.08459	0.8
133.10031	0.6
135.11642	0.6
139.03827	0.6
143.04857	0.4
145.06375	0.6
145.10020	0.3
147.04395	0.2
153.01826	17.9
157.06395	0.6
159.04376	0.5
161.05875	0.7
163.03772	0.6
167.71725	0.2
168.05582	0.3
169.06416	0.3
171.02750	0.3
171.04185	0.3
173.05901	0.9
175.03780	0.4
175.07349	0.3
179.03317	0.2
181.06343	0.3
185.02299	0.3
185.05870	0.7
187.03899	1.6
187.07520	0.3
187.23465	0.2
189.01749	0.3
189.05417	0.9
197.05927	0.5
199.07481	0.4
201.05536	1.2
203.03433	0.4
209.05873	0.3
211.03969	0.5
213.01865	1.9
213.05418	1.8
214.06181	1.6
215.03326	0.5
215.06883	0.4
217.04855	0.2
219.02736	0.4
225.05345	0.3
226.06302	0.3
227.03319	0.9
227.06960	0.9
229.04915	0.9
229.08704	0.3
230.46417	0.2
237.05501	0.3
239.03407	2.3
239.07050	0.3
241.04964	1.4
241.08592	0.4
243.02873	0.5
251.07008	0.3
253.04889	0.8
255.02821	0.9
255.06468	0.6
265.04977	0.4
267.02811	0.4
267.06491	1.1
269.04459	5.1
269.07458	0.4
273.03717	0.3
277.04922	0.8
281.04419	1.2
282.05197	0.4
283.05908	0.9
285.03882	0.5
291.06577	1.0
293.04437	0.6
293.07916	0.3
294.05292	0.3
295.05936	1.3
297.04022	1.9
297.14804	2.1
298.04645	0.6
299.05276	0.4
302.04153	0.9
303.05524	0.2
305.04630	1.5
307.06213	0.5
309.03842	1.0
309.07217	0.4
310.04718	0.4
311.05505	4.8
313.03391	3.2
314.04019	0.8
315.04993	0.5
319.02301	0.5
319.06006	6.7
319.09683	0.5
321.03735	0.4
323.05508	1.5
324.06256	0.4
324.28525	0.3
325.03455	0.7
326.03958	0.8
327.04980	3.8
329.03055	0.3
335.05472	1.0
335.25800	11.0
336.26065	0.4
337.03342	3.8
337.07053	1.3
338.04312	0.4
339.04968	16.1
340.05673	1.0
341.06430	0.9
347.05511	5.6
348.05939	0.5
349.07068	0.6
350.04181	2.5
351.05078	2.1
352.06052	0.3
353.06558	2.0
361.07294	0.5
364.05804	0.8
365.06577	6.4
365.13467	0.3
366.03131	0.4
366.07318	5.3
367.08020	0.7
377.06516	0.6
379.08109	1.0
391.08066	0.3
431.14902	0.4
433.16910	0.3
435.14349	0.7
449.15948	17.7
450.16345	0.6
459.14554	1.8
467.17184	1.2
477.15445	100.0
478.15759	3.4
479.16953	0.4
487.13681	0.3
495.16501	22.9
496.16928	0.6
513.17639	1.4
515.16589	0.5
527.17072	0.3
533.18005	0.8
551.19098	9.3
569.20184	9.2
573.17639	0.6
587.21063	1.7
591.18640	1.2
609.19525	1.6
627.20746	3.8
683.23499	0.8
701.24426	2.5
811.40454	13.1
812.40399	0.5
829.41522	46.7
830.41241	2.2
847.42572	18.2
848.42419	0.7
943.44543	1.4
961.26959	0.5
961.45831	8.8
962.45825	0.4
979.46539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	4.3
79.05898	0.3
81.07056	5.6
83.04919	0.2
83.08566	0.5
85.02841	0.5
91.05477	3.0
93.07041	4.5
95.04872	0.8
95.08601	3.8
97.02882	2.1
97.10118	0.4
103.05384	0.4
105.07027	1.6
107.08585	2.2
108.83100	0.3
109.06463	0.3
109.10143	1.6
109.11225	0.2
111.00724	0.4
115.03829	0.7
115.05373	0.5
117.07016	1.1
119.04848	0.4
119.08588	1.3
121.02830	0.2
121.10110	1.2
123.04391	0.3
123.08017	0.3
123.11625	0.5
123.53033	0.2
129.06923	0.4
129.76375	0.2
131.04854	0.3
131.08609	1.0
133.06383	0.3
133.10127	1.0
135.11597	0.8
139.03841	0.7
141.06860	0.3
145.06393	0.5
145.10016	0.4
147.04370	0.5
147.11598	0.5
149.13211	0.3
153.01823	19.5
153.06900	0.2
154.02092	0.3
155.04781	0.2
155.06061	0.2
157.06393	0.6
159.04408	0.4
159.08054	0.2
159.11629	0.3
161.05959	0.4
163.03830	0.3
165.06902	0.2
169.06386	0.3
171.02827	0.7
173.05894	0.6
173.13193	0.2
175.03821	0.6
175.07631	0.2
179.03291	0.2
183.04231	0.3
185.02261	0.2
185.05856	0.9
187.03847	1.2
188.04715	0.4
189.01775	0.4
189.05457	1.0
197.05870	0.4
199.03705	0.3
199.07498	0.4
200.04581	0.3
201.05490	1.3
203.03304	0.5
203.06947	0.3
207.02701	0.2
209.05865	0.3
211.03810	0.5
213.01817	1.6
213.05429	1.7
214.06171	1.3
215.03343	0.4
215.06894	0.4
217.04828	0.6
223.07405	0.3
225.05389	0.6
226.06062	0.3
227.03239	0.7
227.06921	1.0
229.04869	0.9
237.05449	0.3
239.03317	2.0
239.06976	0.5
240.03943	0.4
240.07784	0.3
241.04883	1.1
241.08542	0.4
242.05695	0.3
243.02701	0.3
243.06502	0.6
247.12572	0.2
251.06822	0.4
253.04872	0.9
254.05643	0.3
255.02939	1.0
255.06410	0.6
255.10112	0.2
257.04440	0.5
263.07028	0.3
267.03159	0.3
267.06479	0.9
267.09180	0.2
269.04443	5.1
269.07602	0.4
271.05823	0.3
273.03885	0.4
277.04910	0.8
279.06442	0.4
281.04294	1.1
281.07516	0.2
281.11566	0.2
282.04935	0.3
283.05884	0.9
285.03925	0.4
287.05307	0.3
291.06482	1.0
293.04449	0.4
293.07877	0.2
294.05142	0.4
295.06046	1.2
297.04004	1.3
297.14804	1.6
298.04660	0.5
299.05551	0.4
302.04123	0.6
305.04547	1.5
307.05930	0.3
309.03958	0.6
309.07434	0.5
310.04605	0.8
311.05502	5.8
313.03369	2.6
314.04083	0.6
315.04953	1.0
319.06006	6.5
320.06180	0.3
322.04837	0.3
323.05438	1.9
324.06430	0.3
325.03357	0.6
325.06821	0.4
326.04150	0.7
327.04999	5.4
333.07693	0.2
335.05426	0.7
335.25781	17.3
336.26102	0.8
337.03323	4.3
337.07098	1.3
338.03934	0.6
339.04974	16.5
340.05661	2.0
341.06616	1.3
343.04681	0.2
347.05515	5.9
348.05981	0.6
349.06848	0.5
350.04150	2.2
351.04993	2.1
353.06561	2.0
361.06989	0.7
364.05762	0.5
365.06580	6.0
366.07349	5.6
367.07971	1.1
369.05957	1.3
377.06393	0.5
379.07965	1.2
389.06601	0.4
407.15198	0.3
423.14423	1.4
431.14822	0.6
435.14444	0.7
449.15933	17.2
450.16101	1.0
451.13803	3.1
459.14374	1.7
467.16980	3.1
477.15439	100.0
478.15826	4.8
489.15448	0.3
495.16473	22.7
496.16855	0.9
497.30670	0.3
501.15799	0.4
513.17462	1.2
515.16559	0.3
519.16425	0.3
533.17981	0.9
551.19122	6.9
551.27551	0.4
552.19458	0.3
555.17084	0.3
569.20154	16.4
570.21228	1.0
573.17657	0.8
587.21350	3.0
591.18732	1.0
609.19464	1.5
627.20746	2.1
683.22949	0.4
701.24213	1.6
719.25488	0.3
811.40424	12.8
812.41138	1.3
829.41528	52.6
830.41827	5.1
847.42578	22.8
848.42712	2.1
871.42407	0.3
925.42871	0.3
943.44464	1.4
961.45734	6.1
962.45697	0.6
979.47076	1.7
980.46497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	29.4
54.83942	1.2
55.01867	2.7
55.05503	2.8
56.05022	4.4
56.96561	3.5
57.03430	1.6
58.06591	4.0
59.17781	1.2
60.04520	2.0
62.59003	1.2
66.42090	1.2
67.01860	3.6
67.02986	1.4
67.05504	6.4
68.05025	5.9
70.02935	6.6
70.06596	12.6
70.13287	1.2
70.84991	1.9
70.85356	3.9
71.01360	1.7
71.04988	2.2
71.06105	2.3
71.06929	2.0
71.94096	14.2
71.95258	9.2
72.04517	2.6
72.08137	7.6
72.93788	15.9
73.77750	1.3
74.04812	2.9
79.05424	1.3
81.04536	16.8
81.05782	1.8
83.06099	100.0
84.06439	2.3
85.07652	3.5
86.06063	4.5
90.00121	2.8
90.94805	3.3
95.04974	3.1
95.06070	6.3
96.00847	4.0
96.04485	2.2
96.08135	5.5
98.00747	1.8
98.50822	2.3
99.00663	6.1
100.00626	2.1
112.71392	1.5
113.00004	2.1
113.02364	74.4
113.03474	7.4
113.05973	4.1
113.07140	16.3
113.07935	1.9
113.09059	3.2
113.10717	6.7
114.02773	3.9
114.05523	3.1
114.09161	5.5
114.10302	10.3
119.95718	2.8
124.84481	1.3
133.37453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0349
Annotation	Uracil
Peak:m/z	Relative Intensity
53.00303	0.9
53.03958	0.8
54.03466	4.0
55.01869	1.7
55.05510	2.1
56.05036	5.2
56.96564	25.3
57.03428	2.3
57.04536	0.4
58.02963	0.5
58.06589	4.1
59.66915	0.4
60.04516	1.2
64.28210	0.4
67.01867	1.9
67.02986	1.4
67.05512	3.3
68.01379	1.7
68.05026	9.2
69.03420	2.5
69.04557	1.0
69.07072	0.5
70.02950	71.3
70.06585	7.3
70.66449	1.7
71.03273	0.6
71.04983	1.4
71.06099	1.0
71.06955	0.5
71.94097	6.9
71.95253	1.8
72.04514	3.7
72.05645	0.7
72.08160	2.5
72.93785	12.2
73.02895	0.6
73.05298	3.3
74.04824	3.0
74.97601	0.5
77.00895	0.9
79.05499	0.9
81.03436	1.1
81.04535	3.2
81.05812	0.7
82.05325	0.6
83.06100	2.9
83.97645	1.4
84.01547	0.5
84.04499	1.4
84.06889	0.7
85.02897	1.0
85.07674	1.5
85.08437	0.4
86.06062	4.7
87.05583	0.7
89.95154	0.5
90.94822	2.8
95.01329	2.0
95.02442	5.7
95.04984	1.5
95.06085	5.2
96.00851	47.7
96.04491	2.7
96.08126	5.7
97.01206	0.9
97.02858	0.6
97.07690	0.4
98.97578	1.0
100.02484	1.8
106.24704	0.4
108.95899	0.9
112.96729	0.5
113.02377	17.4
113.03500	100.0
113.05427	2.1
113.07123	7.0
113.09052	0.5
113.10754	4.2
113.96368	0.7
113.98702	0.5
114.03844	1.3
114.05552	1.8
114.06689	1.1
114.09158	2.2
114.10315	1.4
116.98624	1.1
118.03535	1.5
119.01926	1.6
131.01921	1.8
131.99742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01890	0.4
54.19200	0.2
56.05047	0.3
56.96559	1.4
67.02994	0.9
68.01388	1.3
68.05021	0.4
69.03427	0.3
69.04164	0.3
69.04555	9.6
70.02958	3.3
70.06591	36.6
71.34399	0.4
84.04491	0.3
84.06433	0.2
94.04055	4.4
95.02452	29.5
96.00877	2.0
96.02780	0.3
97.52078	0.2
112.05087	100.0
112.11292	0.2
113.02326	0.5
113.03497	4.0
113.04701	0.5
113.05424	1.3
113.53712	0.2
114.11043	0.2
121.00330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00485	0.2
51.49225	0.3
54.03459	0.9
56.05021	0.4
56.96568	1.3
67.01869	0.3
67.02986	1.5
68.01395	1.5
68.05024	0.6
69.03438	3.0
69.04553	10.2
69.07088	0.2
70.02958	4.1
70.06593	32.4
70.40907	1.1
71.02489	0.5
71.06927	0.5
71.94094	0.3
81.04536	1.8
83.05641	0.6
83.06097	0.4
84.04534	0.3
84.06407	0.5
84.08144	1.2
92.58149	0.3
94.04053	4.3
95.02456	28.7
95.06082	0.7
96.00870	2.3
96.02766	0.4
96.04472	0.3
96.08099	0.2
112.05091	100.0
112.07607	5.0
112.08728	1.0
112.11230	0.3
113.00027	1.1
113.02372	1.7
113.03495	5.4
113.04721	0.4
113.05416	1.6
113.07124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44250	0.1
84.08141	2.5
85.02903	0.3
86.06075	0.1
86.09698	0.2
91.05476	14.5
95.04950	0.1
97.02884	0.2
98.09681	0.3
98.20802	0.1
107.04955	0.4
110.09673	0.6
112.11239	5.1
113.07110	0.2
119.04938	24.7
120.05274	0.1
127.03900	0.2
129.10202	0.2
129.13876	2.9
131.04904	0.1
137.05946	0.2
146.06052	0.2
147.04402	100.0
148.04752	0.7
155.11769	1.2
162.09108	0.2
203.11790	7.0
204.10191	44.8
205.10518	0.5
218.11743	1.7
229.13330	0.1
257.16586	0.2
258.15045	0.1
273.16013	0.1
275.17529	12.9
304.05627	0.1
349.26022	0.2
357.23004	0.2
365.17322	0.2
366.15469	1.3
375.23651	0.2
421.21207	1.4
437.22806	4.0
477.28668	0.9
478.26984	2.3
490.04648	0.1
495.29706	0.3
503.26514	0.2
511.31647	0.2
520.26514	0.1
521.27777	0.2
583.26648	0.5
623.32288	7.4
624.31451	0.3
639.33606	0.7
640.32239	5.0
641.33234	3.4
657.34845	0.5
665.31830	0.2
683.32782	0.4
785.37524	18.3
786.37128	0.7
787.36847	1.9
802.37488	0.3
803.38544	16.8
804.38702	0.4
829.36987	0.2
947.42798	3.5
948.41321	0.6
949.42322	6.5
950.40814	0.1
965.43854	21.7
966.43359	0.5
1078.38306	0.1
1111.47583	7.2
1112.47607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
78.66129	0.1
84.96027	0.9
85.02848	0.1
95.98859	0.2
96.99695	0.4
98.97566	2.3
98.98182	0.2
102.97052	0.1
107.04889	0.1
108.88450	0.1
109.02842	0.1
112.99181	0.1
115.00699	0.9
116.98615	2.7
131.00117	0.5
133.01715	2.4
134.99661	2.0
137.02701	0.1
140.98628	0.1
143.00093	0.1
146.99699	0.1
147.03255	0.2
149.01147	0.5
151.02765	0.6
153.00677	0.5
153.01880	0.1
154.65100	0.1
155.03781	0.7
158.99631	0.5
161.01163	0.3
165.02135	0.1
167.03752	0.6
169.01704	0.2
170.99585	0.1
171.03197	0.2
173.01288	0.3
173.04880	0.9
177.00699	1.4
183.03314	1.1
184.00505	0.1
185.01154	0.2
185.04855	1.7
187.02812	0.5
189.00699	0.2
189.04370	0.1
191.02219	0.3
191.03865	0.1
191.05815	0.3
195.01775	0.3
197.04933	0.2
199.02824	0.3
201.00677	0.3
201.04324	1.7
203.06009	0.6
205.05309	0.1
205.09003	0.2
207.06847	4.0
209.04802	0.4
211.06369	0.1
213.08003	0.2
215.02406	0.1
215.05972	0.1
219.01804	0.8
219.05406	0.2
223.06573	0.2
223.07951	0.2
223.10046	4.2
225.07964	100.0
226.08321	1.4
227.05878	0.4
227.08415	0.5
231.01904	0.1
237.02777	0.5
239.05904	0.9
239.09628	0.3
241.07480	0.1
241.11110	2.4
242.03271	0.1
243.09032	46.8
244.09341	0.7
245.09454	0.4
248.09619	1.1
249.08051	0.5
251.09502	1.6
253.07501	0.4
253.14267	0.1
257.06937	2.2
257.10718	0.2
261.02740	0.6
261.10101	0.4
264.12613	0.2
265.11093	1.6
266.10623	3.8
267.09006	19.5
268.09409	0.3
269.10675	0.5
271.08478	0.1
275.08093	0.3
279.03799	0.4
279.08960	0.2
279.12646	0.1
281.10580	1.3
283.12137	0.9
285.10074	15.6
286.10446	0.3
290.10519	0.1
293.10675	0.2
295.08487	0.2
303.03976	0.3
303.11130	4.4
307.12219	0.2
308.11652	1.1
309.10046	3.9
313.09619	1.1
321.04904	0.3
321.10068	0.3
323.11609	0.3
325.13278	0.9
327.11124	24.3
328.11270	0.2
339.11023	1.4
341.12698	0.8
345.12180	7.0
350.12839	0.3
351.11023	0.6
363.06055	0.6
367.14255	0.5
368.13736	1.0
369.12180	23.1
370.12555	0.2
381.12073	1.4
383.13696	0.3
387.13275	0.9
399.13324	0.5
411.13251	9.5
412.14340	0.1
429.14310	6.7
441.14233	0.4
453.13760	0.5
471.15375	4.9
489.16437	6.1
513.16467	0.8
515.14532	0.9
531.17487	6.1
533.15649	0.2
557.15002	0.2
575.16443	15.3
576.16595	0.3
823.12598	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	1110.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
83.06098	2.0
83.08615	34.5
84.04048	0.9
84.04507	13.2
85.65634	0.7
86.99042	7.6
88.02219	3.9
88.79912	0.7
89.14299	0.6
99.02625	0.9
99.05569	1.0
101.09642	2.6
105.00068	1.1
115.05809	1.2
115.72121	0.7
116.01670	53.5
129.06583	5.7
129.07407	1.2
130.04976	4.0
139.48587	0.7
141.07338	0.7
142.03214	4.6
144.01137	29.9
145.06110	2.0
153.06610	0.8
159.07054	0.8
159.08389	31.0
162.02196	100.0
163.02235	1.2
170.02698	1.3
176.11055	3.0
205.08870	1.3
244.10051	1.7
245.05751	0.7
262.11069	46.4
263.11609	0.9
279.13730	60.4
280.14337	0.9
286.52139	1.0
333.14780	17.8
383.09232	0.8
405.37146	0.8
408.17975	85.2
409.18317	1.4
583.74298	0.9
597.77057	0.8
839.47229	0.9
920.10120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.58
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03962	0.3
79.05496	5.7
80.46269	0.3
81.03403	1.4
81.06572	0.7
81.07055	14.5
83.01341	0.6
83.04981	7.9
83.08611	2.9
84.08125	0.4
85.02902	53.7
86.09690	0.6
87.04459	1.1
91.03955	3.8
91.05474	6.1
91.06007	0.6
91.21178	0.3
93.07040	12.4
95.00745	0.7
95.01324	8.8
95.04967	1.6
95.08603	32.4
97.02889	9.6
97.06512	0.5
97.10159	1.7
99.00821	1.0
99.04441	1.5
99.08060	0.6
101.02364	0.7
101.06033	0.4
103.03933	1.2
103.05482	0.6
105.07022	14.2
107.04949	0.6
107.08591	22.7
109.02893	2.3
109.06500	1.1
109.10152	27.1
111.04438	6.1
111.05175	0.3
111.08074	4.4
111.11704	0.9
113.02356	1.0
115.03967	0.8
117.07027	1.5
119.08573	19.7
121.10139	19.1
123.08100	0.4
123.11707	9.2
125.09632	0.5
127.03913	8.2
129.05476	13.2
129.07022	0.8
129.10291	0.3
131.03444	0.7
131.08575	4.8
133.10132	17.7
135.11681	13.4
137.09624	0.7
137.13252	2.4
139.03900	0.4
139.11176	1.6
141.01820	24.1
142.07712	0.5
143.08510	2.3
144.09293	0.5
145.04953	11.0
145.10126	8.0
147.06506	6.3
147.11681	13.9
149.13252	10.0
151.03925	0.3
151.11203	1.3
151.14844	0.8
155.08519	0.5
157.10156	2.7
158.10902	0.7
159.02878	4.8
159.11691	10.8
161.09669	0.4
161.13257	14.6
162.86122	0.3
163.06009	11.0
163.11183	0.8
163.14809	8.9
165.07594	1.0
165.12730	1.6
165.16341	0.5
167.07043	0.3
169.10101	0.5
169.93436	0.3
170.10889	0.3
171.11716	2.8
173.13264	7.4
175.06006	0.7
175.14810	11.2
177.03906	0.9
177.12779	0.6
177.16383	10.1
179.14334	0.4
179.17924	1.5
183.11696	1.1
185.13284	2.3
187.14813	8.0
189.16365	11.7
191.14339	0.7
191.17940	5.4
193.15842	1.9
195.17520	1.2
197.13225	0.8
199.06129	0.4
199.14803	3.1
201.16374	12.3
203.17946	17.9
205.15860	4.7
205.19533	2.5
207.17462	2.8
211.14732	0.7
213.03899	0.3
213.16316	3.3
215.17963	6.3
217.16109	2.6
217.19493	13.0
217.21561	0.6
219.17426	3.1
219.21048	0.9
221.18968	2.1
225.16400	0.7
227.17935	4.6
229.15967	0.4
229.19505	8.5
231.17455	1.0
231.21098	1.3
233.13333	0.3
233.19020	2.0
235.20609	0.8
239.17973	0.8
241.19528	3.1
243.17549	0.4
243.18579	0.4
243.21051	5.0
245.19032	2.3
245.22676	0.9
247.20583	1.6
253.19545	1.5
255.08778	1.7
255.21039	3.8
257.22638	4.5
259.08109	0.5
259.20584	1.0
261.22137	1.3
267.21100	1.4
269.22614	3.3
271.20578	1.1
271.24170	1.3
273.09753	1.4
273.22220	0.4
281.22668	0.9
283.24136	1.6
285.06082	0.6
285.22113	0.6
285.25815	0.5
287.07666	1.2
295.24164	1.5
297.25739	1.5
299.23880	0.5
303.07242	0.4
305.08673	2.9
309.11752	3.4
309.25665	0.5
311.27328	0.7
313.25220	0.7
315.26892	0.6
321.08231	1.9
323.09717	0.8
323.27441	0.4
327.26636	0.4
329.28259	0.5
335.27344	0.4
339.09412	0.9
349.28629	0.5
353.28787	0.5
363.30402	0.5
365.19495	0.4
365.31992	5.9
365.35965	0.5
367.29556	0.4
383.32986	1.2
393.35120	0.6
405.35141	21.2
406.35480	0.4
407.36816	0.9
411.36197	0.8
421.34674	0.7
423.36197	100.0
424.36465	1.2
441.37265	17.1
567.40540	0.9
581.38367	7.9
585.41364	1.1
599.39392	8.7
617.40765	0.6
954.10242	0.4
994.51245	0.4
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
53.00314	0.7
53.03952	10.6
53.65996	0.5
55.01871	1.2
55.05512	11.8
56.05033	0.8
65.03947	5.8
67.04279	1.5
67.05508	100.0
68.05040	7.7
68.05836	1.9
69.04568	4.1
69.04884	0.7
69.07071	7.2
69.26700	5.6
69.27106	0.9
78.99573	0.6
79.05501	12.2
79.70370	0.5
80.05013	0.8
80.06281	0.7
81.03424	15.3
81.03912	0.7
81.04523	0.7
81.07061	35.4
82.03735	0.7
82.06586	5.2
82.07368	0.9
83.06104	1.9
87.00470	2.2
91.05500	2.1
92.05006	1.2
93.04539	1.3
94.04188	1.5
94.07825	1.6
95.04968	0.8
107.04993	0.7
107.08591	2.8
109.02898	5.2
109.06526	6.3
109.07649	11.9
109.10158	39.2
110.06042	9.0
110.07168	20.2
110.07944	0.6
110.10504	1.7
112.41956	0.6
113.96414	0.8
118.20780	0.5
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
53.00304	0.6
53.03946	8.5
55.01873	0.7
55.05508	11.1
65.03938	7.2
67.05502	100.0
68.05024	6.0
68.05843	2.0
69.04547	5.0
69.05301	0.5
69.07066	6.1
71.19215	1.0
79.05491	12.9
80.06273	0.9
80.89841	0.5
81.03416	12.0
81.07053	31.0
82.06564	5.2
82.07365	0.8
83.06098	1.0
87.00465	1.8
91.05472	2.5
92.05029	0.9
93.04524	0.5
94.04173	1.5
94.07807	1.6
95.04961	0.6
96.00999	0.7
102.45229	0.5
105.06993	0.8
107.08601	3.2
109.02879	3.6
109.03994	0.6
109.06528	7.6
109.07637	12.3
109.10153	38.5
110.06060	6.0
110.07169	16.3
110.07755	0.4
110.10482	2.1
113.96390	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.03950	19.4
54.03470	1.3
54.04278	0.6
54.58561	0.4
55.01876	2.3
55.05514	11.0
56.05029	1.3
56.96570	1.1
65.03941	7.1
66.04734	0.6
67.02994	0.6
67.04253	2.0
67.05505	100.0
67.10161	0.4
67.93568	1.3
68.05032	14.4
68.05837	2.0
68.95277	1.4
69.04559	8.5
69.07069	6.8
71.59808	1.0
79.05493	15.1
80.05012	1.8
80.06280	1.4
81.03419	29.9
81.04534	1.6
81.07058	37.6
82.03739	0.8
82.06582	10.1
82.07387	1.7
83.06095	3.0
87.00485	3.3
91.05489	3.5
92.04997	2.4
93.04526	1.6
93.33474	0.5
94.04169	2.2
94.07825	1.7
95.04960	0.8
96.00957	0.6
107.04958	1.3
107.08588	3.8
109.02882	8.3
109.04012	1.2
109.06516	14.0
109.07641	21.0
109.10156	41.0
110.06037	16.0
110.07157	34.6
110.07726	0.6
110.07951	1.0
110.10477	1.6
113.96400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42588	0.4
53.03941	8.3
55.01860	0.6
55.05510	11.2
65.03942	7.4
67.02974	0.6
67.05502	100.0
67.59470	0.5
68.05025	4.9
68.05830	1.9
68.95294	0.8
69.04550	2.9
69.06721	0.6
69.07068	6.1
70.76223	1.3
72.22277	0.5
77.11089	0.6
79.05491	13.4
79.68331	0.4
80.05853	0.5
80.06265	1.8
81.03423	8.5
81.04512	0.6
81.07054	35.2
82.06556	2.4
82.07391	0.8
83.06116	0.8
85.86048	0.4
87.00462	1.3
87.26513	0.5
91.05479	2.8
93.04504	0.6
94.04181	1.9
94.07818	1.3
95.04957	0.5
105.07030	0.6
107.04967	0.9
107.08575	3.2
109.02905	2.9
109.05788	0.9
109.06519	14.9
109.07629	6.2
109.10152	42.2
110.06058	3.9
110.07168	13.4
110.10490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02395	0.5
53.03944	15.4
53.47173	0.3
54.03473	0.5
55.01870	6.0
55.05511	5.5
56.05026	0.5
65.03941	7.6
66.04718	1.1
67.02984	0.6
67.04228	1.2
67.05502	44.9
68.04662	0.6
68.05025	8.3
68.95274	0.9
69.04555	2.8
69.07064	2.7
69.53661	0.4
71.59310	0.5
71.59764	0.5
74.79077	0.4
79.05490	41.1
80.05003	1.1
80.05820	0.8
80.06282	0.6
81.03416	15.8
81.04521	0.7
81.07053	45.4
82.06577	5.8
82.07378	1.2
83.06116	0.9
83.42564	0.4
87.00452	0.7
89.69890	0.4
91.05475	13.3
92.04996	1.1
92.05808	0.5
93.04549	0.6
94.04179	6.0
94.07815	0.6
94.47904	0.5
95.04964	1.7
107.04961	3.2
107.08568	1.9
109.02880	4.9
109.06515	100.0
109.07605	14.9
109.10149	19.2
109.10907	0.6
109.32452	0.4
110.06042	4.8
110.07133	10.3
111.04443	0.7
124.95357	0.4
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
51.02392	0.8
53.00309	1.0
53.03948	12.9
54.04285	0.6
55.01884	1.4
55.05507	10.2
55.52185	0.5
65.03944	6.5
67.04279	1.5
67.05503	100.0
68.05022	5.3
68.05836	2.1
68.10304	0.5
68.95273	1.3
69.04550	6.3
69.07065	6.1
70.52497	1.7
79.05489	11.6
80.05026	1.0
80.06259	0.9
81.03419	20.1
81.05371	0.6
81.07055	32.6
82.06580	4.9
82.07372	0.9
83.06111	1.0
84.82049	0.6
86.50623	1.7
87.00452	4.5
91.05492	2.3
92.05018	0.9
92.53867	0.6
93.04543	1.0
94.04192	1.4
94.07819	1.3
96.00945	1.1
98.51276	1.1
107.04935	0.7
107.08593	3.6
109.02875	4.6
109.06523	10.6
109.07652	5.1
109.10154	40.4
110.06042	19.2
110.07166	23.3
110.07948	0.7
110.10495	2.3
111.04413	0.9
113.96407	1.8
119.06049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02373	1.2
53.00281	0.6
53.03944	21.3
54.03453	0.7
55.01870	6.4
55.05510	7.4
56.05039	1.0
65.03942	12.1
66.03428	0.5
66.04708	1.5
67.02989	1.1
67.04244	1.6
67.05501	58.2
67.95245	0.4
68.04660	1.0
68.05023	17.2
68.05827	1.1
68.95276	1.2
69.03419	0.7
69.04554	4.0
69.07071	3.4
70.16899	2.1
79.05489	50.4
80.05003	2.7
80.05821	1.0
81.03413	30.9
81.04518	1.5
81.07051	52.9
82.02936	0.5
82.03706	0.6
82.06114	0.7
82.06574	11.6
82.07339	0.9
83.06092	1.2
87.00431	1.2
91.05476	14.5
92.04987	2.6
92.05762	0.5
93.04505	1.0
93.05762	0.5
94.04180	6.2
94.07821	0.8
95.04965	2.1
107.04955	1.8
107.08575	1.7
109.02876	9.3
109.06508	100.0
109.07640	30.7
109.10147	23.9
109.41389	0.5
110.06030	7.8
110.07144	16.1
111.04432	1.0
113.96377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.00309	0.4
53.03945	8.8
55.01871	6.9
55.05505	5.8
56.05050	0.3
59.77819	0.3
65.03940	6.6
66.04725	1.2
67.05502	46.2
67.93568	0.4
68.05026	3.5
68.05830	0.4
68.95313	0.8
69.03423	0.5
69.04549	2.7
69.07068	2.5
70.52784	1.3
79.05490	46.4
80.05027	0.5
80.05829	0.9
80.06295	0.7
81.03414	8.0
81.04533	0.3
81.07053	49.3
82.06580	1.5
82.07381	0.7
83.06116	0.8
86.50638	0.6
87.00452	1.6
91.05478	12.9
92.05840	0.4
94.04182	4.6
94.07804	0.3
95.04981	2.1
96.00995	0.5
98.20832	0.4
107.04971	1.1
107.08585	1.6
109.02877	2.4
109.06513	100.0
109.07568	4.1
109.10146	18.5
110.06165	2.7
110.07188	8.9
111.04527	0.3
113.96395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03950	17.5
54.98273	0.6
55.01649	0.7
55.01872	7.6
55.05510	5.9
65.03943	7.8
66.04707	1.8
67.04238	1.6
67.05507	47.6
68.05031	7.6
69.04562	4.5
69.07072	4.0
71.18938	1.2
71.19278	1.1
79.05496	48.9
80.04989	1.0
80.05817	1.1
80.06266	0.8
81.03419	19.0
81.04510	0.7
81.07059	53.7
82.06603	5.3
82.07396	1.2
83.06104	1.0
87.00481	0.7
91.05480	13.6
92.05000	0.8
92.05817	0.7
93.04525	0.7
94.04202	5.3
94.07810	0.9
95.04961	1.7
107.04967	1.7
107.08586	1.6
109.02895	5.3
109.06522	100.0
109.07612	15.2
109.10161	19.2
110.06104	7.1
110.07191	15.2
114.49986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.00306	0.8
53.03945	18.5
53.32674	0.5
53.67358	0.5
55.01868	7.6
55.05297	0.5
55.05511	6.1
57.96987	0.5
59.38945	0.5
60.28446	0.5
60.40844	0.5
61.31793	0.5
65.03938	6.7
66.04706	1.4
67.05502	46.3
68.05019	3.7
68.05837	0.9
69.04540	1.6
69.07061	3.6
69.61417	2.3
69.61835	1.3
79.05489	48.2
80.05003	0.7
80.05809	1.0
80.06254	0.5
81.03416	21.6
81.07053	47.9
82.06580	2.3
82.07372	1.2
88.57039	0.5
91.05480	12.4
94.04198	4.2
95.04970	1.9
105.04603	0.6
107.04959	1.4
107.08599	1.5
109.02880	7.2
109.06514	100.0
109.07577	6.4
109.10147	18.4
110.06051	2.7
110.07200	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02374	0.7
53.03945	8.4
53.58571	0.4
55.01874	6.6
55.05509	3.6
65.03940	5.2
66.04709	1.4
67.05503	26.7
68.05018	1.8
69.04552	2.4
69.07042	1.7
70.44355	1.7
79.05492	44.9
80.05842	0.7
81.03413	7.2
81.07055	41.0
82.06578	1.3
82.07385	1.1
83.06121	0.4
85.29075	0.4
87.00450	1.1
91.05478	13.7
92.04983	0.5
93.04483	0.5
94.04192	6.1
95.04968	1.4
98.20786	0.4
107.04974	2.3
107.08595	1.1
109.02875	1.7
109.06515	100.0
109.07709	2.6
109.10149	11.3
110.06168	2.8
110.07198	7.8
111.04437	0.4
111.90266	0.4
113.96386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02371	0.7
51.54898	0.3
53.00298	0.4
53.03946	16.5
54.03460	0.7
54.04279	0.4
55.01872	7.6
55.05514	3.6
56.05027	1.0
56.96563	0.4
65.03596	0.6
65.03939	9.6
66.04712	1.4
67.02986	1.0
67.04255	2.1
67.05505	30.3
67.45312	0.4
67.93578	0.4
68.05030	13.3
68.95283	0.6
69.03429	0.7
69.04551	3.9
69.05802	0.4
69.07059	1.8
70.88753	0.4
70.89111	0.7
76.63893	0.4
79.05494	44.1
80.05012	1.6
80.05823	1.0
80.06272	0.5
81.03418	29.1
81.04526	1.4
81.07055	41.3
82.03751	0.7
82.06579	10.0
82.07354	0.6
83.06100	1.7
87.00457	1.5
91.05477	13.3
92.05013	2.5
93.02124	0.4
93.04542	0.9
94.04185	5.7
95.04980	1.9
96.00974	0.5
107.04941	2.3
107.08581	0.9
109.02875	6.4
109.04039	1.2
109.06517	100.0
109.07649	25.7
109.10151	11.4
109.10915	0.6
110.03654	0.5
110.06040	7.1
110.07138	10.7
111.04450	0.4
113.96401	1.0
127.56011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03946	7.8
54.03470	0.3
55.01870	6.9
55.02140	0.4
55.05510	5.0
65.03937	6.0
66.04716	1.2
67.05502	35.3
68.05027	3.2
68.05836	0.3
68.95280	0.3
69.03407	0.6
69.04547	1.8
69.07067	2.3
69.30932	0.2
69.38350	2.8
75.94267	0.2
79.05489	44.7
80.05001	0.4
80.05808	1.0
80.06248	0.6
81.02948	0.2
81.03413	7.6
81.07053	45.4
82.06587	1.6
82.07401	0.7
83.06096	0.8
87.00455	1.1
91.05478	12.9
94.04182	4.9
94.07822	0.4
95.04972	1.7
107.04949	1.7
107.08571	1.5
109.02875	2.1
109.06512	100.0
109.07574	5.6
109.10148	16.5
110.06043	1.9
110.07118	5.5
111.04448	0.3
113.96458	0.3
116.81111	0.3
119.06053	0.3
128.68410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03703	0.6
53.03945	9.6
55.01623	0.5
55.01875	7.3
55.05509	3.4
65.03942	5.4
66.04713	1.2
67.05505	26.5
68.05028	2.8
68.05818	0.4
69.04546	1.4
69.07055	1.6
71.05093	0.5
71.05437	0.8
76.50313	0.3
79.05492	43.4
80.05830	0.7
80.06290	0.6
81.03423	7.2
81.07056	37.3
82.06578	1.3
82.07392	0.9
83.06117	0.4
87.00494	0.8
91.05484	12.7
92.05833	0.5
94.04182	3.6
94.07820	0.4
95.04963	1.4
105.57797	0.4
107.04964	1.5
107.08598	1.0
109.02881	3.0
109.06517	100.0
109.07698	3.4
109.10154	12.2
110.06039	2.0
110.07207	6.3
111.96891	0.4
113.96381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.00305	0.6
53.03703	0.6
53.03946	11.8
55.01873	6.8
55.05508	6.9
56.05030	0.8
58.17410	0.5
58.78398	0.4
59.18694	0.4
59.18997	0.4
65.03938	8.8
66.04726	2.2
67.04256	0.9
67.05503	53.8
67.93555	0.5
68.05028	10.2
68.05846	0.7
69.03435	0.5
69.04546	1.2
69.07062	3.3
70.66605	0.5
70.66930	0.7
72.22021	0.4
72.93760	0.5
79.05492	51.5
80.05028	0.8
80.05828	1.3
80.06245	0.7
81.03426	8.9
81.07054	51.7
82.06580	6.6
82.07366	0.9
83.06124	0.7
91.05478	13.9
91.74638	0.4
92.04992	1.5
93.91158	0.4
94.04179	4.6
94.07838	0.9
95.04959	2.2
97.76083	0.4
104.41112	0.4
107.04966	1.3
107.08594	2.3
109.02889	2.6
109.06515	100.0
109.07616	18.6
109.10152	25.3
110.06148	2.8
110.07211	4.5
110.10454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02378	0.5
51.48517	0.3
53.03943	3.4
55.01865	0.6
55.05506	0.7
56.96547	0.4
65.03938	14.5
65.86732	0.3
66.03452	0.5
67.04258	1.7
67.05505	5.5
69.52853	2.2
69.68400	0.3
77.03918	0.5
79.05489	46.5
80.05010	5.4
80.05811	1.0
80.48045	0.3
81.03416	0.4
91.05476	100.0
92.05785	1.7
92.06267	4.4
92.38316	0.3
95.04355	0.5
95.04964	8.9
96.04473	0.3
99.81177	0.3
103.05454	0.9
103.52720	0.3
105.04505	1.0
105.07026	25.2
106.06562	1.3
106.07320	0.7
107.04956	15.2
107.06046	2.8
107.08589	28.6
108.04459	0.7
108.05621	1.4
108.08116	1.0
108.08933	0.9
109.06509	13.0
113.47153	0.3
119.06061	4.1
124.05209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02377	3.5
53.03946	70.2
54.04272	1.1
55.05518	2.3
62.64448	0.9
65.03940	2.5
67.05503	35.8
68.05840	1.3
69.04552	1.2
69.07054	2.1
71.61169	1.5
79.05495	6.7
81.03416	100.0
81.07050	13.3
82.03748	2.4
86.50638	1.7
91.05537	1.0
92.04990	1.3
109.02869	18.8
109.06505	5.8
109.07656	3.2
109.10144	13.5
110.06038	6.2
110.07176	2.8
111.49434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
51.02381	1.3
53.03945	9.4
55.01872	1.9
63.45479	0.2
65.03938	1.6
66.18693	0.2
67.04210	0.3
67.05515	0.4
77.03931	1.7
79.05492	15.6
80.04998	1.5
80.05798	0.6
81.03407	1.0
91.05477	11.9
92.06280	0.4
94.18691	0.3
95.04964	19.8
95.16593	0.3
105.04515	3.2
105.07022	3.2
106.06532	0.4
107.04950	100.0
107.08586	3.3
107.28560	0.3
108.04526	0.5
108.05270	3.0
108.33585	0.3
109.06484	1.6
119.06087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02377	1.3
52.26496	0.3
53.03705	0.5
53.03944	8.7
55.01860	1.6
65.03927	1.4
71.60004	0.4
77.03938	1.7
79.05492	16.8
80.05005	1.6
81.03415	1.1
91.05479	11.4
92.06302	0.4
95.04968	20.6
96.05311	0.5
105.04527	3.5
105.07024	3.8
107.04954	100.0
107.08586	3.1
108.04580	0.7
108.05314	2.6
108.08134	0.6
109.06496	2.0
119.06046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03947	8.1
55.01876	1.9
56.96558	0.8
61.37458	0.2
65.03941	1.9
67.05500	0.5
71.37483	0.2
71.37827	0.3
77.03914	1.3
79.05492	16.7
80.05020	3.0
80.05791	0.4
81.03407	1.2
84.01564	0.5
86.64811	0.2
91.05484	11.5
92.05800	0.2
92.06307	0.3
93.02076	0.4
93.05788	0.3
95.04967	19.2
96.04472	0.5
96.05317	0.6
105.04517	3.4
105.07025	3.4
106.06567	0.6
107.04956	100.0
107.08587	3.2
108.04493	0.9
108.05328	2.5
108.08128	0.6
109.06528	1.7
119.06086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01577	0.4
51.02375	1.2
53.03704	0.5
53.03946	8.1
55.01874	1.7
56.96558	0.7
65.03944	1.8
66.92778	0.3
67.05509	0.5
70.10462	1.5
73.27631	0.3
77.03927	1.7
79.01850	0.3
79.05493	16.2
80.05006	3.0
80.05774	0.3
81.03418	1.3
84.01577	0.4
88.97961	0.4
91.05483	10.8
92.05798	0.4
92.06309	0.3
93.05772	0.3
95.04970	20.8
96.04503	0.7
96.05296	0.4
105.04525	3.3
105.07018	2.5
106.06544	0.5
107.04955	100.0
107.08575	2.7
108.04490	1.1
108.05322	3.3
108.08114	0.5
109.06522	1.5
119.06033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02370	1.0
53.03705	0.5
53.03947	9.1
55.01871	1.6
61.39410	0.3
65.03931	0.6
67.04233	0.7
69.27238	2.2
69.27663	1.0
77.03917	2.1
79.05490	14.2
80.05009	2.3
81.03410	1.0
91.05477	6.1
92.05800	0.3
95.04967	20.7
96.05282	0.4
105.04509	3.7
105.07019	1.8
106.06557	0.6
107.04952	100.0
107.08610	2.2
108.04526	0.6
108.05312	2.5
109.06511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02372	1.0
53.03943	9.0
55.01874	1.6
56.96548	0.3
58.29303	0.2
65.03937	2.6
67.04248	0.5
67.05491	0.9
70.20160	0.8
71.62431	0.2
75.92509	0.2
77.03924	1.5
78.04693	0.2
79.05489	18.7
80.05005	2.6
80.05811	0.4
81.03430	1.2
81.95116	0.2
91.05477	15.8
92.05769	0.4
92.06288	0.3
95.04964	21.0
96.05289	0.7
105.04518	3.4
105.07025	4.2
106.06548	0.6
107.04948	100.0
107.08582	3.8
108.04514	0.5
108.05229	3.1
108.08119	0.5
109.06512	2.3
119.06059	1.0
122.40083	0.2
123.96935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02391	1.1
53.03949	9.3
55.01870	1.8
56.96561	0.6
58.62035	0.4
59.71087	0.4
65.03941	7.5
67.04256	1.4
67.05498	2.3
68.33952	0.5
70.33476	2.0
77.03928	1.6
79.05492	29.1
80.05015	6.6
80.05785	0.8
81.03410	1.0
82.12991	0.4
89.03937	0.4
91.05479	58.5
92.03848	0.4
92.05775	1.1
92.06278	1.7
93.02081	0.7
93.05828	0.6
95.04967	21.7
105.04512	4.5
105.07026	16.9
106.06551	0.9
107.04951	100.0
107.06105	4.1
107.08587	17.4
108.04485	1.4
108.05392	2.8
108.08109	1.2
108.08870	0.6
109.06513	9.7
119.06036	2.8
119.10664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.12634	0.2
51.02387	1.4
52.80513	0.2
53.03945	10.0
53.04199	0.5
54.03463	0.2
55.01880	1.1
56.96570	1.6
64.95537	0.3
65.03941	0.6
66.03444	0.3
67.04247	4.2
67.05521	0.3
70.10466	1.1
77.03921	1.7
79.05491	100.0
80.05021	5.7
80.05824	2.8
80.06277	1.3
81.03420	1.2
81.04527	0.4
85.35822	0.2
89.03922	0.5
90.04714	1.4
90.62041	0.2
91.05476	4.1
93.02059	0.3
93.05797	0.3
95.04966	23.6
96.04492	0.4
96.05268	0.4
98.21459	0.3
105.04520	4.1
105.07014	1.2
106.06581	0.3
106.44051	0.3
107.04953	51.0
107.06001	4.2
107.08606	0.7
108.04475	1.0
108.05760	5.2
108.08115	0.9
109.06516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02370	2.6
53.03947	18.6
55.01864	3.1
56.96565	1.3
65.03932	2.8
67.04243	6.8
69.98688	2.3
69.99091	1.5
77.03934	3.6
79.05490	43.4
80.05014	13.9
81.03401	2.6
91.05476	18.3
92.03749	1.2
95.04966	38.6
96.05280	0.8
99.44035	0.8
105.04516	7.1
105.07026	4.1
106.06557	2.0
107.04949	100.0
107.05996	8.1
107.08568	5.8
108.05538	3.0
108.08097	1.0
109.06525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03923	0.4
79.05489	4.0
81.03414	6.0
81.07053	16.4
82.05237	0.2
83.01341	0.3
83.08613	4.0
85.02899	19.7
87.00827	6.0
91.03946	3.4
91.05475	3.7
93.07040	10.5
95.01321	2.7
95.04956	1.2
95.08601	31.1
96.08945	0.4
97.02887	13.9
97.10166	3.0
99.00842	0.4
99.04449	2.5
101.02384	0.4
103.03932	0.5
103.05475	0.4
105.01859	12.7
105.07023	8.0
107.04969	0.3
107.08588	18.1
109.02876	9.4
109.06505	0.3
109.10151	20.3
111.04417	0.3
111.11692	1.0
113.02395	0.6
115.03923	0.5
115.05412	0.3
117.01843	0.5
117.07032	0.9
119.08574	15.2
121.10136	19.6
123.00782	0.3
123.02921	0.3
123.04451	0.2
123.11700	12.4
125.13321	0.4
127.03909	18.3
128.06174	0.2
129.01830	0.7
129.07025	0.4
131.07568	0.4
131.08554	3.3
133.09093	0.4
133.10126	11.8
135.11687	14.9
137.05966	0.5
137.13251	7.7
138.92450	0.2
139.03891	0.3
139.07520	0.5
141.01822	9.3
143.08568	0.9
145.04950	8.7
145.10103	6.2
147.02921	0.3
147.11673	10.3
149.13248	15.9
151.14880	1.1
153.09126	1.7
155.08533	0.3
157.10120	1.0
159.02876	4.2
159.11664	4.0
161.13251	6.6
163.06010	6.1
163.07407	0.5
163.14828	6.4
165.09085	0.3
167.10658	0.9
169.04945	0.2
171.11659	0.9
172.12538	0.3
173.13239	3.4
175.14812	7.7
177.03957	0.6
177.16380	4.6
179.10695	1.2
179.17932	1.8
183.02875	0.3
185.13266	0.9
187.06003	0.3
187.07689	0.2
187.14801	4.3
189.03938	0.6
189.16368	22.3
191.17937	39.2
193.12210	0.5
193.15878	0.3
193.19449	0.6
199.14813	1.2
201.14864	0.2
201.16370	24.0
203.17946	29.7
205.19504	20.9
207.13817	0.4
207.17427	1.0
211.14861	0.4
213.03922	3.2
213.16364	2.7
215.17937	11.1
217.15999	0.7
217.19498	7.3
219.13812	0.5
219.17543	0.5
219.21104	0.5
221.15373	0.9
221.18971	0.8
223.16850	0.4
225.16370	0.4
227.17911	1.6
229.19563	2.0
231.04997	10.5
231.17467	0.6
231.21063	2.3
233.15329	0.6
235.16914	4.6
239.17950	0.6
241.19481	2.6
243.21101	4.0
245.22614	3.2
247.16920	17.2
249.06049	6.8
249.18494	5.8
253.07126	1.4
253.19609	0.3
255.21069	2.2
257.22507	1.5
259.16962	0.9
261.18478	6.8
266.08572	0.4
267.20889	0.3
269.22577	1.3
271.08160	0.3
271.24277	0.4
273.06073	0.4
273.18549	0.6
275.20074	0.7
283.24164	0.7
285.05988	0.4
287.20108	1.0
289.21594	1.6
295.24329	0.3
297.25751	0.4
301.21582	1.1
309.25745	0.5
315.23138	1.7
321.08075	0.6
323.27469	0.4
329.24719	0.6
339.09396	0.4
341.24774	0.3
343.26236	0.6
351.30634	0.5
355.26392	0.7
357.08185	0.5
357.27664	0.3
369.27863	0.3
371.06094	0.4
375.09207	2.1
389.07138	0.7
391.33496	1.0
393.10291	2.1
393.35141	19.5
394.35477	0.4
407.08276	0.7
411.11160	0.6
411.36163	2.8
421.34665	0.8
437.34161	0.9
439.35690	100.0
440.36093	1.8
463.35510	0.5
481.36581	0.8
529.36780	0.5
587.38873	0.7
623.38983	0.4
633.37830	0.3
641.39960	0.4
651.38550	1.0
669.39819	2.0
687.40985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04493	1.1
84.08090	0.5
86.09660	0.5
92.69283	0.2
108.41312	0.2
129.10187	0.3
136.07512	0.2
150.21143	0.2
159.03235	1.2
160.02763	0.3
166.01727	0.5
169.01683	0.4
169.06201	0.3
174.04291	0.3
177.04268	0.7
182.04877	0.4
184.02808	6.7
186.04294	0.7
187.02771	1.5
187.31020	0.2
197.05965	1.4
198.09203	0.3
199.07500	1.0
200.05884	0.5
201.09119	0.6
202.03856	4.8
205.03795	0.4
209.05965	0.2
212.97324	0.3
213.05443	0.3
215.07079	1.3
215.10635	0.3
217.08582	3.7
219.10069	0.6
227.07054	0.7
227.10675	0.3
233.11769	0.2
235.09604	2.9
238.11113	0.9
241.08524	0.6
241.12134	0.3
245.07994	0.7
245.11760	0.3
247.11195	1.8
248.09473	1.5
251.10696	0.4
252.09021	0.5
253.08717	0.3
253.12076	0.3
254.10669	0.6
255.10147	0.7
255.13893	0.3
256.12366	0.5
257.11459	0.2
259.09512	0.3
261.09192	0.4
262.12497	0.3
263.10779	1.5
264.13763	1.3
265.12204	10.9
266.10614	9.3
267.13837	0.9
268.12207	0.8
270.10223	0.3
271.09637	0.6
273.11472	0.3
278.11670	0.2
278.15292	0.2
279.10132	1.9
281.11664	1.7
282.10107	0.6
282.14935	1.7
283.13275	42.9
284.11618	9.9
285.11310	0.7
285.14679	0.7
286.13205	0.5
291.10123	3.0
293.11658	0.7
295.13278	0.4
295.18045	1.3
297.11200	0.8
297.14789	0.4
297.19534	0.8
298.17978	0.5
299.12961	0.4
300.10974	0.4
300.15948	0.7
301.14319	12.5
302.12680	0.9
304.15588	0.3
305.16406	0.3
306.14902	1.6
307.13422	0.5
308.12875	1.9
308.16144	0.4
309.11197	22.2
310.11496	0.4
311.12726	1.0
313.15833	0.4
315.20490	0.3
319.13235	0.6
323.05554	0.4
323.17468	0.9
324.15912	0.5
325.14359	0.5
326.13885	2.5
327.12219	5.8
330.13950	0.5
330.18283	0.3
331.16882	2.6
332.12726	0.8
333.14618	0.4
333.18332	0.3
337.14099	1.2
341.18588	3.5
342.18497	0.3
344.14746	0.3
346.21640	0.9
347.16513	0.5
347.20108	1.4
348.15036	0.9
349.14175	0.3
349.18039	4.2
350.17450	0.4
350.21310	0.3
351.16003	0.6
356.16382	1.4
357.14743	1.1
359.20047	0.9
360.19583	0.8
361.22855	0.3
363.24139	1.3
364.22815	1.6
365.21152	0.5
367.19125	0.3
371.21347	0.7
372.19641	0.8
374.17258	1.6
375.15897	1.9
376.18909	0.6
377.22253	1.6
378.20538	0.4
381.25351	18.0
382.25388	0.5
387.20688	0.4
389.22211	5.7
390.20782	1.0
392.22205	0.9
393.16885	2.6
394.20038	0.5
403.20099	0.3
404.22211	0.3
405.21866	0.5
406.24194	0.3
407.23260	14.5
408.21555	2.5
410.23813	0.4
415.20242	0.7
418.19797	0.5
421.21014	0.3
425.24335	15.3
426.24170	0.6
433.21033	1.1
437.25922	0.8
447.30194	2.4
451.22256	7.3
454.23825	0.3
455.27036	1.5
456.25562	0.3
460.24893	0.5
471.26944	0.3
473.27969	8.1
474.27020	0.5
481.24869	0.5
490.30698	0.4
491.29031	27.4
492.28790	1.0
499.25983	1.6
503.29062	0.4
509.29587	1.2
517.26941	14.9
518.27246	0.5
539.32959	0.4
549.34735	1.1
557.33887	1.7
583.31714	0.3
589.40698	0.6
597.37805	0.5
601.32739	1.0
607.41986	1.1
615.39032	3.6
618.38940	0.3
619.33771	0.5
633.40045	37.7
634.40308	1.6
651.41394	0.3
681.43988	0.9
699.44720	7.8
700.44879	0.6
717.45807	28.2
718.46112	0.6
735.46857	5.8
797.41223	0.7
815.42499	78.6
816.42596	2.6
855.44916	0.4
1013.52997	9.9
1014.53162	0.5
1057.51978	100.0
1058.52246	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	3.0
53.03943	11.2
56.96555	2.7
60.04523	5.2
60.08162	1.1
61.08483	1.8
64.43834	0.9
64.92801	1.8
64.95538	2.3
65.03954	1.1
68.84332	1.0
69.50624	7.5
77.03929	2.9
78.04710	1.1
79.05493	58.7
87.00858	1.4
88.07609	1.0
90.82314	1.1
91.48216	2.2
95.04966	32.2
100.45313	1.3
100.48700	1.4
103.05467	37.6
104.90829	1.4
105.03389	2.4
105.04526	10.1
105.07030	100.0
105.11062	6.6
106.06614	1.9
106.07391	2.9
107.69073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
74.97613	0.8
80.48103	0.5
81.28610	0.5
82.33721	0.5
84.96031	5.5
85.02921	0.6
92.98653	0.6
98.97578	10.3
102.97073	1.0
110.97581	1.3
116.60683	0.5
116.98611	10.0
119.08578	0.7
124.99203	0.9
128.98596	5.3
131.00183	1.5
134.99663	6.4
140.00214	0.7
140.98642	0.5
143.00159	5.8
144.98067	4.5
145.01750	0.8
146.99637	6.9
149.01228	2.0
152.98584	3.3
153.06102	0.5
156.98103	0.8
158.99649	5.0
161.01216	13.5
162.99152	10.3
165.00797	1.0
170.99648	10.7
173.01241	1.2
174.99171	2.7
177.00679	9.4
179.02322	2.6
181.00246	2.6
184.02769	0.9
185.01228	4.3
186.00754	0.8
186.99223	2.2
187.02802	0.9
189.00697	10.5
190.98679	0.8
191.02341	1.3
193.00253	1.2
194.01338	0.8
194.99860	1.1
195.01839	2.0
198.99167	1.0
200.02303	0.8
201.00711	3.5
203.02245	5.2
205.00278	1.6
207.01839	1.8
208.99733	0.8
210.99100	0.7
211.02898	0.6
212.02377	0.8
213.00807	2.5
217.00220	1.1
219.01727	5.4
221.03468	1.2
225.00835	0.6
227.02403	1.2
231.01866	1.4
232.99622	1.2
237.02814	6.5
241.00243	0.7
243.01849	0.8
245.03345	1.5
247.01353	1.1
251.00800	1.1
253.00169	0.6
261.02792	5.6
265.02249	0.9
273.02902	1.0
279.03879	14.2
279.06799	1.0
283.01331	0.9
287.04550	1.3
289.02310	3.8
289.11072	0.6
291.03995	1.9
293.02075	0.6
301.02298	3.2
302.05524	1.7
303.03989	1.2
305.05533	1.0
307.03308	4.7
307.12170	1.0
309.13858	0.8
317.01999	0.7
319.03421	2.0
321.05020	0.8
324.04172	0.7
330.05035	0.9
335.02890	5.0
347.06567	1.2
359.02963	0.9
365.07648	1.1
377.03989	4.6
383.08484	1.4
393.07135	0.8
395.04904	6.0
418.06595	0.7
425.09671	1.9
433.24347	1.1
435.08130	1.0
442.23563	0.6
445.24420	0.8
447.07996	0.7
447.25577	1.0
451.25037	0.8
461.27701	1.8
465.26956	0.6
469.26166	0.6
473.27164	1.1
479.28119	3.1
481.08560	3.3
491.28262	4.5
497.29446	6.7
509.29346	7.2
510.30624	0.8
513.28864	1.2
515.30536	7.2
523.09729	6.3
527.30408	21.5
541.11029	2.0
543.30438	1.0
545.31506	21.6
546.31689	1.1
550.32367	1.9
563.32263	3.5
568.33362	1.3
569.31879	1.5
573.31055	1.2
581.32428	1.6
587.32538	4.0
597.31177	3.1
599.32672	5.0
601.34076	0.9
615.31921	7.4
627.31335	1.2
638.33826	1.3
643.31464	1.2
674.07391	0.6
703.33807	3.9
721.33948	1.0
775.11029	0.6
847.38208	2.0
865.38824	2.1
993.43542	100.0
994.43829	3.5
1011.44696	46.3
1012.44348	1.4
1034.46228	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	2.1
53.03945	9.9
55.01865	1.1
56.96573	0.6
65.03945	3.0
69.55003	3.8
71.46723	0.5
74.78088	0.5
77.03931	2.4
79.05491	54.5
80.05827	1.0
81.03426	1.0
89.53361	0.6
95.04970	23.8
103.05466	33.4
104.05770	1.3
104.90830	0.7
105.03416	0.9
105.04542	4.1
105.07027	100.0
105.11076	1.3
106.06712	0.7
106.07381	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
50.01589	0.5
51.02163	0.4
51.02362	2.2
53.03950	9.4
53.35852	0.4
54.57679	0.4
55.01853	0.6
56.96563	0.4
58.37980	0.4
60.08150	0.5
61.08493	0.8
64.95553	0.7
65.03941	2.0
71.22795	0.6
71.23121	0.6
74.42204	0.4
77.03935	3.1
79.05494	51.1
80.05820	0.9
81.03419	0.9
91.48196	1.5
95.04971	25.8
95.82222	0.4
96.05320	0.5
103.05472	31.4
104.90833	0.9
105.03415	0.8
105.04539	6.0
105.07031	100.0
105.11072	2.2
106.06551	1.4
106.07363	2.8
110.94213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
50.90381	0.9
51.02375	2.5
53.03947	11.8
54.52686	1.1
56.59288	0.9
56.73678	0.9
58.06577	1.5
60.08155	8.5
60.95859	1.1
61.07848	1.7
61.08500	11.8
64.95547	1.5
65.03945	4.8
68.57280	0.9
69.28170	3.9
69.28595	8.3
77.03919	2.6
79.05493	51.3
80.05814	1.9
81.03391	1.2
81.53626	1.0
95.04976	28.3
98.20772	2.4
100.46194	1.0
103.04786	1.9
103.05473	33.7
105.04529	8.5
105.07031	100.0
105.10435	2.9
105.11070	37.0
106.06560	2.9
106.07374	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
51.02377	1.9
52.77026	0.8
53.03943	10.6
53.26878	0.7
55.01851	0.8
60.04501	1.2
65.03937	1.2
69.46948	0.8
69.72041	3.0
69.72465	2.8
70.83260	0.8
77.03932	2.7
79.05490	53.7
80.05829	0.8
84.31824	0.9
95.04964	26.0
103.05465	33.7
105.04525	6.6
105.07027	100.0
105.11079	3.9
106.06596	1.1
106.07358	2.9
112.15145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.6
50.39342	0.5
51.02373	2.2
51.53910	0.5
53.03946	11.4
56.96544	2.5
59.06922	0.7
60.04506	1.2
60.08166	1.4
61.08488	1.9
64.95544	1.7
65.03928	2.9
65.77101	0.6
66.14816	0.6
69.47709	5.2
69.98551	0.7
77.03942	3.6
77.78671	0.5
79.05489	54.5
80.05826	1.2
81.03422	1.3
87.00815	3.2
88.04775	0.7
91.05462	1.0
91.48178	1.9
95.04966	29.3
96.04480	0.6
96.05300	1.0
98.86933	0.5
100.03443	0.6
100.48714	1.7
103.05463	31.9
104.05766	0.7
104.90836	2.8
105.03376	1.9
105.04519	7.8
105.07026	100.0
105.10421	0.7
105.11066	9.9
106.06544	3.7
106.07349	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.9
51.02374	1.9
53.03949	11.5
55.01868	0.8
56.96563	0.6
60.04519	2.2
60.08143	1.3
61.08493	2.2
61.63743	0.5
64.95540	1.1
65.03937	2.3
77.03918	2.7
79.05492	57.6
80.05832	0.8
80.44015	0.5
81.03425	1.2
91.48177	1.0
95.04967	28.8
96.04492	0.8
100.48709	0.8
102.03248	0.5
103.05470	32.0
104.05693	0.7
104.90796	1.3
105.03401	2.2
105.04532	8.6
105.07029	100.0
105.11060	6.1
106.06556	1.8
106.07378	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02376	1.8
51.04102	0.6
51.47763	0.7
53.03706	0.7
53.03945	13.1
55.01875	1.0
60.08150	1.4
60.92921	0.6
60.95842	1.3
61.08485	2.2
64.95541	2.0
65.03941	3.7
70.06583	1.3
70.94749	1.3
77.03921	2.2
79.05493	50.5
80.05806	1.6
81.03424	1.6
87.06516	0.6
91.48206	2.0
95.04966	28.0
96.04482	0.8
96.05293	0.7
100.48721	1.5
103.05466	32.8
103.16214	0.6
104.90840	2.3
105.03405	2.8
105.04532	7.1
105.07030	100.0
105.11073	8.1
106.06537	2.7
106.07365	2.8
121.68007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01574	0.8
51.02378	1.9
53.03709	0.6
53.03949	10.9
55.01853	0.6
57.91166	0.6
58.18128	0.6
60.08154	2.4
61.08502	3.2
65.03943	5.4
69.33990	2.6
69.34415	3.0
77.03917	3.4
79.05492	51.5
80.05811	1.0
81.03394	1.2
91.48164	0.6
91.92825	0.5
95.04969	27.0
96.04514	0.6
96.05264	1.1
103.05467	34.9
105.04546	6.1
105.07028	100.0
105.11073	10.6
106.06647	1.0
106.07317	3.3
115.78858	0.6
118.06506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.8
53.03951	13.5
54.43343	0.8
55.01873	1.6
56.96560	0.7
60.04513	1.3
60.92614	0.9
60.95851	2.0
61.08495	1.0
64.01907	1.2
64.95546	4.2
65.03928	3.4
70.78121	1.8
77.03927	2.6
79.05492	54.3
80.05805	1.6
81.03411	2.0
91.05479	1.0
91.48197	2.7
95.04969	30.2
100.48738	4.0
102.04664	1.1
102.98997	1.1
103.05470	28.9
104.05736	0.9
104.90816	3.9
105.03419	2.0
105.04533	7.5
105.07032	100.0
105.11082	4.7
106.06551	2.6
106.07345	2.1
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	Unknow
Peak:m/z	Relative Intensity
50.01601	0.8
51.02373	2.2
53.03745	0.8
53.03948	9.0
55.01832	0.9
60.08158	1.2
60.45651	0.7
60.95861	1.4
61.08488	1.7
64.95551	1.7
65.03939	4.0
70.73069	1.6
71.87231	0.6
77.03925	2.6
79.05493	49.8
80.05816	1.1
81.03406	1.1
91.48193	2.5
95.04359	1.3
95.04965	26.3
100.48744	1.8
103.05466	31.9
104.90831	2.5
105.03399	1.4
105.04533	6.4
105.07030	100.0
105.11072	3.8
106.06557	2.4
106.07371	3.1
106.08730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.9
53.03947	12.1
53.79107	0.6
62.64120	0.6
65.03934	1.5
71.37177	1.0
77.03922	3.0
79.05492	49.6
80.05814	1.0
81.03420	0.7
95.04358	1.3
95.04969	26.4
96.05322	0.6
103.05468	31.1
105.03381	1.4
105.04528	5.6
105.07030	100.0
106.07368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	1.7
53.03946	10.8
56.99861	0.5
65.03936	3.5
70.95134	1.6
77.03934	2.9
79.05492	52.6
80.05813	0.6
95.04353	1.2
95.04966	24.2
103.05470	32.7
104.05762	0.7
105.04541	4.3
105.07028	100.0
105.52096	0.5
106.06663	0.7
106.07385	2.1
108.83226	0.5
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
57.48203	0.1
58.06599	9.1
59.07381	3.1
59.32533	0.1
60.08163	77.2
61.08506	0.6
62.92994	0.4
69.37243	0.3
69.37650	1.0
75.54840	0.2
86.09683	0.2
86.10392	0.1
87.04477	0.3
98.21494	0.3
104.10743	100.0
105.10429	0.3
105.11062	1.4
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
50.92411	0.2
53.90908	0.2
58.06597	6.7
59.07377	2.3
60.08161	60.6
60.95858	0.3
61.08496	0.5
62.51873	0.2
62.92977	0.2
68.70217	0.2
69.56004	0.2
69.56413	1.2
75.58685	0.2
79.05487	0.2
81.01519	0.2
86.09703	0.2
87.04459	0.4
104.10738	100.0
105.04482	0.2
105.07018	0.5
105.10438	0.2
105.11066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	5.5
59.07380	1.8
60.08162	52.1
61.08475	0.3
64.01910	0.4
65.73120	0.1
82.07246	0.2
82.74493	0.1
86.09705	0.2
89.26041	0.2
104.10741	100.0
105.04498	0.2
105.11081	1.2
107.94667	0.2
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
50.14773	0.2
58.06596	5.8
58.06870	0.4
59.07381	1.7
60.08162	54.0
61.08491	0.4
69.03438	1.0
69.53344	1.0
69.53770	0.8
86.06068	0.4
86.09705	0.2
87.04455	2.7
98.21494	0.3
104.10739	100.0
105.11082	1.2
115.83712	0.2
118.43725	0.2
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
58.06598	5.2
59.07379	1.5
60.08162	49.4
61.08491	0.4
69.26131	0.1
69.66819	0.3
69.67247	0.8
70.40048	0.1
77.86412	0.1
83.81862	0.1
85.05533	0.2
86.09714	0.1
88.07664	0.2
95.04929	0.2
98.21483	0.2
104.10741	100.0
105.07013	0.2
105.11069	1.5
107.71175	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	4.6
59.07376	1.5
60.08164	47.7
61.08509	0.3
62.92977	0.9
70.72583	0.7
70.72912	0.3
79.12547	0.3
83.00858	0.3
104.10744	100.0
105.11082	1.2
106.78065	0.3
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
50.80921	0.2
58.06598	5.6
59.07376	1.7
60.08162	53.4
61.08495	0.5
62.92987	1.0
70.86750	0.5
84.00499	0.1
86.09019	0.1
86.25438	0.1
89.00269	0.1
92.49750	0.1
104.10741	100.0
105.04513	0.2
105.10438	0.3
105.11060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.1
56.04779	1.6
56.05035	16.8
56.96568	11.6
57.03432	1.3
57.04550	3.3
58.06595	1.2
58.96166	6.2
58.99874	1.1
59.06125	37.2
59.06570	1.5
59.96171	2.2
59.99948	2.5
60.04526	11.9
60.95142	1.2
60.95858	11.3
60.99618	1.2
65.20143	1.1
68.02619	1.3
70.81961	2.6
70.82312	1.8
72.08153	2.3
73.07698	1.0
74.06077	4.3
78.00983	2.0
79.01880	2.0
83.01537	4.1
83.06104	4.0
84.01197	2.8
84.01679	1.1
84.04504	3.2
84.06886	1.6
88.02412	1.6
97.02873	2.5
100.02462	4.3
100.97185	1.6
100.98002	1.4
101.00890	13.2
101.02557	35.1
101.07136	8.2
102.02230	13.3
118.03542	1.8
118.98232	2.8
119.01918	100.0
119.03614	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.3
51.02377	4.5
51.18637	0.9
53.03702	1.3
53.03947	23.5
55.01868	1.4
56.05033	2.9
56.96551	0.9
57.05359	1.2
58.06590	3.0
59.06129	3.9
60.04517	1.2
60.08167	5.9
60.95837	1.1
62.06095	5.3
62.92981	2.8
65.64778	0.8
69.03434	1.2
70.52242	2.4
73.07669	1.1
75.05591	1.6
77.03931	4.8
77.74657	0.8
81.03411	2.2
85.07658	1.4
86.06063	4.4
87.04465	2.6
95.04967	59.7
96.05293	1.3
102.04687	5.6
103.05466	100.0
103.08713	9.6
104.05793	2.4
104.10748	11.0
105.04507	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	9.8
59.07382	2.8
60.08163	75.4
61.08495	0.5
64.01905	0.5
72.54611	0.2
86.09704	0.4
88.07657	0.3
95.04977	0.2
98.09253	0.1
98.20711	0.4
100.68256	0.1
104.10742	100.0
105.04519	0.3
105.07029	0.3
105.11073	1.3
111.20425	0.2
124.81923	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82431	0.1
58.06297	0.3
58.06594	7.2
59.07380	2.1
60.08160	62.6
61.08487	0.5
62.92976	0.4
86.09707	0.3
104.10738	100.0
105.10432	0.2
105.11044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	9.5
71.95269	1.2
74.06054	1.3
74.97621	2.2
81.03429	1.7
84.04499	1.5
84.08123	1.7
84.95522	1.5
84.96032	26.7
85.02872	0.9
91.05466	3.4
93.07046	1.6
95.04980	1.3
97.02908	2.4
97.96784	1.9
98.97579	26.2
102.97062	5.5
105.07028	5.6
107.04949	29.1
110.07165	2.0
110.97565	2.3
115.05468	1.2
115.97858	2.5
116.98615	28.9
119.04964	1.1
120.08103	10.2
120.98129	1.6
122.23674	0.8
124.99155	1.4
127.03928	3.1
128.06219	13.2
128.98611	8.5
129.06995	7.7
129.10240	0.9
129.13789	0.8
131.00185	0.9
131.08569	3.9
134.99660	14.2
136.07576	2.9
136.92159	0.9
140.00134	1.6
141.07007	1.8
142.07774	6.9
143.00160	5.6
143.08554	41.7
144.09302	0.9
144.98036	1.2
145.04956	1.1
145.06467	1.5
145.10126	1.1
146.99658	9.7
149.01166	1.3
152.98648	1.4
153.00702	1.2
153.06979	0.9
153.10266	1.0
154.93208	1.6
155.00211	1.0
155.08557	3.5
156.09407	1.3
157.10114	15.8
158.99666	6.1
159.08125	0.9
159.11708	8.0
161.01227	12.0
161.13255	1.7
162.99130	2.7
163.00682	3.8
165.00723	1.5
168.09349	4.1
169.01619	1.0
170.10968	1.9
170.99651	7.2
172.94293	7.6
173.01123	2.0
174.99202	1.1
175.87929	0.9
177.00711	9.0
179.02287	2.8
181.01724	25.2
181.10123	1.3
182.99600	1.2
183.03313	3.1
183.11693	7.4
184.02896	0.9
185.13257	30.7
189.00676	8.7
190.95314	13.8
191.00439	1.0
193.01749	4.3
195.01759	1.4
196.94368	1.0
197.01218	2.2
199.02797	7.8
201.00648	7.2
201.04349	4.2
203.02208	2.3
204.03325	1.9
205.01607	1.2
208.96397	1.2
209.01253	1.5
211.02785	8.1
211.11209	1.3
211.99889	1.3
213.00732	1.4
213.97005	1.1
214.95337	17.3
219.01768	13.1
223.02760	11.6
226.95328	2.8
227.02252	19.3
229.44565	1.2
231.09027	1.2
232.96376	9.0
233.01083	1.5
237.02759	11.5
237.96872	1.1
239.07164	0.8
240.96954	2.0
241.03838	9.3
244.96448	3.7
245.03317	40.0
245.08406	4.5
250.01581	1.0
250.04002	1.2
250.95345	1.1
251.02260	20.5
256.96420	5.8
257.08466	6.2
259.09915	4.4
261.08167	1.1
262.97607	1.2
263.04440	1.3
263.09512	7.9
265.03799	4.2
268.04953	1.4
268.96381	1.5
269.03308	25.3
269.10663	2.8
273.07993	2.4
274.03888	2.3
274.97455	21.9
275.00174	1.0
275.09488	12.3
277.04022	1.7
277.11163	4.8
277.28738	1.0
280.96332	2.0
281.03439	1.1
281.10611	1.0
283.01498	1.8
283.04932	5.0
285.08005	3.7
287.04306	5.9
287.11951	1.4
288.96982	2.3
289.03766	2.3
289.07294	1.7
291.08975	5.0
292.04944	1.7
292.98422	3.3
293.03510	6.5
293.10535	5.8
295.04858	3.3
297.09732	1.2
297.99139	2.3
298.11160	1.0
298.97446	8.4
301.11325	1.5
303.09024	13.5
305.03281	3.2
306.97946	10.7
307.04953	1.4
309.10172	4.2
311.04361	2.9
316.98547	15.7
321.10095	14.9
323.04410	1.5
326.10474	1.2
330.98053	4.5
331.15738	1.7
334.99615	8.9
335.04379	5.9
339.11243	6.0
344.11914	1.1
345.10098	1.5
348.99020	3.3
349.17007	2.6
353.05380	13.9
363.11102	1.1
365.03766	2.1
367.17847	13.4
371.06500	2.7
372.98843	3.0
373.06357	1.8
376.04572	1.3
383.04767	4.6
385.18970	3.6
401.05841	1.5
406.06277	1.2
408.20712	1.0
409.04471	1.4
409.13077	2.6
415.00275	1.2
425.12714	1.5
427.14478	4.3
427.19644	0.8
433.01144	10.6
437.12341	1.0
447.13141	1.2
451.02185	100.0
457.06256	1.0
465.14630	2.5
469.03186	18.7
473.14655	2.7
474.03290	1.2
492.04871	5.3
533.45764	1.0
581.16687	2.3
599.17889	19.3
617.19049	9.9
632.46558	1.0
635.14337	5.7
640.20575	1.7
651.14124	33.6
663.26416	1.5
679.13666	89.5
697.14728	58.4
715.15485	1.0
720.16229	10.7
767.27795	8.0
909.39008	2.0
927.40503	34.4
END